| 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 | 46.9 | Very low | 54.9 | Low | 243 Ų | 243 | 153.8 Ų | 153.8 | 100% | 1.197 | 84% | 0.844 | S | S | * | * | 0 | 92.3 | 0 | -68.9 | -174.3 | 175.4 | 0 | 0 | 109.3 | |||||
| 2 | I | 50.6 | Low | 54.5 | Low | 170 Ų | 170 | 144.8 Ų | 144.8 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -139.9 | 109.3 | 151 | -58.6 | -177.9 | 0 | 0 | 0 | 104.5 | Q4 | I2-Q4 PolarHBondContact O-N 2.85Š| ||
| 3 | A | 56.3 | Low | 54.2 | Low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -67.6 | 128 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R5 | A3-R5 PolarHBondContact O-N 3.24Å; A3-R5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | Q | 59.2 | Low | 54.3 | Low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -61 | 112.4 | 167.4 | -64.8 | 173.5 | 4 | 0 | 0 | 107.5 | I2 G6 | I2-Q4 PolarHBondContact O-N 2.85Å; Q4-G6 PolarHBondContact O-N 3.4Å | ||
| 5 | R | 60.8 | Low | 55 | Low | 243 Ų | 243 | 139.1 Ų | 139.1 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | trans | -69.1 | 99.8 | 168.5 | -79.8 | -175.8 | 144.3 | 96.4 | -0.9 | 107.1 | A3 L7 | A3-R5 PolarHBondContact O-N 3.24Å; A3-R5 VanDerWaalsContact O-N 3.15Å; R5-L7 PolarHBondContact O-N 2.89Å | ||
| 6 | G | 60.3 | Low | 56.6 | Low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q4 | Q4-G6 PolarHBondContact O-N 3.4Š|
| 7 | L | 58.9 | Low | 58.1 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.2 | 164.9 | -76.3 | 147.9 | 0 | 0 | 0 | 107.6 | R5 C9 | R5-L7 PolarHBondContact O-N 2.89Å; L7-C9 PolarHBondContact O-N 3.38Å |
| 8 | P | 63.8 | Low | 59.5 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 128 | 173.7 | 26.6 | -31.1 | 0 | 0 | 0 | 109.2 | F10 | P8-F10 HydrophobicContact CB-CD2 4.49Å; P8-F10 HydrophobicContact CG-CD2 4.31Å; P8-F10 HydrophobicContact CG-CE2 4.18Å; P8-F10 PolarHBondContact O-N 2.89Å |
| 9 | C | 47.1 | Very low | 60.8 | Low | 121 Ų | 121 | 128.7 Ų | 128.7 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -64.9 | 100.9 | 169.3 | -46.2 | 0 | 0 | 0 | 0 | 107.7 | L7 S11 | L7-C9 PolarHBondContact O-N 3.38Å; C9-S11 PolarHBondContact O-N 2.98Å | ||
| 10 | F | 49.4 | Very low | 62 | Low | 185 Ų | 185 | 124.7 Ų | 124.7 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | -80 | 80.2 | 168.6 | -95.9 | -92.7 | 0 | 0 | 0 | 108.5 | P8 G12 | P8-F10 HydrophobicContact CB-CD2 4.49Å; P8-F10 HydrophobicContact CG-CD2 4.31Å; P8-F10 HydrophobicContact CG-CE2 4.18Å; P8-F10 PolarHBondContact O-N 2.89Å; F10-G12 PolarHBondContact O-N 2.94Å | ||
| 11 | S | 50.5 | Low | 63 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | trans | -77.5 | 107.2 | 159 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | C9 | C9-S11 PolarHBondContact O-N 2.98Š| ||
| 12 | G | 49.8 | Very low | 64.7 | Low | 46 Ų | 46 | 115.9 Ų | 115.9 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | trans | 174.5 | 94 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F10 D14 | F10-G12 PolarHBondContact O-N 2.94Å; G12-D14 PolarHBondContact O-N 3.29Å | ||
| 13 | A | 50.5 | Low | 66.3 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 89% | 0.893 | 62% | 0.615 | S | S | * | * | trans | -65.7 | 80.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y15 | A13-Y15 VanDerWaalsContact C-N 3.29Å; A13-Y15 PolarHBondContact O-N 2.88Å | ||
| 14 | D | 56.5 | Low | 67.4 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -74.3 | 89.6 | 179.5 | -68.2 | -23.1 | 0 | 0 | 0 | 107.9 | G12 Y16 | G12-D14 PolarHBondContact O-N 3.29Å; D14-Y16 PolarHBondContact O-N 3.39Å | ||
| 15 | Y | 64.8 | Low | 68.6 | Low | 104 Ų | 104 | 109.6 Ų | 109.6 | 41% | 0.408 | 61% | 0.61 | S | S | . | * | trans | -40.6 | 113.3 | 166.2 | 176.6 | -89.3 | 0 | 0 | 0 | 109.3 | A13 K17 A31 D142 | A13-Y15 VanDerWaalsContact C-N 3.29Å; A13-Y15 PolarHBondContact O-N 2.88Å; Y15-K17 HydrophobicContact CD1-CD 4Å; Y15-K17 HydrophobicContact CD1-CG 3.5Å; Y15-K17 HydrophobicContact CE1-CD 4.19Å; Y15-K17 HydrophobicContact CE1-CG 3.76Å; Y15-K17 PolarHBondContact O-N 3.11Å; Y15-K17 VanDerWaalsContact O-N 3.08Å; Y15-A31 HydrophobicContact CE1-CB 3.61Å; Y15-A31 WeakPolarHBondContact OH-CB 3.42Å; Y15-D142 VanDerWaalsContact CE2-OD1 3.25Å; Y15-D142 WeakPolarHBondContact CE2-OD1 3.37Å; Y15-D142 WeakPolarHBondContact CE2-OD2 3.03Å; Y15-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y15-D142 PolarHBondContact OH-OD1 2.92Å | ||
| 16 | Y | 80.7 | Confident | 69.5 | Low | 187 Ų | 187 | 98.7 Ų | 98.7 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -66.5 | 109.4 | -172.4 | 176.9 | -109.1 | 0 | 0 | 0 | 110 | D14 P18 | D14-Y16 PolarHBondContact O-N 3.39Å; Y16-P18 HydrophobicContact CD1-CB 4.29Å; Y16-P18 HydrophobicContact CD1-CG 3.9Å; Y16-P18 HydrophobicContact CE1-CB 3.53Å; Y16-P18 HydrophobicContact CE1-CG 3.5Å; Y16-P18 VanDerWaalsContact CE1-CG 3.5Å; Y16-P18 WeakPolarHBondContact O-CD 3.19Å | ||
| 17 | K | 82.1 | Confident | 70.5 | Confident | 55 Ų | 55 | 103 Ų | 103 | 24% | 0.239 | 58% | 0.578 | C | S | . | * | trans | -106.7 | 84.8 | 175.9 | -60 | -172.3 | -177.5 | -166.4 | 0 | 110.4 | Y15 Y19 R29 F30 D140 | Y15-K17 HydrophobicContact CD1-CD 4Å; Y15-K17 HydrophobicContact CD1-CG 3.5Å; Y15-K17 HydrophobicContact CE1-CD 4.19Å; Y15-K17 HydrophobicContact CE1-CG 3.76Å; Y15-K17 PolarHBondContact O-N 3.11Å; Y15-K17 VanDerWaalsContact O-N 3.08Å; K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.46Å; K17-R29 HydrophobicContact CB-CB 3.72Å; K17-R29 WeakPolarHBondContact CD-O 3.35Å; K17-R29 PolarHBondContact O-NE 3.12Å; K17-R29 PolarHBondContact O-NH2 3.34Å; K17-F30 CarbonylContact C-O 3.48Å; K17-F30 VanDerWaalsContact C-O 3.3Å; K17-F30 WeakPolarHBondContact CA-O 3.41Å; K17-D140 IonicContact NZ-OD1 2.69Å; K17-D140 PolarHBondContact NZ-OD1 2.98Å; K17-D140 IonicContact NZ-OD2 3.73Å | ||
| 18 | P | 83.4 | Confident | 71.7 | Confident | 41 Ų | 41 | 101.2 Ų | 101.2 | 27% | 0.266 | 56% | 0.563 | S | S | . | * | trans | -69.9 | -23.8 | -174.4 | 21.2 | -28.5 | 0 | 0 | 0 | 114.3 | Y16 | Y16-P18 HydrophobicContact CD1-CB 4.29Å; Y16-P18 HydrophobicContact CD1-CG 3.9Å; Y16-P18 HydrophobicContact CE1-CB 3.53Å; Y16-P18 HydrophobicContact CE1-CG 3.5Å; Y16-P18 VanDerWaalsContact CE1-CG 3.5Å; Y16-P18 WeakPolarHBondContact O-CD 3.19Å | ||
| 19 | Y | 83 | Confident | 72.6 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 30% | 0.298 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 108.2 | -169.6 | -59 | -69.1 | 0 | 0 | 0 | 111.2 | K17 R29 F30 A31 N32 K33 | K17-Y19 VanDerWaalsContact C-N 3.32Å; K17-Y19 PolarHBondContact O-N 3.46Å; Y19-R29 CarbonylContact O-C 3.3Å; Y19-R29 VanDerWaalsContact O-CA 3.27Å; Y19-R29 WeakPolarHBondContact O-CA 3.18Å; Y19-F30 PolarHBondContact N-O 2.94Å; Y19-F30 PolarHBondContact O-N 3.38Å; Y19-A31 WeakPolarHBondContact CD2-O 3.47Å; Y19-A31 VanDerWaalsContact CE2-O 3.3Å; Y19-A31 WeakPolarHBondContact CE2-O 3.44Å; Y19-N32 VanDerWaalsContact CE2-CA 3.43Å; Y19-K33 HydrophobicContact CD1-CG 3.64Å; Y19-K33 HydrophobicContact CD2-CG 4.35Å; Y19-K33 HydrophobicContact CE1-CD 3.95Å; Y19-K33 VanDerWaalsContact CE1-CE 3.41Å; Y19-K33 HydrophobicContact CE1-CG 3.22Å; Y19-K33 HydrophobicContact CE2-CG 3.96Å; Y19-K33 HydrophobicContact CG-CG 4.2Å |
| 20 | A | 84.8 | Confident | 74.3 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R29 | A20-R29 HydrophobicContact CB-CG 4.22Å |
| 21 | C | 84.2 | Confident | 75.9 | Confident | 13 Ų | 13 | 91.2 Ų | 91.2 | 9% | 0.088 | 50% | 0.497 | C | S | . | . | trans | -66.6 | 133.7 | 169 | -172.4 | 0 | 0 | 0 | 0 | 110.4 | H23 C26 K28 L36 H39 H43 | C21-H23 PolarHBondContact SG-N 3.43Å; C21-C26 HydrophobicContact CB-CB 4.09Å; C21-K28 PolarHBondContact N-O 3.12Å; C21-L36 HydrophobicContact CB-CD1 4.2Å; C21-H39 VanDerWaalsContact SG-CD2 3.54Å; C21-H39 PolarHBondContact SG-NE2 3.18Å; C21-H39 VanDerWaalsContact SG-NE2 3.38Å; C21-H43 VanDerWaalsContact SG-CD2 3.53Å; C21-H43 PolarHBondContact SG-NE2 2.79Å; C21-H43 VanDerWaalsContact SG-NE2 3.42Å | ||
| 22 | Q | 82.5 | Confident | 77.2 | Confident | 170 Ų | 170 | 88.9 Ų | 88.9 | 79% | 0.794 | 48% | 0.476 | S | S | * | . | trans | -90.8 | 2 | 179.2 | -60.6 | -173.3 | 8.4 | 0 | 0 | 113.5 | A24 | Q22-A24 PolarHBondContact O-N 3.45Š| ||
| 23 | H | 83 | Confident | 78.8 | Confident | 84 Ų | 84 | 93.6 Ų | 93.6 | 39% | 0.389 | 48% | 0.483 | S | S | . | . | trans | -72.4 | 129.8 | 179.2 | -168.4 | 76.9 | 0 | 0 | 0 | 110.1 | C21 N25 C26 H43 | C21-H23 PolarHBondContact SG-N 3.43Å; H23-N25 PolarHBondContact O-N 3.44Å; H23-C26 HydrophobicContact CB-CB 3.86Å; H23-C26 PolarHBondContact O-N 3.35Å; H23-H43 HydrophobicContact CB-CB 4.43Å; H23-H43 AromaticContact CD2-CE1 3.69Å; H23-H43 AromaticContact CD2-CG 3.93Å; H23-H43 AromaticContact CD2-ND1 3.38Å; H23-H43 PolarHBondContact CD2-ND1 3.08Å; H23-H43 AromaticContact CG-CD2 3.98Å; H23-H43 AromaticContact CG-CE1 3.9Å; H23-H43 AromaticContact CG-CG 3.56Å; H23-H43 AromaticContact CG-ND1 3.52Å; H23-H43 AromaticContact ND1-CG 3.82Å; H23-H43 AromaticContact ND1-ND1 3.98Å; H23-H43 AromaticContact NE2-ND1 3.81Å | ||
