| 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 | 46.7 | Very low | 48.1 | Very low | 250 Ų | 250 | 160.2 Ų | 160.2 | 100% | 1.232 | 82% | 0.817 | S | S | * | * | 0 | 108.3 | 0 | -69.6 | -173.1 | 171.3 | 0 | 0 | 105.4 | |||||
| 2 | A | 49.3 | Very low | 47.5 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -101.1 | 108.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | D | 51.5 | Low | 47.8 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -96 | 106.2 | 168.7 | -131.1 | -112.5 | 0 | 0 | 0 | 105.7 | ||||
| 4 | H | 50.6 | Low | 48.3 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | trans | -101.9 | 101.2 | 165.8 | -118 | -76.9 | 0 | 0 | 0 | 105 | D6 | H4-D6 PolarHBondContact O-N 3.25Š| ||
| 5 | E | 48.6 | Very low | 49.2 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -73 | 104.7 | 168.7 | -72.6 | 178.2 | 96 | 0 | 0 | 108 | H7 | E5-H7 PolarHBondContact O-N 3.05Š| ||
| 6 | D | 48 | Very low | 50.5 | Low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -64 | 98.9 | 166.2 | -81.9 | -73.7 | 0 | 0 | 0 | 109.1 | H4 E8 | H4-D6 PolarHBondContact O-N 3.25Å; D6-E8 PolarHBondContact O-N 3.05Å | ||
| 7 | H | 48 | Very low | 52.7 | Low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -71 | 94.5 | 168 | -73.5 | -60.4 | 0 | 0 | 0 | 109.8 | E5 F9 | E5-H7 PolarHBondContact O-N 3.05Å; H7-F9 VanDerWaalsContact C-N 3.33Å; H7-F9 PolarHBondContact O-N 3.09Å | ||
| 8 | E | 46.6 | Very low | 55 | Low | 162 Ų | 162 | 132.3 Ų | 132.3 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -68.2 | 88.6 | 168.8 | -160.3 | 175.3 | 100 | 0 | 0 | 109.6 | D6 H10 | D6-E8 PolarHBondContact O-N 3.05Å; E8-H10 PolarHBondContact O-N 3.04Å; E8-H10 IonicContact OE1-CE1 2.62Å; E8-H10 PolarHBondContact OE1-CE1 2.94Å; E8-H10 IonicContact OE1-ND1 3.29Å | ||
| 9 | F | 48.9 | Very low | 57.1 | Low | 185 Ų | 185 | 126.7 Ų | 126.7 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -72.8 | 95 | 175.4 | -123 | -93.7 | 0 | 0 | 0 | 109.2 | H7 T11 | H7-F9 VanDerWaalsContact C-N 3.33Å; H7-F9 PolarHBondContact O-N 3.09Å; F9-T11 PolarHBondContact O-N 3.24Å; F9-T11 VanDerWaalsContact O-N 3.08Å | ||
| 10 | H | 44.8 | Very low | 59 | Low | 151 Ų | 151 | 125.4 Ų | 125.4 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | -68.1 | 100.7 | 162.8 | -84 | 29.1 | 0 | 0 | 0 | 108.7 | E8 G12 | E8-H10 PolarHBondContact O-N 3.04Å; E8-H10 IonicContact OE1-CE1 2.62Å; E8-H10 PolarHBondContact OE1-CE1 2.94Å; E8-H10 IonicContact OE1-ND1 3.29Å; H10-G12 PolarHBondContact O-N 2.62Å | ||
| 11 | T | 46.1 | Very low | 60.8 | Low | 135 Ų | 135 | 123.6 Ų | 123.6 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | trans | -60 | 99.2 | 169.8 | -54 | 0 | 0 | 0 | 0 | 108.7 | F9 D13 | F9-T11 PolarHBondContact O-N 3.24Å; F9-T11 VanDerWaalsContact O-N 3.08Å; T11-D13 PolarHBondContact O-N 3.08Å | ||
| 12 | G | 40.7 | Very low | 63.2 | Low | 52 Ų | 52 | 114.2 Ų | 114.2 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | trans | -64.4 | 115.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | H10 S14 | H10-G12 PolarHBondContact O-N 2.62Å; G12-S14 VanDerWaalsContact C-N 3.31Å; G12-S14 PolarHBondContact O-N 2.84Å; G12-S14 PolarHBondContact O-OG 2.92Å; G12-S14 VanDerWaalsContact O-OG 3.07Å | ||
| 13 | D | 51.8 | Low | 65.4 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | trans | -58.2 | 99.8 | 164 | -173.7 | 50.7 | 0 | 0 | 0 | 107.3 | T11 G15 | T11-D13 PolarHBondContact O-N 3.08Å; D13-G15 PolarHBondContact O-N 2.9Å | ||
| 14 | S | 54.3 | Low | 67.5 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | trans | -77.4 | 73.1 | -167.5 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | G12 A16 | G12-S14 VanDerWaalsContact C-N 3.31Å; G12-S14 PolarHBondContact O-N 2.84Å; G12-S14 PolarHBondContact O-OG 2.92Å; G12-S14 VanDerWaalsContact O-OG 3.07Å; S14-A16 PolarHBondContact O-N 2.97Å | ||
| 15 | G | 61.7 | Low | 69.6 | Low | 76 Ų | 76 | 100.4 Ų | 100.4 | 78% | 0.784 | 57% | 0.567 | S | S | * | * | trans | 45.6 | 25.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | D13 S17 | D13-G15 PolarHBondContact O-N 2.9Å; G15-S17 PolarHBondContact O-N 3.32Å | ||
| 16 | A | 70.9 | Confident | 71.8 | Confident | 66 Ų | 66 | 95.1 Ų | 95.1 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | trans | -71.2 | 122.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | S14 L18 | S14-A16 PolarHBondContact O-N 2.97Å; A16-L18 PolarHBondContact O-N 2.82Å | ||
| 17 | S | 87.7 | Confident | 74.1 | Confident | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 51% | 0.508 | S | S | * | . | trans | -56.2 | 130.2 | 179.3 | -175 | 0 | 0 | 0 | 0 | 110.1 | G15 T19 | G15-S17 PolarHBondContact O-N 3.32Å; S17-T19 VanDerWaalsContact CB-O 3.23Å; S17-T19 WeakPolarHBondContact CB-O 3.39Å; S17-T19 PolarHBondContact O-N 3.22Å; S17-T19 PolarHBondContact OG-N 2.8Å; S17-T19 PolarHBondContact OG-O 3.43Å | ||
| 18 | L | 93 | Very high | 76.4 | Confident | 94 Ų | 94 | 86.9 Ų | 86.9 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -67.4 | -15.9 | 176.4 | -62 | 176.5 | 0 | 0 | 0 | 112.1 | A16 V85 M146 | A16-L18 PolarHBondContact O-N 2.82Å; L18-V85 PolarHBondContact O-N 3.09Å; L18-M146 HydrophobicContact CB-SD 3.9Å |
| 19 | T | 95.6 | Very high | 78.7 | Confident | 26 Ų | 26 | 85.8 Ų | 85.8 | 16% | 0.16 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 162.1 | 178.6 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | S17 L34 D82 V83 M146 | S17-T19 VanDerWaalsContact CB-O 3.23Å; S17-T19 WeakPolarHBondContact CB-O 3.39Å; S17-T19 PolarHBondContact O-N 3.22Å; S17-T19 PolarHBondContact OG-N 2.8Å; S17-T19 PolarHBondContact OG-O 3.43Å; T19-L34 HydrophobicContact CG2-CD2 4.41Å; T19-D82 HydrophobicContact CG2-CB 4.21Å; T19-D82 PolarHBondContact OG1-OD1 2.96Å; T19-V83 CarbonylContact C-O 3.55Å; T19-V83 WeakPolarHBondContact CA-O 3.39Å; T19-V83 WeakPolarHBondContact CB-O 3.16Å; T19-M146 HydrophobicContact CG2-CE 4.1Å; T19-M146 HydrophobicContact CG2-SD 3.51Å; T19-M146 VanDerWaalsContact CG2-SD 3.51Å |
| 20 | F | 95.1 | Very high | 81 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147 | 165.9 | 60.4 | -86 | 0 | 0 | 0 | 110.1 | V83 V85 | F20-V83 HydrophobicContact CD1-CB 4.33Å; F20-V83 HydrophobicContact CD1-CG1 4.46Å; F20-V83 WeakPolarHBondContact CD1-O 3.37Å; F20-V83 HydrophobicContact CD2-CB 4.13Å; F20-V83 HydrophobicContact CE1-CB 3.95Å; F20-V83 HydrophobicContact CE1-CG1 3.63Å; F20-V83 HydrophobicContact CE2-CB 3.74Å; F20-V83 HydrophobicContact CE2-CG1 3.85Å; F20-V83 HydrophobicContact CE2-CG2 4.26Å; F20-V83 HydrophobicContact CG-CB 4.42Å; F20-V83 HydrophobicContact CZ-CB 3.65Å; F20-V83 HydrophobicContact CZ-CG1 3.28Å; F20-V83 PolarHBondContact N-O 3.23Å; F20-V83 PolarHBondContact O-N 2.59Å; F20-V85 HydrophobicContact CD1-CG2 4.01Å; F20-V85 HydrophobicContact CE1-CG2 4.41Å |
| 21 | P | 96.5 | Very high | 83.5 | Confident | 89 Ų | 89 | 77 Ų | 77 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 138 | 179.9 | 29.4 | -34.1 | 0 | 0 | 0 | 111 | N80 | P21-N80 HydrophobicContact CB-CB 4.09Å |
| 22 | K | 96.7 | Very high | 85.9 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.5 | 168.7 | -171.6 | 173.1 | 179.3 | -173.7 | 0 | 109.8 | C24 A26 L27 E31 N80 M81 V83 | K22-C24 PolarHBondContact O-N 2.87Å; K22-A26 WeakPolarHBondContact CE-O 3.25Å; K22-A26 HydrophobicContact CG-CB 4.1Å; K22-A26 PolarHBondContact NZ-O 2.83Å; K22-L27 HydrophobicContact CD-CD2 4.05Å; K22-E31 IonicContact NZ-OE1 2.78Å; K22-E31 PolarHBondContact NZ-OE1 3.5Å; K22-E31 IonicContact NZ-OE2 2.7Å; K22-E31 PolarHBondContact NZ-OE2 3.07Å; K22-N80 WeakPolarHBondContact O-CA 3.4Å; K22-M81 PolarHBondContact N-O 2.97Å; K22-M81 PolarHBondContact O-N 2.88Å; K22-V83 HydrophobicContact CB-CG2 3.56Å; K22-V83 HydrophobicContact CD-CG2 4.19Å; K22-V83 HydrophobicContact CG-CG2 4.49Å |
| 23 | Q | 96.6 | Very high | 88.6 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.7 | 177.6 | -171.6 | 179.8 | -14.3 | 0 | 0 | 110.5 | S25 A26 L27 S77 | Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 VanDerWaalsContact CD-OG 3.23Å; Q23-S25 WeakPolarHBondContact CG-OG 3.39Å; Q23-S25 PolarHBondContact NE2-OG 2.81Å; Q23-S25 PolarHBondContact O-N 3.26Å; Q23-A26 HydrophobicContact CB-CB 4.34Å; Q23-A26 WeakPolarHBondContact O-CA 3.27Å; Q23-A26 VanDerWaalsContact O-CB 3.29Å; Q23-A26 WeakPolarHBondContact O-CB 3.15Å; Q23-A26 PolarHBondContact O-N 2.84Å; Q23-L27 PolarHBondContact O-N 2.99Å; Q23-S77 WeakPolarHBondContact CG-O 3.39Å; Q23-S77 PolarHBondContact NE2-O 3Å; Q23-S77 VanDerWaalsContact NE2-O 3.07Å |
| 24 | C | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -56.4 | -39.2 | -175.7 | -172 | 0 | 0 | 0 | 0 | 112.8 | K22 A26 L27 M45 V58 H79 M81 | K22-C24 PolarHBondContact O-N 2.87Å; C24-A26 PolarHBondContact O-N 2.89Å; C24-L27 WeakPolarHBondContact O-CB 3.45Å; C24-L27 PolarHBondContact O-N 2.92Å; C24-M45 WeakPolarHBondContact O-CE 3.47Å; C24-V58 VanDerWaalsContact SG-CB 3.55Å; C24-H79 WeakPolarHBondContact CB-O 3.46Å; C24-H79 PolarHBondContact N-O 2.9Å; C24-M81 HydrophobicContact CB-CG 3.95Å |
| 25 | S | 93.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -64.7 | -20.5 | 174.3 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | Q23 R28 S77 | Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 VanDerWaalsContact CD-OG 3.23Å; Q23-S25 WeakPolarHBondContact CG-OG 3.39Å; Q23-S25 PolarHBondContact NE2-OG 2.81Å; Q23-S25 PolarHBondContact O-N 3.26Å; S25-R28 PolarHBondContact O-NH1 2.82Å; S25-S77 VanDerWaalsContact CB-O 3.29Å; S25-S77 WeakPolarHBondContact CB-O 3.19Å; S25-S77 PolarHBondContact N-O 2.83Å; S25-S77 VanDerWaalsContact N-O 3.17Å; S25-S77 PolarHBondContact OG-O 2.81Å |
| 26 | A | 95.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 28% | 0.281 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -87.5 | -12 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K22 Q23 C24 R28 | K22-A26 WeakPolarHBondContact CE-O 3.25Å; K22-A26 HydrophobicContact CG-CB 4.1Å; K22-A26 PolarHBondContact NZ-O 2.83Å; Q23-A26 HydrophobicContact CB-CB 4.34Å; Q23-A26 WeakPolarHBondContact O-CA 3.27Å; Q23-A26 VanDerWaalsContact O-CB 3.29Å; Q23-A26 WeakPolarHBondContact O-CB 3.15Å; Q23-A26 PolarHBondContact O-N 2.84Å; C24-A26 PolarHBondContact O-N 2.89Å; A26-R28 VanDerWaalsContact C-NH1 3.31Å; A26-R28 PolarHBondContact O-NH1 3.47Å |
| 27 | L | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -65.3 | 150 | 173.5 | -67.6 | 169.6 | 0 | 0 | 0 | 111.1 | K22 Q23 C24 E31 V33 I42 M45 L60 M81 V83 | K22-L27 HydrophobicContact CD-CD2 4.05Å; Q23-L27 PolarHBondContact O-N 2.99Å; C24-L27 WeakPolarHBondContact O-CB 3.45Å; C24-L27 PolarHBondContact O-N 2.92Å; L27-E31 WeakPolarHBondContact CA-OE2 3.15Å; L27-V33 HydrophobicContact CD1-CB 4.32Å; L27-V33 HydrophobicContact CD1-CG2 3.87Å; L27-V33 HydrophobicContact CD2-CB 4.38Å; L27-I42 HydrophobicContact CB-CD1 3.92Å; L27-I42 HydrophobicContact CD1-CD1 4.27Å; L27-I42 HydrophobicContact CD2-CD1 4.14Å; L27-I42 HydrophobicContact CG-CD1 4.34Å; L27-M45 HydrophobicContact CB-CE 4.4Å; L27-L60 HydrophobicContact CD1-CD1 3.74Å; L27-L60 HydrophobicContact CD1-CD2 4.42Å; L27-M81 HydrophobicContact CD1-CB 4.04Å; L27-M81 HydrophobicContact CD1-CG 3.96Å; L27-V83 HydrophobicContact CD2-CG2 3.96Å | ||
