| 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 | 54.8 | Low | 77.8 | Confident | 243 Ų | 243 | 161.9 Ų | 161.9 | 100% | 1.197 | 76% | 0.762 | S | S | * | * | 0 | 126.6 | 0 | -72.6 | -172.4 | -175.5 | 0 | 0 | 109.5 | Q3 | M1-Q3 PolarHBondContact O-N 3.2Š| |||
| 2 | K | 64.4 | Low | 79.4 | Confident | 213 Ų | 213 | 155.8 Ų | 155.8 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 108.3 | 177 | -148.7 | 115.9 | 176.8 | 175.6 | 0 | 108 | R4 | K2-R4 PolarHBondContact O-N 2.99Š| ||
| 3 | Q | 65 | Low | 80.8 | Confident | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121 | 178.5 | -82 | 169.5 | -17.7 | 0 | 0 | 109.7 | M1 R5 | M1-Q3 PolarHBondContact O-N 3.2Å; Q3-R5 PolarHBondContact O-N 3.06Å |
| 4 | R | 74.2 | Confident | 82 | Confident | 239 Ų | 239 | 147 Ų | 147 | 90% | 0.902 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.7 | 172.3 | -64 | -174.5 | 74.8 | -173.2 | 4.4 | 107.6 | K2 | K2-R4 PolarHBondContact O-N 2.99Š|
| 5 | R | 71.7 | Confident | 83 | Confident | 210 Ų | 210 | 142.2 Ų | 142.2 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 137.1 | 174 | -76.8 | 174 | 140.2 | -122.9 | -1.6 | 109.6 | Q3 R7 | Q3-R5 PolarHBondContact O-N 3.06Å; R5-R7 PolarHBondContact O-N 3.38Å |
| 6 | P | 77.4 | Confident | 84 | Confident | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 139.3 | 174.3 | -26.5 | 33.7 | 0 | 0 | 0 | 111.1 | T8 | P6-T8 PolarHBondContact O-N 2.96Š|
| 7 | R | 81.9 | Confident | 84.8 | Confident | 253 Ų | 253 | 135.4 Ų | 135.4 | 96% | 0.955 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 119.5 | 177.2 | -168.6 | 173.7 | -169.2 | 154.5 | 0.3 | 108.4 | R5 | R5-R7 PolarHBondContact O-N 3.38Š|
| 8 | T | 83 | Confident | 85.5 | Confident | 77 Ų | 77 | 127.9 Ų | 127.9 | 47% | 0.472 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -82 | 130.2 | 175.7 | 59 | 0 | 0 | 0 | 0 | 109.5 | P6 | P6-T8 PolarHBondContact O-N 2.96Š|
| 9 | S | 90.9 | Very high | 86.2 | Confident | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 136 | 167.2 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 10 | F | 95.3 | Very high | 86.7 | Confident | 42 Ų | 42 | 123 Ų | 123 | 18% | 0.184 | 59% | 0.587 | C | S | . | * | P | Polyproline II helix | trans | -92.7 | 145.5 | 173.5 | -59.3 | -58.6 | 0 | 0 | 0 | 109.6 | Q14 L15 L42 Q46 W50 | F10-Q14 HydrophobicContact CB-CB 4.24Å; F10-L15 HydrophobicContact CB-CD2 3.84Å; F10-L15 HydrophobicContact CB-CG 3.97Å; F10-L15 HydrophobicContact CD2-CD2 4.07Å; F10-L15 HydrophobicContact CG-CD2 4.36Å; F10-L42 HydrophobicContact CD1-CD1 3.92Å; F10-L42 HydrophobicContact CD1-CD2 3.83Å; F10-L42 HydrophobicContact CE1-CD1 3.84Å; F10-L42 HydrophobicContact CE1-CD2 3.81Å; F10-L42 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CE1-CB 4.14Å; F10-Q46 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CZ-CB 4.2Å; F10-W50 AromaticContact CD2-CD1 3.75Å; F10-W50 HydrophobicContact CE2-CB 4.32Å; F10-W50 AromaticContact CE2-CD1 3.52Å; F10-W50 HydrophobicContact CE2-CG 4.29Å |
| 11 | T | 97.2 | Very high | 87.2 | Confident | 77 Ų | 77 | 119 Ų | 119 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 160.6 | 173.9 | 73 | 0 | 0 | 0 | 0 | 110.7 | Q13 Q14 L15 | T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 3.29Å; T11-Q14 PolarHBondContact O-N 3.37Å; T11-Q14 VanDerWaalsContact OG1-CG 3.28Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.36Å; T11-Q14 PolarHBondContact OG1-N 3.34Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 2.89Å |
| 12 | S | 97 | Very high | 89.3 | Confident | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.3 | -44 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | Q14 L15 I16 | S12-Q14 PolarHBondContact O-N 3.19Å; S12-L15 PolarHBondContact O-N 3Å; S12-I16 WeakPolarHBondContact O-CG1 3.41Å; S12-I16 PolarHBondContact O-N 3.29Å |
| 13 | Q | 97.4 | Very high | 90.8 | Very high | 158 Ų | 158 | 104.3 Ų | 104.3 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 177.3 | -68.5 | -164.6 | -50.1 | 0 | 0 | 112.7 | T11 L15 I16 E17 | T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 3.29Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.28Å; Q13-I16 PolarHBondContact O-N 3.3Å; Q13-E17 PolarHBondContact O-N 3.01Å; Q13-E17 VanDerWaalsContact O-N 3.1Å |
| 14 | Q | 98 | Very high | 92.3 | Very high | 30 Ų | 30 | 99.7 Ų | 99.7 | 14% | 0.14 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 175.5 | -74.4 | 171.8 | -22.3 | 0 | 0 | 111.5 | F10 T11 S12 L18 L40 | F10-Q14 HydrophobicContact CB-CB 4.24Å; T11-Q14 PolarHBondContact O-N 3.37Å; T11-Q14 VanDerWaalsContact OG1-CG 3.28Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.36Å; T11-Q14 PolarHBondContact OG1-N 3.34Å; S12-Q14 PolarHBondContact O-N 3.19Å; Q14-L18 WeakPolarHBondContact O-CB 3.38Å; Q14-L18 WeakPolarHBondContact O-CD1 3.37Å; Q14-L18 WeakPolarHBondContact O-CG 3.39Å; Q14-L18 PolarHBondContact O-N 2.78Å; Q14-L40 HydrophobicContact CG-CB 4.36Å; Q14-L40 PolarHBondContact NE2-O 3.28Å |
| 15 | L | 97.5 | Very high | 93.4 | Very high | 75 Ų | 75 | 92.6 Ų | 92.6 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 178.7 | -67.9 | 173.4 | 0 | 0 | 0 | 112.5 | F10 T11 S12 Q13 L18 E19 | F10-L15 HydrophobicContact CB-CD2 3.84Å; F10-L15 HydrophobicContact CB-CG 3.97Å; F10-L15 HydrophobicContact CD2-CD2 4.07Å; F10-L15 HydrophobicContact CG-CD2 4.36Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 2.89Å; S12-L15 PolarHBondContact O-N 3Å; Q13-L15 VanDerWaalsContact C-N 3.3Å; Q13-L15 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 3.27Å; L15-E19 WeakPolarHBondContact O-CB 3.19Å; L15-E19 PolarHBondContact O-N 3.04Å |
| 16 | I | 97.8 | Very high | 94.5 | Very high | 104 Ų | 104 | 85.8 Ų | 85.8 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 177.5 | -68.4 | 165.4 | 0 | 0 | 0 | 110.3 | S12 Q13 E19 R20 | S12-I16 WeakPolarHBondContact O-CG1 3.41Å; S12-I16 PolarHBondContact O-N 3.29Å; Q13-I16 PolarHBondContact O-N 3.3Å; I16-E19 PolarHBondContact O-N 3.05Å; I16-R20 WeakPolarHBondContact O-CB 3.49Å; I16-R20 PolarHBondContact O-N 3.46Å |
