| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.8 | Very low | 54.3 | Low | 236 Ų | 236 | 151.9 Ų | 151.9 | 100% | 1.163 | 75% | 0.75 | S | S | * | * | 0 | 113.4 | 0 | -74.7 | -166.4 | 148.4 | 0 | 0 | 108.3 | |||||
| 2 | V | 47 | Very low | 55.3 | Low | 123 Ų | 123 | 150 Ų | 150 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 124.5 | -176.3 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L4 | V2-L4 PolarHBondContact O-N 2.67Š| ||
| 3 | F | 43.1 | Very low | 56.2 | Low | 174 Ų | 174 | 155.5 Ų | 155.5 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | -64.3 | 103.4 | 176.4 | -75.6 | -94.4 | 0 | 0 | 0 | 109.5 | ||||
| 4 | L | 54.2 | Low | 57.5 | Low | 162 Ų | 162 | 147.4 Ų | 147.4 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | trans | -98.2 | 6.5 | -175.3 | -76.8 | 157.1 | 0 | 0 | 0 | 113.9 | V2 | V2-L4 PolarHBondContact O-N 2.67Š| ||
| 5 | T | 56.1 | Low | 59.3 | Low | 83 Ų | 83 | 143.3 Ų | 143.3 | 51% | 0.509 | 72% | 0.718 | S | S | . | * | trans | -92.4 | 125.7 | -179.9 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | S7 C8 | T5-S7 PolarHBondContact O-N 3.19Å; T5-C8 PolarHBondContact O-N 3.11Å | ||
| 6 | L | 57.6 | Low | 61 | Low | 148 Ų | 148 | 140.8 Ų | 140.8 | 78% | 0.775 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -50.1 | -25.3 | 178.7 | -122.2 | 127.4 | 0 | 0 | 0 | 114.3 | C8 W9 | L6-C8 VanDerWaalsContact C-N 3.32Å; L6-C8 PolarHBondContact O-N 3.18Å; L6-W9 WeakPolarHBondContact O-CB 3.41Å; L6-W9 PolarHBondContact O-N 2.87Å; L6-W9 VanDerWaalsContact O-N 3.16Å |
| 7 | S | 56.4 | Low | 62.6 | Low | 77 Ų | 77 | 142.6 Ų | 142.6 | 54% | 0.538 | 70% | 0.704 | S | S | . | * | G | 310 helix | trans | -64.7 | -28.2 | 176.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | T5 W9 | T5-S7 PolarHBondContact O-N 3.19Å; S7-W9 VanDerWaalsContact C-N 3.33Å |
| 8 | C | 54.3 | Low | 64.2 | Low | 81 Ų | 81 | 142.4 Ų | 142.4 | 55% | 0.547 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -83.9 | -8.8 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 113.1 | T5 L6 | T5-C8 PolarHBondContact O-N 3.11Å; L6-C8 VanDerWaalsContact C-N 3.32Å; L6-C8 PolarHBondContact O-N 3.18Å |
| 9 | W | 55.8 | Low | 65.8 | Low | 233 Ų | 233 | 143.5 Ų | 143.5 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -18.7 | 175.6 | -131.8 | 55.5 | 0 | 0 | 0 | 112.3 | L6 S7 R11 | L6-W9 WeakPolarHBondContact O-CB 3.41Å; L6-W9 PolarHBondContact O-N 2.87Å; L6-W9 VanDerWaalsContact O-N 3.16Å; S7-W9 VanDerWaalsContact C-N 3.33Å; W9-R11 PolarHBondContact O-N 3.13Å |
| 10 | I | 63.9 | Low | 67.1 | Low | 103 Ų | 103 | 143.1 Ų | 143.1 | 53% | 0.528 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -80.9 | 110.8 | 173 | -56.9 | 171.5 | 0 | 0 | 0 | 107.8 | N12 | I10-N12 VanDerWaalsContact CG2-OD1 3.25Å; I10-N12 WeakPolarHBondContact CG2-OD1 3.34Å; I10-N12 PolarHBondContact O-N 3.5Å |
| 11 | R | 65.3 | Low | 68.5 | Low | 251 Ų | 251 | 138.1 Ų | 138.1 | 95% | 0.947 | 67% | 0.665 | S | S | * | * | trans | -68 | 77.2 | 177.9 | -142.6 | -177.4 | -165.3 | 171.7 | 5.1 | 110.4 | W9 | W9-R11 PolarHBondContact O-N 3.13Š| ||
| 12 | N | 65.9 | Low | 71 | Confident | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | trans | -77.7 | 133.8 | 179.2 | -78 | -23.7 | 0 | 0 | 0 | 110.7 | I10 G14 | I10-N12 VanDerWaalsContact CG2-OD1 3.25Å; I10-N12 WeakPolarHBondContact CG2-OD1 3.34Å; I10-N12 PolarHBondContact O-N 3.5Å; N12-G14 PolarHBondContact O-N 3.28Å | ||
| 13 | R | 67.1 | Low | 73.4 | Confident | 221 Ų | 221 | 130.2 Ų | 130.2 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | trans | -71.5 | 114.1 | 175.1 | -83 | -174.9 | -106.5 | -178.8 | -7.4 | 109.7 | ||||
| 14 | G | 75.3 | Confident | 75.9 | Confident | 43 Ų | 43 | 123.4 Ų | 123.4 | 44% | 0.443 | 59% | 0.589 | S | S | . | * | trans | -79.1 | -179.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N12 D16 | N12-G14 PolarHBondContact O-N 3.28Å; G14-D16 PolarHBondContact O-N 3.25Å; G14-D16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | P | 83.2 | Confident | 78 | Confident | 85 Ų | 85 | 116.9 Ų | 116.9 | 55% | 0.552 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 4.7 | -178.7 | 31.9 | -36 | 0 | 0 | 0 | 114.2 | R17 Y18 W19 | P15-R17 PolarHBondContact O-N 3.06Å; P15-Y18 WeakPolarHBondContact O-CB 3.32Å; P15-Y18 PolarHBondContact O-N 3.34Å; P15-W19 PolarHBondContact O-N 3.48Å |
| 16 | D | 86.4 | Confident | 79.9 | Confident | 103 Ų | 103 | 115.5 Ų | 115.5 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -51.9 | -33.6 | -175.4 | -53.8 | -22.9 | 0 | 0 | 0 | 113.7 | G14 K20 | G14-D16 PolarHBondContact O-N 3.25Å; G14-D16 VanDerWaalsContact O-N 3.11Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.48Å; D16-K20 PolarHBondContact O-N 2.91Å; D16-K20 VanDerWaalsContact O-N 3.14Å |
| 17 | R | 88.9 | Confident | 81.8 | Confident | 173 Ų | 173 | 111.7 Ų | 111.7 | 65% | 0.653 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | 177.1 | -177.4 | -178 | -67.9 | 171.5 | -5.3 | 111.8 | P15 K20 V21 | P15-R17 PolarHBondContact O-N 3.06Å; R17-K20 PolarHBondContact O-N 2.87Å; R17-V21 VanDerWaalsContact O-CG2 3.3Å; R17-V21 WeakPolarHBondContact O-CG2 3.49Å; R17-V21 PolarHBondContact O-N 3.42Å |
| 18 | Y | 91.4 | Very high | 83.8 | Confident | 138 Ų | 138 | 108 Ų | 108 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | -179.8 | 173.4 | -94.4 | 0 | 0 | 0 | 110.5 | P15 K20 V21 Q22 | P15-Y18 WeakPolarHBondContact O-CB 3.32Å; P15-Y18 PolarHBondContact O-N 3.34Å; Y18-K20 PolarHBondContact O-N 3.44Å; Y18-V21 PolarHBondContact O-N 3Å; Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 PolarHBondContact O-N 3.25Å |
| 19 | W | 94.2 | Very high | 85.8 | Confident | 164 Ų | 164 | 112.2 Ų | 112.2 | 62% | 0.621 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 179.1 | -61.4 | 113.7 | 0 | 0 | 0 | 112.6 | P15 V21 Q22 E23 | P15-W19 PolarHBondContact O-N 3.48Å; W19-V21 PolarHBondContact O-N 3.32Å; W19-Q22 PolarHBondContact O-N 2.94Å; W19-E23 PolarHBondContact O-N 3.45Å |
| 20 | K | 93.2 | Very high | 87.8 | Confident | 135 Ų | 135 | 108.4 Ų | 108.4 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -40.8 | 174.3 | -72.5 | 174.4 | -178.8 | 179.1 | 0 | 112.8 | D16 R17 Y18 V24 | D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.48Å; D16-K20 PolarHBondContact O-N 2.91Å; D16-K20 VanDerWaalsContact O-N 3.14Å; R17-K20 PolarHBondContact O-N 2.87Å; Y18-K20 PolarHBondContact O-N 3.44Å; K20-V24 PolarHBondContact O-N 3.44Å |
| 21 | V | 95.8 | Very high | 89.4 | Confident | 39 Ų | 39 | 105.4 Ų | 105.4 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | R17 Y18 W19 E23 V24 L25 Y39 | R17-V21 VanDerWaalsContact O-CG2 3.3Å; R17-V21 WeakPolarHBondContact O-CG2 3.49Å; R17-V21 PolarHBondContact O-N 3.42Å; Y18-V21 PolarHBondContact O-N 3Å; W19-V21 PolarHBondContact O-N 3.32Å; V21-E23 VanDerWaalsContact C-N 3.33Å; V21-E23 PolarHBondContact O-N 2.95Å; V21-V24 PolarHBondContact O-N 3.07Å; V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 3.36Å; V21-Y39 HydrophobicContact CB-CD2 4.03Å; V21-Y39 HydrophobicContact CB-CE2 4.36Å; V21-Y39 HydrophobicContact CG1-CD2 3.83Å; V21-Y39 HydrophobicContact CG1-CG 4.22Å; V21-Y39 HydrophobicContact CG2-CD1 4.48Å; V21-Y39 HydrophobicContact CG2-CD2 3.74Å; V21-Y39 HydrophobicContact CG2-CE2 3.93Å; V21-Y39 HydrophobicContact CG2-CG 4.02Å |
| 22 | Q | 96.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 104.8 Ų | 104.8 | 29% | 0.29 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -35.1 | -179.3 | -171.4 | 66.7 | -11.7 | 0 | 0 | 112.5 | Y18 W19 L25 S26 | Y18-Q22 WeakPolarHBondContact O-CB 3.4Å; Y18-Q22 PolarHBondContact O-N 3.25Å; W19-Q22 PolarHBondContact O-N 2.94Å; Q22-L25 PolarHBondContact O-N 3.03Å; Q22-S26 WeakPolarHBondContact O-CB 3.38Å; Q22-S26 PolarHBondContact O-N 2.63Å |
| 23 | E | 96.6 | Very high | 92.4 | Very high | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 172.9 | -172.5 | -172.3 | 177.4 | 0 | 0 | 112.2 | W19 V21 S26 N27 | W19-E23 PolarHBondContact O-N 3.45Å; V21-E23 VanDerWaalsContact C-N 3.33Å; V21-E23 PolarHBondContact O-N 2.95Å; E23-S26 PolarHBondContact O-OG 2.87Å; E23-N27 PolarHBondContact O-ND2 3.06Å |
| 24 | V | 96.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 99.8 Ų | 99.8 | 19% | 0.188 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 111 | K20 V21 S26 N27 A28 Y39 A42 V43 V46 | K20-V24 PolarHBondContact O-N 3.44Å; V21-V24 PolarHBondContact O-N 3.07Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.09Å; V24-N27 PolarHBondContact O-N 3.26Å; V24-A28 PolarHBondContact O-N 3.2Å; V24-Y39 HydrophobicContact CB-CD2 4.25Å; V24-Y39 HydrophobicContact CB-CE2 3.92Å; V24-Y39 HydrophobicContact CG1-CD2 4.4Å; V24-Y39 HydrophobicContact CG1-CE2 4.26Å; V24-Y39 HydrophobicContact CG2-CE2 3.87Å; V24-A42 HydrophobicContact CG1-CB 4.25Å; V24-V43 HydrophobicContact CG1-CG2 3.84Å; V24-V46 HydrophobicContact CG1-CG2 4.34Å |
| 25 | L | 97.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 103.1 Ų | 103.1 | 13% | 0.131 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.8 | -30.3 | 179.8 | -70.5 | 178.1 | 0 | 0 | 0 | 112.6 | V21 Q22 N27 A28 R29 A42 | V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.17Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 3.36Å; Q22-L25 PolarHBondContact O-N 3.03Å; L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.12Å; L25-A28 CarbonylContact O-C 3.53Å; L25-A28 PolarHBondContact O-N 2.89Å; L25-R29 WeakPolarHBondContact O-CG 3.4Å; L25-R29 PolarHBondContact O-N 3.26Å; L25-A42 HydrophobicContact CD2-CB 3.78Å |