| 28 | R | 95.7 | Very high | 95.9 | Very high | 141 Ų | 141 | 61.7 Ų | 61.7 | 53% | 0.532 | 31% | 0.313 | S | S | . | . | trans | -132.6 | 157.5 | 177.4 | -59.4 | -68 | 179.9 | -93.3 | 0.6 | 111 | S25 A26 E31 | S25-R28 PolarHBondContact O-NH1 2.82Å; A26-R28 VanDerWaalsContact C-NH1 3.31Å; A26-R28 PolarHBondContact O-NH1 3.47Å; R28-E31 HydrophobicContact CB-CG 4Å; R28-E31 PolarHBondContact N-OE2 2.86Å; R28-E31 WeakPolarHBondContact O-CB 3.49Å; R28-E31 PolarHBondContact O-N 2.98Å; R28-E31 VanDerWaalsContact O-N 3.12Å | ||
| 29 | K | 95.7 | Very high | 96.1 | Very high | 138 Ų | 138 | 57.2 Ų | 57.2 | 60% | 0.6 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 140.9 | 169.9 | -173.9 | 175.6 | 176.1 | 167.9 | 0 | 109.9 | E31 V43 | K29-E31 VanDerWaalsContact C-N 3.26Å; K29-E31 PolarHBondContact O-N 3.48Å; K29-V43 WeakPolarHBondContact CE-O 3.38Å |
| 30 | N | 95.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 56 Ų | 56 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 0.5 | -172.7 | -58.2 | -68.2 | 0 | 0 | 0 | 116.6 | K41 I42 | N30-K41 WeakPolarHBondContact OD1-CE 3.47Å; N30-K41 PolarHBondContact OD1-NZ 3.38Å; N30-I42 WeakPolarHBondContact CA-O 3.49Å; N30-I42 PolarHBondContact N-O 2.99Å |
| 31 | E | 97.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 28% | 0.276 | 28% | 0.279 | S | S | . | . | trans | -79.7 | 169.8 | 167.4 | -65.2 | -173.6 | 155.7 | 0 | 0 | 111.6 | K22 L27 R28 K29 K41 I42 | K22-E31 IonicContact NZ-OE1 2.78Å; K22-E31 PolarHBondContact NZ-OE1 3.5Å; K22-E31 IonicContact NZ-OE2 2.7Å; K22-E31 PolarHBondContact NZ-OE2 3.07Å; L27-E31 WeakPolarHBondContact CA-OE2 3.15Å; R28-E31 HydrophobicContact CB-CG 4Å; R28-E31 PolarHBondContact N-OE2 2.86Å; R28-E31 WeakPolarHBondContact O-CB 3.49Å; R28-E31 PolarHBondContact O-N 2.98Å; R28-E31 VanDerWaalsContact O-N 3.12Å; K29-E31 VanDerWaalsContact C-N 3.26Å; K29-E31 PolarHBondContact O-N 3.48Å; E31-K41 CarbonylContact O-C 3.59Å; E31-K41 WeakPolarHBondContact O-CA 3.4Å; E31-I42 HydrophobicContact CB-CD1 4.42Å; E31-I42 PolarHBondContact O-N 3.15Å | ||
| 32 | H | 97.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.7 | 174.5 | -55.6 | 98 | 0 | 0 | 0 | 111.1 | C40 V83 P84 V86 | H32-C40 CarbonylContact C-O 3.52Å; H32-C40 WeakPolarHBondContact CA-O 3.41Å; H32-V83 WeakPolarHBondContact O-CG1 3.38Å; H32-P84 HydrophobicContact CB-CG 3.87Å; H32-V86 HydrophobicContact CB-CG2 4.29Å |
| 33 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.6 | 172.2 | 64.9 | 0 | 0 | 0 | 0 | 108.7 | L27 L35 C40 I42 M81 | L27-V33 HydrophobicContact CD1-CB 4.32Å; L27-V33 HydrophobicContact CD1-CG2 3.87Å; L27-V33 HydrophobicContact CD2-CB 4.38Å; V33-L35 HydrophobicContact CG1-CD1 4.32Å; V33-L35 HydrophobicContact CG1-CD2 3.82Å; V33-L35 HydrophobicContact CG1-CG 3.87Å; V33-L35 HydrophobicContact CG2-CD2 4.37Å; V33-L35 PolarHBondContact O-N 2.61Å; V33-C40 PolarHBondContact N-O 3.33Å; V33-C40 PolarHBondContact O-N 3.22Å; V33-I42 HydrophobicContact CB-CD1 4.13Å; V33-I42 HydrophobicContact CB-CG1 4.27Å; V33-I42 HydrophobicContact CG1-CD1 3.8Å; V33-I42 HydrophobicContact CG1-CG1 3.47Å; V33-I42 VanDerWaalsContact CG1-CG1 3.47Å; V33-M81 HydrophobicContact CG2-CB 3.86Å; V33-M81 HydrophobicContact CG2-CE 3.98Å; V33-M81 HydrophobicContact CG2-CG 4.44Å |
| 34 | L | 97 | Very high | 96.5 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.9 | 173.6 | -157.1 | 75.7 | 0 | 0 | 0 | 108.8 | T19 R38 D82 M146 | T19-L34 HydrophobicContact CG2-CD2 4.41Å; L34-R38 WeakPolarHBondContact CA-O 3.33Å; L34-D82 HydrophobicContact CB-CB 3.92Å; L34-D82 WeakPolarHBondContact CB-O 3.42Å; L34-D82 HydrophobicContact CD2-CB 4.15Å; L34-D82 PolarHBondContact N-O 2.76Å; L34-M146 HydrophobicContact CD1-CE 3.9Å; L34-M146 HydrophobicContact CD1-CG 4Å; L34-M146 HydrophobicContact CD1-SD 3.95Å; L34-M146 HydrophobicContact CD2-CE 4.26Å |
| 35 | L | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.7 | 174 | -58.4 | 180 | 0 | 0 | 0 | 108.6 | V33 G37 R38 C40 L60 D73 M81 | V33-L35 HydrophobicContact CG1-CD1 4.32Å; V33-L35 HydrophobicContact CG1-CD2 3.82Å; V33-L35 HydrophobicContact CG1-CG 3.87Å; V33-L35 HydrophobicContact CG2-CD2 4.37Å; V33-L35 PolarHBondContact O-N 2.61Å; L35-G37 PolarHBondContact O-N 2.94Å; L35-G37 VanDerWaalsContact O-N 3.16Å; L35-R38 PolarHBondContact N-O 3.45Å; L35-R38 PolarHBondContact O-N 3.27Å; L35-C40 HydrophobicContact CD1-CB 4.07Å; L35-C40 HydrophobicContact CG-CB 4.2Å; L35-L60 HydrophobicContact CD2-CB 4.4Å; L35-D73 HydrophobicContact CD2-CB 3.93Å; L35-M81 HydrophobicContact CD2-CE 4.25Å |
| 36 | K | 94.4 | Very high | 96.5 | Very high | 151 Ų | 151 | 54.6 Ų | 54.6 | 66% | 0.657 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.3 | -177.8 | -55.5 | -175 | -174.9 | 171.6 | 0 | 112.8 | R38 Y71 E72 | K36-R38 VanDerWaalsContact C-N 3.29Å; K36-R38 PolarHBondContact O-N 3.37Å; K36-Y71 HydrophobicContact CB-CD1 4.29Å; K36-Y71 HydrophobicContact CD-CD1 4.17Å; K36-E72 WeakPolarHBondContact CE-O 3.36Å |
| 37 | G | 93.4 | Very high | 96.3 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L35 | L35-G37 PolarHBondContact O-N 2.94Å; L35-G37 VanDerWaalsContact O-N 3.16Å |
| 38 | R | 96.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 25% | 0.245 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 138.1 | 178.8 | -64.1 | -64.8 | -62.5 | 170.7 | 3.5 | 111.5 | L34 L35 K36 C40 D64 Y71 E148 | L34-R38 WeakPolarHBondContact CA-O 3.33Å; L35-R38 PolarHBondContact N-O 3.45Å; L35-R38 PolarHBondContact O-N 3.27Å; K36-R38 VanDerWaalsContact C-N 3.29Å; K36-R38 PolarHBondContact O-N 3.37Å; R38-C40 PolarHBondContact O-N 2.94Å; R38-C40 PolarHBondContact O-SG 2.98Å; R38-D64 IonicContact CZ-OD2 3Å; R38-D64 VanDerWaalsContact CZ-OD2 3.29Å; R38-D64 IonicContact NE-OD2 3.27Å; R38-D64 PolarHBondContact NE-OD2 3.28Å; R38-D64 IonicContact NH2-OD1 3.39Å; R38-D64 PolarHBondContact NH2-OD1 2.97Å; R38-D64 IonicContact NH2-OD2 3.68Å; R38-D64 PolarHBondContact NH2-OD2 3.17Å; R38-Y71 HydrophobicContact CB-CE2 4.16Å; R38-Y71 HydrophobicContact CG-CE1 4.43Å; R38-Y71 HydrophobicContact CG-CE2 4.17Å; R38-E148 IonicContact CZ-OE2 2.61Å; R38-E148 IonicContact NH1-OE2 2.76Å; R38-E148 PolarHBondContact NH1-OE2 3.15Å; R38-E148 IonicContact NH2-OE1 3.03Å; R38-E148 IonicContact NH2-OE2 3.39Å; R38-E148 PolarHBondContact NH2-OE2 3.36Å |
| 39 | P | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 116.3 | 176.6 | 28.3 | -31.4 | 0 | 0 | 0 | 109.9 | D64 I65 F66 P84 M146 | P39-D64 WeakPolarHBondContact O-CA 3.34Å; P39-I65 HydrophobicContact CB-CD1 4.06Å; P39-I65 HydrophobicContact CB-CG1 4.26Å; P39-I65 HydrophobicContact CG-CD1 4.26Å; P39-I65 HydrophobicContact CG-CG1 4.15Å; P39-I65 PolarHBondContact O-N 3.45Å; P39-I65 VanDerWaalsContact O-N 3.09Å; P39-F66 HydrophobicContact CG-CD2 3.84Å; P39-F66 HydrophobicContact CG-CE2 3.58Å; P39-P84 HydrophobicContact CB-CB 4.03Å; P39-P84 HydrophobicContact CB-CG 3.87Å; P39-M146 HydrophobicContact CB-CG 4.12Å; P39-M146 HydrophobicContact CG-CB 4.42Å; P39-M146 HydrophobicContact CG-CG 4.11Å |
| 40 | C | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.6 | -176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | H32 V33 L35 R38 I63 | H32-C40 CarbonylContact C-O 3.52Å; H32-C40 WeakPolarHBondContact CA-O 3.41Å; V33-C40 PolarHBondContact N-O 3.33Å; V33-C40 PolarHBondContact O-N 3.22Å; L35-C40 HydrophobicContact CD1-CB 4.07Å; L35-C40 HydrophobicContact CG-CB 4.2Å; R38-C40 PolarHBondContact O-N 2.94Å; R38-C40 PolarHBondContact O-SG 2.98Å; C40-I63 CarbonylContact C-O 3.48Å; C40-I63 VanDerWaalsContact CA-O 3.22Å; C40-I63 WeakPolarHBondContact CA-O 3.43Å |
| 41 | K | 97.8 | Very high | 94 | Very high | 85 Ų | 85 | 57 Ų | 57 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.5 | 164.9 | -178.5 | 179.4 | 177.4 | -175.8 | 0 | 109.5 | N30 E31 V43 G62 I63 I65 | N30-K41 WeakPolarHBondContact OD1-CE 3.47Å; N30-K41 PolarHBondContact OD1-NZ 3.38Å; E31-K41 CarbonylContact O-C 3.59Å; E31-K41 WeakPolarHBondContact O-CA 3.4Å; K41-V43 PolarHBondContact O-N 3.35Å; K41-G62 CarbonylContact O-C 3.6Å; K41-G62 WeakPolarHBondContact O-CA 3.44Å; K41-I63 PolarHBondContact N-O 3.4Å; K41-I63 PolarHBondContact O-N 3.46Å; K41-I65 HydrophobicContact CB-CG2 4.11Å |
| 42 | I | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 119.4 | 179.7 | -59.4 | 169.5 | 0 | 0 | 0 | 109.6 | L27 N30 E31 V33 E44 M45 L60 | L27-I42 HydrophobicContact CB-CD1 3.92Å; L27-I42 HydrophobicContact CD1-CD1 4.27Å; L27-I42 HydrophobicContact CD2-CD1 4.14Å; L27-I42 HydrophobicContact CG-CD1 4.34Å; N30-I42 WeakPolarHBondContact CA-O 3.49Å; N30-I42 PolarHBondContact N-O 2.99Å; E31-I42 HydrophobicContact CB-CD1 4.42Å; E31-I42 PolarHBondContact O-N 3.15Å; V33-I42 HydrophobicContact CB-CD1 4.13Å; V33-I42 HydrophobicContact CB-CG1 4.27Å; V33-I42 HydrophobicContact CG1-CD1 3.8Å; V33-I42 HydrophobicContact CG1-CG1 3.47Å; V33-I42 VanDerWaalsContact CG1-CG1 3.47Å; I42-E44 WeakPolarHBondContact CG2-O 3.43Å; I42-M45 HydrophobicContact CG2-CB 4.35Å; I42-L60 HydrophobicContact CD1-CD2 4.12Å; I42-L60 HydrophobicContact CG2-CD2 4.26Å |
| 43 | V | 97.9 | Very high | 92.6 | Very high | 48 Ų | 48 | 69 Ų | 69 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -26.9 | 176.8 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | K29 K41 V61 I63 | K29-V43 WeakPolarHBondContact CE-O 3.38Å; K41-V43 PolarHBondContact O-N 3.35Å; V43-V61 HydrophobicContact CG2-CB 4.28Å; V43-V61 HydrophobicContact CG2-CG1 3.85Å; V43-V61 WeakPolarHBondContact CG2-O 3.32Å; V43-V61 PolarHBondContact N-O 3.27Å; V43-I63 HydrophobicContact CG1-CB 4.38Å; V43-I63 HydrophobicContact CG1-CD1 3.72Å; V43-I63 HydrophobicContact CG1-CG1 3.8Å; V43-I63 HydrophobicContact CG2-CD1 4.38Å; V43-I63 HydrophobicContact CG2-CG1 4.07Å |
| 44 | E | 96.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 70.6 Ų | 70.6 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.7 | 176.6 | -162.8 | -171.9 | 140.6 | 0 | 0 | 110.2 | I42 V61 | I42-E44 WeakPolarHBondContact CG2-O 3.43Å; E44-V61 HydrophobicContact CB-CB 3.83Å; E44-V61 HydrophobicContact CB-CG2 4.06Å; E44-V61 PolarHBondContact N-O 3.26Å; E44-V61 PolarHBondContact O-N 2.54Å |