| 17 | E | 97.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 87.8 Ų | 87.8 | 30% | 0.304 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 179.3 | -77.1 | -59.7 | 116.3 | 0 | 0 | 112.5 | Q13 E19 R20 K21 L40 | Q13-E17 PolarHBondContact O-N 3.01Å; Q13-E17 VanDerWaalsContact O-N 3.1Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.29Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-NE 3.35Å; E17-R20 PolarHBondContact OE1-NE 3.23Å; E17-R20 IonicContact OE2-CZ 3Å; E17-R20 IonicContact OE2-NE 3.01Å; E17-R20 PolarHBondContact OE2-NE 3.27Å; E17-R20 IonicContact OE2-NH2 3.88Å; E17-R20 PolarHBondContact OE2-NH2 3.16Å; E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3Å; E17-L40 HydrophobicContact CB-CD1 4.09Å; E17-L40 HydrophobicContact CB-CD2 3.59Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 HydrophobicContact CG-CD2 3.91Å |
| 18 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 174.6 | -74.4 | 166.2 | 0 | 0 | 0 | 111.6 | Q14 L15 F22 I36 L40 L42 V47 W50 F51 | Q14-L18 WeakPolarHBondContact O-CB 3.38Å; Q14-L18 WeakPolarHBondContact O-CD1 3.37Å; Q14-L18 WeakPolarHBondContact O-CG 3.39Å; Q14-L18 PolarHBondContact O-N 2.78Å; L15-L18 PolarHBondContact O-N 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.4Å; L18-F22 PolarHBondContact O-N 3.45Å; L18-I36 HydrophobicContact CD2-CG2 3.98Å; L18-L40 HydrophobicContact CD2-CD1 3.87Å; L18-L40 HydrophobicContact CG-CD1 3.7Å; L18-L42 HydrophobicContact CD1-CD1 4.25Å; L18-V47 HydrophobicContact CD2-CG1 4.32Å; L18-W50 VanDerWaalsContact C-CH2 3.46Å; L18-W50 HydrophobicContact CB-CD2 3.91Å; L18-W50 HydrophobicContact CB-CE3 3.92Å; L18-W50 HydrophobicContact CB-CH2 3.66Å; L18-W50 HydrophobicContact CB-CZ2 3.6Å; L18-W50 HydrophobicContact CB-CZ3 3.81Å; L18-W50 HydrophobicContact CD1-CD2 3.87Å; L18-W50 HydrophobicContact CD1-CG 3.83Å; L18-W50 HydrophobicContact CD2-CD2 4.27Å; L18-W50 HydrophobicContact CD2-CE3 4.15Å; L18-W50 HydrophobicContact CG-CD2 4.24Å; L18-W50 HydrophobicContact CG-CE3 4.42Å; L18-W50 WeakPolarHBondContact O-CH2 3.47Å; L18-W50 WeakPolarHBondContact O-CZ3 3.49Å; L18-F51 HydrophobicContact CD2-CE2 4Å |
| 19 | E | 98 | Very high | 96.9 | Very high | 49 Ų | 49 | 75.8 Ų | 75.8 | 23% | 0.229 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 176.8 | -167.6 | 65.3 | -147.2 | 0 | 0 | 111.8 | L15 I16 E17 F22 K23 R54 | L15-E19 WeakPolarHBondContact O-CB 3.19Å; L15-E19 PolarHBondContact O-N 3.04Å; I16-E19 PolarHBondContact O-N 3.05Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 3.29Å; E19-F22 PolarHBondContact O-N 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 3.43Å; E19-R54 VanDerWaalsContact CD-NE 3.3Å; E19-R54 IonicContact OE1-CZ 3.04Å; E19-R54 VanDerWaalsContact OE1-CZ 3.28Å; E19-R54 IonicContact OE1-NE 3.82Å; E19-R54 PolarHBondContact OE1-NE 3.21Å; E19-R54 IonicContact OE1-NH2 3.72Å; E19-R54 PolarHBondContact OE1-NH2 2.95Å; E19-R54 WeakPolarHBondContact OE2-CD 3.41Å; E19-R54 IonicContact OE2-CZ 2.78Å; E19-R54 IonicContact OE2-NE 3.28Å; E19-R54 PolarHBondContact OE2-NE 3.43Å; E19-R54 IonicContact OE2-NH2 3.29Å |
| 20 | R | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 79.6 Ų | 79.6 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.7 | -52.5 | 174 | -173.3 | -179.7 | 71.9 | 95.7 | -15.9 | 110.9 | I16 E17 F22 K23 E24 | I16-R20 WeakPolarHBondContact O-CB 3.49Å; I16-R20 PolarHBondContact O-N 3.46Å; E17-R20 PolarHBondContact O-N 3.4Å; E17-R20 IonicContact OE1-NE 3.35Å; E17-R20 PolarHBondContact OE1-NE 3.23Å; E17-R20 IonicContact OE2-CZ 3Å; E17-R20 IonicContact OE2-NE 3.01Å; E17-R20 PolarHBondContact OE2-NE 3.27Å; E17-R20 IonicContact OE2-NH2 3.88Å; E17-R20 PolarHBondContact OE2-NH2 3.16Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 3.41Å; R20-K23 WeakPolarHBondContact O-CB 3.37Å; R20-K23 PolarHBondContact O-N 3.35Å; R20-E24 IonicContact CZ-OE1 2.71Å; R20-E24 IonicContact NH1-OE1 2.77Å; R20-E24 PolarHBondContact NH1-OE1 2.71Å; R20-E24 PolarHBondContact O-N 3.29Å |
| 21 | K | 97 | Very high | 97.3 | Very high | 39 Ų | 39 | 81.5 Ų | 81.5 | 17% | 0.17 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 177.3 | -64.4 | -61.2 | -178.8 | 84.6 | 0 | 112.7 | E17 K23 E24 F25 I36 F51 | E17-K21 WeakPolarHBondContact O-CG 3.47Å; E17-K21 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-E24 PolarHBondContact O-N 2.89Å; K21-F25 PolarHBondContact O-N 2.81Å; K21-I36 HydrophobicContact CB-CD1 3.8Å; K21-I36 HydrophobicContact CB-CG1 4.5Å; K21-I36 HydrophobicContact CD-CD1 4.43Å; K21-I36 HydrophobicContact CD-CG1 4.47Å; K21-I36 HydrophobicContact CG-CD1 3.9Å; K21-I36 HydrophobicContact CG-CG1 4.05Å; K21-F51 HydrophobicContact CB-CZ 4.23Å |
| 22 | F | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.009 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 173.9 | -177.8 | -102.5 | 0 | 0 | 0 | 113 | L18 E19 R20 E24 F25 K26 W50 F51 R54 R55 W58 | L18-F22 WeakPolarHBondContact O-CB 3.4Å; L18-F22 PolarHBondContact O-N 3.45Å; E19-F22 PolarHBondContact O-N 3.35Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 3.41Å; F22-E24 VanDerWaalsContact C-N 3.34Å; F22-F25 CarbonylContact O-C 3.41Å; F22-K26 HydrophobicContact CD1-CD 4.44Å; F22-K26 HydrophobicContact CE1-CD 3.94Å; F22-K26 HydrophobicContact CE2-CB 4.42Å; F22-K26 HydrophobicContact CE2-CD 4.04Å; F22-K26 HydrophobicContact CZ-CD 3.72Å; F22-K26 WeakPolarHBondContact O-CD 3.48Å; F22-K26 PolarHBondContact O-NZ 2.97Å; F22-W50 HydrophobicContact CB-CH2 4.18Å; F22-W50 HydrophobicContact CB-CZ3 3.98Å; F22-W50 HydrophobicContact CG-CZ3 4.43Å; F22-F51 HydrophobicContact CB-CE1 4.1Å; F22-F51 HydrophobicContact CB-CZ 4.28Å; F22-F51 AromaticContact CD2-CD1 3.87Å; F22-F51 HydrophobicContact CD2-CD1 3.87Å; F22-F51 AromaticContact CD2-CE1 3.87Å; F22-F51 HydrophobicContact CD2-CE1 3.87Å; F22-R54 HydrophobicContact CB-CG 4.41Å; F22-R54 HydrophobicContact CD1-CG 3.6Å; F22-R54 HydrophobicContact CD2-CB 4.32Å; F22-R54 HydrophobicContact CD2-CG 3.68Å; F22-R54 HydrophobicContact CE1-CG 3.69Å; F22-R54 HydrophobicContact CE2-CB 4.31Å; F22-R54 HydrophobicContact CE2-CG 3.76Å; F22-R54 HydrophobicContact CG-CG 3.61Å; F22-R54 HydrophobicContact CZ-CG 3.77Å; F22-R55 HydrophobicContact CE2-CG 3.82Å; F22-R55 HydrophobicContact CZ-CG 4.31Å; F22-W58 HydrophobicContact CE1-CB 4.33Å; F22-W58 HydrophobicContact CE1-CG 4.44Å; F22-W58 HydrophobicContact CZ-CB 4.07Å; F22-W58 HydrophobicContact CZ-CD2 4.46Å; F22-W58 HydrophobicContact CZ-CG 4.26Å |