| 26 | S | 97.6 | Very high | 95.5 | Very high | 54 Ų | 54 | 101 Ų | 101 | 38% | 0.378 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 175.2 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | Q22 E23 V24 A28 R29 | Q22-S26 WeakPolarHBondContact O-CB 3.38Å; Q22-S26 PolarHBondContact O-N 2.63Å; E23-S26 PolarHBondContact O-OG 2.87Å; V24-S26 VanDerWaalsContact C-N 3.33Å; V24-S26 PolarHBondContact O-N 3.09Å; S26-A28 VanDerWaalsContact C-N 3.3Å; S26-A28 PolarHBondContact O-N 2.86Å; S26-R29 WeakPolarHBondContact O-CG 3.42Å |
| 27 | N | 97.1 | Very high | 95.9 | Very high | 68 Ų | 68 | 105.7 Ų | 105.7 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.2 | -24.8 | 175.6 | -68.8 | -61.5 | 0 | 0 | 0 | 113.3 | E23 V24 L25 H30 V46 F50 | E23-N27 PolarHBondContact O-ND2 3.06Å; V24-N27 PolarHBondContact O-N 3.26Å; L25-N27 VanDerWaalsContact C-N 3.27Å; L25-N27 PolarHBondContact O-N 3.12Å; N27-H30 PolarHBondContact O-CE1 2.95Å; N27-V46 HydrophobicContact CB-CG1 4.12Å; N27-V46 HydrophobicContact CB-CG2 4.15Å; N27-F50 HydrophobicContact CB-CZ 4.37Å |
| 28 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 100 Ų | 100 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -96 | -3.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V24 L25 S26 H30 F31 N36 A42 V46 | V24-A28 PolarHBondContact O-N 3.2Å; L25-A28 CarbonylContact O-C 3.53Å; L25-A28 PolarHBondContact O-N 2.89Å; S26-A28 VanDerWaalsContact C-N 3.3Å; S26-A28 PolarHBondContact O-N 2.86Å; A28-H30 PolarHBondContact O-N 2.9Å; A28-H30 VanDerWaalsContact O-N 3.11Å; A28-F31 HydrophobicContact CB-CD2 3.69Å; A28-F31 HydrophobicContact CB-CE2 3.99Å; A28-F31 HydrophobicContact CB-CG 4.47Å; A28-F31 VanDerWaalsContact O-CB 3.28Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.44Å; A28-N36 WeakPolarHBondContact O-CA 3.4Å; A28-N36 WeakPolarHBondContact O-CB 3.49Å; A28-A42 HydrophobicContact CB-CB 3.95Å; A28-V46 HydrophobicContact CB-CG2 3.84Å |
| 29 | R | 96.5 | Very high | 96.5 | Very high | 169 Ų | 169 | 98.3 Ų | 98.3 | 64% | 0.638 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -39.5 | -171.4 | -73.1 | -175.5 | 174.3 | -169.6 | -1 | 114.1 | L25 S26 F31 | L25-R29 WeakPolarHBondContact O-CG 3.4Å; L25-R29 PolarHBondContact O-N 3.26Å; S26-R29 WeakPolarHBondContact O-CG 3.42Å; R29-F31 VanDerWaalsContact C-N 3.3Å; R29-F31 PolarHBondContact O-N 3.28Å |
| 30 | H | 97.2 | Very high | 96.6 | Very high | 153 Ų | 153 | 94.4 Ų | 94.4 | 71% | 0.708 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.7 | -177.8 | 64.4 | -83.5 | 0 | 0 | 0 | 113.6 | N27 A28 | N27-H30 PolarHBondContact O-CE1 2.95Å; A28-H30 PolarHBondContact O-N 2.9Å; A28-H30 VanDerWaalsContact O-N 3.11Å |
| 31 | F | 97.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 91.2 Ų | 91.2 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | trans | -72.6 | 148.5 | 177.6 | -67.2 | -17 | 0 | 0 | 0 | 111.9 | A28 R29 K35 N36 A45 V46 A49 | A28-F31 HydrophobicContact CB-CD2 3.69Å; A28-F31 HydrophobicContact CB-CE2 3.99Å; A28-F31 HydrophobicContact CB-CG 4.47Å; A28-F31 VanDerWaalsContact O-CB 3.28Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.44Å; R29-F31 VanDerWaalsContact C-N 3.3Å; R29-F31 PolarHBondContact O-N 3.28Å; F31-K35 HydrophobicContact CB-CB 4.04Å; F31-K35 HydrophobicContact CD2-CB 4.29Å; F31-N36 HydrophobicContact CB-CB 4.27Å; F31-N36 VanDerWaalsContact O-CB 3.32Å; F31-N36 WeakPolarHBondContact O-CB 3.45Å; F31-N36 PolarHBondContact O-ND2 3.39Å; F31-A45 HydrophobicContact CD2-CB 3.84Å; F31-A45 HydrophobicContact CE2-CB 3.55Å; F31-A45 HydrophobicContact CZ-CB 4.44Å; F31-V46 HydrophobicContact CE2-CG2 3.74Å; F31-V46 HydrophobicContact CZ-CG2 4.34Å; F31-A49 HydrophobicContact CZ-CB 4.06Å | ||
| 32 | R | 97.4 | Very high | 97 | Very high | 237 Ų | 237 | 89.3 Ų | 89.3 | 89% | 0.894 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -82.9 | 145.3 | 178.6 | -170.1 | 176.9 | 174.5 | -164.7 | -1.4 | 111.7 | ||
| 33 | G | 96.8 | Very high | 97 | Very high | 51 Ų | 51 | 88.2 Ų | 88.2 | 53% | 0.526 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | 68.8 | -153.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K35 N36 | G33-K35 PolarHBondContact O-N 3.45Å; G33-N36 VanDerWaalsContact O-CG 3.3Å; G33-N36 PolarHBondContact O-OD1 2.96Å |
| 34 | R | 97.3 | Very high | 97.1 | Very high | 195 Ų | 195 | 90.9 Ų | 90.9 | 74% | 0.736 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -65.7 | -9.9 | -174.1 | -61.9 | -173.9 | -172.8 | 176.1 | 2.7 | 115.1 | N36 R37 C38 L41 | R34-N36 PolarHBondContact O-N 3.42Å; R34-R37 PolarHBondContact O-N 3.26Å; R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.92Å; R34-L41 HydrophobicContact CB-CD1 3.8Å |
| 35 | K | 97.1 | Very high | 97.2 | Very high | 112 Ų | 112 | 90.4 Ų | 90.4 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -69.6 | -18.3 | -178 | -63.7 | 175.5 | -176.1 | 174.1 | 0 | 113.4 | F31 G33 L41 A42 A45 | F31-K35 HydrophobicContact CB-CB 4.04Å; F31-K35 HydrophobicContact CD2-CB 4.29Å; G33-K35 PolarHBondContact O-N 3.45Å; K35-L41 HydrophobicContact CG-CB 4.3Å; K35-A42 WeakPolarHBondContact O-CA 3.37Å; K35-A42 VanDerWaalsContact O-CB 3.29Å; K35-A42 WeakPolarHBondContact O-CB 3.44Å; K35-A45 HydrophobicContact CB-CB 4.47Å; K35-A45 HydrophobicContact CD-CB 4.25Å |
| 36 | N | 96.1 | Very high | 97.2 | Very high | 42 Ų | 42 | 89.7 Ų | 89.7 | 23% | 0.225 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -90.2 | -10.8 | 176.1 | 64.4 | 3.9 | 0 | 0 | 0 | 114.3 | A28 F31 G33 R34 | A28-N36 WeakPolarHBondContact O-CA 3.4Å; A28-N36 WeakPolarHBondContact O-CB 3.49Å; F31-N36 HydrophobicContact CB-CB 4.27Å; F31-N36 VanDerWaalsContact O-CB 3.32Å; F31-N36 WeakPolarHBondContact O-CB 3.45Å; F31-N36 PolarHBondContact O-ND2 3.39Å; G33-N36 VanDerWaalsContact O-CG 3.3Å; G33-N36 PolarHBondContact O-OD1 2.96Å; R34-N36 PolarHBondContact O-N 3.42Å |
| 37 | R | 94.9 | Very high | 97.2 | Very high | 200 Ų | 200 | 95.5 Ų | 95.5 | 76% | 0.755 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | -43 | -175.1 | -72.7 | 166.6 | -164.5 | -157.1 | 4.7 | 112.7 | R34 Y39 | R34-R37 PolarHBondContact O-N 3.26Å; R37-Y39 PolarHBondContact O-N 3.21Å |
| 38 | C | 97.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 99.9 Ų | 99.9 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | trans | -86 | 114.6 | -176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | R34 S40 L41 A42 | R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.92Å; C38-S40 PolarHBondContact O-N 3.28Å; C38-L41 HydrophobicContact CB-CB 4.36Å; C38-L41 HydrophobicContact CB-CD1 4.16Å; C38-L41 HydrophobicContact CB-CG 4.28Å; C38-L41 PolarHBondContact O-N 3.16Å; C38-L41 VanDerWaalsContact O-N 3.09Å; C38-A42 WeakPolarHBondContact O-CB 3.02Å; C38-A42 PolarHBondContact O-N 3.04Å | ||
| 39 | Y | 96.6 | Very high | 97.3 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -51.1 | -48.8 | -177.9 | 177.7 | -105.5 | 0 | 0 | 0 | 113.7 | V21 V24 R37 L41 A42 V43 | V21-Y39 HydrophobicContact CB-CD2 4.03Å; V21-Y39 HydrophobicContact CB-CE2 4.36Å; V21-Y39 HydrophobicContact CG1-CD2 3.83Å; V21-Y39 HydrophobicContact CG1-CG 4.22Å; V21-Y39 HydrophobicContact CG2-CD1 4.48Å; V21-Y39 HydrophobicContact CG2-CD2 3.74Å; V21-Y39 HydrophobicContact CG2-CE2 3.93Å; V21-Y39 HydrophobicContact CG2-CG 4.02Å; V24-Y39 HydrophobicContact CB-CD2 4.25Å; V24-Y39 HydrophobicContact CB-CE2 3.92Å; V24-Y39 HydrophobicContact CG1-CD2 4.4Å; V24-Y39 HydrophobicContact CG1-CE2 4.26Å; V24-Y39 HydrophobicContact CG2-CE2 3.87Å; R37-Y39 PolarHBondContact O-N 3.21Å; Y39-L41 PolarHBondContact O-N 3.03Å; Y39-A42 PolarHBondContact O-N 2.96Å; Y39-A42 VanDerWaalsContact O-N 3.1Å; Y39-V43 HydrophobicContact CD1-CG2 4.17Å; Y39-V43 HydrophobicContact CD2-CG2 3.88Å; Y39-V43 HydrophobicContact CE1-CG2 3.79Å; Y39-V43 HydrophobicContact CE2-CG2 3.47Å; Y39-V43 VanDerWaalsContact CE2-CG2 3.47Å; Y39-V43 HydrophobicContact CG-CG2 4.22Å; Y39-V43 VanDerWaalsContact CZ-CG2 3.42Å; Y39-V43 WeakPolarHBondContact O-CG2 3.28Å; Y39-V43 PolarHBondContact O-N 3.32Å |
| 40 | S | 97 | Very high | 97.3 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.2 | -33.1 | -178.1 | -51.5 | 0 | 0 | 0 | 0 | 113.4 | C38 | C38-S40 PolarHBondContact O-N 3.28Å |
| 41 | L | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 94.9 Ų | 94.9 | 36% | 0.356 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -82.9 | -39.4 | 176 | -61.8 | 179.8 | 0 | 0 | 0 | 111.4 | R34 K35 C38 Y39 R44 A45 | R34-L41 HydrophobicContact CB-CD1 3.8Å; K35-L41 HydrophobicContact CG-CB 4.3Å; C38-L41 HydrophobicContact CB-CB 4.36Å; C38-L41 HydrophobicContact CB-CD1 4.16Å; C38-L41 HydrophobicContact CB-CG 4.28Å; C38-L41 PolarHBondContact O-N 3.16Å; C38-L41 VanDerWaalsContact O-N 3.09Å; Y39-L41 PolarHBondContact O-N 3.03Å; L41-R44 PolarHBondContact O-N 3.39Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.47Å; L41-A45 VanDerWaalsContact O-N 3.09Å |
| 42 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 98.8 Ų | 98.8 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V24 L25 A28 K35 C38 Y39 R44 A45 V46 | V24-A42 HydrophobicContact CG1-CB 4.25Å; L25-A42 HydrophobicContact CD2-CB 3.78Å; A28-A42 HydrophobicContact CB-CB 3.95Å; K35-A42 WeakPolarHBondContact O-CA 3.37Å; K35-A42 VanDerWaalsContact O-CB 3.29Å; K35-A42 WeakPolarHBondContact O-CB 3.44Å; C38-A42 WeakPolarHBondContact O-CB 3.02Å; C38-A42 PolarHBondContact O-N 3.04Å; Y39-A42 PolarHBondContact O-N 2.96Å; Y39-A42 VanDerWaalsContact O-N 3.1Å; A42-R44 VanDerWaalsContact C-N 3.3Å; A42-R44 PolarHBondContact O-N 3.14Å; A42-A45 PolarHBondContact O-N 2.91Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.29Å; A42-V46 WeakPolarHBondContact O-CG2 3.42Å; A42-V46 PolarHBondContact O-N 3.27Å |