| 45 | M | 95.1 | Very high | 90.9 | Very high | 57 Ų | 57 | 75.4 Ų | 75.4 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 125.3 | 175.8 | -177.9 | -175.6 | -174.4 | 0 | 0 | 108 | C24 L27 I42 V58 H59 L60 | C24-M45 WeakPolarHBondContact O-CE 3.47Å; L27-M45 HydrophobicContact CB-CE 4.4Å; I42-M45 HydrophobicContact CG2-CB 4.35Å; M45-V58 HydrophobicContact CE-CB 4.5Å; M45-V58 HydrophobicContact CE-CG1 3.46Å; M45-V58 VanDerWaalsContact CE-CG1 3.46Å; M45-V58 HydrophobicContact CE-CG2 4.24Å; M45-V58 HydrophobicContact CG-CG1 3.6Å; M45-V58 HydrophobicContact SD-CG1 4.34Å; M45-H59 WeakPolarHBondContact CA-O 3.48Å; M45-L60 HydrophobicContact CB-CD2 4.18Å; M45-L60 HydrophobicContact CG-CD2 3.81Å; M45-L60 HydrophobicContact SD-CD2 4.33Å |
| 46 | S | 94.5 | Very high | 90.7 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.8 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | V58 H59 | S46-V58 CarbonylContact O-C 3.55Å; S46-V58 VanDerWaalsContact O-CA 3.29Å; S46-V58 WeakPolarHBondContact O-CA 3.16Å; S46-H59 PolarHBondContact N-O 3.29Å; S46-H59 PolarHBondContact O-N 3.23Å |
| 47 | T | 92.6 | Very high | 90.7 | Very high | 91 Ų | 91 | 73.5 Ų | 73.5 | 56% | 0.558 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.9 | -179.5 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | A56 K57 | T47-A56 HydrophobicContact CG2-CB 3.72Å; T47-K57 CarbonylContact C-O 3.58Å; T47-K57 WeakPolarHBondContact CA-O 3.35Å |
| 48 | S | 91.2 | Very high | 90.8 | Very high | 62 Ų | 62 | 71.3 Ų | 71.3 | 43% | 0.434 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.7 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 110 | A56 K57 | S48-A56 CarbonylContact O-C 3.54Å; S48-A56 WeakPolarHBondContact O-CA 3.49Å; S48-K57 PolarHBondContact N-O 3.5Å; S48-K57 PolarHBondContact O-N 3Å; S48-K57 PolarHBondContact OG-O 3.11Å |
| 49 | K | 83.3 | Confident | 90.8 | Very high | 180 Ų | 180 | 70.6 Ų | 70.6 | 78% | 0.783 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.3 | 171.2 | -69.6 | -173.5 | 179.9 | -178.8 | 0 | 108.9 | G51 | K49-G51 PolarHBondContact O-N 2.9Å |
| 50 | T | 80.6 | Confident | 90.8 | Very high | 62 Ų | 62 | 70.6 Ų | 70.6 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | trans | -88.7 | 84.1 | 174.4 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | G54 H55 K57 | T50-G54 WeakPolarHBondContact O-CA 3.21Å; T50-G54 PolarHBondContact O-N 2.71Å; T50-H55 PolarHBondContact OG1-O 2.85Å; T50-K57 HydrophobicContact CG2-CD 3.67Å; T50-K57 HydrophobicContact CG2-CG 4.08Å | ||
| 51 | G | 80.2 | Confident | 90.8 | Very high | 61 Ų | 61 | 70.8 Ų | 70.8 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -170.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | K49 H53 | K49-G51 PolarHBondContact O-N 2.9Å; G51-H53 PolarHBondContact O-N 2.79Å |
| 52 | K | 81.6 | Confident | 90.8 | Very high | 194 Ų | 194 | 66.7 Ų | 66.7 | 84% | 0.843 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -34.2 | -172.3 | -172.8 | 178.2 | 179.1 | -176.8 | 0 | 113.8 | ||
| 53 | H | 83 | Confident | 90.8 | Very high | 162 Ų | 162 | 70 Ų | 70 | 75% | 0.75 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -2.1 | -174.5 | -61 | -74.2 | 0 | 0 | 0 | 113.5 | G51 | G51-H53 PolarHBondContact O-N 2.79Š|
| 54 | G | 77.2 | Confident | 90.7 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 142.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T50 | T50-G54 WeakPolarHBondContact O-CA 3.21Å; T50-G54 PolarHBondContact O-N 2.71Å |
| 55 | H | 83.2 | Confident | 90.6 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 61% | 0.606 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 145.7 | 169.4 | -60.4 | -78.4 | 0 | 0 | 0 | 110.1 | T50 K57 | T50-H55 PolarHBondContact OG1-O 2.85Å; H55-K57 PolarHBondContact O-N 2.84Å |
| 56 | A | 92.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 63 Ų | 63 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 138.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T47 S48 S77 | T47-A56 HydrophobicContact CG2-CB 3.72Å; S48-A56 CarbonylContact O-C 3.54Å; S48-A56 WeakPolarHBondContact O-CA 3.49Å; A56-S77 WeakPolarHBondContact O-CB 3.36Å; A56-S77 PolarHBondContact O-N 3.26Å; A56-S77 PolarHBondContact O-OG 3.26Å |
| 57 | K | 93.5 | Very high | 90.5 | Very high | 90 Ų | 90 | 64.3 Ų | 64.3 | 39% | 0.391 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.7 | 172.7 | -64.7 | -173.8 | -179.5 | -177.5 | 0 | 108.7 | T47 S48 T50 H55 I74 | T47-K57 CarbonylContact C-O 3.58Å; T47-K57 WeakPolarHBondContact CA-O 3.35Å; S48-K57 PolarHBondContact N-O 3.5Å; S48-K57 PolarHBondContact O-N 3Å; S48-K57 PolarHBondContact OG-O 3.11Å; T50-K57 HydrophobicContact CG2-CD 3.67Å; T50-K57 HydrophobicContact CG2-CG 4.08Å; H55-K57 PolarHBondContact O-N 2.84Å; K57-I74 HydrophobicContact CB-CG2 4.02Å; K57-I74 HydrophobicContact CD-CG2 4.25Å |
| 58 | V | 95.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.3 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | C24 M45 S46 L60 I74 C75 | C24-V58 VanDerWaalsContact SG-CB 3.55Å; M45-V58 HydrophobicContact CE-CB 4.5Å; M45-V58 HydrophobicContact CE-CG1 3.46Å; M45-V58 VanDerWaalsContact CE-CG1 3.46Å; M45-V58 HydrophobicContact CE-CG2 4.24Å; M45-V58 HydrophobicContact CG-CG1 3.6Å; M45-V58 HydrophobicContact SD-CG1 4.34Å; S46-V58 CarbonylContact O-C 3.55Å; S46-V58 VanDerWaalsContact O-CA 3.29Å; S46-V58 WeakPolarHBondContact O-CA 3.16Å; V58-L60 HydrophobicContact CG1-CD2 3.96Å; V58-L60 HydrophobicContact CG1-CG 3.99Å; V58-I74 CarbonylContact O-C 3.5Å; V58-I74 WeakPolarHBondContact O-CA 3.27Å; V58-C75 PolarHBondContact N-O 2.99Å; V58-C75 PolarHBondContact O-N 2.82Å |
| 59 | H | 96.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.5 | 166.6 | 177.3 | -133.1 | 0 | 0 | 0 | 108.3 | M45 S46 I74 | M45-H59 WeakPolarHBondContact CA-O 3.48Å; S46-H59 PolarHBondContact N-O 3.29Å; S46-H59 PolarHBondContact O-N 3.23Å; H59-I74 HydrophobicContact CB-CG1 4.21Å |
| 60 | L | 97.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.9 | 179.6 | -69 | 168.9 | 0 | 0 | 0 | 109.1 | L27 L35 I42 M45 V58 E72 D73 M81 | L27-L60 HydrophobicContact CD1-CD1 3.74Å; L27-L60 HydrophobicContact CD1-CD2 4.42Å; L35-L60 HydrophobicContact CD2-CB 4.4Å; I42-L60 HydrophobicContact CD1-CD2 4.12Å; I42-L60 HydrophobicContact CG2-CD2 4.26Å; M45-L60 HydrophobicContact CB-CD2 4.18Å; M45-L60 HydrophobicContact CG-CD2 3.81Å; M45-L60 HydrophobicContact SD-CD2 4.33Å; V58-L60 HydrophobicContact CG1-CD2 3.96Å; V58-L60 HydrophobicContact CG1-CG 3.99Å; L60-E72 CarbonylContact O-C 3.59Å; L60-E72 WeakPolarHBondContact O-CA 3.5Å; L60-D73 PolarHBondContact N-O 3.09Å; L60-D73 PolarHBondContact O-N 2.95Å; L60-M81 HydrophobicContact CD1-CE 4.23Å |
| 61 | V | 98 | Very high | 92.2 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.3 | 170 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | V43 E44 K70 E72 | V43-V61 HydrophobicContact CG2-CB 4.28Å; V43-V61 HydrophobicContact CG2-CG1 3.85Å; V43-V61 WeakPolarHBondContact CG2-O 3.32Å; V43-V61 PolarHBondContact N-O 3.27Å; E44-V61 HydrophobicContact CB-CB 3.83Å; E44-V61 HydrophobicContact CB-CG2 4.06Å; E44-V61 PolarHBondContact N-O 3.26Å; E44-V61 PolarHBondContact O-N 2.54Å; V61-K70 HydrophobicContact CG1-CD 4.15Å; V61-K70 HydrophobicContact CG1-CG 3.98Å; V61-E72 HydrophobicContact CG2-CB 4.45Å |
| 62 | G | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K41 K70 Y71 | K41-G62 CarbonylContact O-C 3.6Å; K41-G62 WeakPolarHBondContact O-CA 3.44Å; G62-K70 WeakPolarHBondContact O-CA 3.33Å; G62-Y71 PolarHBondContact N-O 3.11Å; G62-Y71 PolarHBondContact O-N 2.97Å; G62-Y71 VanDerWaalsContact O-O 3.08Å |
| 63 | I | 97.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 35% | 0.354 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127 | 170.3 | -62.7 | -178.6 | 0 | 0 | 0 | 107.3 | C40 K41 V43 I65 G68 | C40-I63 CarbonylContact C-O 3.48Å; C40-I63 VanDerWaalsContact CA-O 3.22Å; C40-I63 WeakPolarHBondContact CA-O 3.43Å; K41-I63 PolarHBondContact N-O 3.4Å; K41-I63 PolarHBondContact O-N 3.46Å; V43-I63 HydrophobicContact CG1-CB 4.38Å; V43-I63 HydrophobicContact CG1-CD1 3.72Å; V43-I63 HydrophobicContact CG1-CG1 3.8Å; V43-I63 HydrophobicContact CG2-CD1 4.38Å; V43-I63 HydrophobicContact CG2-CG1 4.07Å; I63-I65 PolarHBondContact O-N 3.32Å; I63-G68 WeakPolarHBondContact CG2-O 3.26Å |
| 64 | D | 96.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 126.3 | 173.4 | -177.2 | -47.5 | 0 | 0 | 0 | 110.3 | R38 P39 F66 T67 G68 K69 Y71 | R38-D64 IonicContact CZ-OD2 3Å; R38-D64 VanDerWaalsContact CZ-OD2 3.29Å; R38-D64 IonicContact NE-OD2 3.27Å; R38-D64 PolarHBondContact NE-OD2 3.28Å; R38-D64 IonicContact NH2-OD1 3.39Å; R38-D64 PolarHBondContact NH2-OD1 2.97Å; R38-D64 IonicContact NH2-OD2 3.68Å; R38-D64 PolarHBondContact NH2-OD2 3.17Å; P39-D64 WeakPolarHBondContact O-CA 3.34Å; D64-F66 PolarHBondContact O-N 2.93Å; D64-F66 WeakPolarHBondContact OD1-CA 3.26Å; D64-F66 WeakPolarHBondContact OD1-CB 3.43Å; D64-F66 PolarHBondContact OD1-N 3.22Å; D64-T67 VanDerWaalsContact CB-OG1 3.31Å; D64-T67 WeakPolarHBondContact CB-OG1 3.5Å; D64-T67 PolarHBondContact OD1-N 2.9Å; D64-T67 PolarHBondContact OD1-OG1 2.78Å; D64-T67 PolarHBondContact OD2-OG1 3.35Å; D64-T67 VanDerWaalsContact OD2-OG1 3.12Å; D64-G68 WeakPolarHBondContact O-CA 3.38Å; D64-G68 PolarHBondContact O-N 3.47Å; D64-K69 WeakPolarHBondContact CB-O 3.33Å; D64-K69 PolarHBondContact N-O 3.1Å; D64-Y71 HydrophobicContact CB-CD2 4.05Å; D64-Y71 HydrophobicContact CB-CE2 3.77Å |
| 65 | I | 95.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.6 | -172.7 | 63.8 | 177.2 | 0 | 0 | 0 | 113.2 | P39 K41 I63 V86 V143 L152 | P39-I65 HydrophobicContact CB-CD1 4.06Å; P39-I65 HydrophobicContact CB-CG1 4.26Å; P39-I65 HydrophobicContact CG-CD1 4.26Å; P39-I65 HydrophobicContact CG-CG1 4.15Å; P39-I65 PolarHBondContact O-N 3.45Å; P39-I65 VanDerWaalsContact O-N 3.09Å; K41-I65 HydrophobicContact CB-CG2 4.11Å; I63-I65 PolarHBondContact O-N 3.32Å; I65-V86 HydrophobicContact CD1-CG1 4.46Å; I65-V86 HydrophobicContact CD1-CG2 4.35Å; I65-V143 HydrophobicContact CD1-CG1 4.32Å; I65-L152 VanDerWaalsContact O-CD1 3.32Å; I65-L152 WeakPolarHBondContact O-CD1 3.38Å; I65-L152 WeakPolarHBondContact O-CD2 3.29Å |
| 66 | F | 93.9 | Very high | 95.6 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -45.4 | -178 | -57.6 | -50.7 | 0 | 0 | 0 | 111.9 | P39 D64 V143 E148 C150 L152 | P39-F66 HydrophobicContact CG-CD2 3.84Å; P39-F66 HydrophobicContact CG-CE2 3.58Å; D64-F66 PolarHBondContact O-N 2.93Å; D64-F66 WeakPolarHBondContact OD1-CA 3.26Å; D64-F66 WeakPolarHBondContact OD1-CB 3.43Å; D64-F66 PolarHBondContact OD1-N 3.22Å; F66-V143 HydrophobicContact CE1-CG1 4.34Å; F66-E148 VanDerWaalsContact CB-OE1 3.27Å; F66-E148 WeakPolarHBondContact CB-OE1 3.33Å; F66-E148 HydrophobicContact CD2-CB 4.05Å; F66-E148 HydrophobicContact CD2-CG 3.8Å; F66-E148 WeakPolarHBondContact CD2-OE2 3.44Å; F66-E148 HydrophobicContact CE2-CB 3.64Å; F66-E148 HydrophobicContact CE2-CG 3.86Å; F66-E148 HydrophobicContact CG-CG 4.15Å; F66-E148 WeakPolarHBondContact CG-OE1 3.39Å; F66-E148 HydrophobicContact CZ-CB 4.05Å; F66-E148 HydrophobicContact CZ-CG 4.24Å; F66-E148 WeakPolarHBondContact CZ-O 3.43Å; F66-C150 WeakPolarHBondContact CD1-SG 3.29Å; F66-C150 VanDerWaalsContact CE1-SG 3.54Å; F66-L152 HydrophobicContact CD1-CD1 4.35Å; F66-L152 HydrophobicContact CE1-CD1 4.46Å |