| 24 | A | 81 | Confident | 80.1 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 79% | 0.785 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q22 | Q22-A24 PolarHBondContact O-N 3.45Š|
| 25 | N | 83 | Confident | 81.1 | Confident | 145 Ų | 145 | 90.7 Ų | 90.7 | 78% | 0.775 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 14.2 | -179.9 | -61.4 | -9.3 | 0 | 0 | 0 | 112.9 | H23 | H23-N25 PolarHBondContact O-N 3.44Š|
| 26 | C | 80.6 | Confident | 81.9 | Confident | 13 Ų | 13 | 86.8 Ų | 86.8 | 9% | 0.088 | 43% | 0.432 | C | S | . | . | trans | -124.1 | 122.3 | -178.9 | -169.7 | 0 | 0 | 0 | 0 | 112 | C21 H23 H39 | C21-C26 HydrophobicContact CB-CB 4.09Å; H23-C26 HydrophobicContact CB-CB 3.86Å; H23-C26 PolarHBondContact O-N 3.35Å; C26-H39 PolarHBondContact SG-NE2 2.88Å | ||
| 27 | N | 81.8 | Confident | 81.8 | Confident | 159 Ų | 159 | 84 Ų | 84 | 85% | 0.85 | 42% | 0.424 | S | S | * | . | trans | -108.3 | 19.7 | 178.9 | -65.4 | -54.3 | 0 | 0 | 0 | 113.1 | ||||
| 28 | K | 82.3 | Confident | 81.4 | Confident | 126 Ų | 126 | 82.9 Ų | 82.9 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | trans | -76.6 | 141 | -177.3 | -70.5 | 177.3 | 179.6 | -80.6 | 0 | 111.6 | C21 F30 | C21-K28 PolarHBondContact N-O 3.12Å; K28-F30 HydrophobicContact CB-CE2 3.87Å; K28-F30 HydrophobicContact CB-CZ 3.85Å; K28-F30 HydrophobicContact CD-CZ 4.45Å | ||
| 29 | R | 83.4 | Confident | 81.3 | Confident | 144 Ų | 144 | 81.6 Ų | 81.6 | 54% | 0.543 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.3 | 176.9 | -58.1 | -179.2 | 68.2 | 152.1 | 3.2 | 109.9 | K17 Y19 A20 | K17-R29 HydrophobicContact CB-CB 3.72Å; K17-R29 WeakPolarHBondContact CD-O 3.35Å; K17-R29 PolarHBondContact O-NE 3.12Å; K17-R29 PolarHBondContact O-NH2 3.34Å; Y19-R29 CarbonylContact O-C 3.3Å; Y19-R29 VanDerWaalsContact O-CA 3.27Å; Y19-R29 WeakPolarHBondContact O-CA 3.18Å; A20-R29 HydrophobicContact CB-CG 4.22Å |
| 30 | F | 82.5 | Confident | 81.1 | Confident | 20 Ų | 20 | 81 Ų | 81 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.9 | -173.6 | -58.5 | -82.9 | 0 | 0 | 0 | 111.1 | K17 Y19 K28 L35 L36 H39 | K17-F30 CarbonylContact C-O 3.48Å; K17-F30 VanDerWaalsContact C-O 3.3Å; K17-F30 WeakPolarHBondContact CA-O 3.41Å; Y19-F30 PolarHBondContact N-O 2.94Å; Y19-F30 PolarHBondContact O-N 3.38Å; K28-F30 HydrophobicContact CB-CE2 3.87Å; K28-F30 HydrophobicContact CB-CZ 3.85Å; K28-F30 HydrophobicContact CD-CZ 4.45Å; F30-L35 HydrophobicContact CB-CB 3.98Å; F30-L35 HydrophobicContact CD1-CB 3.71Å; F30-L35 HydrophobicContact CG-CB 4.09Å; F30-L36 HydrophobicContact CB-CB 4.32Å; F30-L36 HydrophobicContact CD2-CB 3.93Å; F30-L36 HydrophobicContact CD2-CD1 3.89Å; F30-L36 HydrophobicContact CE2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CB 4.32Å; F30-H39 HydrophobicContact CE1-CB 3.91Å; F30-H39 HydrophobicContact CE2-CB 3.66Å; F30-H39 AromaticContact CE2-CD2 3.49Å; F30-H39 VanDerWaalsContact CE2-CD2 3.49Å; F30-H39 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H39 AromaticContact CE2-CG 3.54Å; F30-H39 HydrophobicContact CZ-CB 3.26Å; F30-H39 AromaticContact CZ-CD2 3.63Å; F30-H39 AromaticContact CZ-CG 3.19Å; F30-H39 AromaticContact CZ-ND1 3.69Å |
| 31 | A | 82.4 | Confident | 80.6 | Confident | 29 Ų | 29 | 80.5 Ų | 80.5 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -70.2 | -35.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y15 Y19 | Y15-A31 HydrophobicContact CE1-CB 3.61Å; Y15-A31 WeakPolarHBondContact OH-CB 3.42Å; Y19-A31 WeakPolarHBondContact CD2-O 3.47Å; Y19-A31 VanDerWaalsContact CE2-O 3.3Å; Y19-A31 WeakPolarHBondContact CE2-O 3.44Å |
| 32 | N | 79.6 | Confident | 80.1 | Confident | 68 Ų | 68 | 85.9 Ų | 85.9 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -131.8 | 160.8 | -175.1 | 68.2 | 31.7 | 0 | 0 | 0 | 111.8 | Y19 F34 L35 L36 | Y19-N32 VanDerWaalsContact CE2-CA 3.43Å; N32-F34 PolarHBondContact O-N 3.33Å; N32-F34 PolarHBondContact OD1-N 3.29Å; N32-L35 WeakPolarHBondContact OD1-CB 3.34Å; N32-L35 WeakPolarHBondContact OD1-CD1 3.29Å; N32-L35 WeakPolarHBondContact OD1-CG 3.31Å; N32-L35 PolarHBondContact OD1-N 2.9Å; N32-L36 PolarHBondContact O-N 3.24Å |
| 33 | K | 82.8 | Confident | 79.9 | Confident | 144 Ų | 144 | 80.9 Ų | 80.9 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65 | -29.4 | 178.1 | -65.9 | -177.1 | -179.7 | 178.2 | 0 | 112.6 | Y19 L36 K37 | Y19-K33 HydrophobicContact CD1-CG 3.64Å; Y19-K33 HydrophobicContact CD2-CG 4.35Å; Y19-K33 HydrophobicContact CE1-CD 3.95Å; Y19-K33 VanDerWaalsContact CE1-CE 3.41Å; Y19-K33 HydrophobicContact CE1-CG 3.22Å; Y19-K33 HydrophobicContact CE2-CG 3.96Å; Y19-K33 HydrophobicContact CG-CG 4.2Å; K33-L36 PolarHBondContact O-N 2.76Å; K33-K37 WeakPolarHBondContact O-CB 3.24Å; K33-K37 PolarHBondContact O-N 2.88Å |
| 34 | F | 77.3 | Confident | 79.5 | Confident | 134 Ų | 134 | 80.4 Ų | 80.4 | 59% | 0.588 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | -177.7 | 179.5 | -97.7 | 0 | 0 | 0 | 111.5 | N32 K37 K38 | N32-F34 PolarHBondContact O-N 3.33Å; N32-F34 PolarHBondContact OD1-N 3.29Å; F34-K37 PolarHBondContact O-N 2.8Å; F34-K38 WeakPolarHBondContact O-CB 3.35Å; F34-K38 PolarHBondContact O-N 2.84Å |
| 35 | L | 77.9 | Confident | 78.8 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 175.9 | -68.8 | 171.8 | 0 | 0 | 0 | 111.5 | F30 N32 K37 K38 H39 | F30-L35 HydrophobicContact CB-CB 3.98Å; F30-L35 HydrophobicContact CD1-CB 3.71Å; F30-L35 HydrophobicContact CG-CB 4.09Å; N32-L35 WeakPolarHBondContact OD1-CB 3.34Å; N32-L35 WeakPolarHBondContact OD1-CD1 3.29Å; N32-L35 WeakPolarHBondContact OD1-CG 3.31Å; N32-L35 PolarHBondContact OD1-N 2.9Å; L35-K37 PolarHBondContact O-N 3.36Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.29Å; L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.2Å |
| 36 | L | 81.3 | Confident | 77.8 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 172.8 | 172 | 61.4 | 0 | 0 | 0 | 111.2 | C21 F30 N32 K33 K38 H39 E40 | C21-L36 HydrophobicContact CB-CD1 4.2Å; F30-L36 HydrophobicContact CB-CB 4.32Å; F30-L36 HydrophobicContact CD2-CB 3.93Å; F30-L36 HydrophobicContact CD2-CD1 3.89Å; F30-L36 HydrophobicContact CE2-CD1 4.12Å; F30-L36 HydrophobicContact CG-CB 4.32Å; N32-L36 PolarHBondContact O-N 3.24Å; K33-L36 PolarHBondContact O-N 2.76Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-H39 WeakPolarHBondContact O-CB 3.41Å; L36-H39 PolarHBondContact O-N 3.38Å; L36-H39 VanDerWaalsContact O-N 3.13Å; L36-E40 HydrophobicContact CD1-CG 4.1Å; L36-E40 HydrophobicContact CG-CG 4.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.19Å |
| 37 | K | 79.2 | Confident | 77.3 | Confident | 130 Ų | 130 | 81 Ų | 81 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63 | -39 | 179.4 | -170.2 | 170.5 | -174.2 | 172.4 | 0 | 112.1 | K33 F34 L35 H39 E40 F41 | K33-K37 WeakPolarHBondContact O-CB 3.24Å; K33-K37 PolarHBondContact O-N 2.88Å; F34-K37 PolarHBondContact O-N 2.8Å; L35-K37 PolarHBondContact O-N 3.36Å; K37-H39 VanDerWaalsContact C-N 3.3Å; K37-H39 PolarHBondContact O-N 3.44Å; K37-E40 PolarHBondContact O-N 3.32Å; K37-F41 HydrophobicContact CG-CE2 4.3Å; K37-F41 HydrophobicContact CG-CZ 4.08Å; K37-F41 VanDerWaalsContact O-CD2 3.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.42Å; K37-F41 WeakPolarHBondContact O-CE2 3.41Å; K37-F41 PolarHBondContact O-N 3.44Å |
| 38 | K | 73.5 | Confident | 76.8 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 13% | 0.13 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 173.5 | -175.3 | -169.9 | 176.2 | -164.4 | 0 | 111 | F34 L35 L36 F41 E138 | F34-K38 WeakPolarHBondContact O-CB 3.35Å; F34-K38 PolarHBondContact O-N 2.84Å; L35-K38 WeakPolarHBondContact O-CB 3.42Å; L35-K38 PolarHBondContact O-N 3.29Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.21Å; K38-F41 WeakPolarHBondContact O-CB 3.47Å; K38-F41 PolarHBondContact O-N 3.07Å; K38-E138 WeakPolarHBondContact CE-OE1 3.3Å; K38-E138 IonicContact NZ-OE1 2.65Å; K38-E138 PolarHBondContact NZ-OE1 2.79Å |