| 43 | V | 97.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 89.6 Ų | 89.6 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.1 | -45.9 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | V24 Y39 R47 | V24-V43 HydrophobicContact CG1-CG2 3.84Å; Y39-V43 HydrophobicContact CD1-CG2 4.17Å; Y39-V43 HydrophobicContact CD2-CG2 3.88Å; Y39-V43 HydrophobicContact CE1-CG2 3.79Å; Y39-V43 HydrophobicContact CE2-CG2 3.47Å; Y39-V43 VanDerWaalsContact CE2-CG2 3.47Å; Y39-V43 HydrophobicContact CG-CG2 4.22Å; Y39-V43 VanDerWaalsContact CZ-CG2 3.42Å; Y39-V43 WeakPolarHBondContact O-CG2 3.28Å; Y39-V43 PolarHBondContact O-N 3.32Å; V43-R47 VanDerWaalsContact O-CB 3.27Å; V43-R47 WeakPolarHBondContact O-CB 3.47Å; V43-R47 PolarHBondContact O-N 3.24Å |
| 44 | R | 97.8 | Very high | 97.5 | Very high | 186 Ų | 186 | 91.1 Ų | 91.1 | 70% | 0.702 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 179.1 | -63.7 | 177 | -172.7 | 175.5 | 2.1 | 111.3 | L41 A42 R48 | L41-R44 PolarHBondContact O-N 3.39Å; A42-R44 VanDerWaalsContact C-N 3.3Å; A42-R44 PolarHBondContact O-N 3.14Å; R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 PolarHBondContact O-N 2.9Å |
| 45 | A | 97.9 | Very high | 97.5 | Very high | 21 Ų | 21 | 87.9 Ų | 87.9 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69 | -47.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F31 K35 L41 A42 R48 A49 | F31-A45 HydrophobicContact CD2-CB 3.84Å; F31-A45 HydrophobicContact CE2-CB 3.55Å; F31-A45 HydrophobicContact CZ-CB 4.44Å; K35-A45 HydrophobicContact CB-CB 4.47Å; K35-A45 HydrophobicContact CD-CB 4.25Å; L41-A45 WeakPolarHBondContact O-CB 3.48Å; L41-A45 PolarHBondContact O-N 3.47Å; L41-A45 VanDerWaalsContact O-N 3.09Å; A42-A45 PolarHBondContact O-N 2.91Å; A42-A45 VanDerWaalsContact O-N 3.1Å; A45-R48 PolarHBondContact O-N 2.77Å; A45-A49 WeakPolarHBondContact O-CB 3.38Å; A45-A49 PolarHBondContact O-N 3.21Å |
| 46 | V | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 84.9 Ų | 84.9 | 7% | 0.067 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 178.6 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | V24 N27 A28 F31 A42 R48 A49 F50 | V24-V46 HydrophobicContact CG1-CG2 4.34Å; N27-V46 HydrophobicContact CB-CG1 4.12Å; N27-V46 HydrophobicContact CB-CG2 4.15Å; A28-V46 HydrophobicContact CB-CG2 3.84Å; F31-V46 HydrophobicContact CE2-CG2 3.74Å; F31-V46 HydrophobicContact CZ-CG2 4.34Å; A42-V46 WeakPolarHBondContact O-CB 3.47Å; A42-V46 VanDerWaalsContact O-CG2 3.29Å; A42-V46 WeakPolarHBondContact O-CG2 3.42Å; A42-V46 PolarHBondContact O-N 3.27Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.29Å; V46-A49 WeakPolarHBondContact O-CB 3.46Å; V46-A49 PolarHBondContact O-N 3.22Å; V46-A49 VanDerWaalsContact O-N 3.12Å; V46-F50 HydrophobicContact CG1-CD2 3.89Å; V46-F50 HydrophobicContact CG1-CE1 4.1Å; V46-F50 HydrophobicContact CG1-CE2 3.37Å; V46-F50 HydrophobicContact CG1-CG 4.47Å; V46-F50 HydrophobicContact CG1-CZ 3.49Å; V46-F50 VanDerWaalsContact CG1-CZ 3.49Å; V46-F50 WeakPolarHBondContact O-CG 3.42Å; V46-F50 PolarHBondContact O-N 3.21Å |
| 47 | R | 97.8 | Very high | 97.6 | Very high | 176 Ų | 176 | 90.2 Ų | 90.2 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.5 | -45.3 | 176.5 | -173.9 | -179.5 | -68.8 | -178.1 | -2.9 | 111.5 | V43 F50 V51 | V43-R47 VanDerWaalsContact O-CB 3.27Å; V43-R47 WeakPolarHBondContact O-CB 3.47Å; V43-R47 PolarHBondContact O-N 3.24Å; R47-F50 PolarHBondContact O-N 3.27Å; R47-V51 WeakPolarHBondContact O-CG2 3.29Å; R47-V51 PolarHBondContact O-N 3Å; R47-V51 VanDerWaalsContact O-N 3.13Å |
| 48 | R | 98 | Very high | 97.7 | Very high | 159 Ų | 159 | 88.1 Ų | 88.1 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 176.8 | -174.3 | 172.6 | -178.6 | -171.6 | -7.9 | 111.7 | R44 A45 V46 V51 Y52 | R44-R48 WeakPolarHBondContact O-CB 3.43Å; R44-R48 PolarHBondContact O-N 2.9Å; A45-R48 PolarHBondContact O-N 2.77Å; V46-R48 VanDerWaalsContact C-N 3.31Å; V46-R48 PolarHBondContact O-N 3.29Å; R48-V51 PolarHBondContact O-N 3.16Å; R48-Y52 HydrophobicContact CG-CD2 3.78Å; R48-Y52 HydrophobicContact CG-CE2 3.45Å; R48-Y52 VanDerWaalsContact CG-CE2 3.45Å; R48-Y52 PolarHBondContact NE-OH 3.05Å; R48-Y52 PolarHBondContact NH2-OH 3.06Å; R48-Y52 VanDerWaalsContact O-CD2 3.27Å; R48-Y52 WeakPolarHBondContact O-CD2 3.32Å; R48-Y52 PolarHBondContact O-N 3.48Å |
| 49 | A | 97.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 89.2 Ų | 89.2 | 30% | 0.298 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F31 A45 V46 Y52 A53 | F31-A49 HydrophobicContact CZ-CB 4.06Å; A45-A49 WeakPolarHBondContact O-CB 3.38Å; A45-A49 PolarHBondContact O-N 3.21Å; V46-A49 WeakPolarHBondContact O-CB 3.46Å; V46-A49 PolarHBondContact O-N 3.22Å; V46-A49 VanDerWaalsContact O-N 3.12Å; A49-Y52 PolarHBondContact O-N 2.94Å; A49-A53 WeakPolarHBondContact O-CB 3.37Å; A49-A53 PolarHBondContact O-N 3.26Å |
| 50 | F | 98.2 | Very high | 97.8 | Very high | 112 Ų | 112 | 91.5 Ų | 91.5 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.2 | -67.1 | -19.3 | 0 | 0 | 0 | 113.1 | N27 V46 R47 Y52 A53 T54 | N27-F50 HydrophobicContact CB-CZ 4.37Å; V46-F50 HydrophobicContact CG1-CD2 3.89Å; V46-F50 HydrophobicContact CG1-CE1 4.1Å; V46-F50 HydrophobicContact CG1-CE2 3.37Å; V46-F50 HydrophobicContact CG1-CG 4.47Å; V46-F50 HydrophobicContact CG1-CZ 3.49Å; V46-F50 VanDerWaalsContact CG1-CZ 3.49Å; V46-F50 WeakPolarHBondContact O-CG 3.42Å; V46-F50 PolarHBondContact O-N 3.21Å; R47-F50 PolarHBondContact O-N 3.27Å; F50-Y52 VanDerWaalsContact C-N 3.34Å; F50-A53 PolarHBondContact O-N 3.39Å; F50-T54 PolarHBondContact O-N 3.05Å; F50-T54 VanDerWaalsContact O-N 3.11Å; F50-T54 PolarHBondContact O-OG1 3.49Å |
| 51 | V | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -45.7 | 173.1 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | R47 R48 T54 K55 | R47-V51 WeakPolarHBondContact O-CG2 3.29Å; R47-V51 PolarHBondContact O-N 3Å; R47-V51 VanDerWaalsContact O-N 3.13Å; R48-V51 PolarHBondContact O-N 3.16Å; V51-T54 PolarHBondContact O-N 3.28Å; V51-K55 HydrophobicContact CG1-CD 4.06Å; V51-K55 WeakPolarHBondContact O-CG 3.41Å; V51-K55 PolarHBondContact O-N 3.06Å |
| 52 | Y | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 102.3 Ų | 102.3 | 48% | 0.475 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177 | -76.8 | -51.3 | 0 | 0 | 0 | 112.8 | R48 A49 F50 T54 K55 A56 | R48-Y52 HydrophobicContact CG-CD2 3.78Å; R48-Y52 HydrophobicContact CG-CE2 3.45Å; R48-Y52 VanDerWaalsContact CG-CE2 3.45Å; R48-Y52 PolarHBondContact NE-OH 3.05Å; R48-Y52 PolarHBondContact NH2-OH 3.06Å; R48-Y52 VanDerWaalsContact O-CD2 3.27Å; R48-Y52 WeakPolarHBondContact O-CD2 3.32Å; R48-Y52 PolarHBondContact O-N 3.48Å; A49-Y52 PolarHBondContact O-N 2.94Å; F50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-T54 VanDerWaalsContact C-N 3.28Å; Y52-T54 PolarHBondContact O-N 3.26Å; Y52-K55 PolarHBondContact O-N 3.42Å; Y52-A56 WeakPolarHBondContact O-CB 3.41Å; Y52-A56 PolarHBondContact O-N 3.02Å |
| 53 | A | 97.9 | Very high | 97.8 | Very high | 45 Ų | 45 | 107.1 Ų | 107.1 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A49 F50 A56 R57 | A49-A53 WeakPolarHBondContact O-CB 3.37Å; A49-A53 PolarHBondContact O-N 3.26Å; F50-A53 PolarHBondContact O-N 3.39Å; A53-A56 PolarHBondContact O-N 3.32Å; A53-R57 WeakPolarHBondContact O-CG 3.38Å; A53-R57 PolarHBondContact O-N 3.21Å |
| 54 | T | 97.7 | Very high | 97.8 | Very high | 83 Ų | 83 | 108.5 Ų | 108.5 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | F50 V51 Y52 R57 | F50-T54 PolarHBondContact O-N 3.05Å; F50-T54 VanDerWaalsContact O-N 3.11Å; F50-T54 PolarHBondContact O-OG1 3.49Å; V51-T54 PolarHBondContact O-N 3.28Å; Y52-T54 VanDerWaalsContact C-N 3.28Å; Y52-T54 PolarHBondContact O-N 3.26Å; T54-R57 PolarHBondContact OG1-NH1 3.3Å; T54-R57 VanDerWaalsContact OG1-NH1 3.16Å |
| 55 | K | 98.1 | Very high | 97.8 | Very high | 127 Ų | 127 | 105.9 Ų | 105.9 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 175.2 | -70.8 | 179.7 | 179.4 | -175.8 | 0 | 111.9 | V51 Y52 R57 K58 I59 | V51-K55 HydrophobicContact CG1-CD 4.06Å; V51-K55 WeakPolarHBondContact O-CG 3.41Å; V51-K55 PolarHBondContact O-N 3.06Å; Y52-K55 PolarHBondContact O-N 3.42Å; K55-R57 VanDerWaalsContact C-N 3.28Å; K55-R57 PolarHBondContact O-N 3.31Å; K55-K58 PolarHBondContact O-N 2.96Å; K55-K58 VanDerWaalsContact O-N 3.15Å; K55-I59 PolarHBondContact O-N 3.21Å |
| 56 | A | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 109.3 Ų | 109.3 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -28.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y52 A53 K58 I59 K60 | Y52-A56 WeakPolarHBondContact O-CB 3.41Å; Y52-A56 PolarHBondContact O-N 3.02Å; A53-A56 PolarHBondContact O-N 3.32Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 2.75Å; A56-I59 PolarHBondContact O-N 3.05Å; A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 3.03Å |
| 57 | R | 96.8 | Very high | 97.8 | Very high | 154 Ų | 154 | 112.1 Ų | 112.1 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.9 | -39.5 | 173.2 | -68.2 | -179.1 | -169.2 | 112 | 2.1 | 112.3 | A53 T54 K55 | A53-R57 WeakPolarHBondContact O-CG 3.38Å; A53-R57 PolarHBondContact O-N 3.21Å; T54-R57 PolarHBondContact OG1-NH1 3.3Å; T54-R57 VanDerWaalsContact OG1-NH1 3.16Å; K55-R57 VanDerWaalsContact C-N 3.28Å; K55-R57 PolarHBondContact O-N 3.31Å |
| 58 | K | 96.6 | Very high | 97.8 | Very high | 156 Ų | 156 | 106.5 Ų | 106.5 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.9 | -42.5 | 176.7 | -63.9 | -174.8 | -179.7 | -176.9 | 0 | 111.2 | K55 A56 R61 R62 | K55-K58 PolarHBondContact O-N 2.96Å; K55-K58 VanDerWaalsContact O-N 3.15Å; A56-K58 VanDerWaalsContact C-N 3.26Å; A56-K58 PolarHBondContact O-N 2.75Å; K58-R61 PolarHBondContact O-N 3.07Å; K58-R62 PolarHBondContact O-N 3.07Å |
| 59 | I | 97.8 | Very high | 97.8 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 179.6 | -62.3 | 170.6 | 0 | 0 | 0 | 111.2 | K55 A56 R61 R62 N63 | K55-I59 PolarHBondContact O-N 3.21Å; A56-I59 PolarHBondContact O-N 3.05Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.17Å; I59-R62 WeakPolarHBondContact O-CA 3.33Å; I59-R62 WeakPolarHBondContact O-CB 3.31Å; I59-R62 PolarHBondContact O-N 3.22Å; I59-N63 PolarHBondContact O-N 3.37Å; I59-N63 PolarHBondContact O-OD1 3.45Å |