| 67 | T | 92.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -12.4 | -173.7 | 65.2 | 0 | 0 | 0 | 0 | 114.1 | D64 K69 | D64-T67 VanDerWaalsContact CB-OG1 3.31Å; D64-T67 WeakPolarHBondContact CB-OG1 3.5Å; D64-T67 PolarHBondContact OD1-N 2.9Å; D64-T67 PolarHBondContact OD1-OG1 2.78Å; D64-T67 PolarHBondContact OD2-OG1 3.35Å; D64-T67 VanDerWaalsContact OD2-OG1 3.12Å; T67-K69 PolarHBondContact O-N 3.35Å; T67-K69 VanDerWaalsContact O-N 3.09Å; T67-K69 WeakPolarHBondContact OG1-CB 3.47Å; T67-K69 PolarHBondContact OG1-N 3.39Å |
| 68 | G | 93 | Very high | 95.6 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | trans | 67.9 | 2.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I63 D64 | I63-G68 WeakPolarHBondContact CG2-O 3.26Å; D64-G68 WeakPolarHBondContact O-CA 3.38Å; D64-G68 PolarHBondContact O-N 3.47Å | ||
| 69 | K | 96 | Very high | 95.6 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | trans | -72.3 | 136.9 | 179.8 | -176.7 | 170.3 | 170.2 | -172.2 | 0 | 110.8 | D64 T67 Y71 | D64-K69 WeakPolarHBondContact CB-O 3.33Å; D64-K69 PolarHBondContact N-O 3.1Å; T67-K69 PolarHBondContact O-N 3.35Å; T67-K69 VanDerWaalsContact O-N 3.09Å; T67-K69 WeakPolarHBondContact OG1-CB 3.47Å; T67-K69 PolarHBondContact OG1-N 3.39Å; K69-Y71 HydrophobicContact CB-CE2 3.86Å; K69-Y71 HydrophobicContact CD-CE2 4.17Å; K69-Y71 WeakPolarHBondContact CD-OH 3.38Å; K69-Y71 HydrophobicContact CG-CE2 3.88Å; K69-Y71 VanDerWaalsContact O-CD2 3.3Å; K69-Y71 WeakPolarHBondContact O-CD2 3.42Å | ||
| 70 | K | 97.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 56% | 0.557 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.4 | 176.7 | -170.4 | -175.7 | -179 | -171.6 | 0 | 110.9 | V61 G62 | V61-K70 HydrophobicContact CG1-CD 4.15Å; V61-K70 HydrophobicContact CG1-CG 3.98Å; G62-K70 WeakPolarHBondContact O-CA 3.33Å |
| 71 | Y | 98 | Very high | 95.5 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 14% | 0.137 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.9 | 172.3 | -67.5 | -86.9 | 0 | 0 | 0 | 110 | K36 R38 G62 D64 K69 | K36-Y71 HydrophobicContact CB-CD1 4.29Å; K36-Y71 HydrophobicContact CD-CD1 4.17Å; R38-Y71 HydrophobicContact CB-CE2 4.16Å; R38-Y71 HydrophobicContact CG-CE1 4.43Å; R38-Y71 HydrophobicContact CG-CE2 4.17Å; G62-Y71 PolarHBondContact N-O 3.11Å; G62-Y71 PolarHBondContact O-N 2.97Å; G62-Y71 VanDerWaalsContact O-O 3.08Å; D64-Y71 HydrophobicContact CB-CD2 4.05Å; D64-Y71 HydrophobicContact CB-CE2 3.77Å; K69-Y71 HydrophobicContact CB-CE2 3.86Å; K69-Y71 HydrophobicContact CD-CE2 4.17Å; K69-Y71 WeakPolarHBondContact CD-OH 3.38Å; K69-Y71 HydrophobicContact CG-CE2 3.88Å; K69-Y71 VanDerWaalsContact O-CD2 3.3Å; K69-Y71 WeakPolarHBondContact O-CD2 3.42Å |
| 72 | E | 97 | Very high | 95.4 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.3 | 178.6 | 64.3 | -172.3 | -156.5 | 0 | 0 | 110.5 | K36 L60 V61 | K36-E72 WeakPolarHBondContact CE-O 3.36Å; L60-E72 CarbonylContact O-C 3.59Å; L60-E72 WeakPolarHBondContact O-CA 3.5Å; V61-E72 HydrophobicContact CG2-CB 4.45Å |
| 73 | D | 95.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.5 | 176.8 | -161.4 | 8.6 | 0 | 0 | 0 | 111.6 | L35 L60 | L35-D73 HydrophobicContact CD2-CB 3.93Å; L60-D73 PolarHBondContact N-O 3.09Å; L60-D73 PolarHBondContact O-N 2.95Å |
| 74 | I | 94.7 | Very high | 95.3 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.3 | 175.4 | -60 | 174.5 | 0 | 0 | 0 | 108.9 | K57 V58 H59 | K57-I74 HydrophobicContact CB-CG2 4.02Å; K57-I74 HydrophobicContact CD-CG2 4.25Å; V58-I74 CarbonylContact O-C 3.5Å; V58-I74 WeakPolarHBondContact O-CA 3.27Å; H59-I74 HydrophobicContact CB-CG1 4.21Å |
| 75 | C | 93.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139 | -178.2 | -173 | 0 | 0 | 0 | 0 | 111.3 | V58 S77 H79 M81 | V58-C75 PolarHBondContact N-O 2.99Å; V58-C75 PolarHBondContact O-N 2.82Å; C75-S77 PolarHBondContact O-N 3.03Å; C75-H79 VanDerWaalsContact SG-CB 3.56Å; C75-M81 HydrophobicContact CB-SD 3.61Å; C75-M81 PolarHBondContact SG-SD 2.82Å |
| 76 | P | 94.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 137.3 | 168 | -28.8 | 38.3 | 0 | 0 | 0 | 111.9 | T78 H79 | P76-T78 PolarHBondContact O-N 2.92Å; P76-H79 VanDerWaalsContact CD-ND1 3.34Å; P76-H79 WeakPolarHBondContact CD-ND1 3.38Å; P76-H79 VanDerWaalsContact CG-ND1 3.29Å; P76-H79 WeakPolarHBondContact CG-ND1 3.46Å; P76-H79 PolarHBondContact O-N 3.23Å |
| 77 | S | 93.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 64.5 Ų | 64.5 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.6 | -175 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | Q23 S25 A56 C75 | Q23-S77 WeakPolarHBondContact CG-O 3.39Å; Q23-S77 PolarHBondContact NE2-O 3Å; Q23-S77 VanDerWaalsContact NE2-O 3.07Å; S25-S77 VanDerWaalsContact CB-O 3.29Å; S25-S77 WeakPolarHBondContact CB-O 3.19Å; S25-S77 PolarHBondContact N-O 2.83Å; S25-S77 VanDerWaalsContact N-O 3.17Å; S25-S77 PolarHBondContact OG-O 2.81Å; A56-S77 WeakPolarHBondContact O-CB 3.36Å; A56-S77 PolarHBondContact O-N 3.26Å; A56-S77 PolarHBondContact O-OG 3.26Å; C75-S77 PolarHBondContact O-N 3.03Å |
| 78 | T | 93.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 67.1 Ų | 67.1 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -13.3 | -179.8 | 51.3 | 0 | 0 | 0 | 0 | 113.9 | P76 | P76-T78 PolarHBondContact O-N 2.92Š|
| 79 | H | 93.7 | Very high | 95.6 | Very high | 106 Ų | 106 | 67.6 Ų | 67.6 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -78.9 | 152.1 | 177.2 | -71.3 | 160.7 | 0 | 0 | 0 | 111.2 | C24 C75 P76 | C24-H79 WeakPolarHBondContact CB-O 3.46Å; C24-H79 PolarHBondContact N-O 2.9Å; C75-H79 VanDerWaalsContact SG-CB 3.56Å; P76-H79 VanDerWaalsContact CD-ND1 3.34Å; P76-H79 WeakPolarHBondContact CD-ND1 3.38Å; P76-H79 VanDerWaalsContact CG-ND1 3.29Å; P76-H79 WeakPolarHBondContact CG-ND1 3.46Å; P76-H79 PolarHBondContact O-N 3.23Å |
| 80 | N | 95 | Very high | 95.6 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.7 | 169.8 | -70.3 | -27.2 | 0 | 0 | 0 | 109.9 | P21 K22 | P21-N80 HydrophobicContact CB-CB 4.09Å; K22-N80 WeakPolarHBondContact O-CA 3.4Å |
| 81 | M | 96.1 | Very high | 95.6 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 146.1 | 167.2 | -64.8 | -64.2 | -69 | 0 | 0 | 108.5 | K22 C24 L27 V33 L35 L60 C75 | K22-M81 PolarHBondContact N-O 2.97Å; K22-M81 PolarHBondContact O-N 2.88Å; C24-M81 HydrophobicContact CB-CG 3.95Å; L27-M81 HydrophobicContact CD1-CB 4.04Å; L27-M81 HydrophobicContact CD1-CG 3.96Å; V33-M81 HydrophobicContact CG2-CB 3.86Å; V33-M81 HydrophobicContact CG2-CE 3.98Å; V33-M81 HydrophobicContact CG2-CG 4.44Å; L35-M81 HydrophobicContact CD2-CE 4.25Å; L60-M81 HydrophobicContact CD1-CE 4.23Å; C75-M81 HydrophobicContact CB-SD 3.61Å; C75-M81 PolarHBondContact SG-SD 2.82Å |
| 82 | D | 96.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 59.7 Ų | 59.7 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.2 | 170.8 | -71 | -56.7 | 0 | 0 | 0 | 110.2 | T19 L34 | T19-D82 HydrophobicContact CG2-CB 4.21Å; T19-D82 PolarHBondContact OG1-OD1 2.96Å; L34-D82 HydrophobicContact CB-CB 3.92Å; L34-D82 WeakPolarHBondContact CB-O 3.42Å; L34-D82 HydrophobicContact CD2-CB 4.15Å; L34-D82 PolarHBondContact N-O 2.76Å |
| 83 | V | 97.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | T19 F20 K22 L27 H32 | T19-V83 CarbonylContact C-O 3.55Å; T19-V83 WeakPolarHBondContact CA-O 3.39Å; T19-V83 WeakPolarHBondContact CB-O 3.16Å; F20-V83 HydrophobicContact CD1-CB 4.33Å; F20-V83 HydrophobicContact CD1-CG1 4.46Å; F20-V83 WeakPolarHBondContact CD1-O 3.37Å; F20-V83 HydrophobicContact CD2-CB 4.13Å; F20-V83 HydrophobicContact CE1-CB 3.95Å; F20-V83 HydrophobicContact CE1-CG1 3.63Å; F20-V83 HydrophobicContact CE2-CB 3.74Å; F20-V83 HydrophobicContact CE2-CG1 3.85Å; F20-V83 HydrophobicContact CE2-CG2 4.26Å; F20-V83 HydrophobicContact CG-CB 4.42Å; F20-V83 HydrophobicContact CZ-CB 3.65Å; F20-V83 HydrophobicContact CZ-CG1 3.28Å; F20-V83 PolarHBondContact N-O 3.23Å; F20-V83 PolarHBondContact O-N 2.59Å; K22-V83 HydrophobicContact CB-CG2 3.56Å; K22-V83 HydrophobicContact CD-CG2 4.19Å; K22-V83 HydrophobicContact CG-CG2 4.49Å; L27-V83 HydrophobicContact CD2-CG2 3.96Å; H32-V83 WeakPolarHBondContact O-CG1 3.38Å |
| 84 | P | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 142.2 | 179.6 | 31.5 | -36.1 | 0 | 0 | 0 | 110.3 | H32 P39 V86 S145 M146 | H32-P84 HydrophobicContact CB-CG 3.87Å; P39-P84 HydrophobicContact CB-CB 4.03Å; P39-P84 HydrophobicContact CB-CG 3.87Å; P84-V86 HydrophobicContact CG-CG2 4.28Å; P84-V86 PolarHBondContact O-N 2.86Å; P84-S145 WeakPolarHBondContact CB-OG 3.37Å; P84-M146 HydrophobicContact CB-CG 4.04Å; P84-M146 HydrophobicContact CB-SD 4.13Å |
| 85 | V | 96 | Very high | 95.3 | Very high | 52 Ų | 52 | 53 Ų | 53 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | trans | -72.3 | 120.2 | 165.9 | -180 | 0 | 0 | 0 | 0 | 107.2 | L18 F20 K87 S145 | L18-V85 PolarHBondContact O-N 3.09Å; F20-V85 HydrophobicContact CD1-CG2 4.01Å; F20-V85 HydrophobicContact CE1-CG2 4.41Å; V85-K87 HydrophobicContact CG1-CG 4.29Å; V85-S145 WeakPolarHBondContact O-CB 3.14Å; V85-S145 PolarHBondContact O-OG 3.48Å | ||
| 86 | V | 95.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 107.1 | 179.2 | -178 | 0 | 0 | 0 | 0 | 107.7 | H32 I65 P84 R88 V143 | H32-V86 HydrophobicContact CB-CG2 4.29Å; I65-V86 HydrophobicContact CD1-CG1 4.46Å; I65-V86 HydrophobicContact CD1-CG2 4.35Å; P84-V86 HydrophobicContact CG-CG2 4.28Å; P84-V86 PolarHBondContact O-N 2.86Å; V86-R88 HydrophobicContact CG1-CG 4.28Å; V86-V143 HydrophobicContact CG1-CG1 3.54Å |
| 87 | K | 94.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.4 | 173.4 | -60.5 | -177.6 | -173.3 | 171.5 | 0 | 108.3 | V85 V143 L144 | V85-K87 HydrophobicContact CG1-CG 4.29Å; K87-V143 WeakPolarHBondContact O-CA 3.2Å; K87-L144 HydrophobicContact CB-CB 4.35Å; K87-L144 HydrophobicContact CD-CD2 4.01Å; K87-L144 PolarHBondContact N-O 2.8Å; K87-L144 PolarHBondContact O-N 3.27Å |
| 88 | R | 95.5 | Very high | 95 | Very high | 134 Ų | 134 | 63.3 Ų | 63.3 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.3 | 174.6 | -56.4 | -170.8 | 173.6 | -123.5 | -4.4 | 107.9 | V86 T141 V142 V143 | V86-R88 HydrophobicContact CG1-CG 4.28Å; R88-T141 HydrophobicContact CB-CG2 4.23Å; R88-V142 WeakPolarHBondContact CA-O 3.47Å; R88-V143 HydrophobicContact CG-CG1 4.33Å; R88-V143 HydrophobicContact CG-CG2 3.88Å |
