| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57.2 | Low | 51.7 | Low | 222 Ų | 222 | 136.5 Ų | 136.5 | 100% | 1.094 | 80% | 0.803 | S | S | * | * | 0 | 89.1 | 0 | 30.6 | -176 | 159.6 | 0 | 0 | 108.8 | |||||
| 2 | F | 43.4 | Very low | 52.2 | Low | 209 Ų | 209 | 138 Ų | 138 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 121.9 | 159.8 | -75.2 | -73.7 | 0 | 0 | 0 | 107 | ||||
| 3 | T | 46.4 | Very low | 53.3 | Low | 138 Ų | 138 | 134.3 Ų | 134.3 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 131 | -168.9 | 23.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 4 | A | 53.2 | Low | 54.8 | Low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 135.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G6 | A4-G6 PolarHBondContact O-N 3.04Š|
| 5 | P | 54.1 | Low | 56.3 | Low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.1 | 167.4 | 24.9 | -28.8 | 0 | 0 | 0 | 106.6 | M7 | P5-M7 PolarHBondContact O-N 3.35Š|
| 6 | G | 54.9 | Low | 57.8 | Low | 69 Ų | 69 | 124.9 Ų | 124.9 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 134.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | A4 A8 | A4-G6 PolarHBondContact O-N 3.04Å; G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.4Å |
| 7 | M | 56 | Low | 59.2 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | trans | -52.4 | 96.6 | 164.9 | -74.4 | -178.6 | 178.3 | 0 | 0 | 108.7 | P5 T9 | P5-M7 PolarHBondContact O-N 3.35Å; M7-T9 PolarHBondContact O-N 3.18Å; M7-T9 VanDerWaalsContact O-N 3.17Å | ||
| 8 | A | 54.3 | Low | 60 | Low | 83 Ų | 83 | 117.8 Ų | 117.8 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | trans | -72.3 | 101.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | G6 T10 | G6-A8 VanDerWaalsContact C-N 3.29Å; G6-A8 PolarHBondContact O-N 3.4Å; A8-T10 VanDerWaalsContact C-N 3.26Å; A8-T10 PolarHBondContact O-N 2.87Å; A8-T10 PolarHBondContact O-OG1 3.3Å | ||
| 9 | T | 44.3 | Very low | 60.6 | Low | 132 Ų | 132 | 116.7 Ų | 116.7 | 81% | 0.81 | 67% | 0.671 | S | S | * | * | trans | -64.3 | 98 | 160.5 | 30.4 | 0 | 0 | 0 | 0 | 106.2 | M7 Q11 | M7-T9 PolarHBondContact O-N 3.18Å; M7-T9 VanDerWaalsContact O-N 3.17Å; T9-Q11 PolarHBondContact O-N 3.36Å | ||
| 10 | T | 50.3 | Low | 61.5 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | trans | -67.3 | 57.3 | 177.9 | -37.2 | 0 | 0 | 0 | 0 | 110.6 | A8 E12 | A8-T10 VanDerWaalsContact C-N 3.26Å; A8-T10 PolarHBondContact O-N 2.87Å; A8-T10 PolarHBondContact O-OG1 3.3Å; T10-E12 HydrophobicContact CG2-CB 4.19Å; T10-E12 HydrophobicContact CG2-CG 3.46Å; T10-E12 VanDerWaalsContact CG2-CG 3.46Å; T10-E12 PolarHBondContact O-N 3.1Å | ||
| 11 | Q | 54.6 | Low | 62 | Low | 147 Ų | 147 | 110.9 Ų | 110.9 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | trans | -76.9 | 69.7 | 151.7 | -119.7 | -170.8 | 14.9 | 0 | 0 | 105.8 | T9 R13 | T9-Q11 PolarHBondContact O-N 3.36Å; Q11-R13 PolarHBondContact O-N 3.17Å | ||
| 12 | E | 57.9 | Low | 63 | Low | 154 Ų | 154 | 106.4 Ų | 106.4 | 72% | 0.72 | 63% | 0.626 | S | S | * | * | trans | -64.2 | 86.2 | 171 | -83.7 | -177.3 | 150.2 | 0 | 0 | 107.5 | T10 P14 | T10-E12 HydrophobicContact CG2-CB 4.19Å; T10-E12 HydrophobicContact CG2-CG 3.46Å; T10-E12 VanDerWaalsContact CG2-CG 3.46Å; T10-E12 PolarHBondContact O-N 3.1Å; E12-P14 WeakPolarHBondContact O-CD 3.42Å | ||
| 13 | R | 66.3 | Low | 64.8 | Low | 90 Ų | 90 | 98.7 Ų | 98.7 | 34% | 0.34 | 60% | 0.599 | S | S | . | * | trans | -103.4 | 73.5 | 170.1 | -71.3 | 172.3 | 78.9 | 157.5 | 6.5 | 105.2 | Q11 Y15 S23 F24 | Q11-R13 PolarHBondContact O-N 3.17Å; R13-Y15 PolarHBondContact O-N 3.36Å; R13-S23 PolarHBondContact NE-O 3.44Å; R13-S23 PolarHBondContact NH2-O 3.34Å; R13-F24 CarbonylContact C-O 3.4Å; R13-F24 VanDerWaalsContact C-O 3.29Å; R13-F24 WeakPolarHBondContact CA-O 3.24Å; R13-F24 WeakPolarHBondContact CB-O 3.2Å | ||
| 14 | P | 74.9 | Confident | 66.4 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | trans | -63.9 | -15.2 | -171.7 | 27 | -35.4 | 0 | 0 | 0 | 112.2 | E12 | E12-P14 WeakPolarHBondContact O-CD 3.42Š| ||
| 15 | Y | 77 | Confident | 67.8 | Low | 99 Ų | 99 | 95.1 Ų | 95.1 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 90.6 | -179 | -56.3 | -70.9 | 0 | 0 | 0 | 110.2 | R13 S23 F24 Y26 S27 | R13-Y15 PolarHBondContact O-N 3.36Å; Y15-S23 CarbonylContact O-C 3.56Å; Y15-F24 PolarHBondContact N-O 2.8Å; Y15-F24 PolarHBondContact O-N 3.4Å; Y15-Y26 VanDerWaalsContact CD2-C 3.49Å; Y15-S27 VanDerWaalsContact CD2-N 3.28Å |
| 16 | S | 80.1 | Confident | 69.2 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141.6 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 17 | C | 80.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 95.2 Ų | 95.2 | 1% | 0.014 | 53% | 0.53 | C | S | . | . | trans | -77.5 | 124.1 | 174 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | V19 G21 K22 F24 L30 H33 E34 H37 | C17-V19 PolarHBondContact O-N 2.96Å; C17-V19 PolarHBondContact SG-N 3.07Å; C17-V19 VanDerWaalsContact SG-N 3.4Å; C17-G21 WeakPolarHBondContact O-CA 3.48Å; C17-G21 PolarHBondContact O-N 2.92Å; C17-K22 WeakPolarHBondContact CB-O 3.26Å; C17-K22 PolarHBondContact N-O 2.82Å; C17-F24 HydrophobicContact CB-CE2 4.34Å; C17-L30 VanDerWaalsContact CA-CD1 3.49Å; C17-L30 HydrophobicContact CB-CD1 3.66Å; C17-H33 VanDerWaalsContact SG-CD2 3.59Å; C17-E34 PolarHBondContact SG-OE1 3.03Å; C17-E34 VanDerWaalsContact SG-OE1 3.34Å; C17-H37 PolarHBondContact SG-CD2 3.11Å; C17-H37 PolarHBondContact SG-NE2 3.4Å | ||