| 60 | K | 97.9 | Very high | 97.8 | Very high | 149 Ų | 149 | 103.1 Ų | 103.1 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53.4 | -44.4 | 177.1 | -177 | 176.8 | 179.1 | 178.4 | 0 | 111.4 | A56 R62 N63 M64 | A56-K60 WeakPolarHBondContact O-CB 3.24Å; A56-K60 PolarHBondContact O-N 3.03Å; K60-R62 VanDerWaalsContact C-N 3.33Å; K60-R62 PolarHBondContact O-N 3.19Å; K60-N63 PolarHBondContact O-N 3.17Å; K60-M64 HydrophobicContact CG-CG 4.36Å; K60-M64 WeakPolarHBondContact O-CB 3.35Å; K60-M64 VanDerWaalsContact O-CG 3.22Å; K60-M64 WeakPolarHBondContact O-CG 3.42Å; K60-M64 PolarHBondContact O-N 2.97Å |
| 61 | R | 96.5 | Very high | 97.8 | Very high | 199 Ų | 199 | 102.9 Ų | 102.9 | 75% | 0.751 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 177.6 | -61.5 | -178.8 | -164.4 | -173 | 1.7 | 112.2 | K58 I59 R65 | K58-R61 PolarHBondContact O-N 3.07Å; I59-R61 VanDerWaalsContact C-N 3.27Å; I59-R61 PolarHBondContact O-N 3.17Å; R61-R65 PolarHBondContact O-N 3.07Å; R61-R65 VanDerWaalsContact O-N 3.17Å |
| 62 | R | 97.6 | Very high | 97.8 | Very high | 177 Ų | 177 | 99.6 Ų | 99.6 | 67% | 0.668 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.4 | -48.6 | 176.3 | -64.3 | 179.7 | -178.6 | 168.3 | -2.4 | 111.4 | K58 I59 K60 M64 R65 T66 | K58-R62 PolarHBondContact O-N 3.07Å; I59-R62 WeakPolarHBondContact O-CA 3.33Å; I59-R62 WeakPolarHBondContact O-CB 3.31Å; I59-R62 PolarHBondContact O-N 3.22Å; K60-R62 VanDerWaalsContact C-N 3.33Å; K60-R62 PolarHBondContact O-N 3.19Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.23Å; R62-R65 WeakPolarHBondContact O-CB 3.48Å; R62-R65 PolarHBondContact O-N 3.03Å; R62-R65 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-N 3.41Å; R62-T66 PolarHBondContact O-OG1 3.48Å; R62-T66 VanDerWaalsContact O-OG1 3.13Å |
| 63 | N | 98.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 94.4 Ų | 94.4 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 180 | -67.7 | 2.4 | 0 | 0 | 0 | 111.8 | I59 K60 R65 T66 L67 | I59-N63 PolarHBondContact O-N 3.37Å; I59-N63 PolarHBondContact O-OD1 3.45Å; K60-N63 PolarHBondContact O-N 3.17Å; N63-R65 VanDerWaalsContact C-N 3.34Å; N63-R65 PolarHBondContact O-N 2.81Å; N63-T66 PolarHBondContact O-N 3.34Å; N63-L67 WeakPolarHBondContact O-CB 3.32Å; N63-L67 PolarHBondContact O-N 3.44Å |
| 64 | M | 98.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 94.4 Ų | 94.4 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.8 | -70.6 | -57.1 | -61.2 | 0 | 0 | 111.7 | K60 R62 L67 W68 | K60-M64 HydrophobicContact CG-CG 4.36Å; K60-M64 WeakPolarHBondContact O-CB 3.35Å; K60-M64 VanDerWaalsContact O-CG 3.22Å; K60-M64 WeakPolarHBondContact O-CG 3.42Å; K60-M64 PolarHBondContact O-N 2.97Å; R62-M64 VanDerWaalsContact C-N 3.34Å; R62-M64 PolarHBondContact O-N 3.23Å; M64-L67 WeakPolarHBondContact O-CB 3.5Å; M64-L67 PolarHBondContact O-N 3.2Å; M64-W68 HydrophobicContact CB-CH2 4.17Å; M64-W68 HydrophobicContact CB-CZ2 4Å; M64-W68 HydrophobicContact CE-CZ2 3.84Å; M64-W68 PolarHBondContact O-N 3.12Å |
| 65 | R | 97.4 | Very high | 97.7 | Very high | 131 Ų | 131 | 90.9 Ų | 90.9 | 49% | 0.494 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.3 | -178.9 | 175.6 | 176.5 | 165.8 | -2.3 | 111.6 | R61 R62 N63 L67 W68 I69 | R61-R65 PolarHBondContact O-N 3.07Å; R61-R65 VanDerWaalsContact O-N 3.17Å; R62-R65 WeakPolarHBondContact O-CB 3.48Å; R62-R65 PolarHBondContact O-N 3.03Å; R62-R65 VanDerWaalsContact O-N 3.12Å; N63-R65 VanDerWaalsContact C-N 3.34Å; N63-R65 PolarHBondContact O-N 2.81Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 2.67Å; R65-W68 PolarHBondContact O-N 3.31Å; R65-I69 HydrophobicContact CG-CD1 3.96Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.41Å; R65-I69 PolarHBondContact O-N 2.99Å |
| 66 | T | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 84.8 Ų | 84.8 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | R62 N63 I69 S70 | R62-T66 PolarHBondContact O-N 3.41Å; R62-T66 PolarHBondContact O-OG1 3.48Å; R62-T66 VanDerWaalsContact O-OG1 3.13Å; N63-T66 PolarHBondContact O-N 3.34Å; T66-I69 PolarHBondContact O-N 3.07Å; T66-S70 WeakPolarHBondContact O-CB 3.29Å; T66-S70 PolarHBondContact O-N 3.3Å |
| 67 | L | 98.1 | Very high | 97.6 | Very high | 70 Ų | 70 | 90.8 Ų | 90.8 | 37% | 0.366 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.3 | 178.2 | 62.9 | 0 | 0 | 0 | 111.7 | N63 M64 R65 I69 S70 R71 | N63-L67 WeakPolarHBondContact O-CB 3.32Å; N63-L67 PolarHBondContact O-N 3.44Å; M64-L67 WeakPolarHBondContact O-CB 3.5Å; M64-L67 PolarHBondContact O-N 3.2Å; R65-L67 VanDerWaalsContact C-N 3.32Å; R65-L67 PolarHBondContact O-N 2.67Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.37Å; L67-S70 PolarHBondContact O-N 3.04Å; L67-R71 HydrophobicContact CD1-CG 4.46Å; L67-R71 WeakPolarHBondContact O-CG 3.18Å; L67-R71 PolarHBondContact O-N 2.99Å |
| 68 | W | 98.2 | Very high | 97.6 | Very high | 57 Ų | 57 | 90.8 Ų | 90.8 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.5 | -59.7 | -33.5 | 0 | 0 | 0 | 111.8 | M64 R65 S70 R71 I72 R99 R100 | M64-W68 HydrophobicContact CB-CH2 4.17Å; M64-W68 HydrophobicContact CB-CZ2 4Å; M64-W68 HydrophobicContact CE-CZ2 3.84Å; M64-W68 PolarHBondContact O-N 3.12Å; R65-W68 PolarHBondContact O-N 3.31Å; W68-S70 VanDerWaalsContact C-N 3.34Å; W68-S70 PolarHBondContact O-N 3.01Å; W68-R71 PolarHBondContact O-N 3.07Å; W68-I72 WeakPolarHBondContact O-CD1 3.15Å; W68-I72 WeakPolarHBondContact O-CG1 3.34Å; W68-I72 PolarHBondContact O-N 2.92Å; W68-R99 HydrophobicContact CB-CB 4.26Å; W68-R99 HydrophobicContact CE3-CB 4.38Å; W68-R100 HydrophobicContact CD2-CB 4.06Å; W68-R100 HydrophobicContact CE3-CB 4.08Å; W68-R100 HydrophobicContact CH2-CB 3.81Å; W68-R100 HydrophobicContact CH2-CG 4.15Å; W68-R100 HydrophobicContact CZ2-CB 3.75Å; W68-R100 HydrophobicContact CZ2-CG 3.69Å; W68-R100 HydrophobicContact CZ3-CB 3.96Å |
| 69 | I | 97.8 | Very high | 97.5 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.3 | -68.4 | 169.4 | 0 | 0 | 0 | 110.9 | R65 T66 L67 R71 I72 A73 Y83 | R65-I69 HydrophobicContact CG-CD1 3.96Å; R65-I69 VanDerWaalsContact O-CG1 3.26Å; R65-I69 WeakPolarHBondContact O-CG1 3.41Å; R65-I69 PolarHBondContact O-N 2.99Å; T66-I69 PolarHBondContact O-N 3.07Å; L67-I69 VanDerWaalsContact C-N 3.33Å; L67-I69 PolarHBondContact O-N 3.37Å; I69-R71 PolarHBondContact O-N 3.04Å; I69-I72 PolarHBondContact O-N 3.07Å; I69-A73 VanDerWaalsContact O-CB 3.24Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 3.17Å; I69-Y83 HydrophobicContact CB-CE2 4.48Å; I69-Y83 HydrophobicContact CG1-CE2 4.23Å; I69-Y83 HydrophobicContact CG2-CD1 4.14Å; I69-Y83 HydrophobicContact CG2-CD2 4.4Å; I69-Y83 HydrophobicContact CG2-CE1 3.89Å; I69-Y83 HydrophobicContact CG2-CE2 4.15Å; I69-Y83 HydrophobicContact CG2-CG 4.4Å |
| 70 | S | 98.2 | Very high | 97.4 | Very high | 76 Ų | 76 | 84.4 Ų | 84.4 | 53% | 0.531 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | T66 L67 W68 A73 A74 | T66-S70 WeakPolarHBondContact O-CB 3.29Å; T66-S70 PolarHBondContact O-N 3.3Å; L67-S70 PolarHBondContact O-N 3.04Å; W68-S70 VanDerWaalsContact C-N 3.34Å; W68-S70 PolarHBondContact O-N 3.01Å; S70-A73 PolarHBondContact O-N 3.26Å; S70-A74 PolarHBondContact O-N 3.01Å |
| 71 | R | 98.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 77.9 Ų | 77.9 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 176 | -71.9 | 173.4 | 174 | -173.8 | -2.1 | 112.3 | L67 W68 I69 A73 A74 A75 | L67-R71 HydrophobicContact CD1-CG 4.46Å; L67-R71 WeakPolarHBondContact O-CG 3.18Å; L67-R71 PolarHBondContact O-N 2.99Å; W68-R71 PolarHBondContact O-N 3.07Å; I69-R71 PolarHBondContact O-N 3.04Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.32Å; R71-A74 WeakPolarHBondContact O-CB 3.19Å; R71-A74 PolarHBondContact O-N 2.89Å; R71-A75 PolarHBondContact O-N 3.17Å |
| 72 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 177.8 | -61.6 | 157.2 | 0 | 0 | 0 | 110.3 | W68 I69 A74 A75 S76 Y83 L86 R99 L102 F113 | W68-I72 WeakPolarHBondContact O-CD1 3.15Å; W68-I72 WeakPolarHBondContact O-CG1 3.34Å; W68-I72 PolarHBondContact O-N 2.92Å; I69-I72 PolarHBondContact O-N 3.07Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.43Å; I72-A75 PolarHBondContact O-N 3.19Å; I72-S76 VanDerWaalsContact O-CB 3.31Å; I72-S76 WeakPolarHBondContact O-CB 3.18Å; I72-S76 PolarHBondContact O-N 3.25Å; I72-S76 PolarHBondContact O-OG 3.01Å; I72-Y83 HydrophobicContact CB-CD2 4.04Å; I72-Y83 HydrophobicContact CB-CE2 4.35Å; I72-Y83 HydrophobicContact CD1-CE2 4.34Å; I72-Y83 HydrophobicContact CG2-CD2 3.7Å; I72-Y83 HydrophobicContact CG2-CE2 4.17Å; I72-L86 HydrophobicContact CG2-CD2 3.82Å; I72-R99 HydrophobicContact CD1-CB 4.06Å; I72-R99 HydrophobicContact CD1-CG 4.31Å; I72-L102 HydrophobicContact CD1-CB 4.09Å; I72-L102 HydrophobicContact CD1-CD2 3.95Å; I72-L102 HydrophobicContact CD1-CG 4.21Å; I72-L102 HydrophobicContact CG1-CB 4.38Å; I72-L102 HydrophobicContact CG1-CD2 4.21Å; I72-L102 HydrophobicContact CG1-CG 4.18Å; I72-L102 HydrophobicContact CG2-CD2 3.85Å; I72-L102 HydrophobicContact CG2-CG 4.38Å; I72-F113 HydrophobicContact CG2-CE2 4.41Å; I72-F113 HydrophobicContact CG2-CZ 4.37Å |
| 73 | A | 97.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 69.8 Ų | 69.8 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I69 S70 R71 R77 | I69-A73 VanDerWaalsContact O-CB 3.24Å; I69-A73 WeakPolarHBondContact O-CB 3.33Å; I69-A73 PolarHBondContact O-N 3.17Å; S70-A73 PolarHBondContact O-N 3.26Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.32Å; A73-R77 VanDerWaalsContact O-CG 3.29Å; A73-R77 WeakPolarHBondContact O-CG 3.39Å; A73-R77 PolarHBondContact O-N 3.46Å |