| 89 | K | 95.8 | Very high | 94.9 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 27% | 0.27 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 138.5 | 174.7 | -176.4 | 163.8 | -173.5 | 169.1 | 0 | 109.5 | Y91 D106 D108 V142 | K89-Y91 HydrophobicContact CB-CD2 4.44Å; K89-Y91 HydrophobicContact CB-CE2 3.68Å; K89-Y91 HydrophobicContact CD-CE1 4.32Å; K89-Y91 HydrophobicContact CD-CE2 4.21Å; K89-Y91 HydrophobicContact CG-CD2 4.28Å; K89-Y91 HydrophobicContact CG-CE2 3.71Å; K89-Y91 WeakPolarHBondContact O-CD2 3.17Å; K89-D106 VanDerWaalsContact CE-CG 3.45Å; K89-D106 WeakPolarHBondContact CE-OD1 3.27Å; K89-D106 WeakPolarHBondContact CE-OD2 3.46Å; K89-D106 IonicContact NZ-OD1 2.72Å; K89-D106 PolarHBondContact NZ-OD1 3.12Å; K89-D106 IonicContact NZ-OD2 2.84Å; K89-D106 PolarHBondContact NZ-OD2 3.09Å; K89-D108 IonicContact NZ-OD2 2.81Å; K89-D108 PolarHBondContact NZ-OD2 2.84Å; K89-V142 PolarHBondContact N-O 3.17Å; K89-V142 PolarHBondContact O-N 2.62Å |
| 90 | D | 96.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.2 | 175.4 | -65.8 | -28.3 | 0 | 0 | 0 | 109 | L139 V140 T141 K155 | D90-L139 HydrophobicContact CB-CB 4.47Å; D90-V140 WeakPolarHBondContact CA-O 3.34Å; D90-T141 WeakPolarHBondContact OD1-CA 3.34Å; D90-T141 VanDerWaalsContact OD1-CB 3.26Å; D90-T141 WeakPolarHBondContact OD1-CB 3.29Å; D90-T141 WeakPolarHBondContact OD1-CG2 3.35Å; D90-T141 PolarHBondContact OD1-OG1 3.21Å; D90-K155 VanDerWaalsContact OD2-CE 3.27Å; D90-K155 WeakPolarHBondContact OD2-CE 3.4Å; D90-K155 IonicContact OD2-NZ 3.86Å; D90-K155 PolarHBondContact OD2-NZ 3.24Å |
| 91 | Y | 96.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 58 Ų | 58 | 9% | 0.09 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.3 | 176.9 | -62.1 | -99.2 | 0 | 0 | 0 | 109 | K89 L93 I104 L105 D106 K113 L139 V140 V142 | K89-Y91 HydrophobicContact CB-CD2 4.44Å; K89-Y91 HydrophobicContact CB-CE2 3.68Å; K89-Y91 HydrophobicContact CD-CE1 4.32Å; K89-Y91 HydrophobicContact CD-CE2 4.21Å; K89-Y91 HydrophobicContact CG-CD2 4.28Å; K89-Y91 HydrophobicContact CG-CE2 3.71Å; K89-Y91 WeakPolarHBondContact O-CD2 3.17Å; Y91-L93 PolarHBondContact O-N 2.84Å; Y91-I104 HydrophobicContact CD1-CD1 4.15Å; Y91-I104 HydrophobicContact CD1-CG1 4.24Å; Y91-I104 HydrophobicContact CD2-CD1 4.01Å; Y91-I104 HydrophobicContact CG-CB 4.44Å; Y91-I104 HydrophobicContact CG-CD1 3.78Å; Y91-I104 HydrophobicContact CG-CG1 4.16Å; Y91-L105 CarbonylContact C-O 3.49Å; Y91-L105 WeakPolarHBondContact CA-O 3.25Å; Y91-L105 WeakPolarHBondContact CB-O 3.21Å; Y91-D106 HydrophobicContact CD1-CB 3.9Å; Y91-D106 HydrophobicContact CE1-CB 3.83Å; Y91-K113 HydrophobicContact CE1-CD 4.08Å; Y91-L139 CarbonylContact O-C 3.56Å; Y91-L139 VanDerWaalsContact O-CA 3.26Å; Y91-L139 WeakPolarHBondContact O-CA 3.33Å; Y91-V140 PolarHBondContact N-O 2.8Å; Y91-V140 WeakPolarHBondContact O-CG2 3.22Å; Y91-V140 PolarHBondContact O-N 2.72Å; Y91-V142 HydrophobicContact CD2-CB 3.88Å; Y91-V142 HydrophobicContact CD2-CG2 3.49Å; Y91-V142 VanDerWaalsContact CD2-CG2 3.49Å; Y91-V142 HydrophobicContact CE2-CB 3.69Å; Y91-V142 HydrophobicContact CE2-CG1 4.41Å; Y91-V142 HydrophobicContact CE2-CG2 3.74Å; Y91-V142 HydrophobicContact CG-CG2 4.46Å |
| 92 | Q | 95.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.9 | 170.7 | 177.3 | 176.8 | -1.3 | 0 | 0 | 109.6 | M94 I104 L105 M107 L139 M157 | Q92-M94 HydrophobicContact CG-SD 3.79Å; Q92-M94 PolarHBondContact O-N 3.02Å; Q92-I104 CarbonylContact O-C 3.49Å; Q92-I104 WeakPolarHBondContact O-CA 3.17Å; Q92-L105 HydrophobicContact CB-CB 4.34Å; Q92-L105 PolarHBondContact N-O 3.03Å; Q92-L105 PolarHBondContact O-N 2.86Å; Q92-M107 HydrophobicContact CB-CG 4.31Å; Q92-M107 HydrophobicContact CB-SD 3.87Å; Q92-M107 PolarHBondContact OE1-SD 3.4Å; Q92-L139 HydrophobicContact CB-CD2 4.06Å; Q92-M157 HydrophobicContact CB-CE 4.49Å; Q92-M157 HydrophobicContact CG-CE 3.76Å |
| 93 | L | 95.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.8 | 172.4 | -174.7 | 63.3 | 0 | 0 | 0 | 109.2 | Y91 I96 V102 I104 I127 F131 I138 V140 | Y91-L93 PolarHBondContact O-N 2.84Å; L93-I96 HydrophobicContact CD1-CG1 4.35Å; L93-I96 HydrophobicContact CD2-CD1 4.03Å; L93-I96 HydrophobicContact CD2-CG1 4.02Å; L93-I96 HydrophobicContact CG-CG1 4.47Å; L93-V102 HydrophobicContact CD1-CB 3.75Å; L93-V102 HydrophobicContact CD1-CG1 3.99Å; L93-V102 HydrophobicContact CD1-CG2 4.41Å; L93-I104 HydrophobicContact CD1-CG2 3.78Å; L93-I127 HydrophobicContact CD2-CG2 3.76Å; L93-F131 HydrophobicContact CB-CD2 4.33Å; L93-F131 HydrophobicContact CD2-CB 4.03Å; L93-F131 HydrophobicContact CD2-CD2 3.74Å; L93-F131 HydrophobicContact CD2-CE2 4.39Å; L93-F131 HydrophobicContact CD2-CG 3.89Å; L93-F131 HydrophobicContact CG-CD2 3.94Å; L93-F131 HydrophobicContact CG-CE2 4.12Å; L93-F131 HydrophobicContact CG-CG 4.49Å; L93-F131 WeakPolarHBondContact O-CE2 3.17Å; L93-I138 HydrophobicContact CB-CD1 4.47Å; L93-I138 HydrophobicContact CB-CG1 3.87Å; L93-I138 HydrophobicContact CD2-CD1 3.73Å; L93-I138 HydrophobicContact CD2-CG1 3.99Å; L93-I138 PolarHBondContact N-O 3.23Å; L93-V140 HydrophobicContact CB-CG1 4.13Å; L93-V140 HydrophobicContact CB-CG2 4.44Å; L93-V140 HydrophobicContact CD2-CG1 4.23Å |
| 94 | M | 94.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 54 Ų | 54 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -41 | -176.5 | -60.6 | -61.8 | -68.1 | 0 | 0 | 112.1 | Q92 S103 L105 F131 | Q92-M94 HydrophobicContact CG-SD 3.79Å; Q92-M94 PolarHBondContact O-N 3.02Å; M94-S103 WeakPolarHBondContact CA-O 3.4Å; M94-S103 WeakPolarHBondContact CB-O 3.46Å; M94-S103 PolarHBondContact N-O 3.44Å; M94-L105 HydrophobicContact CG-CB 3.83Å; M94-L105 HydrophobicContact SD-CB 4.11Å; M94-L105 HydrophobicContact SD-CD2 4.3Å; M94-F131 WeakPolarHBondContact O-CZ 3.33Å |
| 95 | A | 93.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 155.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V102 S103 | A95-V102 WeakPolarHBondContact O-CA 3.26Å; A95-S103 PolarHBondContact N-O 2.88Å; A95-S103 PolarHBondContact O-N 2.64Å |
| 96 | I | 94.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.6 | 169.7 | -56.4 | 165.5 | 0 | 0 | 0 | 106.5 | L93 V102 L118 R128 F131 | L93-I96 HydrophobicContact CD1-CG1 4.35Å; L93-I96 HydrophobicContact CD2-CD1 4.03Å; L93-I96 HydrophobicContact CD2-CG1 4.02Å; L93-I96 HydrophobicContact CG-CG1 4.47Å; I96-V102 HydrophobicContact CG1-CG1 4.19Å; I96-V102 HydrophobicContact CG2-CG1 4.43Å; I96-L118 HydrophobicContact CD1-CD1 4.06Å; I96-L118 HydrophobicContact CG1-CD1 4.24Å; I96-L118 HydrophobicContact CG2-CD1 3.62Å; I96-L118 HydrophobicContact CG2-CG 4.5Å; I96-R128 HydrophobicContact CD1-CG 4.09Å; I96-F131 HydrophobicContact CD1-CB 4.11Å; I96-F131 HydrophobicContact CD1-CD1 3.69Å; I96-F131 HydrophobicContact CD1-CE1 4.42Å; I96-F131 HydrophobicContact CD1-CG 4.07Å; I96-F131 HydrophobicContact CG1-CD1 4.19Å; I96-F131 HydrophobicContact CG1-CE1 4.47Å |
| 97 | N | 92.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 56 Ų | 56 | 35% | 0.353 | 28% | 0.28 | S | S | . | . | trans | -82.3 | 158 | -178.7 | -62.6 | -24.1 | 0 | 0 | 0 | 111.2 | D99 G100 F101 | N97-D99 WeakPolarHBondContact CB-OD1 3.23Å; N97-D99 PolarHBondContact O-N 3.39Å; N97-G100 WeakPolarHBondContact O-CA 3.36Å; N97-G100 PolarHBondContact O-N 2.95Å; N97-F101 WeakPolarHBondContact CB-O 3.45Å; N97-F101 PolarHBondContact N-O 3.48Å | ||
| 98 | D | 89.4 | Confident | 94.3 | Very high | 182 Ų | 182 | 56.6 Ų | 56.6 | 97% | 0.973 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.5 | -179.6 | -68.2 | -27.5 | 0 | 0 | 0 | 113.2 | G100 | D98-G100 PolarHBondContact O-N 3.36Š|
| 99 | D | 90.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.1 | 175.7 | 64 | 2.7 | 0 | 0 | 0 | 113.6 | N97 F101 | N97-D99 WeakPolarHBondContact CB-OD1 3.23Å; N97-D99 PolarHBondContact O-N 3.39Å; D99-F101 HydrophobicContact CB-CD2 4.4Å; D99-F101 PolarHBondContact OD1-N 2.82Å; D99-F101 VanDerWaalsContact OD1-N 3.09Å; D99-F101 WeakPolarHBondContact OD2-CD2 3.35Å |
| 100 | G | 90.4 | Very high | 94.1 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 86 | -1.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | N97 D98 K117 L118 | N97-G100 WeakPolarHBondContact O-CA 3.36Å; N97-G100 PolarHBondContact O-N 2.95Å; D98-G100 PolarHBondContact O-N 3.36Å; G100-K117 WeakPolarHBondContact O-CA 3.38Å; G100-L118 PolarHBondContact O-N 2.89Å |
| 101 | F | 94.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 154 | 168.5 | -74.3 | -88 | 0 | 0 | 0 | 110.8 | N97 D99 L116 K117 | N97-F101 WeakPolarHBondContact CB-O 3.45Å; N97-F101 PolarHBondContact N-O 3.48Å; D99-F101 HydrophobicContact CB-CD2 4.4Å; D99-F101 PolarHBondContact OD1-N 2.82Å; D99-F101 VanDerWaalsContact OD1-N 3.09Å; D99-F101 WeakPolarHBondContact OD2-CD2 3.35Å; F101-L116 CarbonylContact C-O 3.58Å; F101-L116 WeakPolarHBondContact CA-O 3.44Å; F101-K117 HydrophobicContact CD1-CG 3.78Å; F101-K117 HydrophobicContact CD2-CG 4.33Å; F101-K117 HydrophobicContact CE1-CD 4.47Å; F101-K117 HydrophobicContact CE1-CG 3.89Å; F101-K117 HydrophobicContact CE2-CD 4.45Å; F101-K117 HydrophobicContact CE2-CG 4.46Å; F101-K117 HydrophobicContact CG-CG 4.02Å; F101-K117 HydrophobicContact CZ-CD 4.37Å; F101-K117 HydrophobicContact CZ-CG 4.25Å |
| 102 | V | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.4 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | L93 A95 I96 I104 N114 L116 L118 I151 | L93-V102 HydrophobicContact CD1-CB 3.75Å; L93-V102 HydrophobicContact CD1-CG1 3.99Å; L93-V102 HydrophobicContact CD1-CG2 4.41Å; A95-V102 WeakPolarHBondContact O-CA 3.26Å; I96-V102 HydrophobicContact CG1-CG1 4.19Å; I96-V102 HydrophobicContact CG2-CG1 4.43Å; V102-I104 HydrophobicContact CB-CG2 4.23Å; V102-I104 HydrophobicContact CG2-CG2 3.73Å; V102-N114 WeakPolarHBondContact O-CA 3.49Å; V102-L116 HydrophobicContact CG2-CB 4.21Å; V102-L116 WeakPolarHBondContact CG2-O 3.44Å; V102-L116 PolarHBondContact N-O 2.82Å; V102-L118 HydrophobicContact CG1-CD1 4.36Å; V102-L118 HydrophobicContact CG1-CD2 3.9Å; V102-L118 HydrophobicContact CG1-CG 3.61Å; V102-I151 HydrophobicContact CG2-CD1 3.6Å |
| 103 | S | 95.8 | Very high | 93.9 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.8 | 165.8 | -61.4 | 0 | 0 | 0 | 0 | 108.3 | M94 A95 K113 N114 | M94-S103 WeakPolarHBondContact CA-O 3.4Å; M94-S103 WeakPolarHBondContact CB-O 3.46Å; M94-S103 PolarHBondContact N-O 3.44Å; A95-S103 PolarHBondContact N-O 2.88Å; A95-S103 PolarHBondContact O-N 2.64Å; S103-K113 WeakPolarHBondContact CA-O 3.47Å; S103-N114 VanDerWaalsContact CA-OD1 3.25Å; S103-N114 WeakPolarHBondContact CA-OD1 3.43Å; S103-N114 WeakPolarHBondContact CB-OD1 3.31Å; S103-N114 PolarHBondContact OG-OD1 3.35Å |