| 18 | S | 74.6 | Confident | 71.5 | Confident | 119 Ų | 119 | 89.7 Ų | 89.7 | 83% | 0.832 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.1 | 178.6 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | E34 | S18-E34 PolarHBondContact N-OE1 3.32Š|
| 19 | V | 70.8 | Confident | 72.8 | Confident | 98 Ų | 98 | 87.8 Ų | 87.8 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -39.4 | -178 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | C17 H37 | C17-V19 PolarHBondContact O-N 2.96Å; C17-V19 PolarHBondContact SG-N 3.07Å; C17-V19 VanDerWaalsContact SG-N 3.4Å; V19-H37 HydrophobicContact CB-CB 4.45Å; V19-H37 HydrophobicContact CG1-CB 4.11Å; V19-H37 HydrophobicContact CG2-CB 4.38Å |
| 20 | C | 78.9 | Confident | 74.6 | Confident | 57 Ų | 57 | 82.6 Ų | 82.6 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 3.2 | -175.7 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | K22 H33 H37 | C20-K22 PolarHBondContact O-N 3.39Å; C20-H33 PolarHBondContact SG-NE2 3.27Å; C20-H37 PolarHBondContact SG-NE2 3.48Å |
| 21 | G | 72.9 | Confident | 76 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 56% | 0.557 | 46% | 0.455 | S | S | * | . | trans | 71.7 | 4.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C17 S23 | C17-G21 WeakPolarHBondContact O-CA 3.48Å; C17-G21 PolarHBondContact O-N 2.92Å; G21-S23 PolarHBondContact O-N 3.26Å | ||
| 22 | K | 77.5 | Confident | 77 | Confident | 127 Ų | 127 | 82 Ų | 82 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | trans | -71.3 | 122.5 | 177.3 | -74.9 | -178 | 179.1 | -180 | 0 | 110.8 | C17 C20 F24 | C17-K22 WeakPolarHBondContact CB-O 3.26Å; C17-K22 PolarHBondContact N-O 2.82Å; C20-K22 PolarHBondContact O-N 3.39Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.89Å; K22-F24 WeakPolarHBondContact O-CD2 3.37Å; K22-F24 VanDerWaalsContact O-CE2 3.26Å; K22-F24 WeakPolarHBondContact O-CE2 3.39Å | ||
| 23 | S | 80.5 | Confident | 78.1 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 34% | 0.336 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 155.2 | 173.3 | -36.7 | 0 | 0 | 0 | 0 | 110.7 | R13 Y15 G21 | R13-S23 PolarHBondContact NE-O 3.44Å; R13-S23 PolarHBondContact NH2-O 3.34Å; Y15-S23 CarbonylContact O-C 3.56Å; G21-S23 PolarHBondContact O-N 3.26Å |
| 24 | F | 81.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.8 | 174.4 | -62.5 | -85.2 | 0 | 0 | 0 | 110.4 | R13 Y15 C17 K22 V29 L30 H33 | R13-F24 CarbonylContact C-O 3.4Å; R13-F24 VanDerWaalsContact C-O 3.29Å; R13-F24 WeakPolarHBondContact CA-O 3.24Å; R13-F24 WeakPolarHBondContact CB-O 3.2Å; Y15-F24 PolarHBondContact N-O 2.8Å; Y15-F24 PolarHBondContact O-N 3.4Å; C17-F24 HydrophobicContact CB-CE2 4.34Å; K22-F24 HydrophobicContact CB-CE2 3.77Å; K22-F24 HydrophobicContact CB-CZ 3.89Å; K22-F24 WeakPolarHBondContact O-CD2 3.37Å; K22-F24 VanDerWaalsContact O-CE2 3.26Å; K22-F24 WeakPolarHBondContact O-CE2 3.39Å; F24-V29 HydrophobicContact CB-CB 4.49Å; F24-V29 HydrophobicContact CB-CG1 4.44Å; F24-V29 HydrophobicContact CD1-CB 4.42Å; F24-V29 HydrophobicContact CD1-CG1 3.53Å; F24-V29 HydrophobicContact CE1-CG1 4.1Å; F24-V29 HydrophobicContact CG-CG1 4.19Å; F24-L30 HydrophobicContact CB-CB 4.32Å; F24-L30 HydrophobicContact CD2-CB 4.08Å; F24-L30 HydrophobicContact CD2-CD1 3.72Å; F24-L30 HydrophobicContact CE2-CD1 4.07Å; F24-L30 HydrophobicContact CG-CB 4.46Å; F24-H33 HydrophobicContact CE1-CB 4.35Å; F24-H33 HydrophobicContact CE2-CB 3.9Å; F24-H33 AromaticContact CE2-CD2 3.36Å; F24-H33 WeakPolarHBondContact CE2-CD2 3.36Å; F24-H33 AromaticContact CE2-CG 3.52Å; F24-H33 AromaticContact CE2-NE2 3.86Å; F24-H33 HydrophobicContact CZ-CB 3.71Å; F24-H33 AromaticContact CZ-CD2 3.62Å; F24-H33 AromaticContact CZ-CE1 3.89Å; F24-H33 AromaticContact CZ-CG 3.32Å; F24-H33 AromaticContact CZ-ND1 3.52Å; F24-H33 AromaticContact CZ-NE2 3.93Å |
| 25 | Q | 81.6 | Confident | 78.4 | Confident | 121 Ų | 121 | 76.6 Ų | 76.6 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.3 | -26.7 | -178.9 | -169.3 | 176.9 | 14.3 | 0 | 0 | 112.6 | ||
| 26 | Y | 82.8 | Confident | 78 | Confident | 140 Ų | 140 | 74.6 Ų | 74.6 | 55% | 0.549 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -128.3 | 138.2 | -175.5 | -55.9 | -76.7 | 0 | 0 | 0 | 111.5 | Y15 A28 V29 L30 | Y15-Y26 VanDerWaalsContact CD2-C 3.49Å; Y26-A28 VanDerWaalsContact C-N 3.28Å; Y26-A28 PolarHBondContact O-N 3.03Å; Y26-V29 HydrophobicContact CD2-CG2 4.3Å; Y26-V29 PolarHBondContact O-N 2.7Å; Y26-V29 VanDerWaalsContact O-N 3.08Å; Y26-L30 PolarHBondContact O-N 3.37Å; Y26-L30 VanDerWaalsContact O-N 3.09Å |
| 27 | S | 80.2 | Confident | 77.5 | Confident | 59 Ų | 59 | 75 Ų | 75 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 176.2 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | Y15 V29 L30 L31 | Y15-S27 VanDerWaalsContact CD2-N 3.28Å; S27-V29 VanDerWaalsContact C-N 3.26Å; S27-V29 PolarHBondContact O-N 3.41Å; S27-L30 PolarHBondContact O-N 3.36Å; S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.97Å |
| 28 | A | 80.2 | Confident | 76.7 | Confident | 70 Ų | 70 | 78 Ų | 78 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.5 | -34.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y26 R32 | Y26-A28 VanDerWaalsContact C-N 3.28Å; Y26-A28 PolarHBondContact O-N 3.03Å; A28-R32 WeakPolarHBondContact O-CB 3.29Å; A28-R32 PolarHBondContact O-N 2.68Å; A28-R32 VanDerWaalsContact O-N 3.11Å |