| 74 | A | 97.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -54.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S70 R71 I72 S76 R77 E78 | S70-A74 PolarHBondContact O-N 3.01Å; R71-A74 WeakPolarHBondContact O-CB 3.19Å; R71-A74 PolarHBondContact O-N 2.89Å; I72-A74 VanDerWaalsContact C-N 3.33Å; I72-A74 PolarHBondContact O-N 3.43Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 3.18Å; A74-R77 WeakPolarHBondContact O-CB 3.24Å; A74-R77 PolarHBondContact O-N 3.43Å; A74-E78 PolarHBondContact O-N 2.93Å |
| 75 | A | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | R71 I72 R77 E78 H79 A106 F113 | R71-A75 PolarHBondContact O-N 3.17Å; I72-A75 PolarHBondContact O-N 3.19Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3Å; A75-E78 WeakPolarHBondContact O-CB 3.22Å; A75-E78 PolarHBondContact O-N 3.42Å; A75-H79 PolarHBondContact O-N 3.43Å; A75-A106 HydrophobicContact CB-CB 3.82Å; A75-F113 HydrophobicContact CB-CD1 4.09Å; A75-F113 HydrophobicContact CB-CE1 3.45Å; A75-F113 VanDerWaalsContact CB-CE1 3.45Å; A75-F113 HydrophobicContact CB-CE2 4.46Å; A75-F113 HydrophobicContact CB-CZ 3.68Å |
| 76 | S | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | I72 A74 H79 G80 M81 L86 | I72-S76 VanDerWaalsContact O-CB 3.31Å; I72-S76 WeakPolarHBondContact O-CB 3.18Å; I72-S76 PolarHBondContact O-N 3.25Å; I72-S76 PolarHBondContact O-OG 3.01Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 3.18Å; S76-H79 CarbonylContact O-C 3.07Å; S76-H79 PolarHBondContact O-N 3.46Å; S76-G80 PolarHBondContact O-N 3.33Å; S76-M81 CarbonylContact C-O 3.07Å; S76-M81 VanDerWaalsContact CB-O 3.32Å; S76-M81 WeakPolarHBondContact CB-O 3.49Å; S76-M81 PolarHBondContact O-N 3.33Å; S76-L86 VanDerWaalsContact OG-CD2 3.24Å; S76-L86 WeakPolarHBondContact OG-CD2 3.43Å |
| 77 | R | 96.6 | Very high | 96.9 | Very high | 174 Ų | 174 | 57.6 Ų | 57.6 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.6 | -36.6 | 179.1 | -75 | 180 | -161.8 | 114 | -6.3 | 111.7 | A73 A74 A75 H79 G80 M81 | A73-R77 VanDerWaalsContact O-CG 3.29Å; A73-R77 WeakPolarHBondContact O-CG 3.39Å; A73-R77 PolarHBondContact O-N 3.46Å; A74-R77 WeakPolarHBondContact O-CB 3.24Å; A74-R77 PolarHBondContact O-N 3.43Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3Å; R77-H79 PolarHBondContact O-N 3.25Å; R77-G80 PolarHBondContact O-N 2.99Å; R77-M81 PolarHBondContact N-O 3.34Å |
| 78 | E | 96.2 | Very high | 96.7 | Very high | 153 Ų | 153 | 58.8 Ų | 58.8 | 72% | 0.715 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.3 | -30.2 | 173.9 | -66 | 172.4 | -168.5 | 0 | 0 | 112 | A74 A75 | A74-E78 PolarHBondContact O-N 2.93Å; A75-E78 WeakPolarHBondContact O-CB 3.22Å; A75-E78 PolarHBondContact O-N 3.42Å |
| 79 | H | 95.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 21% | 0.213 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10.2 | 174.8 | -57.6 | -38.9 | 0 | 0 | 0 | 114 | A75 S76 R77 F113 A117 R121 | A75-H79 PolarHBondContact O-N 3.43Å; S76-H79 CarbonylContact O-C 3.07Å; S76-H79 PolarHBondContact O-N 3.46Å; R77-H79 PolarHBondContact O-N 3.25Å; H79-F113 AromaticContact CD2-CD1 3.54Å; H79-F113 AromaticContact CD2-CE1 3.61Å; H79-F113 AromaticContact NE2-CD1 3.5Å; H79-A117 HydrophobicContact CB-CB 4.11Å; H79-R121 PolarHBondContact O-NH1 2.92Å; H79-R121 PolarHBondContact O-NH2 3.45Å |
| 80 | G | 94.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 54.3 Ų | 54.3 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 31.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S76 R77 R121 | S76-G80 PolarHBondContact O-N 3.33Å; R77-G80 PolarHBondContact O-N 2.99Å; G80-R121 PolarHBondContact O-NH2 2.93Å |
| 81 | M | 94.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | trans | -130.9 | 156.3 | 177 | -67.9 | -156.5 | -61.3 | 0 | 0 | 112.7 | S76 R77 L86 A117 A120 R121 | S76-M81 CarbonylContact C-O 3.07Å; S76-M81 VanDerWaalsContact CB-O 3.32Å; S76-M81 WeakPolarHBondContact CB-O 3.49Å; S76-M81 PolarHBondContact O-N 3.33Å; R77-M81 PolarHBondContact N-O 3.34Å; M81-L86 HydrophobicContact CE-CD1 3.72Å; M81-A117 HydrophobicContact CE-CB 3.71Å; M81-A117 WeakPolarHBondContact CE-O 3.37Å; M81-A120 HydrophobicContact CE-CB 4.16Å; M81-R121 HydrophobicContact SD-CB 3.76Å; M81-R121 HydrophobicContact SD-CG 4.47Å | ||
| 82 | K | 96.7 | Very high | 96 | Very high | 167 Ų | 167 | 55.1 Ų | 55.1 | 73% | 0.726 | 29% | 0.29 | S | S | * | . | trans | -94.5 | 144.5 | 174.8 | -63.3 | -179.3 | -179.8 | 175.5 | 0 | 110.3 | A85 L86 | K82-A85 PolarHBondContact O-N 2.97Å; K82-A85 VanDerWaalsContact O-N 3.13Å; K82-L86 PolarHBondContact O-N 3.48Å | ||
| 83 | Y | 96.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -50.1 | -46.1 | 178.8 | 164.7 | -93.5 | 0 | 0 | 0 | 114.8 | I69 I72 A85 L86 M87 R99 | I69-Y83 HydrophobicContact CB-CE2 4.48Å; I69-Y83 HydrophobicContact CG1-CE2 4.23Å; I69-Y83 HydrophobicContact CG2-CD1 4.14Å; I69-Y83 HydrophobicContact CG2-CD2 4.4Å; I69-Y83 HydrophobicContact CG2-CE1 3.89Å; I69-Y83 HydrophobicContact CG2-CE2 4.15Å; I69-Y83 HydrophobicContact CG2-CG 4.4Å; I72-Y83 HydrophobicContact CB-CD2 4.04Å; I72-Y83 HydrophobicContact CB-CE2 4.35Å; I72-Y83 HydrophobicContact CD1-CE2 4.34Å; I72-Y83 HydrophobicContact CG2-CD2 3.7Å; I72-Y83 HydrophobicContact CG2-CE2 4.17Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 2.85Å; Y83-L86 PolarHBondContact O-N 3.39Å; Y83-M87 HydrophobicContact CD2-CG 3.87Å; Y83-M87 HydrophobicContact CE1-CG 4.19Å; Y83-M87 HydrophobicContact CE2-CG 3.35Å; Y83-M87 HydrophobicContact CE2-SD 3.93Å; Y83-M87 HydrophobicContact CG-CG 4.48Å; Y83-M87 PolarHBondContact O-N 2.95Å; Y83-R99 PolarHBondContact OH-NE 3.21Å; Y83-R99 VanDerWaalsContact OH-NE 3.16Å |
| 84 | P | 96.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 58% | 0.584 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | -179.6 | -23.1 | 34.7 | 0 | 0 | 0 | 112.5 | H88 | P84-H88 WeakPolarHBondContact O-CB 3.45Å; P84-H88 PolarHBondContact O-N 3.41Å |
| 85 | A | 96.1 | Very high | 95 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | K82 Y83 M87 H88 N89 | K82-A85 PolarHBondContact O-N 2.97Å; K82-A85 VanDerWaalsContact O-N 3.13Å; Y83-A85 VanDerWaalsContact C-N 3.31Å; Y83-A85 PolarHBondContact O-N 2.85Å; A85-M87 PolarHBondContact O-N 2.92Å; A85-H88 PolarHBondContact O-N 3.12Å; A85-N89 WeakPolarHBondContact O-CB 3.46Å; A85-N89 PolarHBondContact O-N 3.17Å; A85-N89 PolarHBondContact O-ND2 2.91Å |
| 86 | L | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.1 | -54.6 | 176.2 | 179.4 | 71.6 | 0 | 0 | 0 | 111.2 | I72 S76 M81 K82 Y83 H88 N89 L90 L102 F113 A120 | I72-L86 HydrophobicContact CG2-CD2 3.82Å; S76-L86 VanDerWaalsContact OG-CD2 3.24Å; S76-L86 WeakPolarHBondContact OG-CD2 3.43Å; M81-L86 HydrophobicContact CE-CD1 3.72Å; K82-L86 PolarHBondContact O-N 3.48Å; Y83-L86 PolarHBondContact O-N 3.39Å; L86-H88 PolarHBondContact O-N 3.13Å; L86-N89 PolarHBondContact O-N 3.33Å; L86-L90 HydrophobicContact CD1-CD1 4.15Å; L86-L90 HydrophobicContact CD1-CG 4.42Å; L86-L90 HydrophobicContact CG-CD1 4.02Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.3Å; L86-L102 HydrophobicContact CD2-CD2 4.34Å; L86-F113 HydrophobicContact CD2-CE2 4.26Å; L86-F113 HydrophobicContact CD2-CZ 3.92Å; L86-A120 HydrophobicContact CD1-CB 3.65Å |
| 87 | M | 96.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -176.6 | -70.7 | -59.5 | -52.4 | 0 | 0 | 112.6 | Y83 A85 V91 R99 L102 | Y83-M87 HydrophobicContact CD2-CG 3.87Å; Y83-M87 HydrophobicContact CE1-CG 4.19Å; Y83-M87 HydrophobicContact CE2-CG 3.35Å; Y83-M87 HydrophobicContact CE2-SD 3.93Å; Y83-M87 HydrophobicContact CG-CG 4.48Å; Y83-M87 PolarHBondContact O-N 2.95Å; A85-M87 PolarHBondContact O-N 2.92Å; M87-V91 WeakPolarHBondContact O-CG2 3.34Å; M87-V91 PolarHBondContact O-N 3.29Å; M87-R99 HydrophobicContact CE-CG 4.36Å; M87-L102 HydrophobicContact SD-CD2 3.74Å |
| 88 | H | 95 | Very high | 94.5 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.435 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 178.9 | 169.1 | -94.8 | 0 | 0 | 0 | 111.7 | P84 A85 L86 V91 K92 | P84-H88 WeakPolarHBondContact O-CB 3.45Å; P84-H88 PolarHBondContact O-N 3.41Å; A85-H88 PolarHBondContact O-N 3.12Å; L86-H88 PolarHBondContact O-N 3.13Å; H88-V91 PolarHBondContact O-N 3.48Å; H88-K92 WeakPolarHBondContact CE1-CE 3.48Å; H88-K92 PolarHBondContact CE1-NZ 2.77Å; H88-K92 WeakPolarHBondContact NE2-CE 3.44Å; H88-K92 PolarHBondContact NE2-NZ 3.42Å; H88-K92 PolarHBondContact O-N 2.93Å |
| 89 | N | 95.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74 | -34.4 | -177.5 | -63.1 | -28.8 | 0 | 0 | 0 | 112.3 | A85 L86 V91 K92 S93 A120 R123 Q124 | A85-N89 WeakPolarHBondContact O-CB 3.46Å; A85-N89 PolarHBondContact O-N 3.17Å; A85-N89 PolarHBondContact O-ND2 2.91Å; L86-N89 PolarHBondContact O-N 3.33Å; N89-V91 VanDerWaalsContact C-N 3.34Å; N89-V91 PolarHBondContact O-N 3.48Å; N89-K92 PolarHBondContact O-N 3.16Å; N89-S93 PolarHBondContact O-N 2.99Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-A120 HydrophobicContact CB-CB 3.94Å; N89-A120 WeakPolarHBondContact CB-O 3.44Å; N89-A120 PolarHBondContact ND2-O 3.44Å; N89-R123 HydrophobicContact CB-CB 4.34Å; N89-R123 HydrophobicContact CB-CG 4.39Å; N89-Q124 VanDerWaalsContact ND2-CB 3.33Å; N89-Q124 WeakPolarHBondContact ND2-CB 3.47Å |
| 90 | L | 94.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 172.4 | -71.6 | 174.1 | 0 | 0 | 0 | 112 | L86 S93 S94 V95 L102 L116 A120 | L86-L90 HydrophobicContact CD1-CD1 4.15Å; L86-L90 HydrophobicContact CD1-CG 4.42Å; L86-L90 HydrophobicContact CG-CD1 4.02Å; L86-L90 WeakPolarHBondContact O-CG 3.26Å; L86-L90 PolarHBondContact O-N 3.3Å; L90-S93 PolarHBondContact O-N 3.48Å; L90-S94 PolarHBondContact O-N 3.38Å; L90-V95 HydrophobicContact CD2-CB 4.41Å; L90-V95 HydrophobicContact CD2-CG1 4.3Å; L90-V95 PolarHBondContact O-N 2.86Å; L90-L102 HydrophobicContact CD1-CD2 4.29Å; L90-L116 HydrophobicContact CD2-CB 4.41Å; L90-L116 HydrophobicContact CD2-CD2 4.21Å; L90-A120 HydrophobicContact CD2-CB 4.4Å; L90-A120 HydrophobicContact CG-CB 4.39Å |