| 104 | I | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.3 | 179.5 | 66.6 | 179.7 | 0 | 0 | 0 | 110.8 | Y91 Q92 L93 V102 E112 K113 L116 V140 V142 | Y91-I104 HydrophobicContact CD1-CD1 4.15Å; Y91-I104 HydrophobicContact CD1-CG1 4.24Å; Y91-I104 HydrophobicContact CD2-CD1 4.01Å; Y91-I104 HydrophobicContact CG-CB 4.44Å; Y91-I104 HydrophobicContact CG-CD1 3.78Å; Y91-I104 HydrophobicContact CG-CG1 4.16Å; Q92-I104 CarbonylContact O-C 3.49Å; Q92-I104 WeakPolarHBondContact O-CA 3.17Å; L93-I104 HydrophobicContact CD1-CG2 3.78Å; V102-I104 HydrophobicContact CB-CG2 4.23Å; V102-I104 HydrophobicContact CG2-CG2 3.73Å; I104-E112 CarbonylContact O-C 3.49Å; I104-E112 WeakPolarHBondContact O-CA 3.32Å; I104-K113 HydrophobicContact CD1-CB 4.1Å; I104-K113 HydrophobicContact CG1-CB 3.66Å; I104-K113 PolarHBondContact N-O 2.98Å; I104-K113 PolarHBondContact O-N 2.92Å; I104-L116 HydrophobicContact CD1-CD1 3.84Å; I104-V140 HydrophobicContact CB-CG2 4.45Å; I104-V140 HydrophobicContact CG2-CG2 3.68Å; I104-V142 HydrophobicContact CD1-CG2 3.67Å |
| 105 | L | 96 | Very high | 93.9 | Very high | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.6 | -177.4 | -179.4 | 70.8 | 0 | 0 | 0 | 110.9 | Y91 Q92 M94 M107 E112 | Y91-L105 CarbonylContact C-O 3.49Å; Y91-L105 WeakPolarHBondContact CA-O 3.25Å; Y91-L105 WeakPolarHBondContact CB-O 3.21Å; Q92-L105 HydrophobicContact CB-CB 4.34Å; Q92-L105 PolarHBondContact N-O 3.03Å; Q92-L105 PolarHBondContact O-N 2.86Å; M94-L105 HydrophobicContact CG-CB 3.83Å; M94-L105 HydrophobicContact SD-CB 4.11Å; M94-L105 HydrophobicContact SD-CD2 4.3Å; L105-M107 HydrophobicContact CD2-SD 4.22Å; L105-M107 PolarHBondContact O-N 3.16Å; L105-E112 HydrophobicContact CD1-CG 3.83Å |
| 106 | D | 95.6 | Very high | 94 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | trans | -77 | 113.8 | 169.2 | -175.2 | -19.3 | 0 | 0 | 0 | 109.7 | K89 Y91 D108 T109 L110 S111 | K89-D106 VanDerWaalsContact CE-CG 3.45Å; K89-D106 WeakPolarHBondContact CE-OD1 3.27Å; K89-D106 WeakPolarHBondContact CE-OD2 3.46Å; K89-D106 IonicContact NZ-OD1 2.72Å; K89-D106 PolarHBondContact NZ-OD1 3.12Å; K89-D106 IonicContact NZ-OD2 2.84Å; K89-D106 PolarHBondContact NZ-OD2 3.09Å; Y91-D106 HydrophobicContact CD1-CB 3.9Å; Y91-D106 HydrophobicContact CE1-CB 3.83Å; D106-D108 PolarHBondContact O-N 3.37Å; D106-D108 WeakPolarHBondContact OD1-CB 3.39Å; D106-D108 PolarHBondContact OD1-N 3.42Å; D106-T109 VanDerWaalsContact CB-OG1 3.27Å; D106-T109 WeakPolarHBondContact CB-OG1 3.27Å; D106-T109 PolarHBondContact OD1-N 3.39Å; D106-T109 WeakPolarHBondContact OD2-CG2 3.47Å; D106-T109 PolarHBondContact OD2-OG1 3.43Å; D106-L110 WeakPolarHBondContact O-CA 3.49Å; D106-L110 PolarHBondContact O-N 2.98Å; D106-S111 WeakPolarHBondContact CB-O 3.45Å; D106-S111 PolarHBondContact N-O 2.95Å | ||
| 107 | M | 91.8 | Very high | 94 | Very high | 96 Ų | 96 | 69.3 Ų | 69.3 | 47% | 0.473 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.6 | -177.1 | -64.5 | -60.5 | -72.6 | 0 | 0 | 113.8 | Q92 L105 | Q92-M107 HydrophobicContact CB-CG 4.31Å; Q92-M107 HydrophobicContact CB-SD 3.87Å; Q92-M107 PolarHBondContact OE1-SD 3.4Å; L105-M107 HydrophobicContact CD2-SD 4.22Å; L105-M107 PolarHBondContact O-N 3.16Å |
| 108 | D | 93.2 | Very high | 94 | Very high | 136 Ų | 136 | 67 Ų | 67 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -41.1 | 179.9 | -57.3 | -48.8 | 0 | 0 | 0 | 111.8 | K89 D106 | K89-D108 IonicContact NZ-OD2 2.81Å; K89-D108 PolarHBondContact NZ-OD2 2.84Å; D106-D108 PolarHBondContact O-N 3.37Å; D106-D108 WeakPolarHBondContact OD1-CB 3.39Å; D106-D108 PolarHBondContact OD1-N 3.42Å |
| 109 | T | 94.9 | Very high | 94.2 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -12 | -172.8 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | D106 S111 | D106-T109 VanDerWaalsContact CB-OG1 3.27Å; D106-T109 WeakPolarHBondContact CB-OG1 3.27Å; D106-T109 PolarHBondContact OD1-N 3.39Å; D106-T109 WeakPolarHBondContact OD2-CG2 3.47Å; D106-T109 PolarHBondContact OD2-OG1 3.43Å; T109-S111 PolarHBondContact O-N 2.9Å; T109-S111 WeakPolarHBondContact OG1-CB 3.5Å; T109-S111 PolarHBondContact OG1-N 2.99Å; T109-S111 PolarHBondContact OG1-OG 3.29Å |
| 110 | L | 93.3 | Very high | 94.1 | Very high | 130 Ų | 130 | 64.4 Ų | 64.4 | 68% | 0.681 | 34% | 0.335 | S | S | * | . | trans | 57.9 | 20.6 | -171.6 | -52.9 | 177.2 | 0 | 0 | 0 | 113.6 | D106 | D106-L110 WeakPolarHBondContact O-CA 3.49Å; D106-L110 PolarHBondContact O-N 2.98Å | ||
| 111 | S | 94.9 | Very high | 94.1 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | trans | -82 | 137.4 | 174.8 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | D106 T109 | D106-S111 WeakPolarHBondContact CB-O 3.45Å; D106-S111 PolarHBondContact N-O 2.95Å; T109-S111 PolarHBondContact O-N 2.9Å; T109-S111 WeakPolarHBondContact OG1-CB 3.5Å; T109-S111 PolarHBondContact OG1-N 2.99Å; T109-S111 PolarHBondContact OG1-OG 3.29Å | ||
| 112 | E | 94.6 | Very high | 93.9 | Very high | 132 Ų | 132 | 70.7 Ų | 70.7 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 142.8 | 174.6 | -65.5 | 178.3 | -166.7 | 0 | 0 | 111.6 | I104 L105 | I104-E112 CarbonylContact O-C 3.49Å; I104-E112 WeakPolarHBondContact O-CA 3.32Å; L105-E112 HydrophobicContact CD1-CG 3.83Å |
| 113 | K | 94.7 | Very high | 93.7 | Very high | 41 Ų | 41 | 73.1 Ų | 73.1 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.4 | 170.6 | -80 | 175.5 | 60.8 | 66.8 | 0 | 109.5 | Y91 S103 I104 D115 E149 | Y91-K113 HydrophobicContact CE1-CD 4.08Å; S103-K113 WeakPolarHBondContact CA-O 3.47Å; I104-K113 HydrophobicContact CD1-CB 4.1Å; I104-K113 HydrophobicContact CG1-CB 3.66Å; I104-K113 PolarHBondContact N-O 2.98Å; I104-K113 PolarHBondContact O-N 2.92Å; K113-D115 IonicContact NZ-OD1 2.99Å; K113-D115 PolarHBondContact NZ-OD1 2.82Å; K113-D115 IonicContact NZ-OD2 3.37Å; K113-D115 PolarHBondContact NZ-OD2 3.09Å; K113-E149 WeakPolarHBondContact CE-OE2 3.17Å; K113-E149 IonicContact NZ-OE1 3.67Å; K113-E149 IonicContact NZ-OE2 3.09Å; K113-E149 PolarHBondContact NZ-OE2 3.5Å |
| 114 | N | 95.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 72.2 Ų | 72.2 | 42% | 0.422 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 9.8 | -177.8 | -63.9 | -59.5 | 0 | 0 | 0 | 112.5 | V102 S103 | V102-N114 WeakPolarHBondContact O-CA 3.49Å; S103-N114 VanDerWaalsContact CA-OD1 3.25Å; S103-N114 WeakPolarHBondContact CA-OD1 3.43Å; S103-N114 WeakPolarHBondContact CB-OD1 3.31Å; S103-N114 PolarHBondContact OG-OD1 3.35Å |
| 115 | D | 94.2 | Very high | 93.5 | Very high | 92 Ų | 92 | 77.2 Ų | 77.2 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -6.1 | -171.8 | 58.5 | -39.1 | 0 | 0 | 0 | 113.7 | K113 | K113-D115 IonicContact NZ-OD1 2.99Å; K113-D115 PolarHBondContact NZ-OD1 2.82Å; K113-D115 IonicContact NZ-OD2 3.37Å; K113-D115 PolarHBondContact NZ-OD2 3.09Å |
| 116 | L | 95.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 79.4 Ų | 79.4 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.6 | -177.3 | -60.7 | -177.8 | 0 | 0 | 0 | 111.9 | F101 V102 I104 V142 E149 I151 | F101-L116 CarbonylContact C-O 3.58Å; F101-L116 WeakPolarHBondContact CA-O 3.44Å; V102-L116 HydrophobicContact CG2-CB 4.21Å; V102-L116 WeakPolarHBondContact CG2-O 3.44Å; V102-L116 PolarHBondContact N-O 2.82Å; I104-L116 HydrophobicContact CD1-CD1 3.84Å; L116-V142 HydrophobicContact CD1-CB 4.31Å; L116-V142 HydrophobicContact CD1-CG1 3.6Å; L116-V142 HydrophobicContact CD1-CG2 3.66Å; L116-E149 HydrophobicContact CD1-CG 4.11Å; L116-E149 HydrophobicContact CD2-CB 4.06Å; L116-E149 HydrophobicContact CD2-CG 3.86Å; L116-I151 HydrophobicContact CD1-CG1 4.49Å |
| 117 | K | 94.7 | Very high | 93.3 | Very high | 114 Ų | 114 | 79 Ų | 79 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 156.6 | 172.8 | -66.6 | -172 | 175 | -167.8 | 0 | 111.1 | G100 F101 | G100-K117 WeakPolarHBondContact O-CA 3.38Å; F101-K117 HydrophobicContact CD1-CG 3.78Å; F101-K117 HydrophobicContact CD2-CG 4.33Å; F101-K117 HydrophobicContact CE1-CD 4.47Å; F101-K117 HydrophobicContact CE1-CG 3.89Å; F101-K117 HydrophobicContact CE2-CD 4.45Å; F101-K117 HydrophobicContact CE2-CG 4.46Å; F101-K117 HydrophobicContact CG-CG 4.02Å; F101-K117 HydrophobicContact CZ-CD 4.37Å; F101-K117 HydrophobicContact CZ-CG 4.25Å |
| 118 | L | 93.2 | Very high | 93.4 | Very high | 17 Ų | 17 | 78.5 Ų | 78.5 | 9% | 0.089 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 140.3 | 166.5 | -75.8 | 173.9 | 0 | 0 | 0 | 110.7 | I96 G100 V102 I127 R128 | I96-L118 HydrophobicContact CD1-CD1 4.06Å; I96-L118 HydrophobicContact CG1-CD1 4.24Å; I96-L118 HydrophobicContact CG2-CD1 3.62Å; I96-L118 HydrophobicContact CG2-CG 4.5Å; G100-L118 PolarHBondContact O-N 2.89Å; V102-L118 HydrophobicContact CG1-CD1 4.36Å; V102-L118 HydrophobicContact CG1-CD2 3.9Å; V102-L118 HydrophobicContact CG1-CG 3.61Å; L118-I127 HydrophobicContact CD2-CB 3.98Å; L118-I127 HydrophobicContact CD2-CD1 4.17Å; L118-I127 HydrophobicContact CD2-CG2 3.47Å; L118-I127 VanDerWaalsContact CD2-CG2 3.47Å; L118-R128 HydrophobicContact CD1-CG 3.55Å; L118-R128 VanDerWaalsContact CD1-CZ 3.42Å |
| 119 | P | 92.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 74.6 Ų | 74.6 | 21% | 0.214 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 149.8 | 175.7 | 29 | -33.5 | 0 | 0 | 0 | 109.8 | V123 G124 I127 I151 | P119-V123 HydrophobicContact CG-CB 4.13Å; P119-V123 HydrophobicContact CG-CG1 3.82Å; P119-G124 WeakPolarHBondContact O-CA 3.44Å; P119-I127 HydrophobicContact CG-CD1 4.22Å; P119-I151 WeakPolarHBondContact CB-O 3.39Å; P119-I151 WeakPolarHBondContact CG-O 3.22Å |
| 120 | E | 89.3 | Confident | 93.3 | Very high | 195 Ų | 195 | 71.1 Ų | 71.1 | 91% | 0.911 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -72.1 | 159.7 | 173.8 | -63.2 | -174.9 | 170.1 | 0 | 0 | 111.3 | ||
| 121 | G | 89.7 | Confident | 93.3 | Very high | 59 Ų | 59 | 68 Ų | 68 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 80.7 | -154.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V123 G124 Q125 | G121-V123 PolarHBondContact O-N 2.84Å; G121-G124 PolarHBondContact O-N 2.93Å; G121-Q125 PolarHBondContact O-N 3.4Å |
| 122 | E | 91.7 | Very high | 93 | Very high | 148 Ų | 148 | 72.7 Ų | 72.7 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | -168.5 | -167.8 | -176.8 | 167.5 | 0 | 0 | 112.8 | G124 Q125 Q126 | E122-G124 PolarHBondContact O-N 3.32Å; E122-Q125 PolarHBondContact O-N 2.82Å; E122-Q126 HydrophobicContact CG-CG 4.36Å; E122-Q126 VanDerWaalsContact O-CG 3.27Å; E122-Q126 WeakPolarHBondContact O-CG 3.22Å; E122-Q126 PolarHBondContact O-N 3.31Å; E122-Q126 PolarHBondContact OE1-NE2 2.84Å |
| 123 | V | 91.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | P119 G121 Q125 Q126 I127 | P119-V123 HydrophobicContact CG-CB 4.13Å; P119-V123 HydrophobicContact CG-CG1 3.82Å; G121-V123 PolarHBondContact O-N 2.84Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 2.83Å; V123-Q126 PolarHBondContact O-N 2.7Å; V123-I127 HydrophobicContact CG1-CD1 3.96Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.42Å |