| 39 | H | 81 | Confident | 76.3 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 7% | 0.069 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.6 | 171.4 | 70 | 0 | 0 | 0 | 112.5 | C21 C26 F30 L35 L36 K37 F41 I42 H43 | C21-H39 VanDerWaalsContact SG-CD2 3.54Å; C21-H39 PolarHBondContact SG-NE2 3.18Å; C21-H39 VanDerWaalsContact SG-NE2 3.38Å; C26-H39 PolarHBondContact SG-NE2 2.88Å; F30-H39 HydrophobicContact CE1-CB 3.91Å; F30-H39 HydrophobicContact CE2-CB 3.66Å; F30-H39 AromaticContact CE2-CD2 3.49Å; F30-H39 VanDerWaalsContact CE2-CD2 3.49Å; F30-H39 WeakPolarHBondContact CE2-CD2 3.39Å; F30-H39 AromaticContact CE2-CG 3.54Å; F30-H39 HydrophobicContact CZ-CB 3.26Å; F30-H39 AromaticContact CZ-CD2 3.63Å; F30-H39 AromaticContact CZ-CG 3.19Å; F30-H39 AromaticContact CZ-ND1 3.69Å; L35-H39 WeakPolarHBondContact O-CB 3.43Å; L35-H39 PolarHBondContact O-N 3.2Å; L36-H39 WeakPolarHBondContact O-CB 3.41Å; L36-H39 PolarHBondContact O-N 3.38Å; L36-H39 VanDerWaalsContact O-N 3.13Å; K37-H39 VanDerWaalsContact C-N 3.3Å; K37-H39 PolarHBondContact O-N 3.44Å; H39-F41 PolarHBondContact O-N 3.44Å; H39-I42 VanDerWaalsContact O-CB 3.28Å; H39-I42 WeakPolarHBondContact O-CB 3.26Å; H39-I42 WeakPolarHBondContact O-CG1 3.28Å; H39-I42 PolarHBondContact O-N 3.26Å; H39-H43 AromaticContact CD2-NE2 3.83Å; H39-H43 AromaticContact CE1-NE2 3.41Å; H39-H43 PolarHBondContact CE1-NE2 2.84Å; H39-H43 AromaticContact NE2-CD2 3.67Å; H39-H43 AromaticContact NE2-CE1 3.99Å; H39-H43 AromaticContact NE2-NE2 2.94Å; H39-H43 PolarHBondContact NE2-NE2 3.47Å |
| 40 | E | 77.8 | Confident | 75.8 | Confident | 63 Ų | 63 | 70 Ų | 70 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -30.3 | 178.2 | -76.7 | 173.8 | 167.5 | 0 | 0 | 112.8 | L36 K37 I42 H43 T44 | L36-E40 HydrophobicContact CD1-CG 4.1Å; L36-E40 HydrophobicContact CG-CG 4.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.19Å; K37-E40 PolarHBondContact O-N 3.32Å; E40-I42 PolarHBondContact O-N 3.24Å; E40-I42 VanDerWaalsContact O-N 3.15Å; E40-H43 PolarHBondContact O-N 3Å; E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 PolarHBondContact O-OG1 3.5Å |
| 41 | F | 74.6 | Confident | 75.5 | Confident | 37 Ų | 37 | 69 Ų | 69 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.1 | -22.1 | 174.4 | -62.6 | -47.6 | 0 | 0 | 0 | 114.2 | K37 K38 H39 H43 T44 G45 E46 P48 N59 | K37-F41 HydrophobicContact CG-CE2 4.3Å; K37-F41 HydrophobicContact CG-CZ 4.08Å; K37-F41 VanDerWaalsContact O-CD2 3.22Å; K37-F41 WeakPolarHBondContact O-CD2 3.42Å; K37-F41 WeakPolarHBondContact O-CE2 3.41Å; K37-F41 PolarHBondContact O-N 3.44Å; K38-F41 WeakPolarHBondContact O-CB 3.47Å; K38-F41 PolarHBondContact O-N 3.07Å; H39-F41 PolarHBondContact O-N 3.44Å; F41-H43 VanDerWaalsContact C-N 3.31Å; F41-T44 WeakPolarHBondContact CA-OG1 3.39Å; F41-G45 VanDerWaalsContact O-CA 3.31Å; F41-G45 WeakPolarHBondContact O-CA 3.27Å; F41-G45 PolarHBondContact O-N 3.42Å; F41-E46 WeakPolarHBondContact CB-O 3.41Å; F41-E46 HydrophobicContact CD1-CB 4.06Å; F41-E46 WeakPolarHBondContact CD1-O 3.46Å; F41-E46 HydrophobicContact CE1-CB 4.46Å; F41-E46 WeakPolarHBondContact CG-O 3.43Å; F41-P48 HydrophobicContact CE2-CG 4.46Å; F41-P48 HydrophobicContact CZ-CG 4.1Å; F41-N59 HydrophobicContact CD2-CB 4.35Å |
| 42 | I | 74.1 | Confident | 75 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 65% | 0.651 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.3 | -34.8 | 174.2 | -57.3 | 171.9 | 0 | 0 | 0 | 110 | H39 E40 | H39-I42 VanDerWaalsContact O-CB 3.28Å; H39-I42 WeakPolarHBondContact O-CB 3.26Å; H39-I42 WeakPolarHBondContact O-CG1 3.28Å; H39-I42 PolarHBondContact O-N 3.26Å; E40-I42 PolarHBondContact O-N 3.24Å; E40-I42 VanDerWaalsContact O-N 3.15Å |
| 43 | H | 78.8 | Confident | 74.7 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.296 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -82.9 | -37.7 | 178.4 | -59.8 | -56.9 | 0 | 0 | 0 | 112.2 | C21 H23 H39 E40 F41 | C21-H43 VanDerWaalsContact SG-CD2 3.53Å; C21-H43 PolarHBondContact SG-NE2 2.79Å; C21-H43 VanDerWaalsContact SG-NE2 3.42Å; H23-H43 HydrophobicContact CB-CB 4.43Å; H23-H43 AromaticContact CD2-CE1 3.69Å; H23-H43 AromaticContact CD2-CG 3.93Å; H23-H43 AromaticContact CD2-ND1 3.38Å; H23-H43 PolarHBondContact CD2-ND1 3.08Å; H23-H43 AromaticContact CG-CD2 3.98Å; H23-H43 AromaticContact CG-CE1 3.9Å; H23-H43 AromaticContact CG-CG 3.56Å; H23-H43 AromaticContact CG-ND1 3.52Å; H23-H43 AromaticContact ND1-CG 3.82Å; H23-H43 AromaticContact ND1-ND1 3.98Å; H23-H43 AromaticContact NE2-ND1 3.81Å; H39-H43 AromaticContact CD2-NE2 3.83Å; H39-H43 AromaticContact CE1-NE2 3.41Å; H39-H43 PolarHBondContact CE1-NE2 2.84Å; H39-H43 AromaticContact NE2-CD2 3.67Å; H39-H43 AromaticContact NE2-CE1 3.99Å; H39-H43 AromaticContact NE2-NE2 2.94Å; H39-H43 PolarHBondContact NE2-NE2 3.47Å; E40-H43 PolarHBondContact O-N 3Å; F41-H43 VanDerWaalsContact C-N 3.31Å |
| 44 | T | 73.6 | Confident | 74.4 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -85.4 | -19.2 | -178 | 65 | 0 | 0 | 0 | 0 | 113.1 | E40 F41 E46 | E40-T44 PolarHBondContact O-N 3.48Å; E40-T44 PolarHBondContact O-OG1 3.5Å; F41-T44 WeakPolarHBondContact CA-OG1 3.39Å; T44-E46 PolarHBondContact O-N 3.48Å; T44-E46 WeakPolarHBondContact OG1-CB 3.39Å; T44-E46 PolarHBondContact OG1-N 2.91Å |
| 45 | G | 67.4 | Low | 74.3 | Confident | 55 Ų | 55 | 66.4 Ų | 66.4 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | trans | 68.8 | 2.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F41 R47 | F41-G45 VanDerWaalsContact O-CA 3.31Å; F41-G45 WeakPolarHBondContact O-CA 3.27Å; F41-G45 PolarHBondContact O-N 3.42Å; G45-R47 PolarHBondContact O-N 2.73Å | ||
| 46 | E | 62.8 | Low | 74.1 | Confident | 127 Ų | 127 | 68 Ų | 68 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | trans | -77.7 | 110 | -176.6 | -65.6 | 179.7 | 169.4 | 0 | 0 | 109.9 | F41 T44 | F41-E46 WeakPolarHBondContact CB-O 3.41Å; F41-E46 HydrophobicContact CD1-CB 4.06Å; F41-E46 WeakPolarHBondContact CD1-O 3.46Å; F41-E46 HydrophobicContact CE1-CB 4.46Å; F41-E46 WeakPolarHBondContact CG-O 3.43Å; T44-E46 PolarHBondContact O-N 3.48Å; T44-E46 WeakPolarHBondContact OG1-CB 3.39Å; T44-E46 PolarHBondContact OG1-N 2.91Å | ||
| 47 | R | 68.5 | Low | 73.8 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 31% | 0.313 | 37% | 0.369 | S | S | . | . | trans | -109.5 | 102.6 | 175.1 | -68.6 | -179.7 | 176 | -177.2 | 4.8 | 109.2 | G45 H49 R57 D131 | G45-R47 PolarHBondContact O-N 2.73Å; R47-H49 VanDerWaalsContact C-N 3.32Å; R47-H49 PolarHBondContact O-N 3.06Å; R47-R57 HydrophobicContact CB-CB 3.32Å; R47-R57 HydrophobicContact CB-CG 4.44Å; R47-R57 VanDerWaalsContact CD-O 3.28Å; R47-R57 WeakPolarHBondContact CD-O 3.5Å; R47-R57 HydrophobicContact CG-CB 4.24Å; R47-R57 PolarHBondContact NH1-O 3.14Å; R47-R57 PolarHBondContact O-NE 3.07Å; R47-R57 PolarHBondContact O-NH2 2.9Å; R47-D131 IonicContact NH1-OD2 3.91Å | ||
| 48 | P | 71.6 | Confident | 73.5 | Confident | 67 Ų | 67 | 68 Ų | 68 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | trans | -71.5 | -20.2 | -168.4 | 25 | -33.6 | 0 | 0 | 0 | 114.6 | F41 | F41-P48 HydrophobicContact CE2-CG 4.46Å; F41-P48 HydrophobicContact CZ-CG 4.1Å | ||
| 49 | H | 72.4 | Confident | 73.3 | Confident | 45 Ų | 45 | 69 Ų | 69 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 98.9 | -172.4 | -60 | -54.5 | 0 | 0 | 0 | 111.7 | R47 R57 F58 R60 K61 L64 | R47-H49 VanDerWaalsContact C-N 3.32Å; R47-H49 PolarHBondContact O-N 3.06Å; H49-R57 CarbonylContact O-C 3.45Å; H49-R57 WeakPolarHBondContact O-CA 3.14Å; H49-F58 HydrophobicContact CB-CB 4.13Å; H49-F58 WeakPolarHBondContact CB-O 3.41Å; H49-F58 PolarHBondContact N-O 3.16Å; H49-F58 VanDerWaalsContact N-O 3.08Å; H49-F58 WeakPolarHBondContact O-CD2 3.08Å; H49-F58 PolarHBondContact O-N 3.07Å; H49-R60 VanDerWaalsContact CD2-C 3.43Å; H49-K61 PolarHBondContact CD2-N 2.93Å; H49-K61 WeakPolarHBondContact CE1-CG 3.45Å; H49-K61 WeakPolarHBondContact NE2-CG 3.42Å; H49-L64 HydrophobicContact CB-CB 4.2Å; H49-L64 HydrophobicContact CB-CD2 3.93Å |
| 50 | Q | 73.5 | Confident | 72.9 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.3 | 179 | -168.3 | 170.5 | 24.5 | 0 | 0 | 112.2 | C55 K56 R57 | Q50-C55 WeakPolarHBondContact CG-O 3.45Å; Q50-C55 PolarHBondContact NE2-O 3.29Å; Q50-C55 VanDerWaalsContact NE2-O 3.07Å; Q50-K56 CarbonylContact C-O 3.51Å; Q50-K56 WeakPolarHBondContact CA-O 3.31Å; Q50-R57 HydrophobicContact CB-CG 4.41Å; Q50-R57 HydrophobicContact CG-CG 4.19Å |
| 51 | C | 75.9 | Confident | 73 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | -72.5 | 123.3 | 169.4 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | Y53 C55 K56 F58 L64 H67 H71 | C51-Y53 PolarHBondContact O-N 2.99Å; C51-Y53 PolarHBondContact SG-N 3.1Å; C51-Y53 VanDerWaalsContact SG-N 3.42Å; C51-C55 VanDerWaalsContact O-CA 3.26Å; C51-C55 WeakPolarHBondContact O-CA 3.25Å; C51-C55 PolarHBondContact O-N 2.82Å; C51-K56 HydrophobicContact CB-CB 4.39Å; C51-K56 PolarHBondContact N-O 2.71Å; C51-F58 HydrophobicContact CB-CE2 4.14Å; C51-L64 HydrophobicContact CB-CD1 3.86Å; C51-H67 VanDerWaalsContact CB-NE2 3.34Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-CD2 2.8Å; C51-H67 PolarHBondContact SG-NE2 2.83Å; C51-H71 PolarHBondContact SG-NE2 3.29Å | ||