| 91 | V | 94 | Very high | 94.7 | Very high | 104 Ų | 104 | 70.5 Ų | 70.5 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | M87 H88 N89 S93 S94 | M87-V91 WeakPolarHBondContact O-CG2 3.34Å; M87-V91 PolarHBondContact O-N 3.29Å; H88-V91 PolarHBondContact O-N 3.48Å; N89-V91 VanDerWaalsContact C-N 3.34Å; N89-V91 PolarHBondContact O-N 3.48Å; V91-S93 PolarHBondContact O-N 3.25Å; V91-S94 PolarHBondContact O-N 3.45Å |
| 92 | K | 92.2 | Very high | 94.8 | Very high | 96 Ų | 96 | 70 Ų | 70 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -20.5 | 175.7 | -78.1 | -171.1 | 169.9 | -175.1 | 0 | 114.5 | H88 N89 S94 R123 | H88-K92 WeakPolarHBondContact CE1-CE 3.48Å; H88-K92 PolarHBondContact CE1-NZ 2.77Å; H88-K92 WeakPolarHBondContact NE2-CE 3.44Å; H88-K92 PolarHBondContact NE2-NZ 3.42Å; H88-K92 PolarHBondContact O-N 2.93Å; N89-K92 PolarHBondContact O-N 3.16Å; K92-S94 VanDerWaalsContact C-N 3.32Å; K92-R123 HydrophobicContact CB-CG 4.29Å |
| 93 | S | 91.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 13.4 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | N89 L90 V91 V95 R123 | N89-S93 PolarHBondContact O-N 2.99Å; N89-S93 PolarHBondContact O-OG 3.38Å; L90-S93 PolarHBondContact O-N 3.48Å; V91-S93 PolarHBondContact O-N 3.25Å; S93-V95 PolarHBondContact O-N 3.13Å; S93-V95 VanDerWaalsContact O-N 3.16Å; S93-R123 WeakPolarHBondContact OG-CG 3.48Å |
| 94 | S | 90.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 24.7 | -177.2 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | L90 V91 K92 E96 | L90-S94 PolarHBondContact O-N 3.38Å; V91-S94 PolarHBondContact O-N 3.45Å; K92-S94 VanDerWaalsContact C-N 3.32Å; S94-E96 PolarHBondContact O-N 3.16Å |
| 95 | V | 92.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | trans | -93 | 91 | 177.2 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | L90 S93 V97 L116 L119 | L90-V95 HydrophobicContact CD2-CB 4.41Å; L90-V95 HydrophobicContact CD2-CG1 4.3Å; L90-V95 PolarHBondContact O-N 2.86Å; S93-V95 PolarHBondContact O-N 3.13Å; S93-V95 VanDerWaalsContact O-N 3.16Å; V95-V97 HydrophobicContact CG1-CG2 3.54Å; V95-V97 PolarHBondContact O-N 3.31Å; V95-L116 HydrophobicContact CG1-CD2 4.45Å; V95-L119 HydrophobicContact CG2-CD2 4.18Å | ||
| 96 | E | 91 | Very high | 94.9 | Very high | 191 Ų | 191 | 62.1 Ų | 62.1 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | trans | -82 | 79.9 | -178.7 | -63.7 | -167.2 | 169.9 | 0 | 0 | 112.2 | S94 | S94-E96 PolarHBondContact O-N 3.16Š| ||
| 97 | V | 93.1 | Very high | 95 | Very high | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | trans | -106.1 | 128.8 | 180 | -179.3 | 0 | 0 | 0 | 0 | 112 | V95 V101 L102 | V95-V97 HydrophobicContact CG1-CG2 3.54Å; V95-V97 PolarHBondContact O-N 3.31Å; V97-V101 HydrophobicContact CG1-CB 4.21Å; V97-V101 HydrophobicContact CG1-CG1 4.24Å; V97-L102 HydrophobicContact CG1-CB 4.04Å; V97-L102 HydrophobicContact CG1-CD1 4.43Å | ||
| 98 | N | 94.9 | Very high | 95 | Very high | 121 Ų | 121 | 70.1 Ų | 70.1 | 65% | 0.647 | 37% | 0.365 | S | S | * | . | trans | -68.6 | 142.4 | 174.2 | -80 | -40.5 | 0 | 0 | 0 | 112 | R100 V101 L102 | N98-R100 PolarHBondContact O-N 3.15Å; N98-R100 VanDerWaalsContact O-N 3.17Å; N98-V101 HydrophobicContact CB-CG2 4.41Å; N98-V101 PolarHBondContact O-N 3.41Å; N98-L102 PolarHBondContact O-N 3.44Å | ||
| 99 | R | 96.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -31.2 | 179.9 | -67.4 | 159.4 | 179.7 | 89.7 | 2 | 113.5 | W68 I72 Y83 M87 S103 | W68-R99 HydrophobicContact CB-CB 4.26Å; W68-R99 HydrophobicContact CE3-CB 4.38Å; I72-R99 HydrophobicContact CD1-CB 4.06Å; I72-R99 HydrophobicContact CD1-CG 4.31Å; Y83-R99 PolarHBondContact OH-NE 3.21Å; Y83-R99 VanDerWaalsContact OH-NE 3.16Å; M87-R99 HydrophobicContact CE-CG 4.36Å; R99-S103 VanDerWaalsContact O-CB 3.29Å; R99-S103 WeakPolarHBondContact O-CB 3.47Å; R99-S103 PolarHBondContact O-N 3.31Å; R99-S103 PolarHBondContact O-OG 3.35Å |
| 100 | R | 97.4 | Very high | 95.1 | Very high | 171 Ų | 171 | 73.7 Ų | 73.7 | 65% | 0.645 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61 | -53.8 | 173.6 | 179.7 | -176.9 | 169.3 | -168.5 | -3.9 | 110.5 | W68 N98 S103 D104 | W68-R100 HydrophobicContact CD2-CB 4.06Å; W68-R100 HydrophobicContact CE3-CB 4.08Å; W68-R100 HydrophobicContact CH2-CB 3.81Å; W68-R100 HydrophobicContact CH2-CG 4.15Å; W68-R100 HydrophobicContact CZ2-CB 3.75Å; W68-R100 HydrophobicContact CZ2-CG 3.69Å; W68-R100 HydrophobicContact CZ3-CB 3.96Å; N98-R100 PolarHBondContact O-N 3.15Å; N98-R100 VanDerWaalsContact O-N 3.17Å; R100-S103 PolarHBondContact O-N 3.2Å; R100-S103 PolarHBondContact O-OG 3.25Å; R100-D104 PolarHBondContact O-N 3.46Å |
| 101 | V | 97.2 | Very high | 95.2 | Very high | 73 Ų | 73 | 81.9 Ų | 81.9 | 44% | 0.442 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | -179.4 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | V97 N98 S103 D104 L105 | V97-V101 HydrophobicContact CG1-CB 4.21Å; V97-V101 HydrophobicContact CG1-CG1 4.24Å; N98-V101 HydrophobicContact CB-CG2 4.41Å; N98-V101 PolarHBondContact O-N 3.41Å; V101-S103 VanDerWaalsContact C-N 3.29Å; V101-S103 PolarHBondContact O-N 2.74Å; V101-D104 WeakPolarHBondContact O-CB 3.41Å; V101-D104 PolarHBondContact O-N 2.91Å; V101-L105 HydrophobicContact CG1-CD1 4.08Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CG 3.41Å; V101-L105 PolarHBondContact O-N 3.39Å |
| 102 | L | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 178.4 | -167.2 | 65.2 | 0 | 0 | 0 | 112.5 | I72 L86 M87 L90 V97 N98 D104 A106 F113 L116 | I72-L102 HydrophobicContact CD1-CB 4.09Å; I72-L102 HydrophobicContact CD1-CD2 3.95Å; I72-L102 HydrophobicContact CD1-CG 4.21Å; I72-L102 HydrophobicContact CG1-CB 4.38Å; I72-L102 HydrophobicContact CG1-CD2 4.21Å; I72-L102 HydrophobicContact CG1-CG 4.18Å; I72-L102 HydrophobicContact CG2-CD2 3.85Å; I72-L102 HydrophobicContact CG2-CG 4.38Å; L86-L102 HydrophobicContact CD2-CD2 4.34Å; M87-L102 HydrophobicContact SD-CD2 3.74Å; L90-L102 HydrophobicContact CD1-CD2 4.29Å; V97-L102 HydrophobicContact CG1-CB 4.04Å; V97-L102 HydrophobicContact CG1-CD1 4.43Å; N98-L102 PolarHBondContact O-N 3.44Å; L102-D104 VanDerWaalsContact C-N 3.31Å; L102-A106 WeakPolarHBondContact O-CB 3.33Å; L102-A106 PolarHBondContact O-N 2.97Å; L102-A106 VanDerWaalsContact O-N 3.12Å; L102-F113 HydrophobicContact CD1-CD2 3.99Å; L102-F113 HydrophobicContact CD1-CE2 3.88Å; L102-F113 HydrophobicContact CG-CD2 4.44Å; L102-F113 HydrophobicContact CG-CE2 3.97Å; L102-L116 HydrophobicContact CD1-CD1 3.77Å |
| 103 | S | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.3 | -26.4 | 175.3 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | R99 R100 V101 I107 | R99-S103 VanDerWaalsContact O-CB 3.29Å; R99-S103 WeakPolarHBondContact O-CB 3.47Å; R99-S103 PolarHBondContact O-N 3.31Å; R99-S103 PolarHBondContact O-OG 3.35Å; R100-S103 PolarHBondContact O-N 3.2Å; R100-S103 PolarHBondContact O-OG 3.25Å; V101-S103 VanDerWaalsContact C-N 3.29Å; V101-S103 PolarHBondContact O-N 2.74Å; S103-I107 WeakPolarHBondContact O-CD1 3.29Å; S103-I107 WeakPolarHBondContact O-CG1 3.44Å |
| 104 | D | 97.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 76.3 Ų | 76.3 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.6 | -48 | 178.6 | -157.2 | 32.5 | 0 | 0 | 0 | 109.8 | R100 V101 L102 A106 I107 T108 | R100-D104 PolarHBondContact O-N 3.46Å; V101-D104 WeakPolarHBondContact O-CB 3.41Å; V101-D104 PolarHBondContact O-N 2.91Å; L102-D104 VanDerWaalsContact C-N 3.31Å; D104-A106 PolarHBondContact O-N 3.11Å; D104-I107 WeakPolarHBondContact O-CA 3.1Å; D104-I107 WeakPolarHBondContact O-CB 3.38Å; D104-I107 PolarHBondContact O-N 3.44Å; D104-T108 PolarHBondContact O-N 2.82Å; D104-T108 PolarHBondContact O-OG1 3.25Å; D104-T108 VanDerWaalsContact O-OG1 3.09Å |
| 105 | L | 96.7 | Very high | 96.1 | Very high | 38 Ų | 38 | 76.1 Ų | 76.1 | 20% | 0.199 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.3 | -40 | 172.5 | -68.5 | 176 | 0 | 0 | 0 | 112.1 | V101 I107 E109 L116 | V101-L105 HydrophobicContact CG1-CD1 4.08Å; V101-L105 HydrophobicContact CG1-CG 4.28Å; V101-L105 WeakPolarHBondContact O-CG 3.41Å; V101-L105 PolarHBondContact O-N 3.39Å; L105-I107 PolarHBondContact O-N 2.78Å; L105-E109 HydrophobicContact CD2-CB 4.26Å; L105-E109 HydrophobicContact CD2-CG 4.46Å; L105-E109 CarbonylContact O-C 3.53Å; L105-E109 WeakPolarHBondContact O-CA 3.46Å; L105-E109 PolarHBondContact O-N 3.11Å; L105-L116 HydrophobicContact CD1-CD1 4.33Å |
| 106 | A | 96.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 75.8 Ų | 75.8 | 20% | 0.198 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.4 | -26 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A75 L102 D104 F113 | A75-A106 HydrophobicContact CB-CB 3.82Å; L102-A106 WeakPolarHBondContact O-CB 3.33Å; L102-A106 PolarHBondContact O-N 2.97Å; L102-A106 VanDerWaalsContact O-N 3.12Å; D104-A106 PolarHBondContact O-N 3.11Å; A106-F113 HydrophobicContact CB-CD2 3.83Å; A106-F113 HydrophobicContact CB-CE2 4.03Å; A106-F113 HydrophobicContact CB-CG 4.14Å |
| 107 | I | 97.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 66.9 Ų | 66.9 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -94.1 | -48.9 | -179.6 | -62.9 | 166.5 | 0 | 0 | 0 | 110.8 | S103 D104 L105 | S103-I107 WeakPolarHBondContact O-CD1 3.29Å; S103-I107 WeakPolarHBondContact O-CG1 3.44Å; D104-I107 WeakPolarHBondContact O-CA 3.1Å; D104-I107 WeakPolarHBondContact O-CB 3.38Å; D104-I107 PolarHBondContact O-N 3.44Å; L105-I107 PolarHBondContact O-N 2.78Å |