| 29 | V | 80.4 | Confident | 75.9 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.5 | -41.9 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | F24 Y26 S27 R32 H33 | F24-V29 HydrophobicContact CB-CB 4.49Å; F24-V29 HydrophobicContact CB-CG1 4.44Å; F24-V29 HydrophobicContact CD1-CB 4.42Å; F24-V29 HydrophobicContact CD1-CG1 3.53Å; F24-V29 HydrophobicContact CE1-CG1 4.1Å; F24-V29 HydrophobicContact CG-CG1 4.19Å; Y26-V29 HydrophobicContact CD2-CG2 4.3Å; Y26-V29 PolarHBondContact O-N 2.7Å; Y26-V29 VanDerWaalsContact O-N 3.08Å; S27-V29 VanDerWaalsContact C-N 3.26Å; S27-V29 PolarHBondContact O-N 3.41Å; V29-R32 PolarHBondContact O-N 2.81Å; V29-H33 VanDerWaalsContact O-CB 3.32Å; V29-H33 WeakPolarHBondContact O-CB 3.37Å; V29-H33 PolarHBondContact O-N 2.71Å |
| 30 | L | 83.4 | Confident | 75.2 | Confident | 22 Ų | 22 | 74 Ų | 74 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 171.7 | 174.1 | 66 | 0 | 0 | 0 | 110.9 | C17 F24 Y26 S27 R32 H33 E34 | C17-L30 VanDerWaalsContact CA-CD1 3.49Å; C17-L30 HydrophobicContact CB-CD1 3.66Å; F24-L30 HydrophobicContact CB-CB 4.32Å; F24-L30 HydrophobicContact CD2-CB 4.08Å; F24-L30 HydrophobicContact CD2-CD1 3.72Å; F24-L30 HydrophobicContact CE2-CD1 4.07Å; F24-L30 HydrophobicContact CG-CB 4.46Å; Y26-L30 PolarHBondContact O-N 3.37Å; Y26-L30 VanDerWaalsContact O-N 3.09Å; S27-L30 PolarHBondContact O-N 3.36Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.59Å; L30-H33 CarbonylContact O-C 3.34Å; L30-H33 WeakPolarHBondContact O-CA 3.32Å; L30-H33 VanDerWaalsContact O-CB 3.29Å; L30-H33 WeakPolarHBondContact O-CB 3.36Å; L30-H33 PolarHBondContact O-N 2.74Å; L30-E34 HydrophobicContact CD1-CG 3.85Å; L30-E34 HydrophobicContact CG-CG 4.2Å; L30-E34 WeakPolarHBondContact O-CG 3.16Å; L30-E34 PolarHBondContact O-N 3.29Å |
| 31 | L | 79.3 | Confident | 74.2 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.5 | -27.2 | -176.3 | -150.2 | 143.4 | 0 | 0 | 0 | 112.6 | S27 R35 | S27-L31 VanDerWaalsContact O-CB 3.3Å; S27-L31 WeakPolarHBondContact O-CB 3.45Å; S27-L31 PolarHBondContact O-N 2.97Å; L31-R35 VanDerWaalsContact CD2-NH2 3.26Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 PolarHBondContact O-NE 3.44Å |
| 32 | R | 76.4 | Confident | 73.6 | Confident | 138 Ų | 138 | 79.5 Ų | 79.5 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.4 | -40.9 | 168 | -177.6 | 175.3 | 67.1 | -166.8 | 1.5 | 111.5 | A28 V29 L30 R35 A36 | A28-R32 WeakPolarHBondContact O-CB 3.29Å; A28-R32 PolarHBondContact O-N 2.68Å; A28-R32 VanDerWaalsContact O-N 3.11Å; V29-R32 PolarHBondContact O-N 2.81Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.59Å; R32-R35 PolarHBondContact O-N 3.36Å; R32-A36 PolarHBondContact O-N 2.76Å |
| 33 | H | 80.6 | Confident | 72.9 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.5 | 171.2 | 77.6 | 0 | 0 | 0 | 112 | C17 C20 F24 V29 L30 R35 A36 H37 | C17-H33 VanDerWaalsContact SG-CD2 3.59Å; C20-H33 PolarHBondContact SG-NE2 3.27Å; F24-H33 HydrophobicContact CE1-CB 4.35Å; F24-H33 HydrophobicContact CE2-CB 3.9Å; F24-H33 AromaticContact CE2-CD2 3.36Å; F24-H33 WeakPolarHBondContact CE2-CD2 3.36Å; F24-H33 AromaticContact CE2-CG 3.52Å; F24-H33 AromaticContact CE2-NE2 3.86Å; F24-H33 HydrophobicContact CZ-CB 3.71Å; F24-H33 AromaticContact CZ-CD2 3.62Å; F24-H33 AromaticContact CZ-CE1 3.89Å; F24-H33 AromaticContact CZ-CG 3.32Å; F24-H33 AromaticContact CZ-ND1 3.52Å; F24-H33 AromaticContact CZ-NE2 3.93Å; V29-H33 VanDerWaalsContact O-CB 3.32Å; V29-H33 WeakPolarHBondContact O-CB 3.37Å; V29-H33 PolarHBondContact O-N 2.71Å; L30-H33 CarbonylContact O-C 3.34Å; L30-H33 WeakPolarHBondContact O-CA 3.32Å; L30-H33 VanDerWaalsContact O-CB 3.29Å; L30-H33 WeakPolarHBondContact O-CB 3.36Å; L30-H33 PolarHBondContact O-N 2.74Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.02Å; H33-A36 WeakPolarHBondContact O-CA 3.17Å; H33-A36 VanDerWaalsContact O-CB 3.24Å; H33-A36 WeakPolarHBondContact O-CB 3.47Å; H33-A36 PolarHBondContact O-N 2.95Å; H33-H37 AromaticContact CD2-CD2 3.96Å; H33-H37 AromaticContact CD2-NE2 3.65Å; H33-H37 AromaticContact CE1-NE2 3.48Å; H33-H37 PolarHBondContact CE1-NE2 3.29Å; H33-H37 AromaticContact NE2-CD2 3.69Å; H33-H37 AromaticContact NE2-CE1 3.84Å; H33-H37 AromaticContact NE2-NE2 2.92Å; H33-H37 PolarHBondContact NE2-NE2 2.81Å; H33-H37 PolarHBondContact O-N 2.92Å |
| 34 | E | 75.4 | Confident | 71.9 | Confident | 72 Ų | 72 | 76.8 Ų | 76.8 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 177.5 | -63.3 | -150.6 | 127 | 0 | 0 | 112.5 | C17 S18 L30 A36 H37 G38 | C17-E34 PolarHBondContact SG-OE1 3.03Å; C17-E34 VanDerWaalsContact SG-OE1 3.34Å; S18-E34 PolarHBondContact N-OE1 3.32Å; L30-E34 HydrophobicContact CD1-CG 3.85Å; L30-E34 HydrophobicContact CG-CG 4.2Å; L30-E34 WeakPolarHBondContact O-CG 3.16Å; L30-E34 PolarHBondContact O-N 3.29Å; E34-A36 PolarHBondContact O-N 2.95Å; E34-H37 WeakPolarHBondContact O-CB 3.17Å; E34-H37 PolarHBondContact O-N 3.48Å; E34-G38 PolarHBondContact O-N 3.24Å |
| 35 | R | 72.3 | Confident | 71.4 | Confident | 111 Ų | 111 | 75.7 Ų | 75.7 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -24.8 | 169.2 | -84.9 | -174.4 | -82.4 | -168 | -9.6 | 113.6 | L31 R32 H33 | L31-R35 VanDerWaalsContact CD2-NH2 3.26Å; L31-R35 PolarHBondContact O-N 3.5Å; L31-R35 PolarHBondContact O-NE 3.44Å; R32-R35 PolarHBondContact O-N 3.36Å; H33-R35 VanDerWaalsContact C-N 3.32Å; H33-R35 PolarHBondContact O-N 3.02Å |
| 36 | A | 67.6 | Low | 70.6 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.3 | -29.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R32 H33 E34 G39 | R32-A36 PolarHBondContact O-N 2.76Å; H33-A36 WeakPolarHBondContact O-CA 3.17Å; H33-A36 VanDerWaalsContact O-CB 3.24Å; H33-A36 WeakPolarHBondContact O-CB 3.47Å; H33-A36 PolarHBondContact O-N 2.95Å; E34-A36 PolarHBondContact O-N 2.95Å; A36-G39 PolarHBondContact O-N 3.08Å |