| 23 | K | 96.4 | Very high | 97.3 | Very high | 147 Ų | 147 | 78.7 Ų | 78.7 | 64% | 0.639 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 173.5 | -72.2 | 173.8 | -176.6 | -180 | 0 | 110.7 | E19 R20 K21 K26 | E19-K23 WeakPolarHBondContact O-CG 3.33Å; E19-K23 PolarHBondContact O-N 3.43Å; R20-K23 WeakPolarHBondContact O-CB 3.37Å; R20-K23 PolarHBondContact O-N 3.35Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K23-K26 PolarHBondContact O-NZ 2.76Å |
| 24 | E | 96.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.6 | -49.7 | 177.2 | -62.2 | 167.4 | -149.4 | 0 | 0 | 112.3 | R20 K21 F22 | R20-E24 IonicContact CZ-OE1 2.71Å; R20-E24 IonicContact NH1-OE1 2.77Å; R20-E24 PolarHBondContact NH1-OE1 2.71Å; R20-E24 PolarHBondContact O-N 3.29Å; K21-E24 PolarHBondContact O-N 2.89Å; F22-E24 VanDerWaalsContact C-N 3.34Å |
| 25 | F | 96.1 | Very high | 97.3 | Very high | 90 Ų | 90 | 82 Ų | 82 | 40% | 0.395 | 37% | 0.369 | S | S | . | . | trans | -133.6 | 114.7 | -175.5 | -50.4 | -74.1 | 0 | 0 | 0 | 111.8 | K21 F22 Y27 L28 F51 | K21-F25 PolarHBondContact O-N 2.81Å; F22-F25 CarbonylContact O-C 3.41Å; F25-Y27 VanDerWaalsContact C-N 3.27Å; F25-Y27 PolarHBondContact O-N 2.77Å; F25-L28 HydrophobicContact CB-CD2 4.35Å; F25-F51 WeakPolarHBondContact O-CE1 3.46Å | ||
| 26 | K | 96.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 78.7 Ų | 78.7 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -71.3 | -23.4 | 178.6 | -53.8 | -59.1 | 166.8 | -148.9 | 0 | 113.5 | F22 K23 R55 | F22-K26 HydrophobicContact CD1-CD 4.44Å; F22-K26 HydrophobicContact CE1-CD 3.94Å; F22-K26 HydrophobicContact CE2-CB 4.42Å; F22-K26 HydrophobicContact CE2-CD 4.04Å; F22-K26 HydrophobicContact CZ-CD 3.72Å; F22-K26 WeakPolarHBondContact O-CD 3.48Å; F22-K26 PolarHBondContact O-NZ 2.97Å; K23-K26 PolarHBondContact O-NZ 2.76Å; K26-R55 WeakPolarHBondContact O-CD 3.42Å; K26-R55 PolarHBondContact O-NH1 3.06Å |
| 27 | Y | 97.9 | Very high | 97.3 | Very high | 160 Ų | 160 | 74 Ų | 74 | 63% | 0.627 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -131.8 | 130.2 | 179.9 | -61.1 | -94.9 | 0 | 0 | 0 | 108.2 | F25 | F25-Y27 VanDerWaalsContact C-N 3.27Å; F25-Y27 PolarHBondContact O-N 2.77Å |
| 28 | L | 96.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 74.9 Ų | 74.9 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | trans | -95.4 | 130.1 | 179.2 | -63.7 | 178.4 | 0 | 0 | 0 | 110.6 | F25 Q32 R33 I36 V47 F51 | F25-L28 HydrophobicContact CB-CD2 4.35Å; L28-Q32 HydrophobicContact CB-CB 4.44Å; L28-Q32 HydrophobicContact CD2-CB 4.01Å; L28-R33 HydrophobicContact CB-CB 4.41Å; L28-R33 HydrophobicContact CD1-CB 4.4Å; L28-I36 HydrophobicContact CD1-CD1 3.78Å; L28-I36 HydrophobicContact CD2-CD1 3.58Å; L28-I36 HydrophobicContact CG-CD1 4.34Å; L28-V47 HydrophobicContact CD1-CG1 3.58Å; L28-F51 HydrophobicContact CD1-CD1 3.94Å; L28-F51 HydrophobicContact CD1-CD2 3.48Å; L28-F51 VanDerWaalsContact CD1-CD2 3.48Å; L28-F51 HydrophobicContact CD1-CE1 3.82Å; L28-F51 HydrophobicContact CD1-CE2 3.4Å; L28-F51 HydrophobicContact CD1-CG 3.78Å; L28-F51 HydrophobicContact CD1-CZ 3.57Å; L28-F51 HydrophobicContact CD2-CD1 4.38Å; L28-F51 HydrophobicContact CD2-CE1 3.7Å; L28-F51 HydrophobicContact CD2-CE2 4.44Å; L28-F51 HydrophobicContact CD2-CZ 3.75Å; L28-F51 HydrophobicContact CG-CD1 3.7Å; L28-F51 HydrophobicContact CG-CD2 4.2Å; L28-F51 HydrophobicContact CG-CE1 3.51Å; L28-F51 HydrophobicContact CG-CE2 4.07Å; L28-F51 HydrophobicContact CG-CG 4.04Å; L28-F51 HydrophobicContact CG-CZ 3.73Å | ||
| 29 | S | 97.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 78.5 Ų | 78.5 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | trans | -69.1 | 169.8 | 162 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | P31 Q32 R33 | S29-P31 WeakPolarHBondContact OG-CD 3.28Å; S29-Q32 WeakPolarHBondContact OG-CG 3.26Å; S29-Q32 PolarHBondContact OG-OE1 3.1Å; S29-Q32 VanDerWaalsContact OG-OE1 3.13Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.87Å | ||
| 30 | R | 97.2 | Very high | 97.3 | Very high | 198 Ų | 198 | 77.3 Ų | 77.3 | 75% | 0.747 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 178.8 | -176 | 177 | 178.8 | -145.3 | -0.7 | 112.4 | R33 Y34 | R30-R33 PolarHBondContact O-N 2.91Å; R30-Y34 PolarHBondContact O-N 2.92Å; R30-Y34 VanDerWaalsContact O-N 3.11Å |
| 31 | P | 97.2 | Very high | 97.2 | Very high | 82 Ų | 82 | 77.4 Ų | 77.4 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.5 | -25.5 | 34.9 | 0 | 0 | 0 | 113.2 | S29 R33 Y34 E35 | S29-P31 WeakPolarHBondContact OG-CD 3.28Å; P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.43Å; P31-Y34 WeakPolarHBondContact O-CB 3.43Å; P31-Y34 PolarHBondContact O-N 2.95Å; P31-Y34 VanDerWaalsContact O-N 3.08Å; P31-E35 WeakPolarHBondContact O-CG 3.36Å; P31-E35 PolarHBondContact O-N 3.46Å |
| 32 | Q | 97 | Very high | 97.2 | Very high | 42 Ų | 42 | 76.5 Ų | 76.5 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 179.8 | -67.7 | 172.5 | -42 | 0 | 0 | 112.2 | L28 S29 I36 | L28-Q32 HydrophobicContact CB-CB 4.44Å; L28-Q32 HydrophobicContact CD2-CB 4.01Å; S29-Q32 WeakPolarHBondContact OG-CG 3.26Å; S29-Q32 PolarHBondContact OG-OE1 3.1Å; S29-Q32 VanDerWaalsContact OG-OE1 3.13Å; Q32-I36 WeakPolarHBondContact O-CD1 3.39Å; Q32-I36 VanDerWaalsContact O-CG1 3.24Å; Q32-I36 WeakPolarHBondContact O-CG1 3.41Å; Q32-I36 PolarHBondContact O-N 2.95Å; Q32-I36 VanDerWaalsContact O-N 3.09Å |
| 33 | R | 98 | Very high | 97.1 | Very high | 65 Ų | 65 | 79 Ų | 79 | 25% | 0.245 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.2 | -172.1 | -167.6 | -57.1 | 150.3 | 5.3 | 111.6 | L28 S29 R30 P31 A37 E44 V47 | L28-R33 HydrophobicContact CB-CB 4.41Å; L28-R33 HydrophobicContact CD1-CB 4.4Å; S29-R33 WeakPolarHBondContact O-CB 3.33Å; S29-R33 PolarHBondContact O-N 2.87Å; R30-R33 PolarHBondContact O-N 2.91Å; P31-R33 VanDerWaalsContact C-N 3.28Å; P31-R33 PolarHBondContact O-N 3.43Å; R33-A37 WeakPolarHBondContact O-CB 3.44Å; R33-A37 PolarHBondContact O-N 3.4Å; R33-E44 WeakPolarHBondContact CD-O 3.32Å; R33-E44 HydrophobicContact CG-CB 4.09Å; R33-E44 HydrophobicContact CG-CG 4.18Å; R33-V47 HydrophobicContact CG-CB 4.28Å; R33-V47 HydrophobicContact CG-CG1 4.22Å |