| 124 | G | 93.6 | Very high | 92 | Very high | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P119 G121 E122 I127 R128 | P119-G124 WeakPolarHBondContact O-CA 3.44Å; G121-G124 PolarHBondContact O-N 2.93Å; E122-G124 PolarHBondContact O-N 3.32Å; G124-I127 PolarHBondContact O-N 2.82Å; G124-R128 WeakPolarHBondContact O-CG 3.41Å; G124-R128 PolarHBondContact O-N 2.89Å; G124-R128 VanDerWaalsContact O-N 3.1Å |
| 125 | Q | 93.2 | Very high | 91 | Very high | 105 Ų | 105 | 77.5 Ų | 77.5 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176.6 | -170.2 | 60.6 | 51 | 0 | 0 | 111.6 | G121 E122 V123 I127 R128 D129 | G121-Q125 PolarHBondContact O-N 3.4Å; E122-Q125 PolarHBondContact O-N 2.82Å; V123-Q125 VanDerWaalsContact C-N 3.33Å; V123-Q125 PolarHBondContact O-N 2.83Å; Q125-I127 VanDerWaalsContact C-N 3.28Å; Q125-I127 PolarHBondContact O-N 3.12Å; Q125-R128 PolarHBondContact O-N 2.78Å; Q125-D129 PolarHBondContact NE2-OD1 3.43Å; Q125-D129 WeakPolarHBondContact O-CB 3.46Å; Q125-D129 PolarHBondContact O-N 2.83Å |
| 126 | Q | 94.1 | Very high | 90.4 | Very high | 72 Ų | 72 | 75.4 Ų | 75.4 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 176.9 | -72 | 174 | -1.3 | 0 | 0 | 112.2 | E122 V123 A130 Y154 | E122-Q126 HydrophobicContact CG-CG 4.36Å; E122-Q126 VanDerWaalsContact O-CG 3.27Å; E122-Q126 WeakPolarHBondContact O-CG 3.22Å; E122-Q126 PolarHBondContact O-N 3.31Å; E122-Q126 PolarHBondContact OE1-NE2 2.84Å; V123-Q126 PolarHBondContact O-N 2.7Å; Q126-A130 WeakPolarHBondContact O-CB 3.3Å; Q126-A130 PolarHBondContact O-N 2.84Å; Q126-Y154 HydrophobicContact CB-CE1 3.61Å |
| 127 | I | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 175.9 | -68.1 | 167.4 | 0 | 0 | 0 | 111.1 | L93 L118 P119 V123 G124 Q125 A130 F131 I138 V140 I151 Y154 | L93-I127 HydrophobicContact CD2-CG2 3.76Å; L118-I127 HydrophobicContact CD2-CB 3.98Å; L118-I127 HydrophobicContact CD2-CD1 4.17Å; L118-I127 HydrophobicContact CD2-CG2 3.47Å; L118-I127 VanDerWaalsContact CD2-CG2 3.47Å; P119-I127 HydrophobicContact CG-CD1 4.22Å; V123-I127 HydrophobicContact CG1-CD1 3.96Å; V123-I127 VanDerWaalsContact O-CG1 3.25Å; V123-I127 WeakPolarHBondContact O-CG1 3.44Å; V123-I127 PolarHBondContact O-N 3.42Å; G124-I127 PolarHBondContact O-N 2.82Å; Q125-I127 VanDerWaalsContact C-N 3.28Å; Q125-I127 PolarHBondContact O-N 3.12Å; I127-A130 PolarHBondContact O-N 2.94Å; I127-F131 WeakPolarHBondContact O-CB 3.47Å; I127-F131 PolarHBondContact O-N 3.18Å; I127-I138 HydrophobicContact CG2-CD1 3.9Å; I127-V140 HydrophobicContact CD1-CG1 4.47Å; I127-V140 HydrophobicContact CG2-CG1 4.06Å; I127-I151 HydrophobicContact CD1-CG2 3.62Å; I127-Y154 HydrophobicContact CG1-CD1 3.61Å; I127-Y154 HydrophobicContact CG1-CE1 4.44Å; I127-Y154 HydrophobicContact CG1-CG 3.86Å |
| 128 | R | 93.3 | Very high | 90.1 | Very high | 86 Ų | 86 | 69.9 Ų | 69.9 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.3 | -52.2 | 176.1 | -70.4 | 177.9 | -173.1 | -87 | 0.6 | 110.9 | I96 L118 G124 Q125 A130 F131 E132 | I96-R128 HydrophobicContact CD1-CG 4.09Å; L118-R128 HydrophobicContact CD1-CG 3.55Å; L118-R128 VanDerWaalsContact CD1-CZ 3.42Å; G124-R128 WeakPolarHBondContact O-CG 3.41Å; G124-R128 PolarHBondContact O-N 2.89Å; G124-R128 VanDerWaalsContact O-N 3.1Å; Q125-R128 PolarHBondContact O-N 2.78Å; R128-A130 VanDerWaalsContact C-N 3.3Å; R128-A130 PolarHBondContact O-N 3.24Å; R128-F131 PolarHBondContact O-N 2.85Å; R128-E132 WeakPolarHBondContact O-CG 3.46Å; R128-E132 PolarHBondContact O-N 2.98Å |
| 129 | D | 93.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 70 Ų | 70 | 29% | 0.289 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 179 | -80.9 | 31.5 | 0 | 0 | 0 | 112.5 | Q125 K133 | Q125-D129 PolarHBondContact NE2-OD1 3.43Å; Q125-D129 WeakPolarHBondContact O-CB 3.46Å; Q125-D129 PolarHBondContact O-N 2.83Å; D129-K133 WeakPolarHBondContact O-CB 3.48Å; D129-K133 WeakPolarHBondContact O-CD 3.04Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 2.84Å; D129-K133 VanDerWaalsContact O-N 3.15Å; D129-K133 IonicContact OD2-NZ 3.02Å; D129-K133 PolarHBondContact OD2-NZ 2.92Å |
| 130 | A | 92.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.7 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q126 I127 R128 K133 D134 I138 Y154 | Q126-A130 WeakPolarHBondContact O-CB 3.3Å; Q126-A130 PolarHBondContact O-N 2.84Å; I127-A130 PolarHBondContact O-N 2.94Å; R128-A130 VanDerWaalsContact C-N 3.3Å; R128-A130 PolarHBondContact O-N 3.24Å; A130-K133 PolarHBondContact O-N 3Å; A130-D134 WeakPolarHBondContact O-CB 3.47Å; A130-D134 PolarHBondContact O-N 2.94Å; A130-I138 HydrophobicContact CB-CD1 4.23Å; A130-I138 HydrophobicContact CB-CG2 4.14Å; A130-Y154 HydrophobicContact CB-CD2 3.98Å; A130-Y154 HydrophobicContact CB-CE2 3.47Å; A130-Y154 VanDerWaalsContact CB-CE2 3.47Å |
| 131 | F | 92 | Very high | 90.7 | Very high | 64 Ų | 64 | 60 Ų | 60 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 176.2 | -174.8 | -109.4 | 0 | 0 | 0 | 112.5 | L93 M94 I96 I127 R128 I138 | L93-F131 HydrophobicContact CB-CD2 4.33Å; L93-F131 HydrophobicContact CD2-CB 4.03Å; L93-F131 HydrophobicContact CD2-CD2 3.74Å; L93-F131 HydrophobicContact CD2-CE2 4.39Å; L93-F131 HydrophobicContact CD2-CG 3.89Å; L93-F131 HydrophobicContact CG-CD2 3.94Å; L93-F131 HydrophobicContact CG-CE2 4.12Å; L93-F131 HydrophobicContact CG-CG 4.49Å; L93-F131 WeakPolarHBondContact O-CE2 3.17Å; M94-F131 WeakPolarHBondContact O-CZ 3.33Å; I96-F131 HydrophobicContact CD1-CB 4.11Å; I96-F131 HydrophobicContact CD1-CD1 3.69Å; I96-F131 HydrophobicContact CD1-CE1 4.42Å; I96-F131 HydrophobicContact CD1-CG 4.07Å; I96-F131 HydrophobicContact CG1-CD1 4.19Å; I96-F131 HydrophobicContact CG1-CE1 4.47Å; I127-F131 WeakPolarHBondContact O-CB 3.47Å; I127-F131 PolarHBondContact O-N 3.18Å; R128-F131 PolarHBondContact O-N 2.85Å; F131-I138 HydrophobicContact CB-CD1 4Å; F131-I138 HydrophobicContact CB-CG1 4.46Å; F131-I138 HydrophobicContact CD2-CG1 4.28Å |
| 132 | E | 90.3 | Very high | 91.1 | Very high | 153 Ų | 153 | 57.3 Ų | 57.3 | 72% | 0.715 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -74.4 | -27.5 | 176.5 | -71.3 | 175.4 | -171.5 | 0 | 0 | 113.7 | R128 | R128-E132 WeakPolarHBondContact O-CG 3.46Å; R128-E132 PolarHBondContact O-N 2.98Å |
| 133 | K | 89.4 | Confident | 91.3 | Very high | 153 Ų | 153 | 50.3 Ų | 50.3 | 67% | 0.665 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -92.8 | -28.7 | -176.2 | -72.4 | 169.6 | -169.4 | 158.5 | 0 | 113.9 | D129 A130 | D129-K133 WeakPolarHBondContact O-CB 3.48Å; D129-K133 WeakPolarHBondContact O-CD 3.04Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 2.84Å; D129-K133 VanDerWaalsContact O-N 3.15Å; D129-K133 IonicContact OD2-NZ 3.02Å; D129-K133 PolarHBondContact OD2-NZ 2.92Å; A130-K133 PolarHBondContact O-N 3Å |
| 134 | D | 78 | Confident | 91.5 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | trans | -104.9 | 98.4 | -170.9 | -156.3 | -29.6 | 0 | 0 | 0 | 111.8 | A130 S136 G137 I138 N156 | A130-D134 WeakPolarHBondContact O-CB 3.47Å; A130-D134 PolarHBondContact O-N 2.94Å; D134-S136 PolarHBondContact O-N 2.97Å; D134-S136 VanDerWaalsContact O-N 3.11Å; D134-S136 WeakPolarHBondContact OD1-CB 3.15Å; D134-S136 PolarHBondContact OD1-N 3.07Å; D134-S136 PolarHBondContact OD1-OG 3.01Å; D134-G137 PolarHBondContact O-N 2.83Å; D134-I138 HydrophobicContact CB-CG2 4.35Å; D134-N156 PolarHBondContact OD2-ND2 3.26Å | ||
| 135 | D | 74.9 | Confident | 91.6 | Very high | 174 Ų | 174 | 50.7 Ų | 50.7 | 93% | 0.93 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20 | 174.9 | -69.5 | -33.8 | 0 | 0 | 0 | 113 | G137 | D135-G137 VanDerWaalsContact C-N 3.26Å; D135-G137 PolarHBondContact O-N 3.19Å |
| 136 | S | 82.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.3 | 177.1 | 67 | 0 | 0 | 0 | 0 | 113.8 | D134 | D134-S136 PolarHBondContact O-N 2.97Å; D134-S136 VanDerWaalsContact O-N 3.11Å; D134-S136 WeakPolarHBondContact OD1-CB 3.15Å; D134-S136 PolarHBondContact OD1-N 3.07Å; D134-S136 PolarHBondContact OD1-OG 3.01Å |
| 137 | G | 87.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | trans | 80.7 | 168.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D134 D135 M157 | D134-G137 PolarHBondContact O-N 2.83Å; D135-G137 VanDerWaalsContact C-N 3.26Å; D135-G137 PolarHBondContact O-N 3.19Å; G137-M157 WeakPolarHBondContact O-CB 3.17Å; G137-M157 PolarHBondContact O-N 3.28Å | ||
| 138 | I | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.6 | -178.9 | 65 | 169.6 | 0 | 0 | 0 | 111.1 | L93 I127 A130 F131 D134 V140 Y154 | L93-I138 HydrophobicContact CB-CD1 4.47Å; L93-I138 HydrophobicContact CB-CG1 3.87Å; L93-I138 HydrophobicContact CD2-CD1 3.73Å; L93-I138 HydrophobicContact CD2-CG1 3.99Å; L93-I138 PolarHBondContact N-O 3.23Å; I127-I138 HydrophobicContact CG2-CD1 3.9Å; A130-I138 HydrophobicContact CB-CD1 4.23Å; A130-I138 HydrophobicContact CB-CG2 4.14Å; F131-I138 HydrophobicContact CB-CD1 4Å; F131-I138 HydrophobicContact CB-CG1 4.46Å; F131-I138 HydrophobicContact CD2-CG1 4.28Å; D134-I138 HydrophobicContact CB-CG2 4.35Å; I138-V140 HydrophobicContact CD1-CG1 4.48Å; I138-Y154 HydrophobicContact CD1-CD2 4.44Å |
| 139 | L | 95.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.8 | 170.9 | -62.9 | 174.4 | 0 | 0 | 0 | 108.9 | D90 Y91 Q92 Y154 K155 M157 | D90-L139 HydrophobicContact CB-CB 4.47Å; Y91-L139 CarbonylContact O-C 3.56Å; Y91-L139 VanDerWaalsContact O-CA 3.26Å; Y91-L139 WeakPolarHBondContact O-CA 3.33Å; Q92-L139 HydrophobicContact CB-CD2 4.06Å; L139-Y154 CarbonylContact O-C 3.52Å; L139-Y154 WeakPolarHBondContact O-CA 3.38Å; L139-Y154 WeakPolarHBondContact O-CB 3.36Å; L139-K155 HydrophobicContact CB-CG 3.88Å; L139-K155 HydrophobicContact CD1-CG 4.36Å; L139-K155 PolarHBondContact N-O 3.26Å; L139-K155 PolarHBondContact O-N 2.8Å; L139-M157 HydrophobicContact CD2-CE 4.43Å |
| 140 | V | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.6 | 173.1 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | D90 Y91 L93 I104 I127 I138 I151 | D90-V140 WeakPolarHBondContact CA-O 3.34Å; Y91-V140 PolarHBondContact N-O 2.8Å; Y91-V140 WeakPolarHBondContact O-CG2 3.22Å; Y91-V140 PolarHBondContact O-N 2.72Å; L93-V140 HydrophobicContact CB-CG1 4.13Å; L93-V140 HydrophobicContact CB-CG2 4.44Å; L93-V140 HydrophobicContact CD2-CG1 4.23Å; I104-V140 HydrophobicContact CB-CG2 4.45Å; I104-V140 HydrophobicContact CG2-CG2 3.68Å; I127-V140 HydrophobicContact CD1-CG1 4.47Å; I127-V140 HydrophobicContact CG2-CG1 4.06Å; I138-V140 HydrophobicContact CD1-CG1 4.48Å; V140-I151 HydrophobicContact CB-CG2 3.92Å; V140-I151 HydrophobicContact CG1-CG2 4.25Å; V140-I151 HydrophobicContact CG2-CD1 4.34Å |
| 141 | T | 96.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.5 | 176.7 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | R88 D90 V143 L152 A153 | R88-T141 HydrophobicContact CB-CG2 4.23Å; D90-T141 WeakPolarHBondContact OD1-CA 3.34Å; D90-T141 VanDerWaalsContact OD1-CB 3.26Å; D90-T141 WeakPolarHBondContact OD1-CB 3.29Å; D90-T141 WeakPolarHBondContact OD1-CG2 3.35Å; D90-T141 PolarHBondContact OD1-OG1 3.21Å; T141-V143 HydrophobicContact CG2-CG2 4.3Å; T141-L152 PolarHBondContact O-N 2.8Å; T141-A153 PolarHBondContact N-O 3.48Å |