| 37 | H | 69.1 | Low | 69.9 | Low | 74 Ų | 74 | 77.2 Ų | 77.2 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 174.6 | -74.3 | -56.7 | 0 | 0 | 0 | 112.8 | C17 V19 C20 H33 E34 G39 | C17-H37 PolarHBondContact SG-CD2 3.11Å; C17-H37 PolarHBondContact SG-NE2 3.4Å; V19-H37 HydrophobicContact CB-CB 4.45Å; V19-H37 HydrophobicContact CG1-CB 4.11Å; V19-H37 HydrophobicContact CG2-CB 4.38Å; C20-H37 PolarHBondContact SG-NE2 3.48Å; H33-H37 AromaticContact CD2-CD2 3.96Å; H33-H37 AromaticContact CD2-NE2 3.65Å; H33-H37 AromaticContact CE1-NE2 3.48Å; H33-H37 PolarHBondContact CE1-NE2 3.29Å; H33-H37 AromaticContact NE2-CD2 3.69Å; H33-H37 AromaticContact NE2-CE1 3.84Å; H33-H37 AromaticContact NE2-NE2 2.92Å; H33-H37 PolarHBondContact NE2-NE2 2.81Å; H33-H37 PolarHBondContact O-N 2.92Å; E34-H37 WeakPolarHBondContact O-CB 3.17Å; E34-H37 PolarHBondContact O-N 3.48Å; H37-G39 PolarHBondContact O-N 3.28Å |
| 38 | G | 65.4 | Low | 69.4 | Low | 65 Ų | 65 | 77.7 Ų | 77.7 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 0.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E34 D40 | E34-G38 PolarHBondContact O-N 3.24Å; G38-D40 PolarHBondContact O-N 3.09Å |
| 39 | G | 58.2 | Low | 68.7 | Low | 50 Ų | 50 | 76.4 Ų | 76.4 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 16.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A36 H37 K41 | A36-G39 PolarHBondContact O-N 3.08Å; H37-G39 PolarHBondContact O-N 3.28Å; G39-K41 PolarHBondContact O-N 3.31Å |
| 40 | D | 54.6 | Low | 68.1 | Low | 81 Ų | 81 | 79 Ų | 79 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | trans | -74.4 | 62.5 | 176.8 | -156.3 | -103.2 | 0 | 0 | 0 | 108.2 | G38 R42 | G38-D40 PolarHBondContact O-N 3.09Å; D40-R42 WeakPolarHBondContact O-CG 3.14Å; D40-R42 PolarHBondContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.02Å; D40-R42 WeakPolarHBondContact OD1-CD 3.1Å; D40-R42 WeakPolarHBondContact OD1-CG 3.3Å; D40-R42 IonicContact OD1-NE 3.48Å; D40-R42 PolarHBondContact OD1-NE 3.33Å | ||
| 41 | K | 58.5 | Low | 67.2 | Low | 105 Ų | 105 | 85.1 Ų | 85.1 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | trans | -75.9 | 69 | 159.7 | -71.3 | 161.3 | 156.1 | -140.5 | 0 | 106 | G39 F43 R51 C52 | G39-K41 PolarHBondContact O-N 3.31Å; K41-F43 PolarHBondContact O-N 3.43Å; K41-F43 VanDerWaalsContact O-N 3.08Å; K41-R51 HydrophobicContact CB-CB 3.49Å; K41-R51 VanDerWaalsContact CB-CB 3.49Å; K41-R51 HydrophobicContact CB-CG 4.36Å; K41-R51 HydrophobicContact CD-CB 3.62Å; K41-R51 WeakPolarHBondContact CD-O 3.44Å; K41-R51 WeakPolarHBondContact CE-O 3.48Å; K41-R51 HydrophobicContact CG-CB 4.11Å; K41-R51 WeakPolarHBondContact CG-O 3.08Å; K41-R51 PolarHBondContact NZ-O 2.86Å; K41-C52 CarbonylContact C-O 3.29Å; K41-C52 WeakPolarHBondContact CA-O 3.45Å; K41-C52 WeakPolarHBondContact CB-O 3.48Å | ||
| 42 | R | 61 | Low | 66.7 | Low | 123 Ų | 123 | 81 Ų | 81 | 46% | 0.464 | 43% | 0.426 | S | S | . | . | trans | -58.3 | -17.4 | -179.4 | 25.1 | -177.8 | 166.4 | 172.5 | 4.1 | 112.6 | D40 | D40-R42 WeakPolarHBondContact O-CG 3.14Å; D40-R42 PolarHBondContact O-N 3.08Å; D40-R42 WeakPolarHBondContact OD1-CB 3.02Å; D40-R42 WeakPolarHBondContact OD1-CD 3.1Å; D40-R42 WeakPolarHBondContact OD1-CG 3.3Å; D40-R42 IonicContact OD1-NE 3.48Å; D40-R42 PolarHBondContact OD1-NE 3.33Å | ||
| 43 | F | 62.6 | Low | 66.1 | Low | 68 Ų | 68 | 76.2 Ų | 76.2 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 100 | 179.8 | -58.9 | -74.3 | 0 | 0 | 0 | 109.1 | K41 C52 A55 L58 | K41-F43 PolarHBondContact O-N 3.43Å; K41-F43 VanDerWaalsContact O-N 3.08Å; F43-C52 HydrophobicContact CB-CB 4.5Å; F43-C52 PolarHBondContact N-O 2.79Å; F43-C52 PolarHBondContact O-N 3.33Å; F43-A55 HydrophobicContact CD1-CB 3.96Å; F43-A55 HydrophobicContact CD2-CB 4.39Å; F43-A55 VanDerWaalsContact CD2-N 3.28Å; F43-A55 HydrophobicContact CE1-CB 3.63Å; F43-A55 HydrophobicContact CE2-CB 4.09Å; F43-A55 HydrophobicContact CG-CB 4.32Å; F43-A55 HydrophobicContact CZ-CB 3.7Å; F43-L58 HydrophobicContact CB-CB 3.67Å; F43-L58 HydrophobicContact CB-CD2 3.6Å; F43-L58 HydrophobicContact CB-CG 4.13Å; F43-L58 HydrophobicContact CD1-CD2 4.44Å; F43-L58 HydrophobicContact CG-CD2 4.49Å |
| 44 | C | 59.8 | Low | 65.4 | Low | 49 Ų | 49 | 80.4 Ų | 80.4 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.1 | 177.9 | -161 | 0 | 0 | 0 | 0 | 109.9 | E50 R51 | C44-E50 CarbonylContact C-O 3.49Å; C44-E50 WeakPolarHBondContact CA-O 3.41Å; C44-R51 HydrophobicContact CB-CG 4.23Å |
| 45 | C | 70.6 | Confident | 65.1 | Low | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.034 | 43% | 0.432 | C | S | . | . | trans | -73.9 | 123.6 | 169.2 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | E47 G49 E50 L58 H61 | C45-E47 VanDerWaalsContact C-N 3.29Å; C45-G49 WeakPolarHBondContact O-CA 3.05Å; C45-G49 PolarHBondContact O-N 2.85Å; C45-E50 HydrophobicContact CB-CB 4.3Å; C45-E50 WeakPolarHBondContact CB-O 3.42Å; C45-E50 PolarHBondContact N-O 3.46Å; C45-L58 HydrophobicContact CB-CD1 3.69Å; C45-L58 VanDerWaalsContact N-CD1 3.34Å; C45-H61 WeakPolarHBondContact CB-NE2 3.29Å; C45-H61 PolarHBondContact SG-CD2 3.44Å; C45-H61 PolarHBondContact SG-NE2 3.25Å | ||
| 46 | L | 64.9 | Low | 65 | Low | 174 Ų | 174 | 76.8 Ų | 76.8 | 91% | 0.911 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.6 | 178.3 | -67.7 | 169.4 | 0 | 0 | 0 | 112.4 | ||