| 34 | Y | 98.1 | Very high | 97.2 | Very high | 140 Ų | 140 | 75.3 Ų | 75.3 | 55% | 0.549 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 177.2 | 176.9 | -97.7 | 0 | 0 | 0 | 111.2 | R30 P31 I36 A37 T38 | R30-Y34 PolarHBondContact O-N 2.92Å; R30-Y34 VanDerWaalsContact O-N 3.11Å; P31-Y34 WeakPolarHBondContact O-CB 3.43Å; P31-Y34 PolarHBondContact O-N 2.95Å; P31-Y34 VanDerWaalsContact O-N 3.08Å; Y34-I36 PolarHBondContact O-N 3.18Å; Y34-A37 WeakPolarHBondContact O-CB 3.42Å; Y34-A37 PolarHBondContact O-N 3.2Å; Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 2.99Å; Y34-T38 VanDerWaalsContact O-OG1 3.12Å |
| 35 | E | 97.8 | Very high | 97.2 | Very high | 117 Ų | 117 | 73.6 Ų | 73.6 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 177.6 | -71.4 | 171.5 | -164.3 | 0 | 0 | 112.5 | P31 A39 | P31-E35 WeakPolarHBondContact O-CG 3.36Å; P31-E35 PolarHBondContact O-N 3.46Å; E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.06Å |
| 36 | I | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.3 | -65 | 167.9 | 0 | 0 | 0 | 111.1 | L18 K21 L28 Q32 Y34 A39 L40 V47 F51 | L18-I36 HydrophobicContact CD2-CG2 3.98Å; K21-I36 HydrophobicContact CB-CD1 3.8Å; K21-I36 HydrophobicContact CB-CG1 4.5Å; K21-I36 HydrophobicContact CD-CD1 4.43Å; K21-I36 HydrophobicContact CD-CG1 4.47Å; K21-I36 HydrophobicContact CG-CD1 3.9Å; K21-I36 HydrophobicContact CG-CG1 4.05Å; L28-I36 HydrophobicContact CD1-CD1 3.78Å; L28-I36 HydrophobicContact CD2-CD1 3.58Å; L28-I36 HydrophobicContact CG-CD1 4.34Å; Q32-I36 WeakPolarHBondContact O-CD1 3.39Å; Q32-I36 VanDerWaalsContact O-CG1 3.24Å; Q32-I36 WeakPolarHBondContact O-CG1 3.41Å; Q32-I36 PolarHBondContact O-N 2.95Å; Q32-I36 VanDerWaalsContact O-N 3.09Å; Y34-I36 PolarHBondContact O-N 3.18Å; I36-A39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.47Å; I36-V47 HydrophobicContact CB-CG1 4.32Å; I36-V47 HydrophobicContact CG2-CG1 3.9Å; I36-V47 HydrophobicContact CG2-CG2 4.15Å; I36-F51 HydrophobicContact CD1-CE2 4.46Å; I36-F51 HydrophobicContact CD1-CZ 4.32Å |
| 37 | A | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R33 Y34 L40 S41 L42 E44 V47 | R33-A37 WeakPolarHBondContact O-CB 3.44Å; R33-A37 PolarHBondContact O-N 3.4Å; Y34-A37 WeakPolarHBondContact O-CB 3.42Å; Y34-A37 PolarHBondContact O-N 3.2Å; A37-L40 PolarHBondContact O-N 3.28Å; A37-S41 PolarHBondContact O-N 2.87Å; A37-S41 VanDerWaalsContact O-N 3.09Å; A37-L42 CarbonylContact C-O 3.59Å; A37-L42 WeakPolarHBondContact CA-O 3.14Å; A37-L42 VanDerWaalsContact CB-O 3.27Å; A37-L42 WeakPolarHBondContact CB-O 3.39Å; A37-L42 PolarHBondContact O-N 3.06Å; A37-L42 VanDerWaalsContact O-O 3.1Å; A37-E44 HydrophobicContact CB-CG 4.04Å; A37-V47 HydrophobicContact CB-CG2 4.1Å |
| 38 | T | 97.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 65.2 Ų | 65.2 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | Y34 L40 S41 | Y34-T38 PolarHBondContact O-N 2.88Å; Y34-T38 PolarHBondContact O-OG1 2.99Å; Y34-T38 VanDerWaalsContact O-OG1 3.12Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 2.96Å; T38-S41 PolarHBondContact O-N 3.38Å |
| 39 | A | 97.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 62% | 0.62 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64 | -31.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E35 I36 | E35-A39 VanDerWaalsContact O-CB 3.26Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.06Å; I36-A39 PolarHBondContact O-N 3.2Å |
| 40 | L | 96.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 4 | -176.9 | -60 | -176.3 | 0 | 0 | 0 | 113.9 | Q14 E17 L18 I36 A37 T38 L42 | Q14-L40 HydrophobicContact CG-CB 4.36Å; Q14-L40 PolarHBondContact NE2-O 3.28Å; E17-L40 HydrophobicContact CB-CD1 4.09Å; E17-L40 HydrophobicContact CB-CD2 3.59Å; E17-L40 HydrophobicContact CB-CG 4.44Å; E17-L40 HydrophobicContact CG-CD2 3.91Å; L18-L40 HydrophobicContact CD2-CD1 3.87Å; L18-L40 HydrophobicContact CG-CD1 3.7Å; I36-L40 HydrophobicContact CG2-CD1 3.78Å; I36-L40 HydrophobicContact CG2-CG 4.37Å; I36-L40 WeakPolarHBondContact O-CB 3.43Å; I36-L40 WeakPolarHBondContact O-CG 3.36Å; I36-L40 PolarHBondContact O-N 3.47Å; A37-L40 PolarHBondContact O-N 3.28Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 2.96Å; L40-L42 HydrophobicContact CB-CD1 4.04Å; L40-L42 HydrophobicContact CB-CG 4.02Å; L40-L42 HydrophobicContact CD1-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.98Å |
| 41 | S | 97 | Very high | 97.3 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 78% | 0.776 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.3 | -172.7 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | A37 T38 | A37-S41 PolarHBondContact O-N 2.87Å; A37-S41 VanDerWaalsContact O-N 3.09Å; T38-S41 PolarHBondContact O-N 3.38Å |
| 42 | L | 96.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | trans | -116.2 | 157.5 | 177.3 | -65 | 179.9 | 0 | 0 | 0 | 110.2 | F10 L18 A37 L40 Q46 V47 | F10-L42 HydrophobicContact CD1-CD1 3.92Å; F10-L42 HydrophobicContact CD1-CD2 3.83Å; F10-L42 HydrophobicContact CE1-CD1 3.84Å; F10-L42 HydrophobicContact CE1-CD2 3.81Å; F10-L42 HydrophobicContact CE1-CG 4.46Å; L18-L42 HydrophobicContact CD1-CD1 4.25Å; A37-L42 CarbonylContact C-O 3.59Å; A37-L42 WeakPolarHBondContact CA-O 3.14Å; A37-L42 VanDerWaalsContact CB-O 3.27Å; A37-L42 WeakPolarHBondContact CB-O 3.39Å; A37-L42 PolarHBondContact O-N 3.06Å; A37-L42 VanDerWaalsContact O-O 3.1Å; L40-L42 HydrophobicContact CB-CD1 4.04Å; L40-L42 HydrophobicContact CB-CG 4.02Å; L40-L42 HydrophobicContact CD1-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.98Å; L42-Q46 HydrophobicContact CB-CB 4.48Å; L42-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CD1-CG2 4.39Å | ||