| 108 | T | 97.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 71 Ų | 71 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -87.4 | -33.7 | -171.3 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | D104 | D104-T108 PolarHBondContact O-N 2.82Å; D104-T108 PolarHBondContact O-OG1 3.25Å; D104-T108 VanDerWaalsContact O-OG1 3.09Å |
| 109 | E | 97 | Very high | 96.8 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -132.5 | 76.3 | -171.1 | -65.3 | -162.7 | 170.8 | 0 | 0 | 112.6 | L105 K111 S112 F113 | L105-E109 HydrophobicContact CD2-CB 4.26Å; L105-E109 HydrophobicContact CD2-CG 4.46Å; L105-E109 CarbonylContact O-C 3.53Å; L105-E109 WeakPolarHBondContact O-CA 3.46Å; L105-E109 PolarHBondContact O-N 3.11Å; E109-K111 PolarHBondContact O-N 3.34Å; E109-S112 PolarHBondContact O-N 3.45Å; E109-S112 WeakPolarHBondContact OE2-CB 3.45Å; E109-S112 PolarHBondContact OE2-OG 3.06Å; E109-F113 PolarHBondContact O-N 3.38Å; E109-F113 VanDerWaalsContact O-N 3.11Å | ||
| 110 | P | 95.3 | Very high | 96.8 | Very high | 83 Ų | 83 | 63.6 Ų | 63.6 | 54% | 0.539 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -30.6 | -177.3 | 24.3 | -34.3 | 0 | 0 | 0 | 112.8 | L114 | P110-L114 WeakPolarHBondContact O-CB 3.27Å; P110-L114 PolarHBondContact O-N 2.91Å |
| 111 | K | 96.9 | Very high | 96.7 | Very high | 176 Ų | 176 | 59.9 Ų | 59.9 | 77% | 0.765 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.1 | -45 | 177.4 | -64 | -178 | -178.9 | 178.3 | 0 | 111.9 | E109 L114 S115 | E109-K111 PolarHBondContact O-N 3.34Å; K111-L114 PolarHBondContact O-N 3Å; K111-S115 PolarHBondContact O-N 3.35Å; K111-S115 PolarHBondContact O-OG 3.36Å |
| 112 | S | 96.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | E109 L114 S115 L116 | E109-S112 PolarHBondContact O-N 3.45Å; E109-S112 WeakPolarHBondContact OE2-CB 3.45Å; E109-S112 PolarHBondContact OE2-OG 3.06Å; S112-L114 PolarHBondContact O-N 3.38Å; S112-S115 PolarHBondContact O-N 3.48Å; S112-L116 PolarHBondContact O-N 3.41Å; S112-L116 VanDerWaalsContact O-N 3.13Å |
| 113 | F | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.3 | -170.8 | -95.6 | 0 | 0 | 0 | 112.6 | I72 A75 H79 L86 L102 A106 E109 S115 L116 A117 | I72-F113 HydrophobicContact CG2-CE2 4.41Å; I72-F113 HydrophobicContact CG2-CZ 4.37Å; A75-F113 HydrophobicContact CB-CD1 4.09Å; A75-F113 HydrophobicContact CB-CE1 3.45Å; A75-F113 VanDerWaalsContact CB-CE1 3.45Å; A75-F113 HydrophobicContact CB-CE2 4.46Å; A75-F113 HydrophobicContact CB-CZ 3.68Å; H79-F113 AromaticContact CD2-CD1 3.54Å; H79-F113 AromaticContact CD2-CE1 3.61Å; H79-F113 AromaticContact NE2-CD1 3.5Å; L86-F113 HydrophobicContact CD2-CE2 4.26Å; L86-F113 HydrophobicContact CD2-CZ 3.92Å; L102-F113 HydrophobicContact CD1-CD2 3.99Å; L102-F113 HydrophobicContact CD1-CE2 3.88Å; L102-F113 HydrophobicContact CG-CD2 4.44Å; L102-F113 HydrophobicContact CG-CE2 3.97Å; A106-F113 HydrophobicContact CB-CD2 3.83Å; A106-F113 HydrophobicContact CB-CE2 4.03Å; A106-F113 HydrophobicContact CB-CG 4.14Å; E109-F113 PolarHBondContact O-N 3.38Å; E109-F113 VanDerWaalsContact O-N 3.11Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 3.26Å; F113-L116 PolarHBondContact O-N 2.99Å; F113-A117 WeakPolarHBondContact O-CB 3.38Å; F113-A117 PolarHBondContact O-N 3.13Å |
| 114 | L | 97 | Very high | 96.3 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 174.1 | 176 | 64.1 | 0 | 0 | 0 | 112 | P110 K111 S112 A117 K118 | P110-L114 WeakPolarHBondContact O-CB 3.27Å; P110-L114 PolarHBondContact O-N 2.91Å; K111-L114 PolarHBondContact O-N 3Å; S112-L114 PolarHBondContact O-N 3.38Å; L114-A117 WeakPolarHBondContact O-CB 3.2Å; L114-A117 PolarHBondContact O-N 3.28Å; L114-K118 HydrophobicContact CD1-CG 4.4Å; L114-K118 HydrophobicContact CG-CD 4.36Å; L114-K118 WeakPolarHBondContact O-CG 3.32Å; L114-K118 PolarHBondContact O-N 2.8Å |
| 115 | S | 96.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | K111 S112 F113 A117 K118 L119 | K111-S115 PolarHBondContact O-N 3.35Å; K111-S115 PolarHBondContact O-OG 3.36Å; S112-S115 PolarHBondContact O-N 3.48Å; F113-S115 VanDerWaalsContact C-N 3.34Å; F113-S115 PolarHBondContact O-N 3.26Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 3.12Å; S115-K118 PolarHBondContact O-N 2.87Å; S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 3.24Å |
| 116 | L | 96.1 | Very high | 96 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 174.1 | -68.1 | 174.1 | 0 | 0 | 0 | 112 | L90 V95 L102 L105 S112 F113 L119 A120 | L90-L116 HydrophobicContact CD2-CB 4.41Å; L90-L116 HydrophobicContact CD2-CD2 4.21Å; V95-L116 HydrophobicContact CG1-CD2 4.45Å; L102-L116 HydrophobicContact CD1-CD1 3.77Å; L105-L116 HydrophobicContact CD1-CD1 4.33Å; S112-L116 PolarHBondContact O-N 3.41Å; S112-L116 VanDerWaalsContact O-N 3.13Å; F113-L116 PolarHBondContact O-N 2.99Å; L116-L119 PolarHBondContact O-N 3.05Å; L116-A120 WeakPolarHBondContact O-CB 3.28Å; L116-A120 PolarHBondContact O-N 3.38Å |
| 117 | A | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H79 M81 F113 L114 S115 A120 R121 | H79-A117 HydrophobicContact CB-CB 4.11Å; M81-A117 HydrophobicContact CE-CB 3.71Å; M81-A117 WeakPolarHBondContact CE-O 3.37Å; F113-A117 WeakPolarHBondContact O-CB 3.38Å; F113-A117 PolarHBondContact O-N 3.13Å; L114-A117 WeakPolarHBondContact O-CB 3.2Å; L114-A117 PolarHBondContact O-N 3.28Å; S115-A117 VanDerWaalsContact C-N 3.34Å; S115-A117 PolarHBondContact O-N 3.12Å; A117-A120 PolarHBondContact O-N 3.14Å; A117-R121 PolarHBondContact O-N 3.45Å |
| 118 | K | 96.4 | Very high | 95.5 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 174.9 | -75.2 | 175.8 | 176.9 | -178.9 | 0 | 111.8 | L114 S115 A120 R121 A122 | L114-K118 HydrophobicContact CD1-CG 4.4Å; L114-K118 HydrophobicContact CG-CD 4.36Å; L114-K118 WeakPolarHBondContact O-CG 3.32Å; L114-K118 PolarHBondContact O-N 2.8Å; S115-K118 PolarHBondContact O-N 2.87Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-A120 PolarHBondContact O-N 3.47Å; K118-R121 PolarHBondContact O-N 3.33Å; K118-A122 PolarHBondContact O-N 2.78Å |
| 119 | L | 95.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 176 | 178.6 | 67.1 | 0 | 0 | 0 | 111.2 | V95 S115 L116 R121 A122 R123 F142 | V95-L119 HydrophobicContact CG2-CD2 4.18Å; S115-L119 WeakPolarHBondContact O-CB 3.39Å; S115-L119 PolarHBondContact O-N 3.24Å; L116-L119 PolarHBondContact O-N 3.05Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 3.04Å; L119-A122 PolarHBondContact O-N 3.02Å; L119-R123 PolarHBondContact O-N 3.47Å; L119-F142 HydrophobicContact CD1-CD1 3.56Å; L119-F142 HydrophobicContact CD1-CE1 3.61Å; L119-F142 HydrophobicContact CD1-CG 4.16Å; L119-F142 HydrophobicContact CD1-CZ 4.25Å |
| 120 | A | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | M81 L86 N89 L90 L116 A117 K118 Q124 | M81-A120 HydrophobicContact CE-CB 4.16Å; L86-A120 HydrophobicContact CD1-CB 3.65Å; N89-A120 HydrophobicContact CB-CB 3.94Å; N89-A120 WeakPolarHBondContact CB-O 3.44Å; N89-A120 PolarHBondContact ND2-O 3.44Å; L90-A120 HydrophobicContact CD2-CB 4.4Å; L90-A120 HydrophobicContact CG-CB 4.39Å; L116-A120 WeakPolarHBondContact O-CB 3.28Å; L116-A120 PolarHBondContact O-N 3.38Å; A117-A120 PolarHBondContact O-N 3.14Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-A120 PolarHBondContact O-N 3.47Å; A120-Q124 WeakPolarHBondContact O-CB 3.29Å; A120-Q124 PolarHBondContact O-N 3.23Å |
| 121 | R | 95.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 174.2 | -177 | 174.9 | -86.6 | 144.2 | -2.2 | 111.6 | H79 G80 M81 A117 K118 L119 Q124 Q125 | H79-R121 PolarHBondContact O-NH1 2.92Å; H79-R121 PolarHBondContact O-NH2 3.45Å; G80-R121 PolarHBondContact O-NH2 2.93Å; M81-R121 HydrophobicContact SD-CB 3.76Å; M81-R121 HydrophobicContact SD-CG 4.47Å; A117-R121 PolarHBondContact O-N 3.45Å; K118-R121 PolarHBondContact O-N 3.33Å; L119-R121 VanDerWaalsContact C-N 3.32Å; L119-R121 PolarHBondContact O-N 3.04Å; R121-Q124 VanDerWaalsContact O-CB 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.39Å; R121-Q124 PolarHBondContact O-N 3.03Å; R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.39Å |
| 122 | A | 95.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | K118 L119 Q124 Q125 E126 F142 | K118-A122 PolarHBondContact O-N 2.78Å; L119-A122 PolarHBondContact O-N 3.02Å; A122-Q124 VanDerWaalsContact C-N 3.25Å; A122-Q124 PolarHBondContact O-N 2.86Å; A122-Q125 PolarHBondContact O-N 2.91Å; A122-Q125 VanDerWaalsContact O-N 3.16Å; A122-E126 PolarHBondContact O-N 3.2Å; A122-F142 HydrophobicContact CB-CD2 4.1Å; A122-F142 HydrophobicContact CB-CE2 4.04Å |
| 123 | R | 95.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 175.9 | -176.2 | 64 | -174.1 | 104.1 | -8.1 | 112.9 | N89 K92 S93 L119 G127 F142 | N89-R123 HydrophobicContact CB-CB 4.34Å; N89-R123 HydrophobicContact CB-CG 4.39Å; K92-R123 HydrophobicContact CB-CG 4.29Å; S93-R123 WeakPolarHBondContact OG-CG 3.48Å; L119-R123 PolarHBondContact O-N 3.47Å; R123-G127 PolarHBondContact O-N 3.18Å; R123-F142 WeakPolarHBondContact CD-O 3.35Å |
| 124 | Q | 94.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 65.1 Ų | 65.1 | 24% | 0.243 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.5 | -161.4 | -178.8 | -20.9 | 0 | 0 | 111.8 | N89 A120 R121 A122 G127 F128 | N89-Q124 VanDerWaalsContact ND2-CB 3.33Å; N89-Q124 WeakPolarHBondContact ND2-CB 3.47Å; A120-Q124 WeakPolarHBondContact O-CB 3.29Å; A120-Q124 PolarHBondContact O-N 3.23Å; R121-Q124 VanDerWaalsContact O-CB 3.28Å; R121-Q124 WeakPolarHBondContact O-CB 3.39Å; R121-Q124 PolarHBondContact O-N 3.03Å; A122-Q124 VanDerWaalsContact C-N 3.25Å; A122-Q124 PolarHBondContact O-N 2.86Å; Q124-G127 PolarHBondContact O-N 3.1Å; Q124-F128 HydrophobicContact CG-CD2 4.17Å; Q124-F128 HydrophobicContact CG-CE2 3.57Å; Q124-F128 HydrophobicContact CG-CZ 3.94Å; Q124-F128 VanDerWaalsContact NE2-CE2 3.28Å; Q124-F128 VanDerWaalsContact NE2-CZ 3.33Å; Q124-F128 WeakPolarHBondContact O-CD2 3.5Å; Q124-F128 WeakPolarHBondContact O-CG 3.39Å; Q124-F128 PolarHBondContact O-N 3.18Å |