| 47 | E | 66.6 | Low | 65.1 | Low | 119 Ų | 119 | 76 Ų | 76 | 56% | 0.556 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -32.6 | -178.4 | -63.9 | -178.6 | 90.8 | 0 | 0 | 112.4 | C45 R62 | C45-E47 VanDerWaalsContact C-N 3.29Å; E47-R62 IonicContact OE2-NE 3.65Å |
| 48 | C | 70.6 | Confident | 65.4 | Low | 69 Ų | 69 | 74 Ų | 74 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -1 | 179.2 | 68 | 0 | 0 | 0 | 0 | 115.2 | E50 H61 H65 | C48-E50 PolarHBondContact O-N 2.96Å; C48-E50 VanDerWaalsContact SG-CB 3.56Å; C48-H61 PolarHBondContact SG-CE1 3.19Å; C48-H61 PolarHBondContact SG-NE2 3.4Å; C48-H65 PolarHBondContact SG-NE2 3Å; C48-H65 VanDerWaalsContact SG-NE2 3.36Å |
| 49 | G | 64.7 | Low | 65.8 | Low | 42 Ų | 42 | 79.2 Ų | 79.2 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | trans | 75.7 | 5.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C45 R51 | C45-G49 WeakPolarHBondContact O-CA 3.05Å; C45-G49 PolarHBondContact O-N 2.85Å; G49-R51 PolarHBondContact O-N 3.35Å | ||
| 50 | E | 68.1 | Low | 66.4 | Low | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | trans | -66.3 | 133.1 | 179.2 | -168.4 | 173.1 | 110.1 | 0 | 0 | 110.8 | C44 C45 C48 H61 | C44-E50 CarbonylContact C-O 3.49Å; C44-E50 WeakPolarHBondContact CA-O 3.41Å; C45-E50 HydrophobicContact CB-CB 4.3Å; C45-E50 WeakPolarHBondContact CB-O 3.42Å; C45-E50 PolarHBondContact N-O 3.46Å; C48-E50 PolarHBondContact O-N 2.96Å; C48-E50 VanDerWaalsContact SG-CB 3.56Å; E50-H61 VanDerWaalsContact CB-CE1 3.44Å; E50-H61 WeakPolarHBondContact CB-CE1 3.41Å; E50-H61 IonicContact OE1-CE1 3.35Å; E50-H61 PolarHBondContact OE1-CE1 2.79Å; E50-H61 IonicContact OE1-CG 3.73Å; E50-H61 IonicContact OE1-ND1 2.79Å; E50-H61 PolarHBondContact OE1-ND1 3.35Å; E50-H61 IonicContact OE2-CE1 3.46Å; E50-H61 PolarHBondContact OE2-CE1 2.74Å; E50-H61 IonicContact OE2-ND1 3.65Å | ||
| 51 | R | 65.8 | Low | 67.4 | Low | 151 Ų | 151 | 74.5 Ų | 74.5 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 119.8 | -174.8 | -81.8 | -169.5 | 165.4 | 98.8 | -3.4 | 109.4 | K41 C44 G49 | K41-R51 HydrophobicContact CB-CB 3.49Å; K41-R51 VanDerWaalsContact CB-CB 3.49Å; K41-R51 HydrophobicContact CB-CG 4.36Å; K41-R51 HydrophobicContact CD-CB 3.62Å; K41-R51 WeakPolarHBondContact CD-O 3.44Å; K41-R51 WeakPolarHBondContact CE-O 3.48Å; K41-R51 HydrophobicContact CG-CB 4.11Å; K41-R51 WeakPolarHBondContact CG-O 3.08Å; K41-R51 PolarHBondContact NZ-O 2.86Å; C44-R51 HydrophobicContact CB-CG 4.23Å; G49-R51 PolarHBondContact O-N 3.35Å |
| 52 | C | 67.1 | Low | 68 | Low | 12 Ų | 12 | 77.2 Ų | 77.2 | 8% | 0.081 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.7 | 179.1 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | K41 F43 D57 L58 | K41-C52 CarbonylContact C-O 3.29Å; K41-C52 WeakPolarHBondContact CA-O 3.45Å; K41-C52 WeakPolarHBondContact CB-O 3.48Å; F43-C52 HydrophobicContact CB-CB 4.5Å; F43-C52 PolarHBondContact N-O 2.79Å; F43-C52 PolarHBondContact O-N 3.33Å; C52-D57 HydrophobicContact CB-CB 3.9Å; C52-L58 HydrophobicContact CB-CB 4.1Å |
| 53 | A | 64.7 | Low | 68.5 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -79.4 | -18.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 54 | R | 66.4 | Low | 68.7 | Low | 126 Ų | 126 | 77 Ų | 77 | 48% | 0.475 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -130.7 | 147 | -178.6 | -61.7 | 174.4 | -73.3 | 174.9 | 0.5 | 111 | A56 D57 L58 | R54-A56 PolarHBondContact O-N 2.73Å; R54-D57 HydrophobicContact CB-CB 4.37Å; R54-D57 WeakPolarHBondContact CB-OD2 3.43Å; R54-D57 IonicContact CZ-OD1 3.39Å; R54-D57 IonicContact CZ-OD2 3.25Å; R54-D57 VanDerWaalsContact CZ-OD2 3.25Å; R54-D57 IonicContact NE-OD1 3.53Å; R54-D57 IonicContact NE-OD2 2.73Å; R54-D57 PolarHBondContact NE-OD2 3.33Å; R54-D57 VanDerWaalsContact NH2-CG 3.33Å; R54-D57 IonicContact NH2-OD1 2.88Å; R54-D57 PolarHBondContact NH2-OD1 3.18Å; R54-D57 IonicContact NH2-OD2 2.98Å; R54-D57 PolarHBondContact NH2-OD2 3.16Å; R54-D57 PolarHBondContact O-N 2.98Å; R54-L58 PolarHBondContact O-N 2.93Å |
| 55 | A | 68 | Low | 69.2 | Low | 46 Ų | 46 | 78.4 Ų | 78.4 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F43 L58 R59 | F43-A55 HydrophobicContact CD1-CB 3.96Å; F43-A55 HydrophobicContact CD2-CB 4.39Å; F43-A55 VanDerWaalsContact CD2-N 3.28Å; F43-A55 HydrophobicContact CE1-CB 3.63Å; F43-A55 HydrophobicContact CE2-CB 4.09Å; F43-A55 HydrophobicContact CG-CB 4.32Å; F43-A55 HydrophobicContact CZ-CB 3.7Å; A55-L58 PolarHBondContact O-N 3.36Å; A55-R59 VanDerWaalsContact O-CB 3.31Å; A55-R59 WeakPolarHBondContact O-CB 3.39Å; A55-R59 PolarHBondContact O-N 3.43Å |
| 56 | A | 69.8 | Low | 68.9 | Low | 61 Ų | 61 | 81.2 Ų | 81.2 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R54 R59 A60 | R54-A56 PolarHBondContact O-N 2.73Å; A56-R59 PolarHBondContact O-N 3.06Å; A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.23Å |
| 57 | D | 70.5 | Confident | 68.8 | Low | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.219 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.7 | -62 | -27.5 | 0 | 0 | 0 | 110.6 | C52 R54 A60 H61 | C52-D57 HydrophobicContact CB-CB 3.9Å; R54-D57 HydrophobicContact CB-CB 4.37Å; R54-D57 WeakPolarHBondContact CB-OD2 3.43Å; R54-D57 IonicContact CZ-OD1 3.39Å; R54-D57 IonicContact CZ-OD2 3.25Å; R54-D57 VanDerWaalsContact CZ-OD2 3.25Å; R54-D57 IonicContact NE-OD1 3.53Å; R54-D57 IonicContact NE-OD2 2.73Å; R54-D57 PolarHBondContact NE-OD2 3.33Å; R54-D57 VanDerWaalsContact NH2-CG 3.33Å; R54-D57 IonicContact NH2-OD1 2.88Å; R54-D57 PolarHBondContact NH2-OD1 3.18Å; R54-D57 IonicContact NH2-OD2 2.98Å; R54-D57 PolarHBondContact NH2-OD2 3.16Å; R54-D57 PolarHBondContact O-N 2.98Å; D57-A60 PolarHBondContact O-N 2.88Å; D57-H61 VanDerWaalsContact O-CB 3.24Å; D57-H61 WeakPolarHBondContact O-CB 3.24Å; D57-H61 PolarHBondContact O-N 3.4Å |