| 43 | S | 96.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 60.8 Ų | 60.8 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | trans | -74.5 | 147.8 | 168 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | N45 Q46 V47 | S43-N45 PolarHBondContact O-N 2.96Å; S43-N45 VanDerWaalsContact O-N 3.09Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 3.46Å; S43-Q46 VanDerWaalsContact OG-CG 3.27Å; S43-Q46 WeakPolarHBondContact OG-CG 3.48Å; S43-Q46 PolarHBondContact OG-N 2.79Å; S43-Q46 PolarHBondContact OG-OE1 3.46Å; S43-V47 PolarHBondContact O-N 2.92Å; S43-V47 VanDerWaalsContact O-N 3.11Å | ||
| 44 | E | 97.8 | Very high | 97.3 | Very high | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -51 | -36.5 | 171.9 | -75.5 | -172.4 | 73.1 | 0 | 0 | 112.3 | R33 A37 V47 K48 | R33-E44 WeakPolarHBondContact CD-O 3.32Å; R33-E44 HydrophobicContact CG-CB 4.09Å; R33-E44 HydrophobicContact CG-CG 4.18Å; A37-E44 HydrophobicContact CB-CG 4.04Å; E44-V47 PolarHBondContact O-N 3.49Å; E44-K48 VanDerWaalsContact O-CB 3.27Å; E44-K48 WeakPolarHBondContact O-CB 3.24Å; E44-K48 PolarHBondContact O-N 3.36Å |
| 45 | N | 96.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 56 Ų | 56 | 32% | 0.316 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.7 | -174.5 | 62.8 | 0 | 0 | 0 | 112.5 | S43 K48 I49 | S43-N45 PolarHBondContact O-N 2.96Å; S43-N45 VanDerWaalsContact O-N 3.09Å; N45-K48 PolarHBondContact O-N 3.13Å; N45-K48 WeakPolarHBondContact OD1-CE 3.38Å; N45-K48 PolarHBondContact OD1-NZ 3.4Å; N45-I49 WeakPolarHBondContact ND2-CD1 3.4Å; N45-I49 WeakPolarHBondContact O-CB 3.38Å; N45-I49 VanDerWaalsContact O-CG1 3.27Å; N45-I49 WeakPolarHBondContact O-CG1 3.32Å; N45-I49 PolarHBondContact O-N 2.95Å |
| 46 | Q | 96.5 | Very high | 97.2 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 174.2 | -77.5 | 164.2 | -60 | 0 | 0 | 111.2 | F10 L42 S43 K48 I49 W50 | F10-Q46 HydrophobicContact CE1-CB 4.14Å; F10-Q46 HydrophobicContact CE1-CG 4.46Å; F10-Q46 HydrophobicContact CZ-CB 4.2Å; L42-Q46 HydrophobicContact CB-CB 4.48Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 3.46Å; S43-Q46 VanDerWaalsContact OG-CG 3.27Å; S43-Q46 WeakPolarHBondContact OG-CG 3.48Å; S43-Q46 PolarHBondContact OG-N 2.79Å; S43-Q46 PolarHBondContact OG-OE1 3.46Å; Q46-K48 VanDerWaalsContact C-N 3.35Å; Q46-K48 PolarHBondContact O-N 3.09Å; Q46-I49 PolarHBondContact O-N 3.46Å; Q46-W50 WeakPolarHBondContact O-CB 3.49Å; Q46-W50 PolarHBondContact O-N 3.31Å |
| 47 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | L18 L28 R33 I36 A37 L42 S43 E44 I49 W50 F51 | L18-V47 HydrophobicContact CD2-CG1 4.32Å; L28-V47 HydrophobicContact CD1-CG1 3.58Å; R33-V47 HydrophobicContact CG-CB 4.28Å; R33-V47 HydrophobicContact CG-CG1 4.22Å; I36-V47 HydrophobicContact CB-CG1 4.32Å; I36-V47 HydrophobicContact CG2-CG1 3.9Å; I36-V47 HydrophobicContact CG2-CG2 4.15Å; A37-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CB-CG2 4.1Å; L42-V47 HydrophobicContact CD1-CG2 4.39Å; S43-V47 PolarHBondContact O-N 2.92Å; S43-V47 VanDerWaalsContact O-N 3.11Å; E44-V47 PolarHBondContact O-N 3.49Å; V47-I49 PolarHBondContact O-N 3.06Å; V47-W50 PolarHBondContact O-N 3.22Å; V47-F51 HydrophobicContact CG1-CD2 3.85Å; V47-F51 HydrophobicContact CG1-CE2 3.97Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.91Å |
| 48 | K | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 65.9 Ų | 65.9 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.3 | -49.4 | 176.4 | -178 | -170.2 | 69.5 | -177 | 0 | 112.2 | E44 N45 Q46 F51 Q52 | E44-K48 VanDerWaalsContact O-CB 3.27Å; E44-K48 WeakPolarHBondContact O-CB 3.24Å; E44-K48 PolarHBondContact O-N 3.36Å; N45-K48 PolarHBondContact O-N 3.13Å; N45-K48 WeakPolarHBondContact OD1-CE 3.38Å; N45-K48 PolarHBondContact OD1-NZ 3.4Å; Q46-K48 VanDerWaalsContact C-N 3.35Å; Q46-K48 PolarHBondContact O-N 3.09Å; K48-F51 PolarHBondContact O-N 3.09Å; K48-Q52 PolarHBondContact O-N 3.38Å |
| 49 | I | 96.8 | Very high | 96.7 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 35% | 0.354 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 179.4 | -70 | 167.4 | 0 | 0 | 0 | 110.5 | N45 Q46 V47 F51 Q52 N53 | N45-I49 WeakPolarHBondContact ND2-CD1 3.4Å; N45-I49 WeakPolarHBondContact O-CB 3.38Å; N45-I49 VanDerWaalsContact O-CG1 3.27Å; N45-I49 WeakPolarHBondContact O-CG1 3.32Å; N45-I49 PolarHBondContact O-N 2.95Å; Q46-I49 PolarHBondContact O-N 3.46Å; V47-I49 PolarHBondContact O-N 3.06Å; I49-F51 PolarHBondContact O-N 3.24Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 2.9Å; I49-N53 PolarHBondContact O-N 3.37Å; I49-N53 PolarHBondContact O-ND2 2.92Å |
| 50 | W | 97.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 72 Ų | 72 | 10% | 0.102 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 177.4 | -173.1 | 99.6 | 0 | 0 | 0 | 111 | F10 L18 F22 Q46 V47 Q52 N53 R54 | F10-W50 AromaticContact CD2-CD1 3.75Å; F10-W50 HydrophobicContact CE2-CB 4.32Å; F10-W50 AromaticContact CE2-CD1 3.52Å; F10-W50 HydrophobicContact CE2-CG 4.29Å; L18-W50 VanDerWaalsContact C-CH2 3.46Å; L18-W50 HydrophobicContact CB-CD2 3.91Å; L18-W50 HydrophobicContact CB-CE3 3.92Å; L18-W50 HydrophobicContact CB-CH2 3.66Å; L18-W50 HydrophobicContact CB-CZ2 3.6Å; L18-W50 HydrophobicContact CB-CZ3 3.81Å; L18-W50 HydrophobicContact CD1-CD2 3.87Å; L18-W50 HydrophobicContact CD1-CG 3.83Å; L18-W50 HydrophobicContact CD2-CD2 4.27Å; L18-W50 HydrophobicContact CD2-CE3 4.15Å; L18-W50 HydrophobicContact CG-CD2 4.24Å; L18-W50 HydrophobicContact CG-CE3 4.42Å; L18-W50 WeakPolarHBondContact O-CH2 3.47Å; L18-W50 WeakPolarHBondContact O-CZ3 3.49Å; F22-W50 HydrophobicContact CB-CH2 4.18Å; F22-W50 HydrophobicContact CB-CZ3 3.98Å; F22-W50 HydrophobicContact CG-CZ3 4.43Å; Q46-W50 WeakPolarHBondContact O-CB 3.49Å; Q46-W50 PolarHBondContact O-N 3.31Å; V47-W50 PolarHBondContact O-N 3.22Å; W50-Q52 VanDerWaalsContact C-N 3.3Å; W50-Q52 PolarHBondContact O-N 3.48Å; W50-N53 PolarHBondContact O-N 2.95Å; W50-R54 HydrophobicContact CD2-CB 4.45Å; W50-R54 HydrophobicContact CE3-CB 3.96Å; W50-R54 HydrophobicContact CE3-CG 4.49Å; W50-R54 HydrophobicContact CH2-CB 3.95Å; W50-R54 HydrophobicContact CH2-CG 3.64Å; W50-R54 HydrophobicContact CZ2-CB 4.46Å; W50-R54 HydrophobicContact CZ2-CG 4.37Å; W50-R54 HydrophobicContact CZ3-CB 3.69Å; W50-R54 HydrophobicContact CZ3-CG 3.72Å; W50-R54 VanDerWaalsContact O-CB 3.3Å; W50-R54 WeakPolarHBondContact O-CB 3.42Å; W50-R54 PolarHBondContact O-N 3.02Å |