| 52 | P | 71.8 | Confident | 73.2 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14 | 178.8 | 29.9 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 53 | Y | 73.2 | Confident | 73.6 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 46% | 0.459 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -31.4 | -176.6 | -55.5 | -67 | 0 | 0 | 0 | 113.7 | C51 K68 H71 | C51-Y53 PolarHBondContact O-N 2.99Å; C51-Y53 PolarHBondContact SG-N 3.1Å; C51-Y53 VanDerWaalsContact SG-N 3.42Å; Y53-K68 HydrophobicContact CD2-CG 4.44Å; Y53-K68 HydrophobicContact CE2-CG 4.16Å; Y53-H71 HydrophobicContact CD2-CB 4.24Å; Y53-H71 AromaticContact CD2-CD2 3.7Å; Y53-H71 AromaticContact CD2-CG 3.94Å |
| 54 | C | 76.4 | Confident | 73.7 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 11.8 | -176.4 | 72 | 0 | 0 | 0 | 0 | 114.4 | K56 H67 H71 | C54-K56 PolarHBondContact O-N 3.49Å; C54-K56 VanDerWaalsContact SG-CG 3.57Å; C54-H67 VanDerWaalsContact SG-CE1 3.58Å; C54-H67 PolarHBondContact SG-NE2 3.2Å; C54-H71 PolarHBondContact SG-NE2 2.91Å; C54-H71 VanDerWaalsContact SG-NE2 3.44Å |
| 55 | C | 75.6 | Confident | 74.2 | Confident | 71 Ų | 71 | 71 Ų | 71 | 48% | 0.48 | 36% | 0.359 | S | S | . | . | trans | 60.5 | 5.7 | 178 | -62.1 | 0 | 0 | 0 | 0 | 116 | Q50 C51 R57 | Q50-C55 WeakPolarHBondContact CG-O 3.45Å; Q50-C55 PolarHBondContact NE2-O 3.29Å; Q50-C55 VanDerWaalsContact NE2-O 3.07Å; C51-C55 VanDerWaalsContact O-CA 3.26Å; C51-C55 WeakPolarHBondContact O-CA 3.25Å; C51-C55 PolarHBondContact O-N 2.82Å; C55-R57 PolarHBondContact O-N 3.49Å | ||
| 56 | K | 73 | Confident | 75 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | trans | -61.6 | 133.1 | 174.8 | -79.9 | -170.9 | 178.7 | -133.9 | 0 | 110.4 | Q50 C51 C54 F58 D131 | Q50-K56 CarbonylContact C-O 3.51Å; Q50-K56 WeakPolarHBondContact CA-O 3.31Å; C51-K56 HydrophobicContact CB-CB 4.39Å; C51-K56 PolarHBondContact N-O 2.71Å; C54-K56 PolarHBondContact O-N 3.49Å; C54-K56 VanDerWaalsContact SG-CG 3.57Å; K56-F58 HydrophobicContact CB-CE2 3.86Å; K56-F58 HydrophobicContact CB-CZ 4.02Å; K56-F58 WeakPolarHBondContact O-CE2 3.2Å; K56-D131 IonicContact NZ-OD1 2.79Å; K56-D131 PolarHBondContact NZ-OD1 3.38Å | ||
| 57 | R | 75.6 | Confident | 76.1 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 140.2 | -178.3 | -49.5 | -178.1 | 69.9 | 111.1 | -0.6 | 110.7 | R47 H49 Q50 C55 | R47-R57 HydrophobicContact CB-CB 3.32Å; R47-R57 HydrophobicContact CB-CG 4.44Å; R47-R57 VanDerWaalsContact CD-O 3.28Å; R47-R57 WeakPolarHBondContact CD-O 3.5Å; R47-R57 HydrophobicContact CG-CB 4.24Å; R47-R57 PolarHBondContact NH1-O 3.14Å; R47-R57 PolarHBondContact O-NE 3.07Å; R47-R57 PolarHBondContact O-NH2 2.9Å; H49-R57 CarbonylContact O-C 3.45Å; H49-R57 WeakPolarHBondContact O-CA 3.14Å; Q50-R57 HydrophobicContact CB-CG 4.41Å; Q50-R57 HydrophobicContact CG-CG 4.19Å; C55-R57 PolarHBondContact O-N 3.49Å |
| 58 | F | 73.6 | Confident | 76.7 | Confident | 36 Ų | 36 | 71 Ų | 71 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.9 | -178 | -59.8 | -87.4 | 0 | 0 | 0 | 109.9 | H49 C51 K56 N63 L64 H67 | H49-F58 HydrophobicContact CB-CB 4.13Å; H49-F58 WeakPolarHBondContact CB-O 3.41Å; H49-F58 PolarHBondContact N-O 3.16Å; H49-F58 VanDerWaalsContact N-O 3.08Å; H49-F58 WeakPolarHBondContact O-CD2 3.08Å; H49-F58 PolarHBondContact O-N 3.07Å; C51-F58 HydrophobicContact CB-CE2 4.14Å; K56-F58 HydrophobicContact CB-CE2 3.86Å; K56-F58 HydrophobicContact CB-CZ 4.02Å; K56-F58 WeakPolarHBondContact O-CE2 3.2Å; F58-N63 HydrophobicContact CB-CB 4.28Å; F58-N63 HydrophobicContact CD1-CB 3.82Å; F58-N63 HydrophobicContact CG-CB 4.33Å; F58-L64 HydrophobicContact CB-CB 4.24Å; F58-L64 HydrophobicContact CD2-CB 3.86Å; F58-L64 HydrophobicContact CD2-CD1 3.84Å; F58-L64 HydrophobicContact CD2-CG 4.44Å; F58-L64 HydrophobicContact CE2-CD1 4.03Å; F58-L64 HydrophobicContact CG-CB 4.14Å; F58-H67 HydrophobicContact CE1-CB 3.83Å; F58-H67 HydrophobicContact CE2-CB 3.96Å; F58-H67 AromaticContact CE2-CD2 3.29Å; F58-H67 WeakPolarHBondContact CE2-CD2 3.49Å; F58-H67 AromaticContact CE2-CG 3.64Å; F58-H67 AromaticContact CE2-NE2 3.87Å; F58-H67 HydrophobicContact CZ-CB 3.39Å; F58-H67 AromaticContact CZ-CD2 3.31Å; F58-H67 WeakPolarHBondContact CZ-CD2 3.43Å; F58-H67 AromaticContact CZ-CG 3.14Å; F58-H67 AromaticContact CZ-ND1 3.63Å; F58-H67 AromaticContact CZ-NE2 3.83Å |
| 59 | N | 68.9 | Low | 77.3 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -82.3 | -15.1 | 173.9 | 60.3 | -2.2 | 0 | 0 | 0 | 112.9 | F41 N63 | F41-N59 HydrophobicContact CD2-CB 4.35Å; N59-N63 PolarHBondContact OD1-ND2 2.83Å |
| 60 | R | 72.7 | Confident | 77.8 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -130.6 | 146.3 | -179.1 | -68.3 | -178.6 | 61.6 | 172.9 | 4 | 112 | H49 D62 N63 L64 | H49-R60 VanDerWaalsContact CD2-C 3.43Å; R60-D62 WeakPolarHBondContact CB-OD1 3.22Å; R60-D62 VanDerWaalsContact CZ-CG 3.47Å; R60-D62 IonicContact CZ-OD1 3.32Å; R60-D62 IonicContact CZ-OD2 3.02Å; R60-D62 VanDerWaalsContact NE-CG 3.28Å; R60-D62 IonicContact NE-OD1 2.82Å; R60-D62 PolarHBondContact NE-OD1 2.79Å; R60-D62 IonicContact NE-OD2 2.99Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH1-OD2 3.75Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 PolarHBondContact NH2-OD1 2.82Å; R60-D62 VanDerWaalsContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 3.07Å; R60-D62 PolarHBondContact NH2-OD2 2.79Å; R60-D62 VanDerWaalsContact NH2-OD2 3.07Å; R60-N63 HydrophobicContact CB-CB 4.15Å; R60-L64 PolarHBondContact O-N 2.79Å |
| 61 | K | 78.8 | Confident | 78 | Confident | 140 Ų | 140 | 73 Ų | 73 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 176.8 | -69.7 | -176.6 | -178 | 173 | 0 | 112.5 | H49 N63 L64 L65 | H49-K61 PolarHBondContact CD2-N 2.93Å; H49-K61 WeakPolarHBondContact CE1-CG 3.45Å; H49-K61 WeakPolarHBondContact NE2-CG 3.42Å; K61-N63 VanDerWaalsContact C-N 3.35Å; K61-N63 PolarHBondContact O-N 2.89Å; K61-L64 WeakPolarHBondContact O-CB 3.5Å; K61-L64 PolarHBondContact O-N 2.84Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.11Å |
| 62 | D | 79.8 | Confident | 77.9 | Confident | 64 Ų | 64 | 81 Ų | 81 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 178.3 | 51.9 | -77 | 0 | 0 | 0 | 112 | R60 L64 L65 R66 | R60-D62 WeakPolarHBondContact CB-OD1 3.22Å; R60-D62 VanDerWaalsContact CZ-CG 3.47Å; R60-D62 IonicContact CZ-OD1 3.32Å; R60-D62 IonicContact CZ-OD2 3.02Å; R60-D62 VanDerWaalsContact NE-CG 3.28Å; R60-D62 IonicContact NE-OD1 2.82Å; R60-D62 PolarHBondContact NE-OD1 2.79Å; R60-D62 IonicContact NE-OD2 2.99Å; R60-D62 PolarHBondContact NE-OD2 3.36Å; R60-D62 IonicContact NH1-OD2 3.75Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 PolarHBondContact NH2-OD1 2.82Å; R60-D62 VanDerWaalsContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 3.07Å; R60-D62 PolarHBondContact NH2-OD2 2.79Å; R60-D62 VanDerWaalsContact NH2-OD2 3.07Å; D62-L64 PolarHBondContact O-N 3.1Å; D62-L65 PolarHBondContact O-N 3.29Å; D62-R66 WeakPolarHBondContact O-CB 3.32Å; D62-R66 PolarHBondContact O-N 3.23Å |
| 63 | N | 81 | Confident | 77.7 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 171.7 | -78.3 | -24.9 | 0 | 0 | 0 | 112.1 | F58 N59 R60 K61 R66 H67 | F58-N63 HydrophobicContact CB-CB 4.28Å; F58-N63 HydrophobicContact CD1-CB 3.82Å; F58-N63 HydrophobicContact CG-CB 4.33Å; N59-N63 PolarHBondContact OD1-ND2 2.83Å; R60-N63 HydrophobicContact CB-CB 4.15Å; K61-N63 VanDerWaalsContact C-N 3.35Å; K61-N63 PolarHBondContact O-N 2.89Å; N63-R66 PolarHBondContact O-N 2.79Å; N63-R66 PolarHBondContact OD1-NH2 2.56Å; N63-H67 VanDerWaalsContact O-CB 3.24Å; N63-H67 WeakPolarHBondContact O-CB 2.86Å; N63-H67 PolarHBondContact O-N 3.08Å |
| 64 | L | 82.2 | Confident | 77.1 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 173.7 | 169.8 | 62.1 | 0 | 0 | 0 | 111.5 | H49 C51 F58 R60 K61 D62 H67 K68 | H49-L64 HydrophobicContact CB-CB 4.2Å; H49-L64 HydrophobicContact CB-CD2 3.93Å; C51-L64 HydrophobicContact CB-CD1 3.86Å; F58-L64 HydrophobicContact CB-CB 4.24Å; F58-L64 HydrophobicContact CD2-CB 3.86Å; F58-L64 HydrophobicContact CD2-CD1 3.84Å; F58-L64 HydrophobicContact CD2-CG 4.44Å; F58-L64 HydrophobicContact CE2-CD1 4.03Å; F58-L64 HydrophobicContact CG-CB 4.14Å; R60-L64 PolarHBondContact O-N 2.79Å; K61-L64 WeakPolarHBondContact O-CB 3.5Å; K61-L64 PolarHBondContact O-N 2.84Å; D62-L64 PolarHBondContact O-N 3.1Å; L64-H67 PolarHBondContact O-N 3.32Å; L64-K68 HydrophobicContact CD1-CG 4.2Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å; L64-K68 PolarHBondContact O-N 2.69Å |
| 65 | L | 84.5 | Confident | 76.2 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 178.7 | -73 | 169.1 | 0 | 0 | 0 | 111.9 | K61 D62 K68 K69 | K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.11Å; D62-L65 PolarHBondContact O-N 3.29Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 2.91Å; L65-K69 PolarHBondContact O-N 3.23Å |