| 58 | L | 75.7 | Confident | 68.2 | Low | 33 Ų | 33 | 76.1 Ų | 76.1 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 176 | -179.1 | 68 | 0 | 0 | 0 | 112 | F43 C45 C52 R54 A55 H61 R62 | F43-L58 HydrophobicContact CB-CB 3.67Å; F43-L58 HydrophobicContact CB-CD2 3.6Å; F43-L58 HydrophobicContact CB-CG 4.13Å; F43-L58 HydrophobicContact CD1-CD2 4.44Å; F43-L58 HydrophobicContact CG-CD2 4.49Å; C45-L58 HydrophobicContact CB-CD1 3.69Å; C45-L58 VanDerWaalsContact N-CD1 3.34Å; C52-L58 HydrophobicContact CB-CB 4.1Å; R54-L58 PolarHBondContact O-N 2.93Å; A55-L58 PolarHBondContact O-N 3.36Å; L58-H61 PolarHBondContact O-N 3.28Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 2.83Å |
| 59 | R | 73.6 | Confident | 67.3 | Low | 174 Ų | 174 | 78.6 Ų | 78.6 | 66% | 0.657 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 176.8 | -174.1 | -178.7 | -64.2 | 179.7 | -1.3 | 110 | A55 A56 R62 W63 | A55-R59 VanDerWaalsContact O-CB 3.31Å; A55-R59 WeakPolarHBondContact O-CB 3.39Å; A55-R59 PolarHBondContact O-N 3.43Å; A56-R59 PolarHBondContact O-N 3.06Å; R59-R62 PolarHBondContact O-N 3.45Å; R59-W63 PolarHBondContact O-N 3.41Å |
| 60 | A | 71.1 | Confident | 67.1 | Low | 13 Ų | 13 | 77.7 Ų | 77.7 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A56 D57 R62 W63 T64 L70 | A56-A60 VanDerWaalsContact O-CB 3.29Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.23Å; D57-A60 PolarHBondContact O-N 2.88Å; A60-R62 VanDerWaalsContact C-N 3.28Å; A60-R62 PolarHBondContact O-N 3.05Å; A60-W63 WeakPolarHBondContact O-CB 3.19Å; A60-W63 PolarHBondContact O-N 2.9Å; A60-T64 PolarHBondContact O-N 2.87Å; A60-L70 HydrophobicContact CB-CD1 3.62Å; A60-L70 HydrophobicContact CB-CD2 4.13Å; A60-L70 VanDerWaalsContact O-CD1 3.31Å; A60-L70 WeakPolarHBondContact O-CD1 3.39Å |
| 61 | H | 75.4 | Confident | 66.7 | Low | 18 Ų | 18 | 79 Ų | 79 | 8% | 0.083 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.9 | -40.1 | 174.9 | 172 | 93.5 | 0 | 0 | 0 | 112.8 | C45 C48 E50 D57 L58 W63 T64 H65 | C45-H61 WeakPolarHBondContact CB-NE2 3.29Å; C45-H61 PolarHBondContact SG-CD2 3.44Å; C45-H61 PolarHBondContact SG-NE2 3.25Å; C48-H61 PolarHBondContact SG-CE1 3.19Å; C48-H61 PolarHBondContact SG-NE2 3.4Å; E50-H61 VanDerWaalsContact CB-CE1 3.44Å; E50-H61 WeakPolarHBondContact CB-CE1 3.41Å; E50-H61 IonicContact OE1-CE1 3.35Å; E50-H61 PolarHBondContact OE1-CE1 2.79Å; E50-H61 IonicContact OE1-CG 3.73Å; E50-H61 IonicContact OE1-ND1 2.79Å; E50-H61 PolarHBondContact OE1-ND1 3.35Å; E50-H61 IonicContact OE2-CE1 3.46Å; E50-H61 PolarHBondContact OE2-CE1 2.74Å; E50-H61 IonicContact OE2-ND1 3.65Å; D57-H61 VanDerWaalsContact O-CB 3.24Å; D57-H61 WeakPolarHBondContact O-CB 3.24Å; D57-H61 PolarHBondContact O-N 3.4Å; L58-H61 PolarHBondContact O-N 3.28Å; H61-W63 PolarHBondContact O-N 3.19Å; H61-T64 PolarHBondContact O-N 2.83Å; H61-T64 PolarHBondContact O-OG1 3.2Å; H61-H65 AromaticContact CD2-CD2 3.83Å; H61-H65 AromaticContact CD2-NE2 3.73Å; H61-H65 AromaticContact CE1-NE2 3.57Å; H61-H65 AromaticContact NE2-CD2 3.51Å; H61-H65 AromaticContact NE2-NE2 2.93Å; H61-H65 PolarHBondContact NE2-NE2 3.49Å; H61-H65 PolarHBondContact O-CD2 3.04Å |
| 62 | R | 70.8 | Confident | 66.2 | Low | 162 Ų | 162 | 75.7 Ų | 75.7 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.9 | -26 | 177.9 | -165.3 | 173.6 | 177 | -165.6 | -5.3 | 112.7 | E47 L58 R59 A60 T64 H65 A66 | E47-R62 IonicContact OE2-NE 3.65Å; L58-R62 WeakPolarHBondContact O-CB 3.31Å; L58-R62 PolarHBondContact O-N 2.83Å; R59-R62 PolarHBondContact O-N 3.45Å; A60-R62 VanDerWaalsContact C-N 3.28Å; A60-R62 PolarHBondContact O-N 3.05Å; R62-T64 VanDerWaalsContact C-N 3.34Å; R62-H65 PolarHBondContact O-N 3.36Å; R62-A66 PolarHBondContact O-N 2.06Å |
| 63 | W | 71.2 | Confident | 65.7 | Low | 122 Ų | 122 | 75.8 Ų | 75.8 | 46% | 0.462 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -75.6 | -25.1 | 178 | -72.8 | 38.8 | 0 | 0 | 0 | 112.3 | R59 A60 H61 H65 A66 G67 Q68 | R59-W63 PolarHBondContact O-N 3.41Å; A60-W63 WeakPolarHBondContact O-CB 3.19Å; A60-W63 PolarHBondContact O-N 2.9Å; H61-W63 PolarHBondContact O-N 3.19Å; W63-H65 VanDerWaalsContact C-N 3.31Å; W63-A66 CarbonylContact O-C 3.59Å; W63-A66 PolarHBondContact O-N 3.31Å; W63-G67 PolarHBondContact O-N 3.37Å; W63-G67 VanDerWaalsContact O-N 3.12Å; W63-Q68 HydrophobicContact CE3-CB 4.03Å; W63-Q68 PolarHBondContact O-N 3.39Å; W63-Q68 VanDerWaalsContact O-N 3.08Å |
| 64 | T | 68 | Low | 65.2 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -31.7 | 171.3 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | A60 H61 R62 G67 L70 | A60-T64 PolarHBondContact O-N 2.87Å; H61-T64 PolarHBondContact O-N 2.83Å; H61-T64 PolarHBondContact O-OG1 3.2Å; R62-T64 VanDerWaalsContact C-N 3.34Å; T64-G67 PolarHBondContact O-N 3.38Å; T64-L70 HydrophobicContact CG2-CD1 4.11Å |
| 65 | H | 68.8 | Low | 64.6 | Low | 80 Ų | 80 | 83.6 Ų | 83.6 | 37% | 0.37 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 170.8 | -69.9 | -69.7 | 0 | 0 | 0 | 112.3 | C48 H61 R62 W63 G67 | C48-H65 PolarHBondContact SG-NE2 3Å; C48-H65 VanDerWaalsContact SG-NE2 3.36Å; H61-H65 AromaticContact CD2-CD2 3.83Å; H61-H65 AromaticContact CD2-NE2 3.73Å; H61-H65 AromaticContact CE1-NE2 3.57Å; H61-H65 AromaticContact NE2-CD2 3.51Å; H61-H65 AromaticContact NE2-NE2 2.93Å; H61-H65 PolarHBondContact NE2-NE2 3.49Å; H61-H65 PolarHBondContact O-CD2 3.04Å; R62-H65 PolarHBondContact O-N 3.36Å; W63-H65 VanDerWaalsContact C-N 3.31Å; H65-G67 PolarHBondContact O-N 2.82Å |