| 51 | F | 98.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.6 | -92.5 | -102.2 | 0 | 0 | 0 | 112.4 | L18 K21 F22 F25 L28 I36 V47 K48 I49 R54 R55 | L18-F51 HydrophobicContact CD2-CE2 4Å; K21-F51 HydrophobicContact CB-CZ 4.23Å; F22-F51 HydrophobicContact CB-CE1 4.1Å; F22-F51 HydrophobicContact CB-CZ 4.28Å; F22-F51 AromaticContact CD2-CD1 3.87Å; F22-F51 HydrophobicContact CD2-CD1 3.87Å; F22-F51 AromaticContact CD2-CE1 3.87Å; F22-F51 HydrophobicContact CD2-CE1 3.87Å; F25-F51 WeakPolarHBondContact O-CE1 3.46Å; L28-F51 HydrophobicContact CD1-CD1 3.94Å; L28-F51 HydrophobicContact CD1-CD2 3.48Å; L28-F51 VanDerWaalsContact CD1-CD2 3.48Å; L28-F51 HydrophobicContact CD1-CE1 3.82Å; L28-F51 HydrophobicContact CD1-CE2 3.4Å; L28-F51 HydrophobicContact CD1-CG 3.78Å; L28-F51 HydrophobicContact CD1-CZ 3.57Å; L28-F51 HydrophobicContact CD2-CD1 4.38Å; L28-F51 HydrophobicContact CD2-CE1 3.7Å; L28-F51 HydrophobicContact CD2-CE2 4.44Å; L28-F51 HydrophobicContact CD2-CZ 3.75Å; L28-F51 HydrophobicContact CG-CD1 3.7Å; L28-F51 HydrophobicContact CG-CD2 4.2Å; L28-F51 HydrophobicContact CG-CE1 3.51Å; L28-F51 HydrophobicContact CG-CE2 4.07Å; L28-F51 HydrophobicContact CG-CG 4.04Å; L28-F51 HydrophobicContact CG-CZ 3.73Å; I36-F51 HydrophobicContact CD1-CE2 4.46Å; I36-F51 HydrophobicContact CD1-CZ 4.32Å; V47-F51 HydrophobicContact CG1-CD2 3.85Å; V47-F51 HydrophobicContact CG1-CE2 3.97Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.91Å; K48-F51 PolarHBondContact O-N 3.09Å; I49-F51 PolarHBondContact O-N 3.24Å; F51-R54 PolarHBondContact O-N 3.27Å; F51-R55 WeakPolarHBondContact O-CG 3.17Å; F51-R55 PolarHBondContact O-N 3.33Å |
| 52 | Q | 97.5 | Very high | 94.9 | Very high | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 173.5 | -174.8 | 177.8 | 39.3 | 0 | 0 | 111.4 | K48 I49 W50 R54 R55 M56 | K48-Q52 PolarHBondContact O-N 3.38Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 2.9Å; W50-Q52 VanDerWaalsContact C-N 3.3Å; W50-Q52 PolarHBondContact O-N 3.48Å; Q52-R54 VanDerWaalsContact C-N 3.28Å; Q52-R54 PolarHBondContact O-N 3.35Å; Q52-R55 PolarHBondContact O-N 3.44Å; Q52-M56 WeakPolarHBondContact O-CG 3.49Å; Q52-M56 PolarHBondContact O-N 3.47Å |
| 53 | N | 97.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 77.8 Ų | 77.8 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 177.2 | -71.2 | -22.6 | 0 | 0 | 0 | 111.7 | I49 W50 M56 K57 | I49-N53 PolarHBondContact O-N 3.37Å; I49-N53 PolarHBondContact O-ND2 2.92Å; W50-N53 PolarHBondContact O-N 2.95Å; N53-M56 WeakPolarHBondContact O-CB 3.44Å; N53-M56 PolarHBondContact O-N 3.27Å; N53-K57 PolarHBondContact O-N 2.86Å |
| 54 | R | 97.8 | Very high | 92.1 | Very high | 48 Ų | 48 | 81.2 Ų | 81.2 | 18% | 0.181 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 178.8 | -176.1 | 64 | -170.2 | 93.2 | -4.6 | 112 | E19 F22 W50 F51 Q52 M56 K57 W58 | E19-R54 VanDerWaalsContact CD-NE 3.3Å; E19-R54 IonicContact OE1-CZ 3.04Å; E19-R54 VanDerWaalsContact OE1-CZ 3.28Å; E19-R54 IonicContact OE1-NE 3.82Å; E19-R54 PolarHBondContact OE1-NE 3.21Å; E19-R54 IonicContact OE1-NH2 3.72Å; E19-R54 PolarHBondContact OE1-NH2 2.95Å; E19-R54 WeakPolarHBondContact OE2-CD 3.41Å; E19-R54 IonicContact OE2-CZ 2.78Å; E19-R54 IonicContact OE2-NE 3.28Å; E19-R54 PolarHBondContact OE2-NE 3.43Å; E19-R54 IonicContact OE2-NH2 3.29Å; F22-R54 HydrophobicContact CB-CG 4.41Å; F22-R54 HydrophobicContact CD1-CG 3.6Å; F22-R54 HydrophobicContact CD2-CB 4.32Å; F22-R54 HydrophobicContact CD2-CG 3.68Å; F22-R54 HydrophobicContact CE1-CG 3.69Å; F22-R54 HydrophobicContact CE2-CB 4.31Å; F22-R54 HydrophobicContact CE2-CG 3.76Å; F22-R54 HydrophobicContact CG-CG 3.61Å; F22-R54 HydrophobicContact CZ-CG 3.77Å; W50-R54 HydrophobicContact CD2-CB 4.45Å; W50-R54 HydrophobicContact CE3-CB 3.96Å; W50-R54 HydrophobicContact CE3-CG 4.49Å; W50-R54 HydrophobicContact CH2-CB 3.95Å; W50-R54 HydrophobicContact CH2-CG 3.64Å; W50-R54 HydrophobicContact CZ2-CB 4.46Å; W50-R54 HydrophobicContact CZ2-CG 4.37Å; W50-R54 HydrophobicContact CZ3-CB 3.69Å; W50-R54 HydrophobicContact CZ3-CG 3.72Å; W50-R54 VanDerWaalsContact O-CB 3.3Å; W50-R54 WeakPolarHBondContact O-CB 3.42Å; W50-R54 PolarHBondContact O-N 3.02Å; F51-R54 PolarHBondContact O-N 3.27Å; Q52-R54 VanDerWaalsContact C-N 3.28Å; Q52-R54 PolarHBondContact O-N 3.35Å; R54-M56 VanDerWaalsContact C-N 3.33Å; R54-K57 PolarHBondContact O-N 3.46Å; R54-W58 WeakPolarHBondContact O-CB 3.27Å; R54-W58 PolarHBondContact O-N 3.08Å |
| 55 | R | 97.2 | Very high | 90.3 | Very high | 57 Ų | 57 | 83.2 Ų | 83.2 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 171.5 | -77.5 | -168.7 | -64.4 | -84.4 | -1.7 | 111.9 | F22 K26 F51 Q52 K57 W58 K59 | F22-R55 HydrophobicContact CE2-CG 3.82Å; F22-R55 HydrophobicContact CZ-CG 4.31Å; K26-R55 WeakPolarHBondContact O-CD 3.42Å; K26-R55 PolarHBondContact O-NH1 3.06Å; F51-R55 WeakPolarHBondContact O-CG 3.17Å; F51-R55 PolarHBondContact O-N 3.33Å; Q52-R55 PolarHBondContact O-N 3.44Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 2.86Å; R55-W58 PolarHBondContact O-N 3.28Å; R55-K59 WeakPolarHBondContact O-CB 3.44Å; R55-K59 PolarHBondContact O-N 3.33Å |
| 56 | M | 96.3 | Very high | 88.1 | Confident | 77 Ų | 77 | 87.2 Ų | 87.2 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.8 | -68.1 | -57.4 | -67.6 | 0 | 0 | 111.6 | Q52 N53 R54 R60 | Q52-M56 WeakPolarHBondContact O-CG 3.49Å; Q52-M56 PolarHBondContact O-N 3.47Å; N53-M56 WeakPolarHBondContact O-CB 3.44Å; N53-M56 PolarHBondContact O-N 3.27Å; R54-M56 VanDerWaalsContact C-N 3.33Å; M56-R60 VanDerWaalsContact O-CG 3.32Å; M56-R60 WeakPolarHBondContact O-CG 3.27Å; M56-R60 PolarHBondContact O-N 3.04Å |
| 57 | K | 94.1 | Very high | 86.1 | Confident | 139 Ų | 139 | 93.2 Ų | 93.2 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 174.8 | -174.1 | 178.2 | 178.8 | -176.3 | 0 | 112 | N53 R54 R55 R60 S61 | N53-K57 PolarHBondContact O-N 2.86Å; R54-K57 PolarHBondContact O-N 3.46Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 2.86Å; K57-R60 PolarHBondContact O-N 3.29Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.96Å |