| 66 | R | 83.7 | Confident | 75.2 | Confident | 164 Ų | 164 | 80.4 Ų | 80.4 | 62% | 0.619 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.2 | -45.1 | 173.9 | 177.6 | 170.1 | 59.3 | 174.1 | -0.3 | 111.2 | D62 N63 K68 K69 T70 | D62-R66 WeakPolarHBondContact O-CB 3.32Å; D62-R66 PolarHBondContact O-N 3.23Å; N63-R66 PolarHBondContact O-N 2.79Å; N63-R66 PolarHBondContact OD1-NH2 2.56Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.12Å; R66-K69 WeakPolarHBondContact O-CB 3.49Å; R66-K69 PolarHBondContact O-N 2.65Å; R66-K69 VanDerWaalsContact O-N 3.12Å; R66-T70 PolarHBondContact O-N 3.28Å |
| 67 | H | 84.7 | Confident | 74.2 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 13% | 0.134 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63 | -36.9 | 176.1 | 168.8 | 71.7 | 0 | 0 | 0 | 113 | C51 C54 F58 N63 L64 K69 T70 H71 | C51-H67 VanDerWaalsContact CB-NE2 3.34Å; C51-H67 WeakPolarHBondContact CB-NE2 3.41Å; C51-H67 PolarHBondContact SG-CD2 2.8Å; C51-H67 PolarHBondContact SG-NE2 2.83Å; C54-H67 VanDerWaalsContact SG-CE1 3.58Å; C54-H67 PolarHBondContact SG-NE2 3.2Å; F58-H67 HydrophobicContact CE1-CB 3.83Å; F58-H67 HydrophobicContact CE2-CB 3.96Å; F58-H67 AromaticContact CE2-CD2 3.29Å; F58-H67 WeakPolarHBondContact CE2-CD2 3.49Å; F58-H67 AromaticContact CE2-CG 3.64Å; F58-H67 AromaticContact CE2-NE2 3.87Å; F58-H67 HydrophobicContact CZ-CB 3.39Å; F58-H67 AromaticContact CZ-CD2 3.31Å; F58-H67 WeakPolarHBondContact CZ-CD2 3.43Å; F58-H67 AromaticContact CZ-CG 3.14Å; F58-H67 AromaticContact CZ-ND1 3.63Å; F58-H67 AromaticContact CZ-NE2 3.83Å; N63-H67 VanDerWaalsContact O-CB 3.24Å; N63-H67 WeakPolarHBondContact O-CB 2.86Å; N63-H67 PolarHBondContact O-N 3.08Å; L64-H67 PolarHBondContact O-N 3.32Å; H67-K69 PolarHBondContact O-N 3.39Å; H67-T70 WeakPolarHBondContact O-CA 3.28Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.36Å; H67-T70 PolarHBondContact O-OG1 2.89Å; H67-H71 AromaticContact CD2-NE2 3.9Å; H67-H71 AromaticContact CE1-NE2 3.38Å; H67-H71 PolarHBondContact CE1-NE2 2.75Å; H67-H71 AromaticContact NE2-CD2 3.75Å; H67-H71 AromaticContact NE2-NE2 3.07Å; H67-H71 PolarHBondContact NE2-NE2 3.1Å; H67-H71 PolarHBondContact O-N 3.13Å |
| 68 | K | 82.5 | Confident | 73.1 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 172.8 | -77 | 179.3 | 176.9 | -174.8 | 0 | 112.1 | Y53 L64 L65 R66 T70 H71 E72 | Y53-K68 HydrophobicContact CD2-CG 4.44Å; Y53-K68 HydrophobicContact CE2-CG 4.16Å; L64-K68 HydrophobicContact CD1-CG 4.2Å; L64-K68 WeakPolarHBondContact O-CG 3.27Å; L64-K68 PolarHBondContact O-N 2.69Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 2.91Å; R66-K68 VanDerWaalsContact C-N 3.33Å; R66-K68 PolarHBondContact O-N 3.12Å; K68-T70 PolarHBondContact O-N 3.48Å; K68-H71 WeakPolarHBondContact O-CB 3.41Å; K68-H71 PolarHBondContact O-N 3.5Å; K68-H71 VanDerWaalsContact O-N 3.12Å; K68-E72 PolarHBondContact O-N 3.41Å |
| 69 | K | 84 | Confident | 71.7 | Confident | 145 Ų | 145 | 88.7 Ų | 88.7 | 63% | 0.63 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.3 | -26.1 | 173.2 | -61 | 179.3 | 179.8 | -178.1 | 0 | 112.7 | L65 R66 H67 H71 E72 S73 | L65-K69 PolarHBondContact O-N 3.23Å; R66-K69 WeakPolarHBondContact O-CB 3.49Å; R66-K69 PolarHBondContact O-N 2.65Å; R66-K69 VanDerWaalsContact O-N 3.12Å; H67-K69 PolarHBondContact O-N 3.39Å; K69-H71 VanDerWaalsContact C-N 3.32Å; K69-E72 PolarHBondContact O-N 3.36Å; K69-S73 PolarHBondContact O-N 3.45Å; K69-S73 PolarHBondContact O-OG 3.36Å |
| 70 | T | 82.6 | Confident | 70.4 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 171.9 | -47.5 | 0 | 0 | 0 | 0 | 111.3 | R66 H67 K68 E72 S73 S74 | R66-T70 PolarHBondContact O-N 3.28Å; H67-T70 WeakPolarHBondContact O-CA 3.28Å; H67-T70 WeakPolarHBondContact O-CB 3.4Å; H67-T70 PolarHBondContact O-N 3.36Å; H67-T70 PolarHBondContact O-OG1 2.89Å; K68-T70 PolarHBondContact O-N 3.48Å; T70-E72 VanDerWaalsContact C-N 3.3Å; T70-E72 PolarHBondContact O-N 2.78Å; T70-S73 WeakPolarHBondContact CA-OG 3.12Å; T70-S73 PolarHBondContact O-N 3.48Å; T70-S73 PolarHBondContact O-OG 3.31Å; T70-S74 WeakPolarHBondContact O-CB 3.36Å; T70-S74 PolarHBondContact O-N 3.31Å; T70-S74 PolarHBondContact O-OG 3.39Å; T70-S74 VanDerWaalsContact O-OG 3.11Å |
| 71 | H | 78.7 | Confident | 68.9 | Low | 30 Ų | 30 | 97.6 Ų | 97.6 | 14% | 0.139 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 172.4 | -72.7 | -69.3 | 0 | 0 | 0 | 112.7 | C51 Y53 C54 H67 K68 K69 | C51-H71 PolarHBondContact SG-NE2 3.29Å; Y53-H71 HydrophobicContact CD2-CB 4.24Å; Y53-H71 AromaticContact CD2-CD2 3.7Å; Y53-H71 AromaticContact CD2-CG 3.94Å; C54-H71 PolarHBondContact SG-NE2 2.91Å; C54-H71 VanDerWaalsContact SG-NE2 3.44Å; H67-H71 AromaticContact CD2-NE2 3.9Å; H67-H71 AromaticContact CE1-NE2 3.38Å; H67-H71 PolarHBondContact CE1-NE2 2.75Å; H67-H71 AromaticContact NE2-CD2 3.75Å; H67-H71 AromaticContact NE2-NE2 3.07Å; H67-H71 PolarHBondContact NE2-NE2 3.1Å; H67-H71 PolarHBondContact O-N 3.13Å; K68-H71 WeakPolarHBondContact O-CB 3.41Å; K68-H71 PolarHBondContact O-N 3.5Å; K68-H71 VanDerWaalsContact O-N 3.12Å; K69-H71 VanDerWaalsContact C-N 3.32Å |
| 72 | E | 72.9 | Confident | 67.3 | Low | 168 Ų | 168 | 96 Ų | 96 | 79% | 0.785 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.3 | -43.9 | 176.9 | -171.3 | 174.8 | -175 | 0 | 0 | 112 | K68 K69 T70 | K68-E72 PolarHBondContact O-N 3.41Å; K69-E72 PolarHBondContact O-N 3.36Å; T70-E72 VanDerWaalsContact C-N 3.3Å; T70-E72 PolarHBondContact O-N 2.78Å |
| 73 | S | 67.5 | Low | 65.2 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 67% | 0.671 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -81 | -31.6 | -177.3 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | K69 T70 G75 | K69-S73 PolarHBondContact O-N 3.45Å; K69-S73 PolarHBondContact O-OG 3.36Å; T70-S73 WeakPolarHBondContact CA-OG 3.12Å; T70-S73 PolarHBondContact O-N 3.48Å; T70-S73 PolarHBondContact O-OG 3.31Å; S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.46Å |
| 74 | S | 61 | Low | 63 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.1 | 5.5 | -177.6 | -59.5 | 0 | 0 | 0 | 0 | 114.2 | T70 V76 | T70-S74 WeakPolarHBondContact O-CB 3.36Å; T70-S74 PolarHBondContact O-N 3.31Å; T70-S74 PolarHBondContact O-OG 3.39Å; T70-S74 VanDerWaalsContact O-OG 3.11Å; S74-V76 PolarHBondContact O-N 2.81Å |
| 75 | G | 57.8 | Low | 60.8 | Low | 61 Ų | 61 | 111.4 Ų | 111.4 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | trans | 63.3 | 11 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S73 L77 | S73-G75 VanDerWaalsContact C-N 3.28Å; S73-G75 PolarHBondContact O-N 3.46Å; G75-L77 PolarHBondContact O-N 2.9Å | ||
| 76 | V | 53.5 | Low | 58.4 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | trans | -80.8 | 71.5 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 108 | S74 V78 | S74-V76 PolarHBondContact O-N 2.81Å; V76-V78 HydrophobicContact CG1-CG2 3.65Å; V76-V78 PolarHBondContact O-N 3.07Å | ||
| 77 | L | 53.3 | Low | 55.8 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | trans | -69.9 | 71.3 | 163.4 | -81.7 | 165.1 | 0 | 0 | 0 | 108.6 | G75 K79 | G75-L77 PolarHBondContact O-N 2.9Å; L77-K79 HydrophobicContact CB-CG 4.46Å; L77-K79 PolarHBondContact O-N 2.94Å | ||
| 78 | V | 50.8 | Low | 53.5 | Low | 85 Ų | 85 | 118.7 Ų | 118.7 | 52% | 0.515 | 64% | 0.643 | S | S | . | * | trans | -71.9 | 89.8 | 159.6 | 178.9 | 0 | 0 | 0 | 0 | 105.9 | V76 R80 | V76-V78 HydrophobicContact CG1-CG2 3.65Å; V76-V78 PolarHBondContact O-N 3.07Å; V78-R80 PolarHBondContact O-N 3.38Å | ||
| 79 | K | 44.2 | Very low | 51.3 | Low | 180 Ų | 180 | 120.5 Ų | 120.5 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | trans | -64.1 | 77 | 172.8 | -66.6 | 179 | 179.5 | 175.8 | 0 | 109.6 | L77 | L77-K79 HydrophobicContact CB-CG 4.46Å; L77-K79 PolarHBondContact O-N 2.94Å | ||
| 80 | R | 41.9 | Very low | 48.8 | Very low | 218 Ų | 218 | 118.7 Ų | 118.7 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | trans | -137.5 | 66.2 | 155.2 | -77.9 | -170.7 | 177.2 | 165.2 | -1.1 | 108.9 | V78 | V78-R80 PolarHBondContact O-N 3.38Š| ||
| 81 | A | 42 | Very low | 46.3 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | trans | -81.5 | 131.8 | 149 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 82 | P | 45.2 | Very low | 44.3 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -111.6 | 115.9 | 135.5 | 29.9 | -26.6 | 0 | 0 | 0 | 109.7 | R84 | P82-R84 PolarHBondContact O-N 3.41Š| ||
| 83 | A | 35.9 | Very low | 42.2 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -1.2 | 106.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 84 | R | 33.7 | Very low | 40.6 | Very low | 218 Ų | 218 | 128.4 Ų | 128.4 | 82% | 0.823 | 70% | 0.7 | S | S | * | * | 171.3 | 134.2 | 120.5 | -89.9 | 161.4 | -164.7 | -111.4 | 4.1 | 108.4 | P82 | P82-R84 PolarHBondContact O-N 3.41Š| |||