| 66 | A | 66.1 | Low | 64 | Low | 63 Ų | 63 | 84.3 Ų | 84.3 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -5.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R62 W63 Q68 | R62-A66 PolarHBondContact O-N 2.06Å; W63-A66 CarbonylContact O-C 3.59Å; W63-A66 PolarHBondContact O-N 3.31Å; A66-Q68 HydrophobicContact CB-CG 4.3Å; A66-Q68 PolarHBondContact O-N 2.92Å; A66-Q68 VanDerWaalsContact O-N 3.14Å |
| 67 | G | 61.4 | Low | 63.3 | Low | 65 Ų | 65 | 84.2 Ų | 84.2 | 67% | 0.67 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 14 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W63 T64 H65 T69 | W63-G67 PolarHBondContact O-N 3.37Å; W63-G67 VanDerWaalsContact O-N 3.12Å; T64-G67 PolarHBondContact O-N 3.38Å; H65-G67 PolarHBondContact O-N 2.82Å; G67-T69 PolarHBondContact O-N 2.71Å |
| 68 | Q | 53.8 | Low | 62.6 | Low | 121 Ų | 121 | 87.4 Ų | 87.4 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | trans | -92.2 | 107.1 | 179.4 | -66.1 | -165.6 | -84.7 | 0 | 0 | 108.5 | W63 A66 L70 | W63-Q68 HydrophobicContact CE3-CB 4.03Å; W63-Q68 PolarHBondContact O-N 3.39Å; W63-Q68 VanDerWaalsContact O-N 3.08Å; A66-Q68 HydrophobicContact CB-CG 4.3Å; A66-Q68 PolarHBondContact O-N 2.92Å; A66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-L70 PolarHBondContact O-N 3.12Å | ||
| 69 | T | 52 | Low | 61.9 | Low | 121 Ų | 121 | 88.5 Ų | 88.5 | 74% | 0.742 | 48% | 0.479 | S | S | * | . | trans | -43.9 | 113 | -170.9 | 46.9 | 0 | 0 | 0 | 0 | 114.1 | G67 | G67-T69 PolarHBondContact O-N 2.71Š| ||
| 70 | L | 61.7 | Low | 61.2 | Low | 24 Ų | 24 | 81.9 Ų | 81.9 | 13% | 0.126 | 46% | 0.455 | C | S | . | . | trans | -73.2 | 163.4 | 141.8 | -68.6 | 170.3 | 0 | 0 | 0 | 108.6 | A60 T64 Q68 I72 F80 | A60-L70 HydrophobicContact CB-CD1 3.62Å; A60-L70 HydrophobicContact CB-CD2 4.13Å; A60-L70 VanDerWaalsContact O-CD1 3.31Å; A60-L70 WeakPolarHBondContact O-CD1 3.39Å; T64-L70 HydrophobicContact CG2-CD1 4.11Å; Q68-L70 PolarHBondContact O-N 3.12Å; L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 HydrophobicContact CB-CG1 4.44Å; L70-I72 WeakPolarHBondContact O-CG1 3.41Å; L70-I72 PolarHBondContact O-N 2.99Å; L70-F80 WeakPolarHBondContact CB-O 3.35Å | ||
| 71 | Y | 59.4 | Low | 60.5 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 98.2 | 168 | -72.4 | -83.5 | 0 | 0 | 0 | 106.9 | F80 S83 L86 | Y71-F80 PolarHBondContact N-O 3.32Å; Y71-F80 WeakPolarHBondContact O-CD2 2.93Å; Y71-F80 PolarHBondContact O-N 3.18Å; Y71-S83 VanDerWaalsContact CZ-CB 3.46Å; Y71-L86 HydrophobicContact CD1-CD2 4.02Å; Y71-L86 HydrophobicContact CG-CD2 4.3Å |
| 72 | I | 54.2 | Low | 59.7 | Low | 82 Ų | 82 | 89.8 Ų | 89.8 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.9 | -178.7 | -54.1 | 159 | 0 | 0 | 0 | 107.2 | L70 S74 Q78 | L70-I72 VanDerWaalsContact C-N 3.33Å; L70-I72 HydrophobicContact CB-CG1 4.44Å; L70-I72 WeakPolarHBondContact O-CG1 3.41Å; L70-I72 PolarHBondContact O-N 2.99Å; I72-S74 PolarHBondContact O-N 3.26Å; I72-Q78 WeakPolarHBondContact CA-O 3.31Å |
| 73 | C | 56.7 | Low | 59 | Low | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.088 | 49% | 0.486 | C | S | . | . | trans | -69 | 115.2 | 169.9 | 152.7 | 0 | 0 | 0 | 0 | 108.9 | E75 C76 G77 Q78 F80 L86 H89 | C73-E75 PolarHBondContact O-N 3.41Å; C73-C76 HydrophobicContact CB-CB 4.49Å; C73-C76 WeakPolarHBondContact CB-SG 3.42Å; C73-C76 PolarHBondContact O-N 3.24Å; C73-C76 WeakPolarHBondContact SG-CB 3.44Å; C73-C76 PolarHBondContact SG-N 2.98Å; C73-C76 CovalentContact SG-SG 2.06Å; C73-C76 PolarHBondContact SG-SG 3.38Å; C73-G77 WeakPolarHBondContact O-CA 3.45Å; C73-G77 PolarHBondContact O-N 3.19Å; C73-Q78 PolarHBondContact N-O 3.28Å; C73-F80 HydrophobicContact CB-CE2 4.07Å; C73-L86 HydrophobicContact CB-CD1 3.6Å; C73-H89 PolarHBondContact SG-NE2 3.08Å | ||
| 74 | S | 54.7 | Low | 58.4 | Low | 130 Ų | 130 | 81.4 Ų | 81.4 | 91% | 0.909 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.2 | -179.6 | -67.4 | 0 | 0 | 0 | 0 | 113.6 | I72 | I72-S74 PolarHBondContact O-N 3.26Š|
| 75 | E | 53.8 | Low | 58.1 | Low | 197 Ų | 197 | 82.9 Ų | 82.9 | 92% | 0.921 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -26.6 | -179.5 | -66.1 | -121.3 | 97.9 | 0 | 0 | 113 | C73 | C73-E75 PolarHBondContact O-N 3.41Š|
| 76 | C | 54.9 | Low | 57.8 | Low | 61 Ų | 61 | 81.2 Ų | 81.2 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | -10 | -166.1 | 66 | 0 | 0 | 0 | 0 | 113.9 | C73 Q78 H89 | C73-C76 HydrophobicContact CB-CB 4.49Å; C73-C76 WeakPolarHBondContact CB-SG 3.42Å; C73-C76 PolarHBondContact O-N 3.24Å; C73-C76 WeakPolarHBondContact SG-CB 3.44Å; C73-C76 PolarHBondContact SG-N 2.98Å; C73-C76 CovalentContact SG-SG 2.06Å; C73-C76 PolarHBondContact SG-SG 3.38Å; C76-Q78 PolarHBondContact O-N 3.43Å; C76-Q78 VanDerWaalsContact O-N 3.16Å; C76-H89 PolarHBondContact SG-NE2 3.21Å |
| 77 | G | 55.7 | Low | 57.5 | Low | 58 Ų | 58 | 85.4 Ų | 85.4 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | trans | 68.4 | 7.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C73 | C73-G77 WeakPolarHBondContact O-CA 3.45Å; C73-G77 PolarHBondContact O-N 3.19Å | ||