| 125 | Q | 93.7 | Very high | 92.6 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 58% | 0.584 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 180 | -71.4 | 171.9 | -19.5 | 0 | 0 | 111.3 | R121 A122 G127 F128 G129 | R121-Q125 WeakPolarHBondContact O-CG 3.27Å; R121-Q125 PolarHBondContact O-N 3.39Å; A122-Q125 PolarHBondContact O-N 2.91Å; A122-Q125 VanDerWaalsContact O-N 3.16Å; Q125-G127 PolarHBondContact O-N 3.35Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.14Å; Q125-G129 PolarHBondContact O-N 3.05Å |
| 126 | E | 93.1 | Very high | 92.1 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 172.4 | -69.6 | -177.9 | 168.7 | 0 | 0 | 111.9 | A122 G129 A130 V141 F142 S143 | A122-E126 PolarHBondContact O-N 3.2Å; E126-G129 PolarHBondContact O-N 2.9Å; E126-A130 WeakPolarHBondContact O-CB 3.4Å; E126-A130 PolarHBondContact O-N 3.28Å; E126-V141 PolarHBondContact OE1-N 3.02Å; E126-F142 WeakPolarHBondContact OE1-CD2 3.25Å; E126-F142 PolarHBondContact OE1-N 2.88Å; E126-F142 WeakPolarHBondContact OE2-CB 3.3Å; E126-F142 PolarHBondContact OE2-N 3.18Å; E126-S143 PolarHBondContact OE2-N 3.39Å; E126-S143 VanDerWaalsContact OE2-N 3.07Å |
| 127 | G | 91.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 75.6 Ų | 75.6 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R123 Q124 Q125 A131 | R123-G127 PolarHBondContact O-N 3.18Å; Q124-G127 PolarHBondContact O-N 3.1Å; Q125-G127 PolarHBondContact O-N 3.35Å; G127-A131 WeakPolarHBondContact O-CB 3.4Å; G127-A131 PolarHBondContact O-N 3.25Å |
| 128 | F | 92.2 | Very high | 91 | Very high | 122 Ų | 122 | 80.5 Ų | 80.5 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.5 | -42.8 | 174.2 | -67 | -44.1 | 0 | 0 | 0 | 112.1 | Q124 Q125 A131 L132 | Q124-F128 HydrophobicContact CG-CD2 4.17Å; Q124-F128 HydrophobicContact CG-CE2 3.57Å; Q124-F128 HydrophobicContact CG-CZ 3.94Å; Q124-F128 VanDerWaalsContact NE2-CE2 3.28Å; Q124-F128 VanDerWaalsContact NE2-CZ 3.33Å; Q124-F128 WeakPolarHBondContact O-CD2 3.5Å; Q124-F128 WeakPolarHBondContact O-CG 3.39Å; Q124-F128 PolarHBondContact O-N 3.18Å; Q125-F128 PolarHBondContact O-N 2.79Å; Q125-F128 VanDerWaalsContact O-N 3.14Å; F128-A131 PolarHBondContact O-N 2.9Å; F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 3.28Å |
| 129 | G | 90.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 78.2 Ų | 78.2 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q125 E126 A131 L132 G133 | Q125-G129 PolarHBondContact O-N 3.05Å; E126-G129 PolarHBondContact O-N 2.9Å; G129-A131 PolarHBondContact O-N 3.09Å; G129-L132 PolarHBondContact O-N 2.9Å; G129-L132 VanDerWaalsContact O-N 3.12Å; G129-G133 PolarHBondContact O-N 3.5Å; G129-G133 VanDerWaalsContact O-N 3.07Å |
| 130 | A | 89.6 | Confident | 90 | Very high | 70 Ų | 70 | 77.4 Ų | 77.4 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.6 | -29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E126 | E126-A130 WeakPolarHBondContact O-CB 3.4Å; E126-A130 PolarHBondContact O-N 3.28Å |
| 131 | A | 90.9 | Very high | 89.6 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 67% | 0.669 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -79.7 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G127 F128 G129 | G127-A131 WeakPolarHBondContact O-CB 3.4Å; G127-A131 PolarHBondContact O-N 3.25Å; F128-A131 PolarHBondContact O-N 2.9Å; G129-A131 PolarHBondContact O-N 3.09Å |
| 132 | L | 91.6 | Very high | 89.2 | Confident | 154 Ų | 154 | 82.4 Ų | 82.4 | 81% | 0.806 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -84.7 | -26.1 | 176.9 | -71.6 | 171.3 | 0 | 0 | 0 | 112.5 | F128 G129 | F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 3.28Å; G129-L132 PolarHBondContact O-N 2.9Å; G129-L132 VanDerWaalsContact O-N 3.12Å |
| 133 | G | 86.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 25% | 0.247 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -81 | 161.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G129 G135 | G129-G133 PolarHBondContact O-N 3.5Å; G129-G133 VanDerWaalsContact O-N 3.07Å; G133-G135 PolarHBondContact O-N 3.09Å |
| 134 | D | 87.4 | Confident | 88.4 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 77% | 0.77 | 51% | 0.508 | S | S | * | . | trans | -75.2 | 13.5 | -179.5 | -60.3 | -32.3 | 0 | 0 | 0 | 114.1 | K136 | D134-K136 PolarHBondContact O-N 3.27Š| ||
| 135 | G | 80.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 92 Ų | 92 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 73.3 | 0.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G133 | G133-G135 PolarHBondContact O-N 3.09Š|
| 136 | K | 85.6 | Confident | 87.2 | Confident | 186 Ų | 186 | 91.7 Ų | 91.7 | 81% | 0.809 | 53% | 0.533 | S | S | * | . | trans | -77.4 | -23.7 | 174.7 | -65.4 | 176.2 | 177.7 | 167.2 | 0 | 113 | D134 | D134-K136 PolarHBondContact O-N 3.27Š| ||
| 137 | E | 84.8 | Confident | 86.3 | Confident | 134 Ų | 134 | 95.3 Ų | 95.3 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -72.9 | 142.9 | -178.8 | -64.8 | 179.7 | -174.5 | 0 | 0 | 111.2 | ||
| 138 | P | 84.9 | Confident | 85 | Confident | 107 Ų | 107 | 101.9 Ų | 101.9 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151.4 | 178.2 | 28.2 | -34.7 | 0 | 0 | 0 | 111.2 | G140 | P138-G140 PolarHBondContact O-N 2.91Š|
| 139 | P | 85 | Confident | 83 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 52% | 0.519 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 136.7 | 176.3 | 25.5 | -33.6 | 0 | 0 | 0 | 111.4 | S143 | P139-S143 WeakPolarHBondContact CB-OG 3.33Š|
| 140 | G | 86.4 | Confident | 82.6 | Confident | 27 Ų | 27 | 112.5 Ų | 112.5 | 28% | 0.278 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 157.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P138 F142 S143 R144 | P138-G140 PolarHBondContact O-N 2.91Å; G140-F142 PolarHBondContact O-N 3.1Å; G140-S143 WeakPolarHBondContact CA-OG 3.33Å; G140-S143 PolarHBondContact N-OG 3.28Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.06Å; G140-S143 PolarHBondContact O-OG 3Å; G140-R144 PolarHBondContact O-N 3.41Å |
| 141 | V | 88 | Confident | 82.3 | Confident | 100 Ų | 100 | 114.7 Ų | 114.7 | 61% | 0.606 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -60.1 | -45.3 | -169.5 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | E126 S143 | E126-V141 PolarHBondContact OE1-N 3.02Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 3.11Å |
| 142 | F | 87.6 | Confident | 81.8 | Confident | 99 Ų | 99 | 116.6 Ų | 116.6 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -81 | -7 | 178.6 | -58.9 | -70.8 | 0 | 0 | 0 | 113.4 | L119 A122 R123 E126 G140 | L119-F142 HydrophobicContact CD1-CD1 3.56Å; L119-F142 HydrophobicContact CD1-CE1 3.61Å; L119-F142 HydrophobicContact CD1-CG 4.16Å; L119-F142 HydrophobicContact CD1-CZ 4.25Å; A122-F142 HydrophobicContact CB-CD2 4.1Å; A122-F142 HydrophobicContact CB-CE2 4.04Å; R123-F142 WeakPolarHBondContact CD-O 3.35Å; E126-F142 WeakPolarHBondContact OE1-CD2 3.25Å; E126-F142 PolarHBondContact OE1-N 2.88Å; E126-F142 WeakPolarHBondContact OE2-CB 3.3Å; E126-F142 PolarHBondContact OE2-N 3.18Å; G140-F142 PolarHBondContact O-N 3.1Å |
| 143 | S | 86.7 | Confident | 81.2 | Confident | 23 Ų | 23 | 114.4 Ų | 114.4 | 16% | 0.161 | 63% | 0.626 | C | S | . | * | G | 310 helix | trans | -85.9 | -13.9 | 176.6 | 80.3 | 0 | 0 | 0 | 0 | 113.7 | E126 P139 G140 V141 I145 | E126-S143 PolarHBondContact OE2-N 3.39Å; E126-S143 VanDerWaalsContact OE2-N 3.07Å; P139-S143 WeakPolarHBondContact CB-OG 3.33Å; G140-S143 WeakPolarHBondContact CA-OG 3.33Å; G140-S143 PolarHBondContact N-OG 3.28Å; G140-S143 WeakPolarHBondContact O-CB 3.31Å; G140-S143 PolarHBondContact O-N 3.06Å; G140-S143 PolarHBondContact O-OG 3Å; V141-S143 VanDerWaalsContact C-N 3.26Å; V141-S143 PolarHBondContact O-N 3.11Å; S143-I145 PolarHBondContact O-N 2.98Å |
| 144 | R | 87.1 | Confident | 80.9 | Confident | 163 Ų | 163 | 120 Ų | 120 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | trans | -70.6 | 122.8 | 178.1 | -62.5 | 173.9 | -172.4 | -177.3 | 1.6 | 109.9 | G140 | G140-R144 PolarHBondContact O-N 3.41Š| ||
| 145 | I | 81.8 | Confident | 80.5 | Confident | 124 Ų | 124 | 118.4 Ų | 118.4 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | trans | -92.1 | 127.6 | 178.2 | -61.3 | 169.1 | 0 | 0 | 0 | 107.9 | S143 T147 | S143-I145 PolarHBondContact O-N 2.98Å; I145-T147 PolarHBondContact O-N 3.16Å | ||
| 146 | V | 79.9 | Confident | 80.4 | Confident | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | trans | -78.1 | 105.9 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | L148 | V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 3.37Å | ||
| 147 | T | 75.5 | Confident | 80 | Confident | 120 Ų | 120 | 117.1 Ų | 117.1 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | trans | -75.5 | 102.2 | 167.9 | 50 | 0 | 0 | 0 | 0 | 107.4 | I145 Q149 | I145-T147 PolarHBondContact O-N 3.16Å; T147-Q149 PolarHBondContact O-N 2.76Å | ||
| 148 | L | 63.7 | Low | 79.6 | Confident | 162 Ų | 162 | 115.7 Ų | 115.7 | 85% | 0.848 | 62% | 0.624 | S | S | * | * | trans | -66.3 | 116.7 | 166.3 | -64.7 | 173.4 | 0 | 0 | 0 | 106.8 | V146 | V146-L148 HydrophobicContact CG1-CD2 4.26Å; V146-L148 PolarHBondContact O-N 3.37Å | ||
| 149 | Q | 49.1 | Very low | 79.2 | Confident | 265 Ų | 265 | 116.5 Ų | 116.5 | 100% | 1.238 | 62% | 0.617 | S | S | * | * | trans | -68.1 | 0 | 169.5 | -78.5 | -176.9 | -41 | 0 | 0 | 110.6 | T147 | T147-Q149 PolarHBondContact O-N 2.76Š|
Retrieved 149 of 149 residues in 60.3 ms
(Link to these results)