| 85 | P | 35.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -68.6 | 130.2 | 164.6 | -1.7 | 18.6 | 0 | 0 | 0 | 106.7 | ||
| 86 | L | 35.2 | Very low | 38.2 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 80.5 | 132.9 | -175.5 | -42.7 | 169.2 | 0 | 0 | 0 | 112 | ||
| 87 | E | 29.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | 76.1 | 71.2 | 177.6 | -42.8 | -60.7 | 101 | 0 | 0 | 117.3 | I89 | E87-I89 WeakPolarHBondContact OE2-CD1 3.35Š| ||
| 88 | L | 36.4 | Very low | 36.4 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -138 | 76.3 | 140.5 | -158.4 | 64.7 | 0 | 0 | 0 | 109.8 | C90 | L88-C90 PolarHBondContact O-N 3.2Š| ||
| 89 | I | 35.3 | Very low | 35.4 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 57% | 0.574 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 101.3 | 162.3 | -46.7 | 125 | 0 | 0 | 0 | 105.2 | E87 Q91 | E87-I89 WeakPolarHBondContact OE2-CD1 3.35Å; I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.94Å; I89-Q91 VanDerWaalsContact O-N 3.1Å | ||
| 90 | C | 32.5 | Very low | 34.9 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -67.6 | 107.1 | 153.9 | -77.7 | 0 | 0 | 0 | 0 | 105.1 | L88 T92 | L88-C90 PolarHBondContact O-N 3.2Å; C90-T92 PolarHBondContact O-N 2.98Å | ||
| 91 | Q | 30.2 | Very low | 34.6 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -38.8 | 94.1 | 179.6 | -65 | 156 | 14.4 | 0 | 0 | 111.6 | I89 | I89-Q91 VanDerWaalsContact C-N 3.32Å; I89-Q91 PolarHBondContact O-N 2.94Å; I89-Q91 VanDerWaalsContact O-N 3.1Å | ||
| 92 | T | 35.2 | Very low | 34.4 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | -108.6 | 82.5 | 135.6 | 60.3 | 0 | 0 | 0 | 0 | 104.5 | C90 | C90-T92 PolarHBondContact O-N 2.98Š| ||
| 93 | D | 29.8 | Very low | 33.9 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | -44.5 | 139.6 | 143.1 | -64.6 | -69 | 0 | 0 | 0 | 107 | ||||
| 94 | E | 34 | Very low | 34.1 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 89.6 | 81.4 | -176.3 | -39.8 | -96.3 | 92.7 | 0 | 0 | 114.1 | P96 | E94-P96 VanDerWaalsContact C-CD 3.43Å; E94-P96 WeakPolarHBondContact O-CD 3.38Å | ||
| 95 | M | 33.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | trans | -84.7 | 95.8 | 153 | -66.4 | -84.6 | 108.6 | 0 | 0 | 108.9 | ||||
| 96 | P | 34.8 | Very low | 34.8 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | trans | -92.3 | 102.3 | 157.6 | 33 | -27.4 | 0 | 0 | 0 | 107.2 | E94 R98 | E94-P96 VanDerWaalsContact C-CD 3.43Å; E94-P96 WeakPolarHBondContact O-CD 3.38Å; P96-R98 PolarHBondContact O-N 3.15Å | ||
| 97 | M | 35.1 | Very low | 34.9 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -53.3 | 98.7 | 147.3 | -74.1 | -76.6 | -142.6 | 0 | 0 | 106 | S99 | M97-S99 PolarHBondContact O-N 2.95Š| ||
| 98 | R | 33.6 | Very low | 35.3 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -70.6 | 79.2 | 166.8 | -79.1 | -173.5 | 167.9 | -149 | -1.3 | 107.3 | P96 V100 | P96-R98 PolarHBondContact O-N 3.15Å; R98-V100 PolarHBondContact O-N 3.18Å; R98-V100 VanDerWaalsContact O-N 3.14Å | ||
| 99 | S | 29.5 | Very low | 35.5 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 102.8 | 154.5 | 51.9 | 0 | 0 | 0 | 0 | 106.5 | M97 A101 | M97-S99 PolarHBondContact O-N 2.95Å; S99-A101 PolarHBondContact O-N 3.05Å | ||
| 100 | V | 35.1 | Very low | 35.7 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 91.8 | 161.7 | -70.7 | 0 | 0 | 0 | 0 | 106.9 | R98 V102 | R98-V100 PolarHBondContact O-N 3.18Å; R98-V100 VanDerWaalsContact O-N 3.14Å; V100-V102 PolarHBondContact O-N 3.13Å | ||
| 101 | A | 34.3 | Very low | 36.6 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 103.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | S99 D103 | S99-A101 PolarHBondContact O-N 3.05Å; A101-D103 PolarHBondContact O-N 3.08Å | ||
| 102 | V | 37.6 | Very low | 37.1 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -71.8 | 109.7 | 164 | -88.2 | 0 | 0 | 0 | 0 | 107 | V100 | V100-V102 PolarHBondContact O-N 3.13Š| ||
| 103 | D | 34.9 | Very low | 37.5 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -86.5 | 127.2 | 170 | 57 | -5.2 | 0 | 0 | 0 | 110.2 | A101 S105 | A101-D103 PolarHBondContact O-N 3.08Å; D103-S105 PolarHBondContact O-N 3.03Å | ||
| 104 | S | 39.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -81 | 65.3 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 105 | S | 43.1 | Very low | 38.4 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -175.3 | 114.4 | 170.1 | 43.2 | 0 | 0 | 0 | 0 | 115 | D103 | D103-S105 PolarHBondContact O-N 3.03Š| ||
| 106 | G | 42.4 | Very low | 38.6 | Very low | 68 Ų | 68 | 142.9 Ų | 142.9 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 80 | 100.4 | 130.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 107 | F | 35.9 | Very low | 39.4 | Very low | 219 Ų | 219 | 143.7 Ų | 143.7 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | trans | 30.1 | 111.9 | 138 | -74.4 | -93 | 0 | 0 | 0 | 118.9 | ||||
| 108 | G | 37.5 | Very low | 39.6 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 179 | 83.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 109 | K | 41.2 | Very low | 40.1 | Very low | 201 Ų | 201 | 134.7 Ų | 134.7 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 42 | 108.6 | 148.8 | -75 | 169.2 | 178.9 | 171 | 0 | 119.8 | M111 | K109-M111 PolarHBondContact O-N 2.73Š| ||
| 110 | L | 39 | Very low | 40.3 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -52.8 | 121 | 153.6 | -132 | 75.7 | 0 | 0 | 0 | 110.7 | ||||
| 111 | M | 51.3 | Low | 40.4 | Very low | 168 Ų | 168 | 133 Ų | 133 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 111.5 | 158.7 | -81.7 | -70.5 | -174.6 | 0 | 0 | 107.6 | K109 H113 | K109-M111 PolarHBondContact O-N 2.73Å; M111-H113 PolarHBondContact O-N 2.86Å | ||
| 112 | H | 41.3 | Very low | 40.6 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -63 | 113.9 | 163.6 | -93.3 | -104.3 | 0 | 0 | 0 | 108 | ||||
| 113 | H | 43.6 | Very low | 40.3 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -105.3 | 109.6 | 163.1 | -138.7 | -83 | 0 | 0 | 0 | 108.9 | M111 F115 | M111-H113 PolarHBondContact O-N 2.86Å; H113-F115 AromaticContact ND1-CE2 3.77Å | ||
| 114 | Q | 36.9 | Very low | 40.9 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 132.3 | 167.5 | -64 | -173.8 | -13.5 | 0 | 0 | 108.7 | ||||
| 115 | F | 45.4 | Very low | 40.6 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -120.4 | 101.7 | 157.8 | -92.5 | -85.2 | 0 | 0 | 0 | 107.9 | H113 | H113-F115 AromaticContact ND1-CE2 3.77Š| ||
| 116 | S | 38.6 | Very low | 40 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -67.6 | 118.2 | 154.1 | 48.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 117 | S | 51.1 | Low | 39.5 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -154.2 | 110 | 152.2 | -164.2 | 0 | 0 | 0 | 0 | 109.5 | A119 | S117-A119 PolarHBondContact O-N 2.94Š| ||
| 118 | S | 38.8 | Very low | 39.4 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -68.5 | 112 | 170.4 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 119 | A | 44.9 | Very low | 39.6 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -133.5 | 123.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | S117 A121 | S117-A119 PolarHBondContact O-N 2.94Å; A119-A121 PolarHBondContact O-N 3.39Å | ||
| 120 | A | 34.2 | Very low | 39.5 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -56 | 114.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V122 | A120-V122 PolarHBondContact O-N 3.05Å; A120-V122 VanDerWaalsContact O-N 3.13Å | ||
| 121 | A | 37 | Very low | 39.7 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -74.9 | 97.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | A119 S123 | A119-A121 PolarHBondContact O-N 3.39Å; A121-S123 PolarHBondContact O-N 3.5Å | ||
| 122 | V | 38.2 | Very low | 39.1 | Very low | 134 Ų | 134 | 131 Ų | 131 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 112.2 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | A120 | A120-V122 PolarHBondContact O-N 3.05Å; A120-V122 VanDerWaalsContact O-N 3.13Å | ||
| 123 | S | 31.7 | Very low | 39 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | trans | -58.1 | 127.5 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | A121 E125 | A121-S123 PolarHBondContact O-N 3.5Å; S123-E125 PolarHBondContact O-N 2.84Å | ||
| 124 | P | 47.1 | Very low | 38.7 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 103.4 | 157.4 | 29.9 | -26 | 0 | 0 | 0 | 107.7 | G126 | P124-G126 PolarHBondContact O-N 2.91Š| ||
| 125 | E | 33.6 | Very low | 38.9 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -46.6 | 122.2 | 163.2 | -64.3 | -80.7 | 121.4 | 0 | 0 | 110.4 | S123 | S123-E125 PolarHBondContact O-N 2.84Š| ||