| 78 | Q | 55.2 | Low | 57.4 | Low | 109 Ų | 109 | 89.7 Ų | 89.7 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | trans | -75.8 | 133.7 | 177 | -78.4 | -171.1 | -31.4 | 0 | 0 | 111.2 | I72 C73 C76 F80 | I72-Q78 WeakPolarHBondContact CA-O 3.31Å; C73-Q78 PolarHBondContact N-O 3.28Å; C76-Q78 PolarHBondContact O-N 3.43Å; C76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-F80 HydrophobicContact CB-CE2 3.86Å; Q78-F80 HydrophobicContact CB-CZ 4Å | ||
| 79 | S | 60.8 | Low | 57.8 | Low | 56 Ų | 56 | 90 Ų | 90 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.3 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 80 | F | 60.2 | Low | 58.1 | Low | 35 Ų | 35 | 88.5 Ų | 88.5 | 15% | 0.154 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.8 | -179 | -61.7 | -87.4 | 0 | 0 | 0 | 112.7 | L70 Y71 C73 Q78 H82 L85 L86 H89 | L70-F80 WeakPolarHBondContact CB-O 3.35Å; Y71-F80 PolarHBondContact N-O 3.32Å; Y71-F80 WeakPolarHBondContact O-CD2 2.93Å; Y71-F80 PolarHBondContact O-N 3.18Å; C73-F80 HydrophobicContact CB-CE2 4.07Å; Q78-F80 HydrophobicContact CB-CE2 3.86Å; Q78-F80 HydrophobicContact CB-CZ 4Å; F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 3.28Å; F80-L85 HydrophobicContact CB-CB 4.28Å; F80-L85 HydrophobicContact CD1-CB 3.89Å; F80-L85 HydrophobicContact CG-CB 4.39Å; F80-L86 HydrophobicContact CB-CB 4.46Å; F80-L86 HydrophobicContact CD2-CB 4.14Å; F80-L86 HydrophobicContact CD2-CD1 3.78Å; F80-L86 HydrophobicContact CE2-CD1 3.93Å; F80-L86 HydrophobicContact CG-CB 4.43Å; F80-H89 HydrophobicContact CE1-CB 4.39Å; F80-H89 HydrophobicContact CE2-CB 4.23Å; F80-H89 AromaticContact CE2-CD2 3.98Å; F80-H89 AromaticContact CE2-CG 3.93Å; F80-H89 HydrophobicContact CZ-CB 3.84Å; F80-H89 AromaticContact CZ-CD2 3.91Å; F80-H89 AromaticContact CZ-CG 3.48Å; F80-H89 VanDerWaalsContact CZ-CG 3.48Å; F80-H89 AromaticContact CZ-ND1 3.63Å |
| 81 | S | 56.4 | Low | 57.9 | Low | 62 Ų | 62 | 91.8 Ų | 91.8 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -76.1 | -13.7 | -178.2 | -33.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 82 | H | 57.3 | Low | 57.9 | Low | 134 Ų | 134 | 89.9 Ų | 89.9 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -144.3 | 144.5 | -178.3 | -91.2 | -92.4 | 0 | 0 | 0 | 110 | F80 G84 L85 | F80-H82 VanDerWaalsContact C-N 3.3Å; F80-H82 PolarHBondContact O-N 3.28Å; H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 3.29Å; H82-L85 HydrophobicContact CB-CD1 4.43Å; H82-L85 PolarHBondContact O-N 3.48Å |
| 83 | S | 56.3 | Low | 58.1 | Low | 59 Ų | 59 | 90.4 Ų | 90.4 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.5 | -43 | 176.5 | 49 | 0 | 0 | 0 | 0 | 112.9 | Y71 L85 L86 D87 | Y71-S83 VanDerWaalsContact CZ-CB 3.46Å; S83-L85 PolarHBondContact O-N 3.12Å; S83-L86 WeakPolarHBondContact O-CB 3.49Å; S83-L86 PolarHBondContact O-N 2.94Å; S83-D87 PolarHBondContact O-N 3.45Å |
| 84 | G | 59.8 | Low | 58.2 | Low | 50 Ų | 50 | 95.3 Ų | 95.3 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.4 | -17.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H82 | H82-G84 VanDerWaalsContact C-N 3.32Å; H82-G84 PolarHBondContact O-N 3.29Å |
| 85 | L | 61 | Low | 58.4 | Low | 95 Ų | 95 | 92.9 Ų | 92.9 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -84.2 | -25.4 | 172.1 | -76.8 | 168.8 | 0 | 0 | 0 | 112.3 | F80 H82 S83 H89 | F80-L85 HydrophobicContact CB-CB 4.28Å; F80-L85 HydrophobicContact CD1-CB 3.89Å; F80-L85 HydrophobicContact CG-CB 4.39Å; H82-L85 HydrophobicContact CB-CD1 4.43Å; H82-L85 PolarHBondContact O-N 3.48Å; S83-L85 PolarHBondContact O-N 3.12Å; L85-H89 WeakPolarHBondContact O-CB 3.42Å |
| 86 | L | 62.9 | Low | 58.7 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -75.9 | -39.3 | 169.3 | 178.5 | 69.4 | 0 | 0 | 0 | 110.7 | Y71 C73 F80 S83 L88 H89 | Y71-L86 HydrophobicContact CD1-CD2 4.02Å; Y71-L86 HydrophobicContact CG-CD2 4.3Å; C73-L86 HydrophobicContact CB-CD1 3.6Å; F80-L86 HydrophobicContact CB-CB 4.46Å; F80-L86 HydrophobicContact CD2-CB 4.14Å; F80-L86 HydrophobicContact CD2-CD1 3.78Å; F80-L86 HydrophobicContact CE2-CD1 3.93Å; F80-L86 HydrophobicContact CG-CB 4.43Å; S83-L86 WeakPolarHBondContact O-CB 3.49Å; S83-L86 PolarHBondContact O-N 2.94Å; L86-L88 PolarHBondContact O-N 2.95Å; L86-H89 WeakPolarHBondContact O-CB 3.46Å; L86-H89 PolarHBondContact O-N 3.14Å; L86-H89 VanDerWaalsContact O-N 3.12Å |
| 87 | D | 58.2 | Low | 59 | Low | 152 Ų | 152 | 87.4 Ų | 87.4 | 81% | 0.813 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -27.3 | -177.9 | -158.2 | -108.6 | 0 | 0 | 0 | 113.1 | S83 | S83-D87 PolarHBondContact O-N 3.45Å |
| 88 | L | 61.1 | Low | 59.3 | Low | 154 Ų | 154 | 89.8 Ų | 89.8 | 81% | 0.806 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.2 | 175.9 | -168.3 | 67 | 0 | 0 | 0 | 113.2 | L86 | L86-L88 PolarHBondContact O-N 2.95Š|
| 89 | H | 62.2 | Low | 59.7 | Low | 128 Ų | 128 | 88.1 Ų | 88.1 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | trans | -86.7 | 0 | -175.6 | 175.6 | 71 | 0 | 0 | 0 | 111.4 | C73 C76 F80 L85 L86 | C73-H89 PolarHBondContact SG-NE2 3.08Å; C76-H89 PolarHBondContact SG-NE2 3.21Å; F80-H89 HydrophobicContact CE1-CB 4.39Å; F80-H89 HydrophobicContact CE2-CB 4.23Å; F80-H89 AromaticContact CE2-CD2 3.98Å; F80-H89 AromaticContact CE2-CG 3.93Å; F80-H89 HydrophobicContact CZ-CB 3.84Å; F80-H89 AromaticContact CZ-CD2 3.91Å; F80-H89 AromaticContact CZ-CG 3.48Å; F80-H89 VanDerWaalsContact CZ-CG 3.48Å; F80-H89 AromaticContact CZ-ND1 3.63Å; L85-H89 WeakPolarHBondContact O-CB 3.42Å; L86-H89 WeakPolarHBondContact O-CB 3.46Å; L86-H89 PolarHBondContact O-N 3.14Å; L86-H89 VanDerWaalsContact O-N 3.12Å |
Retrieved 89 of 89 residues in 375.5 ms
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