| 58 | W | 94.7 | Very high | 83.9 | Confident | 118 Ų | 118 | 99 Ų | 99 | 45% | 0.447 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 178 | 176.2 | 54 | 0 | 0 | 0 | 111.7 | F22 R54 R55 R60 S61 A62 | F22-W58 HydrophobicContact CE1-CB 4.33Å; F22-W58 HydrophobicContact CE1-CG 4.44Å; F22-W58 HydrophobicContact CZ-CB 4.07Å; F22-W58 HydrophobicContact CZ-CD2 4.46Å; F22-W58 HydrophobicContact CZ-CG 4.26Å; R54-W58 WeakPolarHBondContact O-CB 3.27Å; R54-W58 PolarHBondContact O-N 3.08Å; R55-W58 PolarHBondContact O-N 3.28Å; W58-R60 PolarHBondContact O-N 3.11Å; W58-S61 PolarHBondContact O-N 3.11Å; W58-S61 VanDerWaalsContact O-N 3.16Å; W58-A62 PolarHBondContact O-N 2.93Å |
| 59 | K | 93.1 | Very high | 81.3 | Confident | 118 Ų | 118 | 101.7 Ų | 101.7 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 177.2 | -173.2 | 175.3 | 67.9 | 171.9 | 0 | 112.6 | R55 S61 A62 N63 | R55-K59 WeakPolarHBondContact O-CB 3.44Å; R55-K59 PolarHBondContact O-N 3.33Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.09Å; K59-A62 PolarHBondContact O-N 2.78Å; K59-N63 PolarHBondContact O-ND2 3.12Å |
| 60 | R | 90.2 | Very high | 79.2 | Confident | 170 Ų | 170 | 103.2 Ų | 103.2 | 64% | 0.642 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -36.8 | 176.3 | -74.8 | 176.9 | -177.2 | 171 | 0.8 | 112.1 | M56 K57 W58 A62 N63 I64 | M56-R60 VanDerWaalsContact O-CG 3.32Å; M56-R60 WeakPolarHBondContact O-CG 3.27Å; M56-R60 PolarHBondContact O-N 3.04Å; K57-R60 PolarHBondContact O-N 3.29Å; W58-R60 PolarHBondContact O-N 3.11Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 2.95Å; R60-N63 PolarHBondContact O-N 3.22Å; R60-I64 WeakPolarHBondContact O-CG1 3.15Å |
| 61 | S | 84.9 | Confident | 76.5 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 54% | 0.538 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.5 | -25.8 | 179.1 | -49 | 0 | 0 | 0 | 0 | 112.4 | K57 W58 K59 | K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.96Å; W58-S61 PolarHBondContact O-N 3.11Å; W58-S61 VanDerWaalsContact O-N 3.16Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 3.09Å |
| 62 | A | 79.5 | Confident | 74.3 | Confident | 79 Ų | 79 | 119.3 Ų | 119.3 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.7 | -17.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W58 K59 R60 | W58-A62 PolarHBondContact O-N 2.93Å; K59-A62 PolarHBondContact O-N 2.78Å; R60-A62 VanDerWaalsContact C-N 3.27Å; R60-A62 PolarHBondContact O-N 2.95Å |
| 63 | N | 68.7 | Low | 71.7 | Confident | 122 Ų | 122 | 118.8 Ų | 118.8 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -105.2 | 7.4 | -174.1 | -74.5 | -87.6 | 0 | 0 | 0 | 113.8 | K59 R60 P65 | K59-N63 PolarHBondContact O-ND2 3.12Å; R60-N63 PolarHBondContact O-N 3.22Å; N63-P65 WeakPolarHBondContact O-CD 3.27Å |
| 64 | I | 65.6 | Low | 69.5 | Low | 124 Ų | 124 | 120.4 Ų | 120.4 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | trans | -105.1 | 96.6 | 175.5 | -57.7 | 166.9 | 0 | 0 | 0 | 107 | R60 D66 | R60-I64 WeakPolarHBondContact O-CG1 3.15Å; I64-D66 PolarHBondContact O-N 2.95Å | ||
| 65 | P | 58.3 | Low | 67 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -63.8 | 127 | 166.4 | 25.9 | -31 | 0 | 0 | 0 | 108.9 | N63 K67 | N63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-K67 PolarHBondContact O-N 3.46Å | ||
| 66 | D | 51.6 | Low | 65 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -28 | 97.9 | 176.6 | -157.5 | -82.9 | 0 | 0 | 0 | 115.6 | I64 | I64-D66 PolarHBondContact O-N 2.95Š|
| 67 | K | 54.2 | Low | 62.6 | Low | 173 Ų | 173 | 130.4 Ų | 130.4 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | -153.1 | 100 | 161.3 | -69.3 | -68.2 | 165.3 | -82.5 | 0 | 110.5 | P65 | P65-K67 PolarHBondContact O-N 3.46Š| ||
| 68 | V | 51.1 | Low | 60.4 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 73% | 0.733 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 72.5 | 121.1 | 139.3 | -171.6 | 0 | 0 | 0 | 0 | 119.3 | ||
| 69 | N | 43.8 | Very low | 58.3 | Low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 73.7 | 93.2 | 161 | -75.2 | -13.7 | 0 | 0 | 0 | 119.9 | ||||
| 70 | A | 51.8 | Low | 56.2 | Low | 101 Ų | 101 | 130.2 Ų | 130.2 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -136.7 | 50.1 | 150 | 0 | 0 | 0 | 0 | 0 | 111.4 | R72 | A70-R72 PolarHBondContact O-N 3.17Š| ||
| 71 | D | 40.4 | Very low | 54.6 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | -68.3 | 83.5 | 150.3 | -167.5 | -98.2 | 0 | 0 | 0 | 107.6 | ||||
| 72 | R | 51.5 | Low | 53.4 | Low | 228 Ų | 228 | 130.1 Ų | 130.1 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -130.2 | 67.7 | 161.7 | -92.1 | -170.5 | 166.2 | -179 | -3.1 | 108.2 | A70 T74 | A70-R72 PolarHBondContact O-N 3.17Å; R72-T74 PolarHBondContact O-N 3.45Å | ||
| 73 | T | 43.5 | Very low | 52.2 | Low | 96 Ų | 96 | 130.9 Ų | 130.9 | 59% | 0.589 | 74% | 0.74 | S | S | * | * | trans | -12.9 | 94 | 140.6 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | T75 | T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 WeakPolarHBondContact CG2-OG1 3.27Å | ||
| 74 | T | 52 | Low | 51.5 | Low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -97.1 | 72.2 | 155.5 | -55.6 | 0 | 0 | 0 | 0 | 106.7 | R72 | R72-T74 PolarHBondContact O-N 3.45Š| ||
| 75 | T | 43.8 | Very low | 50.8 | Low | 101 Ų | 101 | 138.8 Ų | 138.8 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | trans | -109.5 | 85.3 | 166.2 | -38.4 | 0 | 0 | 0 | 0 | 105 | T73 T77 | T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 WeakPolarHBondContact CG2-OG1 3.27Å; T75-T77 WeakPolarHBondContact CG2-OG1 3.39Å; T75-T77 PolarHBondContact O-N 3.31Å | ||
| 76 | M | 55.5 | Low | 50.6 | Low | 187 Ų | 187 | 142.9 Ų | 142.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -78.8 | 93.7 | 166.6 | -76.4 | -155.8 | 144.8 | 0 | 0 | 107.2 | ||||
| 77 | T | 45.5 | Very low | 50.5 | Low | 104 Ų | 104 | 141.8 Ų | 141.8 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -132.1 | 125.4 | 168.4 | -22.9 | 0 | 0 | 0 | 0 | 108 | T75 | T75-T77 WeakPolarHBondContact CG2-OG1 3.39Å; T75-T77 PolarHBondContact O-N 3.31Å | ||