| 126 | G | 31.1 | Very low | 38.5 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | 103.3 | 78.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118 | P124 | P124-G126 PolarHBondContact O-N 2.91Š| ||
| 127 | C | 30.8 | Very low | 38.6 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | trans | -131.8 | 99.5 | 135 | -143.7 | 0 | 0 | 0 | 0 | 106.9 | D129 | C127-D129 PolarHBondContact O-N 3.42Å; C127-D129 VanDerWaalsContact O-N 3.11Å | ||
| 128 | F | 34.5 | Very low | 38.5 | Very low | 179 Ų | 179 | 124 Ų | 124 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -76.1 | 97.2 | 175.5 | -161.4 | -103.3 | 0 | 0 | 0 | 106.8 | Q130 | F128-Q130 HydrophobicContact CD1-CB 3.75Å; F128-Q130 HydrophobicContact CE1-CB 3.92Å; F128-Q130 HydrophobicContact CE1-CG 4.42Å; F128-Q130 PolarHBondContact O-N 3.5Å | ||
| 129 | D | 41.5 | Very low | 38.9 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -67.4 | 79.8 | 172.9 | -79.4 | -60.2 | 0 | 0 | 0 | 109.4 | C127 | C127-D129 PolarHBondContact O-N 3.42Å; C127-D129 VanDerWaalsContact O-N 3.11Å | ||
| 130 | Q | 39.5 | Very low | 38.7 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | trans | -112 | 68 | 163.9 | -160.5 | 164.7 | 32.9 | 0 | 0 | 108.1 | F128 | F128-Q130 HydrophobicContact CD1-CB 3.75Å; F128-Q130 HydrophobicContact CE1-CB 3.92Å; F128-Q130 HydrophobicContact CE1-CG 4.42Å; F128-Q130 PolarHBondContact O-N 3.5Å | ||
| 131 | D | 42 | Very low | 39.3 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 36% | 0.358 | 70% | 0.702 | S | S | . | * | trans | -113 | 97.6 | 164.7 | -82.1 | -30.6 | 0 | 0 | 0 | 107.7 | R47 K56 S133 | R47-D131 IonicContact NH1-OD2 3.91Å; K56-D131 IonicContact NZ-OD1 2.79Å; K56-D131 PolarHBondContact NZ-OD1 3.38Å; D131-S133 PolarHBondContact O-N 3.07Å | ||
| 132 | Q | 39.2 | Very low | 39.5 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | trans | -53.2 | 73.3 | 137.9 | -76 | 160.1 | -20.1 | 0 | 0 | 107.7 | T134 | Q132-T134 VanDerWaalsContact C-N 3.27Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | S | 40.4 | Very low | 40 | Very low | 71 Ų | 71 | 131.9 Ų | 131.9 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | trans | -68.1 | 104.1 | 153.1 | 56.1 | 0 | 0 | 0 | 0 | 103.9 | D131 Y135 | D131-S133 PolarHBondContact O-N 3.07Å; S133-Y135 PolarHBondContact O-N 2.98Å; S133-Y135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | T | 36.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 64% | 0.638 | 70% | 0.703 | S | S | * | * | trans | -37 | 122.4 | 156.5 | 51.9 | 0 | 0 | 0 | 0 | 106.3 | Q132 D136 | Q132-T134 VanDerWaalsContact C-N 3.27Å; Q132-T134 PolarHBondContact O-N 3.19Å; Q132-T134 VanDerWaalsContact O-N 3.08Å; T134-D136 PolarHBondContact O-N 3.43Å | ||
| 135 | Y | 40.5 | Very low | 40.1 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | trans | -54.6 | 103.2 | 157.4 | -69.4 | -89.7 | 0 | 0 | 0 | 103.2 | S133 E137 | S133-Y135 PolarHBondContact O-N 2.98Å; S133-Y135 VanDerWaalsContact O-N 3.1Å; Y135-E137 PolarHBondContact O-N 3.41Å | ||
| 136 | D | 37.5 | Very low | 40.5 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -61.9 | 94.7 | 156.3 | -67.7 | -39.2 | 0 | 0 | 0 | 101.6 | T134 E138 | T134-D136 PolarHBondContact O-N 3.43Å; D136-E138 PolarHBondContact O-N 3.14Å | ||
| 137 | E | 41.4 | Very low | 41.1 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | trans | -53.3 | 99.8 | 160 | -67.2 | -177.8 | 143.8 | 0 | 0 | 103.5 | Y135 E139 | Y135-E137 PolarHBondContact O-N 3.41Å; E137-E139 PolarHBondContact O-N 2.83Å | ||
| 138 | E | 47.5 | Very low | 41.4 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 46% | 0.458 | 69% | 0.687 | S | S | . | * | trans | -69.3 | 80.6 | 170.9 | -67.3 | -173.8 | 166.7 | 0 | 0 | 105.2 | K38 D136 D140 | K38-E138 WeakPolarHBondContact CE-OE1 3.3Å; K38-E138 IonicContact NZ-OE1 2.65Å; K38-E138 PolarHBondContact NZ-OE1 2.79Å; D136-E138 PolarHBondContact O-N 3.14Å; E138-D140 PolarHBondContact O-N 3.37Å | ||
| 139 | E | 48.7 | Very low | 41.4 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -55.7 | 123.4 | 154.6 | -73.9 | -173.1 | 154.1 | 0 | 0 | 106.1 | E137 D141 | E137-E139 PolarHBondContact O-N 2.83Å; E139-D141 PolarHBondContact O-N 3.05Å | ||
| 140 | D | 40.2 | Very low | 41.1 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | trans | -60.7 | 81.6 | 178 | -70.9 | -78.7 | 0 | 0 | 0 | 109.5 | K17 E138 | K17-D140 IonicContact NZ-OD1 2.69Å; K17-D140 PolarHBondContact NZ-OD1 2.98Å; K17-D140 IonicContact NZ-OD2 3.73Å; E138-D140 PolarHBondContact O-N 3.37Å | ||
| 141 | D | 46.9 | Very low | 40.9 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 68% | 0.683 | S | S | * | * | trans | -116.9 | 100.9 | 164.7 | -75 | -46 | 0 | 0 | 0 | 109.1 | E139 E143 | E139-D141 PolarHBondContact O-N 3.05Å; D141-E143 PolarHBondContact O-N 3.49Å; D141-E143 VanDerWaalsContact O-N 3.12Å | ||
| 142 | D | 40.7 | Very low | 41 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 60% | 0.599 | 70% | 0.701 | S | S | * | * | trans | -51.8 | 106 | 169 | -69.3 | -68.6 | 0 | 0 | 0 | 111.5 | Y15 | Y15-D142 VanDerWaalsContact CE2-OD1 3.25Å; Y15-D142 WeakPolarHBondContact CE2-OD1 3.37Å; Y15-D142 WeakPolarHBondContact CE2-OD2 3.03Å; Y15-D142 VanDerWaalsContact CZ-OD1 3.26Å; Y15-D142 PolarHBondContact OH-OD1 2.92Å | ||
| 143 | E | 49.4 | Very low | 41.2 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | -135.9 | 109.3 | 152.6 | -157.2 | 156.1 | -165.6 | 0 | 0 | 111.1 | D141 I145 | D141-E143 PolarHBondContact O-N 3.49Å; D141-E143 VanDerWaalsContact O-N 3.12Å; E143-I145 PolarHBondContact O-N 3.2Å | ||
| 144 | Q | 39.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -60 | 104.6 | 176.6 | -63.4 | -176.1 | 45.3 | 0 | 0 | 109.7 | E146 | Q144-E146 PolarHBondContact O-N 3.35Š| ||
| 145 | I | 41 | Very low | 41 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -93.2 | 86.1 | 155 | 27.6 | 171.3 | 0 | 0 | 0 | 107.5 | E143 E147 | E143-I145 PolarHBondContact O-N 3.2Å; I145-E147 PolarHBondContact O-N 3.37Å; I145-E147 VanDerWaalsContact O-N 3.14Å | ||
| 146 | E | 42.2 | Very low | 40.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -60.2 | 106.4 | 154.9 | -69.6 | -165.8 | 155.9 | 0 | 0 | 107.7 | Q144 T148 | Q144-E146 PolarHBondContact O-N 3.35Å; E146-T148 PolarHBondContact O-N 3.5Å; E146-T148 VanDerWaalsContact O-N 3.16Å | ||
| 147 | E | 42.2 | Very low | 40.9 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -84 | 82.6 | 159.3 | -152.6 | 174.1 | -155.3 | 0 | 0 | 106.6 | I145 I149 | I145-E147 PolarHBondContact O-N 3.37Å; I145-E147 VanDerWaalsContact O-N 3.14Å; E147-I149 VanDerWaalsContact C-N 3.31Å; E147-I149 PolarHBondContact O-N 3Å | ||
| 148 | T | 37.6 | Very low | 41.1 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | trans | -59.9 | 95.3 | 166 | -36.6 | 0 | 0 | 0 | 0 | 107.5 | E146 T150 | E146-T148 PolarHBondContact O-N 3.5Å; E146-T148 VanDerWaalsContact O-N 3.16Å; T148-T150 HydrophobicContact CG2-CG2 3.94Å; T148-T150 PolarHBondContact O-N 3.15Å | ||
| 149 | I | 35.1 | Very low | 40.8 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -73.8 | 79 | 166.8 | -54.6 | 173.4 | 0 | 0 | 0 | 107 | E147 V151 | E147-I149 VanDerWaalsContact C-N 3.31Å; E147-I149 PolarHBondContact O-N 3Å; I149-V151 HydrophobicContact CG2-CG2 4.09Å | ||
| 150 | T | 35 | Very low | 40.5 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 61% | 0.607 | 76% | 0.758 | S | S | * | * | trans | -91.1 | 90.4 | 158.6 | 43.4 | 0 | 0 | 0 | 0 | 108.1 | T148 K152 | T148-T150 HydrophobicContact CG2-CG2 3.94Å; T148-T150 PolarHBondContact O-N 3.15Å; T150-K152 PolarHBondContact O-N 3.28Å | ||
| 151 | V | 35 | Very low | 40.9 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 87.6 | 152.1 | 177.7 | 0 | 0 | 0 | 0 | 106.1 | I149 | I149-V151 HydrophobicContact CG2-CG2 4.09Š| ||
| 152 | K | 44.6 | Very low | 40.7 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 73% | 0.726 | 76% | 0.755 | S | S | * | * | trans | -144.1 | 105.9 | 168.3 | -70.7 | -167.3 | 179 | 176.6 | 0 | 111.2 | T150 | T150-K152 PolarHBondContact O-N 3.28Š| ||
| 153 | Q | 43 | Very low | 40.6 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 81 | 105.6 | 136.9 | -62.3 | 178.8 | -50.1 | 0 | 0 | 117.4 | N155 | Q153-N155 PolarHBondContact O-N 3.03Š| ||
| 154 | D | 33.8 | Very low | 40.3 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -41.7 | 117.7 | 144.3 | -43.9 | -71.6 | 0 | 0 | 0 | 109.6 | ||||
| 155 | N | 39.5 | Very low | 40.5 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -147.9 | 98.3 | 164 | -119.6 | -10.7 | 0 | 0 | 0 | 110.6 | Q153 | Q153-N155 PolarHBondContact O-N 3.03Š| ||
| 156 | S | 38.2 | Very low | 40.8 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | 57.9 | 102 | 128.3 | -155.5 | 0 | 0 | 0 | 0 | 118.8 | K158 | S156-K158 PolarHBondContact O-N 3.4Š| |||