| 142 | V | 96.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.7 | 172 | 180 | 0 | 0 | 0 | 0 | 109.3 | R88 K89 Y91 I104 L116 E149 C150 I151 | R88-V142 WeakPolarHBondContact CA-O 3.47Å; K89-V142 PolarHBondContact N-O 3.17Å; K89-V142 PolarHBondContact O-N 2.62Å; Y91-V142 HydrophobicContact CD2-CB 3.88Å; Y91-V142 HydrophobicContact CD2-CG2 3.49Å; Y91-V142 VanDerWaalsContact CD2-CG2 3.49Å; Y91-V142 HydrophobicContact CE2-CB 3.69Å; Y91-V142 HydrophobicContact CE2-CG1 4.41Å; Y91-V142 HydrophobicContact CE2-CG2 3.74Å; Y91-V142 HydrophobicContact CG-CG2 4.46Å; I104-V142 HydrophobicContact CD1-CG2 3.67Å; L116-V142 HydrophobicContact CD1-CB 4.31Å; L116-V142 HydrophobicContact CD1-CG1 3.6Å; L116-V142 HydrophobicContact CD1-CG2 3.66Å; V142-E149 HydrophobicContact CG1-CG 3.27Å; V142-E149 VanDerWaalsContact CG1-OE1 3.26Å; V142-E149 WeakPolarHBondContact CG1-OE1 3.41Å; V142-C150 CarbonylContact C-O 3.48Å; V142-C150 WeakPolarHBondContact CA-O 3.32Å; V142-I151 HydrophobicContact CG2-CG1 3.86Å |
| 143 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.2 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | I65 F66 V86 K87 R88 T141 E149 C150 L152 | I65-V143 HydrophobicContact CD1-CG1 4.32Å; F66-V143 HydrophobicContact CE1-CG1 4.34Å; V86-V143 HydrophobicContact CG1-CG1 3.54Å; K87-V143 WeakPolarHBondContact O-CA 3.2Å; R88-V143 HydrophobicContact CG-CG1 4.33Å; R88-V143 HydrophobicContact CG-CG2 3.88Å; T141-V143 HydrophobicContact CG2-CG2 4.3Å; V143-E149 WeakPolarHBondContact O-CA 3.29Å; V143-C150 PolarHBondContact N-O 3.37Å; V143-C150 PolarHBondContact O-N 3.45Å; V143-C150 VanDerWaalsContact O-N 3.09Å; V143-L152 HydrophobicContact CB-CD1 3.74Å; V143-L152 HydrophobicContact CB-CG 4.19Å; V143-L152 HydrophobicContact CG1-CD1 4.11Å; V143-L152 HydrophobicContact CG2-CB 4.04Å; V143-L152 HydrophobicContact CG2-CD1 3.69Å; V143-L152 HydrophobicContact CG2-CG 4.03Å |
| 144 | L | 95.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 38 Ų | 38 | 32% | 0.319 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.4 | 175 | 179.2 | 97.7 | 0 | 0 | 0 | 109.3 | K87 E148 E149 | K87-L144 HydrophobicContact CB-CB 4.35Å; K87-L144 HydrophobicContact CD-CD2 4.01Å; K87-L144 PolarHBondContact N-O 2.8Å; K87-L144 PolarHBondContact O-N 3.27Å; L144-E148 WeakPolarHBondContact CA-O 3.42Å; L144-E149 HydrophobicContact CB-CG 4.47Å; L144-E149 HydrophobicContact CD1-CB 3.89Å; L144-E149 HydrophobicContact CD1-CG 4.24Å |
| 145 | S | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 140.4 | 171.9 | -162.1 | 0 | 0 | 0 | 0 | 111.2 | P84 V85 G147 E148 | P84-S145 WeakPolarHBondContact CB-OG 3.37Å; V85-S145 WeakPolarHBondContact O-CB 3.14Å; V85-S145 PolarHBondContact O-OG 3.48Å; S145-G147 PolarHBondContact O-N 2.96Å; S145-G147 VanDerWaalsContact O-N 3.11Å; S145-E148 PolarHBondContact N-O 2.81Å; S145-E148 PolarHBondContact O-N 2.79Å |
| 146 | M | 94.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 30% | 0.296 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 29.1 | 178.1 | -59.6 | -62.6 | -62.8 | 0 | 0 | 114.4 | L18 T19 L34 P39 P84 E148 | L18-M146 HydrophobicContact CB-SD 3.9Å; T19-M146 HydrophobicContact CG2-CE 4.1Å; T19-M146 HydrophobicContact CG2-SD 3.51Å; T19-M146 VanDerWaalsContact CG2-SD 3.51Å; L34-M146 HydrophobicContact CD1-CE 3.9Å; L34-M146 HydrophobicContact CD1-CG 4Å; L34-M146 HydrophobicContact CD1-SD 3.95Å; L34-M146 HydrophobicContact CD2-CE 4.26Å; P39-M146 HydrophobicContact CB-CG 4.12Å; P39-M146 HydrophobicContact CG-CB 4.42Å; P39-M146 HydrophobicContact CG-CG 4.11Å; P84-M146 HydrophobicContact CB-CG 4.04Å; P84-M146 HydrophobicContact CB-SD 4.13Å; M146-E148 VanDerWaalsContact C-N 3.28Å; M146-E148 PolarHBondContact O-N 3.24Å |
| 147 | G | 92 | Very high | 94.1 | Very high | 67 Ų | 67 | 37 Ų | 37 | 69% | 0.691 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 1.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S145 | S145-G147 PolarHBondContact O-N 2.96Å; S145-G147 VanDerWaalsContact O-N 3.11Å |
| 148 | E | 93.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.7 | 174.8 | -172.2 | 172.8 | 167.8 | 0 | 0 | 109.2 | R38 F66 L144 S145 M146 | R38-E148 IonicContact CZ-OE2 2.61Å; R38-E148 IonicContact NH1-OE2 2.76Å; R38-E148 PolarHBondContact NH1-OE2 3.15Å; R38-E148 IonicContact NH2-OE1 3.03Å; R38-E148 IonicContact NH2-OE2 3.39Å; R38-E148 PolarHBondContact NH2-OE2 3.36Å; F66-E148 VanDerWaalsContact CB-OE1 3.27Å; F66-E148 WeakPolarHBondContact CB-OE1 3.33Å; F66-E148 HydrophobicContact CD2-CB 4.05Å; F66-E148 HydrophobicContact CD2-CG 3.8Å; F66-E148 WeakPolarHBondContact CD2-OE2 3.44Å; F66-E148 HydrophobicContact CE2-CB 3.64Å; F66-E148 HydrophobicContact CE2-CG 3.86Å; F66-E148 HydrophobicContact CG-CG 4.15Å; F66-E148 WeakPolarHBondContact CG-OE1 3.39Å; F66-E148 HydrophobicContact CZ-CB 4.05Å; F66-E148 HydrophobicContact CZ-CG 4.24Å; F66-E148 WeakPolarHBondContact CZ-O 3.43Å; L144-E148 WeakPolarHBondContact CA-O 3.42Å; S145-E148 PolarHBondContact N-O 2.81Å; S145-E148 PolarHBondContact O-N 2.79Å; M146-E148 VanDerWaalsContact C-N 3.28Å; M146-E148 PolarHBondContact O-N 3.24Å |
| 149 | E | 94.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.1 | -179.6 | -167.8 | 172 | -141.6 | 0 | 0 | 109.8 | K113 L116 V142 V143 L144 | K113-E149 WeakPolarHBondContact CE-OE2 3.17Å; K113-E149 IonicContact NZ-OE1 3.67Å; K113-E149 IonicContact NZ-OE2 3.09Å; K113-E149 PolarHBondContact NZ-OE2 3.5Å; L116-E149 HydrophobicContact CD1-CG 4.11Å; L116-E149 HydrophobicContact CD2-CB 4.06Å; L116-E149 HydrophobicContact CD2-CG 3.86Å; V142-E149 HydrophobicContact CG1-CG 3.27Å; V142-E149 VanDerWaalsContact CG1-OE1 3.26Å; V142-E149 WeakPolarHBondContact CG1-OE1 3.41Å; V143-E149 WeakPolarHBondContact O-CA 3.29Å; L144-E149 HydrophobicContact CB-CG 4.47Å; L144-E149 HydrophobicContact CD1-CB 3.89Å; L144-E149 HydrophobicContact CD1-CG 4.24Å |
| 150 | C | 94.5 | Very high | 91.4 | Very high | 29 Ų | 29 | 59.2 Ų | 59.2 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 163.8 | 173.3 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | F66 V142 V143 L152 | F66-C150 WeakPolarHBondContact CD1-SG 3.29Å; F66-C150 VanDerWaalsContact CE1-SG 3.54Å; V142-C150 CarbonylContact C-O 3.48Å; V142-C150 WeakPolarHBondContact CA-O 3.32Å; V143-C150 PolarHBondContact N-O 3.37Å; V143-C150 PolarHBondContact O-N 3.45Å; V143-C150 VanDerWaalsContact O-N 3.09Å; C150-L152 WeakPolarHBondContact SG-CD2 3.37Å; C150-L152 VanDerWaalsContact SG-CG 3.59Å |
| 151 | I | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124.3 | 173.2 | -63.9 | 162.2 | 0 | 0 | 0 | 108.8 | V102 L116 P119 I127 V140 V142 | V102-I151 HydrophobicContact CG2-CD1 3.6Å; L116-I151 HydrophobicContact CD1-CG1 4.49Å; P119-I151 WeakPolarHBondContact CB-O 3.39Å; P119-I151 WeakPolarHBondContact CG-O 3.22Å; I127-I151 HydrophobicContact CD1-CG2 3.62Å; V140-I151 HydrophobicContact CB-CG2 3.92Å; V140-I151 HydrophobicContact CG1-CG2 4.25Å; V140-I151 HydrophobicContact CG2-CD1 4.34Å; V142-I151 HydrophobicContact CG2-CG1 3.86Å |
| 152 | L | 94.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -13.7 | -177.4 | -67.8 | -173.8 | 0 | 0 | 0 | 114.7 | I65 F66 T141 V143 C150 | I65-L152 VanDerWaalsContact O-CD1 3.32Å; I65-L152 WeakPolarHBondContact O-CD1 3.38Å; I65-L152 WeakPolarHBondContact O-CD2 3.29Å; F66-L152 HydrophobicContact CD1-CD1 4.35Å; F66-L152 HydrophobicContact CE1-CD1 4.46Å; T141-L152 PolarHBondContact O-N 2.8Å; V143-L152 HydrophobicContact CB-CD1 3.74Å; V143-L152 HydrophobicContact CB-CG 4.19Å; V143-L152 HydrophobicContact CG1-CD1 4.11Å; V143-L152 HydrophobicContact CG2-CB 4.04Å; V143-L152 HydrophobicContact CG2-CD1 3.69Å; V143-L152 HydrophobicContact CG2-CG 4.03Å; C150-L152 WeakPolarHBondContact SG-CD2 3.37Å; C150-L152 VanDerWaalsContact SG-CG 3.59Å |
| 153 | A | 94.2 | Very high | 90.6 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 169.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T141 | T141-A153 PolarHBondContact N-O 3.48Å |
| 154 | Y | 95.3 | Very high | 90.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 162.3 | 169.1 | 74.9 | -76.3 | 0 | 0 | 0 | 110.6 | Q126 I127 A130 I138 L139 | Q126-Y154 HydrophobicContact CB-CE1 3.61Å; I127-Y154 HydrophobicContact CG1-CD1 3.61Å; I127-Y154 HydrophobicContact CG1-CE1 4.44Å; I127-Y154 HydrophobicContact CG1-CG 3.86Å; A130-Y154 HydrophobicContact CB-CD2 3.98Å; A130-Y154 HydrophobicContact CB-CE2 3.47Å; A130-Y154 VanDerWaalsContact CB-CE2 3.47Å; I138-Y154 HydrophobicContact CD1-CD2 4.44Å; L139-Y154 CarbonylContact O-C 3.52Å; L139-Y154 WeakPolarHBondContact O-CA 3.38Å; L139-Y154 WeakPolarHBondContact O-CB 3.36Å |
| 155 | K | 94.4 | Very high | 89.9 | Confident | 100 Ų | 100 | 72.6 Ų | 72.6 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.2 | 170.5 | 65.6 | -171.4 | -169 | -169.8 | 0 | 109.2 | D90 L139 | D90-K155 VanDerWaalsContact OD2-CE 3.27Å; D90-K155 WeakPolarHBondContact OD2-CE 3.4Å; D90-K155 IonicContact OD2-NZ 3.86Å; D90-K155 PolarHBondContact OD2-NZ 3.24Å; L139-K155 HydrophobicContact CB-CG 3.88Å; L139-K155 HydrophobicContact CD1-CG 4.36Å; L139-K155 PolarHBondContact N-O 3.26Å; L139-K155 PolarHBondContact O-N 2.8Å |
| 156 | N | 90.8 | Very high | 89.5 | Confident | 87 Ų | 87 | 77.3 Ų | 77.3 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 149.4 | 174.7 | -63.1 | -0.4 | 0 | 0 | 0 | 109.7 | D134 | D134-N156 PolarHBondContact OD2-ND2 3.26Å |
| 157 | M | 86.8 | Confident | 89.2 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 20% | 0.197 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 140.9 | 174.4 | -156.4 | 166.2 | -56.3 | 0 | 0 | 109.7 | Q92 G137 L139 K159 | Q92-M157 HydrophobicContact CB-CE 4.49Å; Q92-M157 HydrophobicContact CG-CE 3.76Å; G137-M157 WeakPolarHBondContact O-CB 3.17Å; G137-M157 PolarHBondContact O-N 3.28Å; L139-M157 HydrophobicContact CD2-CE 4.43Å; M157-K159 PolarHBondContact O-N 3.47Å |
| 158 | P | 81.3 | Confident | 89 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 66% | 0.656 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 127.1 | 171.2 | -19.4 | 30.9 | 0 | 0 | 0 | 108.9 | ||
| 159 | K | 73.8 | Confident | 88.6 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 69% | 0.687 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 118.6 | 169.7 | -61.4 | -174.5 | -179.9 | -172.5 | 0 | 106.8 | M157 | M157-K159 PolarHBondContact O-N 3.47Š|
| 160 | D | 66.9 | Low | 88.1 | Confident | 239 Ų | 239 | 82.9 Ų | 82.9 | 100% | 1.278 | 43% | 0.432 | S | S | * | . | trans | -57.9 | 0 | 170.2 | -71.8 | -56.4 | 0 | 0 | 0 | 112 |
Retrieved 160 of 160 residues in 151.2 ms
(Link to these results)