| 78 | T | 48.5 | Very low | 50.2 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 84.2 | 129.8 | 147.6 | -13.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 79 | T | 50.1 | Low | 50.3 | Low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | 80.3 | 89.5 | 148.7 | 32.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 80 | T | 50.6 | Low | 50.9 | Low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | -23.6 | 139.5 | 126.3 | -29.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 81 | T | 56.4 | Low | 50.8 | Low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 136.4 | 99.7 | 143.8 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 82 | T | 58.6 | Low | 51.5 | Low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | 66.1 | 129.6 | 128.9 | -61.9 | 0 | 0 | 0 | 0 | 123 | |||||
| 83 | S | 54.6 | Low | 51.4 | Low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | 82.4 | 108.1 | 147.3 | -84.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 84 | Q | 55.1 | Low | 52.1 | Low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | 55.4 | 111.6 | 122.2 | -57.8 | -163 | 13.6 | 0 | 0 | 119.4 | |||||
| 85 | R | 50.4 | Low | 52 | Low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | 175.3 | 128.2 | 112.4 | -91.6 | 164.8 | -169.2 | -132.4 | 4 | 110.9 | |||||
| 86 | K | 54 | Low | 52.8 | Low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -93.6 | 175.3 | 155.7 | -73.3 | -169.7 | 175.4 | -174.4 | 0 | 107.1 | ||||
| 87 | P | 49.4 | Very low | 52.9 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | cis | -152.2 | 174.4 | 21.8 | 45.5 | -24.1 | 0 | 0 | 0 | 119.2 | ||||
| 88 | N | 47.8 | Very low | 53.8 | Low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 68.1 | 118.5 | 137.5 | -151.5 | 56.2 | 0 | 0 | 0 | 123.5 | ||||
| 89 | A | 53.4 | Low | 54.1 | Low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -154.7 | 140.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 90 | Q | 55.3 | Low | 54.3 | Low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 146 | -169.1 | -66.1 | 154.4 | -12.3 | 0 | 0 | 113.5 | ||||
| 91 | T | 50.1 | Low | 55 | Low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -167.8 | 115.9 | 130.9 | 0.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 92 | T | 56.4 | Low | 55.3 | Low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 58.5 | 122.8 | 138.4 | 51.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 93 | T | 48.6 | Very low | 55.4 | Low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | -51.8 | 143.8 | 164.7 | 45.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 94 | T | 57.1 | Low | 56.1 | Low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -161.4 | 121.2 | 130 | 27.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | T | 51.3 | Low | 56.4 | Low | 140 Ų | 140 | 140.1 Ų | 140.1 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | trans | -74.4 | 132 | 170.8 | 16.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 96 | T | 60.4 | Low | 57.4 | Low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | trans | -151.5 | 102 | 155.7 | -62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 97 | T | 56.5 | Low | 58 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -21.9 | 135 | 147.2 | -56.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 98 | T | 65.3 | Low | 59.1 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | 170.1 | 134.1 | 133.2 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 99 | G | 54.1 | Low | 60 | Low | 63 Ų | 63 | 138.9 Ų | 138.9 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | trans | 119.4 | 52.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | M101 | G99-M101 PolarHBondContact O-N 3.43Å; G99-M101 VanDerWaalsContact O-N 3.17Å | ||
| 100 | A | 55.7 | Low | 60.1 | Low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -62.9 | 105.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L102 | A100-L102 PolarHBondContact O-N 3.31Š| ||
| 101 | M | 65.3 | Low | 60.4 | Low | 179 Ų | 179 | 143.7 Ų | 143.7 | 88% | 0.882 | 85% | 0.85 | S | S | * | * | trans | -87 | 91.8 | 167.8 | -89.8 | -93.5 | -166.2 | 0 | 0 | 108.7 | G99 L103 | G99-M101 PolarHBondContact O-N 3.43Å; G99-M101 VanDerWaalsContact O-N 3.17Å; M101-L103 PolarHBondContact O-N 3.19Å | ||
| 102 | L | 61.4 | Low | 60.9 | Low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 85% | 0.853 | S | S | * | * | trans | -60.2 | 115.5 | 166.9 | -166.3 | 74.2 | 0 | 0 | 0 | 109.2 | A100 | A100-L102 PolarHBondContact O-N 3.31Š| ||
| 103 | L | 62.1 | Low | 61.1 | Low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 130.3 | 167.6 | -102.7 | 82.6 | 0 | 0 | 0 | 109.4 | M101 | M101-L103 PolarHBondContact O-N 3.19Š|
| 104 | P | 68.7 | Low | 61.8 | Low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.2 | 177.8 | 27.2 | -31.4 | 0 | 0 | 0 | 112.7 | ||
| 105 | A | 61.1 | Low | 62.1 | Low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 106 | R | 72.3 | Confident | 62.7 | Low | 218 Ų | 218 | 146.3 Ų | 146.3 | 82% | 0.823 | 86% | 0.856 | S | S | * | * | trans | -92.7 | 102.5 | 176.7 | -168.3 | 173.1 | 165.4 | 169.3 | -3.6 | 109.2 | ||||
| 107 | S | 65.8 | Low | 62.9 | Low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 86% | 0.858 | S | S | * | * | trans | -77.1 | 129.7 | 166.2 | -170 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | Q | 71.7 | Confident | 63.4 | Low | 156 Ų | 156 | 148.6 Ų | 148.6 | 73% | 0.729 | 87% | 0.865 | S | S | * | * | trans | -131.8 | 122.4 | 158.1 | -77.5 | -150.1 | -20.9 | 0 | 0 | 109.1 | ||||
| 109 | F | 67.2 | Low | 63.2 | Low | 200 Ų | 200 | 149.3 Ų | 149.3 | 88% | 0.877 | 87% | 0.865 | S | S | * | * | trans | -52.8 | 141.8 | 174 | -94.6 | -108.9 | 0 | 0 | 0 | 112 | ||||
| 110 | Q | 56 | Low | 64 | Low | 191 Ų | 191 | 156.5 Ų | 156.5 | 89% | 0.893 | 88% | 0.883 | S | S | * | * | trans | -88.3 | 134.8 | 153.9 | -71.8 | 177.8 | 63.1 | 0 | 0 | 107.5 | ||||
| 111 | A | 60.5 | Low | 64.7 | Low | 178 Ų | 178 | 161.2 Ų | 161.2 | 100% | 1.471 | 88% | 0.884 | S | S | * | * | trans | -122.1 | 0 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.3 |
Retrieved 111 of 111 residues in 420.3 ms
(Link to these results)