| 157 | S | 37.8 | Very low | 40.8 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -16.3 | 105.4 | 142.8 | -49.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 158 | K | 45.8 | Very low | 40.9 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | 168 | 102.9 | 143.9 | -107.4 | 173.4 | 170.1 | 175.9 | 0 | 109 | S156 | S156-K158 PolarHBondContact O-N 3.4Š| ||
| 159 | E | 40.8 | Very low | 41.1 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -162.9 | 113.2 | 138.5 | -106.5 | 163.7 | 168.6 | 0 | 0 | 107.5 | ||||
| 160 | R | 42.8 | Very low | 41.1 | Very low | 239 Ų | 239 | 147.3 Ų | 147.3 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -132.6 | 88.8 | -172.4 | 175.4 | -153.3 | -64.5 | 159.3 | -1.4 | 103.9 | ||||
| 161 | N | 48.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 149 Ų | 149 | 65% | 0.647 | 80% | 0.804 | S | S | * | * | trans | 172.4 | 134.6 | 177.4 | 36.7 | -25.4 | 0 | 0 | 0 | 105.7 | ||||
| 162 | E | 42.4 | Very low | 42.4 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | cis | 178.1 | 114.6 | 3.1 | -169.4 | 156.2 | -169.6 | 0 | 0 | 102 | Q164 | E162-Q164 HydrophobicContact CG-CB 4.27Š| ||
| 163 | C | 39 | Very low | 42.6 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 97% | 0.973 | 81% | 0.811 | S | S | * | * | trans | -126.9 | 80.1 | 159.9 | -98.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 164 | Q | 41.5 | Very low | 43 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 67% | 0.668 | 82% | 0.819 | S | S | * | * | trans | -83.5 | 123.7 | 170.9 | -166.8 | -172.3 | 25.9 | 0 | 0 | 106.8 | E162 | E162-Q164 HydrophobicContact CG-CB 4.27Š| ||
| 165 | E | 44.3 | Very low | 43.5 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -154.1 | 99.1 | 144.2 | -116.5 | -173.2 | 158.2 | 0 | 0 | 109.7 | ||||
| 166 | T | 47 | Very low | 44 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 133.5 | 161.1 | 47 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 167 | V | 43.7 | Very low | 44.8 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | 161.9 | 124.8 | 125.7 | -84.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 168 | M | 43.9 | Very low | 45.1 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | 65.6 | 117.9 | 137.9 | -49 | -94.6 | -149.5 | 0 | 0 | 121 | ||||
| 169 | A | 40.7 | Very low | 45.6 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | 178.3 | 127.5 | 116.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 170 | A | 36.7 | Very low | 46.1 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -89.9 | 147.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 171 | T | 47.9 | Very low | 46.6 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -152.9 | 98 | 149.4 | 52.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 172 | S | 49.2 | Very low | 46.6 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 49.3 | 117 | 100.6 | 67.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 173 | G | 48.5 | Very low | 46.8 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 156.5 | 80 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 174 | A | 51.5 | Low | 47.1 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 13.3 | 135.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 175 | G | 43.7 | Very low | 47.2 | Very low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 159.1 | 98.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 176 | L | 49.6 | Very low | 47.4 | Very low | 168 Ų | 168 | 125 Ų | 125 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | 51.9 | 133.1 | 134.3 | -52.6 | 171.6 | 0 | 0 | 0 | 118.7 | ||||
| 177 | T | 55.2 | Low | 47.7 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | cis | -168 | 150.5 | -4.9 | 35.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 178 | P | 45.3 | Very low | 48.6 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -97 | 147.2 | -179.9 | 36.1 | -29.3 | 0 | 0 | 0 | 112.2 | ||||
| 179 | S | 54.5 | Low | 48.9 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -159.3 | 118.1 | 155.2 | -81 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 180 | N | 53.1 | Low | 48.9 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | 65.7 | 101.4 | 154.7 | -51 | -31 | 0 | 0 | 0 | 117.7 | ||||
| 181 | I | 51.9 | Low | 49.5 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | -155.2 | 126.4 | 120.6 | -88.6 | 141.5 | 0 | 0 | 0 | 107.9 | |||||
| 182 | L | 49.2 | Very low | 49.5 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -78.3 | 130.2 | -172.7 | -153 | 79.6 | 0 | 0 | 0 | 110.8 | ||||
| 183 | L | 47.1 | Very low | 49.6 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | 18.9 | 118.8 | 141.3 | -158.1 | 71.8 | 0 | 0 | 0 | 119.5 | ||||
| 184 | A | 43.6 | Very low | 49.8 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -160.2 | 109.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 185 | A | 45.5 | Very low | 50 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -72.9 | 134.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 186 | V | 47.6 | Very low | 50.5 | Low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -132.1 | 112.5 | 165.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 187 | T | 54.3 | Low | 50.7 | Low | 116 Ų | 116 | 131.3 Ų | 131.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 143.8 | 167.1 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 188 | P | 62 | Low | 50.7 | Low | 135 Ų | 135 | 133.2 Ų | 133.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 116.2 | 160.4 | 29.1 | -26 | 0 | 0 | 0 | 109.9 | ||
| 189 | K | 49.3 | Very low | 51.1 | Low | 184 Ų | 184 | 131.7 Ų | 131.7 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 129.2 | 177.1 | -148.7 | 177.9 | -177.2 | -179.6 | 0 | 109 | ||
| 190 | T | 42.2 | Very low | 51 | Low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 19 | 129.9 | 148.6 | 63.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 191 | T | 48 | Very low | 51.4 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -136.2 | 117 | 143.2 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 192 | S | 47.7 | Very low | 51.8 | Low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -91 | 143.3 | 172.1 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 193 | T | 52.6 | Low | 52 | Low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -159.1 | 97.1 | 154.5 | -65.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 194 | S | 52.7 | Low | 52.9 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | 98.4 | 115.2 | 79 | -73 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 195 | Q | 54.7 | Low | 53.9 | Low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 74.5 | 134.4 | 137.4 | -62.5 | -165.6 | 68.3 | 0 | 0 | 117 | ||||
| 196 | L | 54 | Low | 54.7 | Low | 134 Ų | 134 | 133.8 Ų | 133.8 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | cis | -166.2 | 156.4 | 7.1 | -98.3 | 156.4 | 0 | 0 | 0 | 106.6 | ||||
| 197 | P | 53.4 | Low | 55.1 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -112.5 | 130.1 | 172.8 | 36.2 | -24.1 | 0 | 0 | 0 | 113 | ||||
| 198 | I | 56.5 | Low | 55.1 | Low | 163 Ų | 163 | 134.7 Ų | 134.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -173 | 147.6 | 168.5 | 14.7 | 174.4 | 0 | 0 | 0 | 106.9 | ||||
| 199 | A | 54.3 | Low | 54.8 | Low | 90 Ų | 90 | 134.7 Ų | 134.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | cis | -161 | 169.3 | -2.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 200 | T | 51.7 | Low | 55.1 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -62.8 | 170.3 | -179.5 | 42.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 201 | S | 60.8 | Low | 55.9 | Low | 84 Ų | 84 | 132.4 Ų | 132.4 | 59% | 0.587 | 80% | 0.795 | S | S | * | * | trans | 74.8 | 141.3 | 155.5 | 59.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 202 | F | 60.4 | Low | 56.4 | Low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | cis | -152.3 | 154.4 | 38 | -78.8 | -94 | 0 | 0 | 0 | 112.1 | ||||
| 203 | G | 54.6 | Low | 57 | Low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -82.2 | 152.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 204 | V | 65.6 | Low | 57.4 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -141.2 | 123.4 | 161.9 | 177.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 205 | T | 63.7 | Low | 57.8 | Low | 133 Ų | 133 | 138.2 Ų | 138.2 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -78.8 | 144.9 | 166.5 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 206 | N | 63.7 | Low | 58 | Low | 237 Ų | 237 | 135.4 Ų | 135.4 | 100% | 1.267 | 81% | 0.812 | S | S | * | * | trans | -144.4 | 0 | 143.6 | -151.4 | -4.8 | 0 | 0 | 0 | 107.7 |
Retrieved 206 of 206 residues in 285.4 ms
(Link to these results)