| 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 | 39.5 | Very low | 68.4 | Low | 246 Ų | 246 | 109.1 Ų | 109.1 | 100% | 1.212 | 62% | 0.62 | S | S | * | * | 0 | 100.6 | 0 | -140.1 | 171.2 | -169.5 | 0 | 0 | 106.1 | I3 | M1-I3 PolarHBondContact O-N 2.84Š| |||
| 2 | G | 47.3 | Very low | 70.1 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 77% | 0.773 | 59% | 0.59 | S | S | * | * | trans | -72.4 | 123.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | S4 | G2-S4 PolarHBondContact O-N 3Å; G2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | I | 52.4 | Low | 71.6 | Confident | 146 Ų | 146 | 100.8 Ų | 100.8 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | trans | -68.2 | 96.1 | 172.7 | 35.4 | 168.5 | 0 | 0 | 0 | 109 | M1 Q5 I57 | M1-I3 PolarHBondContact O-N 2.84Å; I3-Q5 PolarHBondContact O-N 3.19Å; I3-I57 HydrophobicContact CG1-CD1 4.4Å; I3-I57 WeakPolarHBondContact O-CD1 3.29Å | ||
| 4 | S | 57.4 | Low | 73.2 | Confident | 110 Ų | 110 | 98.9 Ų | 98.9 | 77% | 0.769 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124 | 171.6 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | G2 | G2-S4 PolarHBondContact O-N 3Å; G2-S4 VanDerWaalsContact O-N 3.09Å |
| 5 | Q | 63.3 | Low | 74.6 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 122.8 | 167.5 | -172.4 | 169 | -5.8 | 0 | 0 | 108.1 | I3 I57 | I3-Q5 PolarHBondContact O-N 3.19Å; Q5-I57 HydrophobicContact CB-CG2 4Å |
| 6 | F | 67.5 | Low | 75.9 | Confident | 182 Ų | 182 | 88.4 Ų | 88.4 | 80% | 0.798 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 141.5 | 173.4 | 68.4 | -87.2 | 0 | 0 | 0 | 110 | ||
| 7 | S | 74.7 | Confident | 77 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | trans | -122.4 | 134.7 | 168.6 | 170.3 | 0 | 0 | 0 | 0 | 107.4 | A9 W44 | S7-A9 PolarHBondContact O-N 2.73Å; S7-A9 VanDerWaalsContact O-N 3.11Å; S7-W44 WeakPolarHBondContact OG-CZ3 3.21Å | ||
| 8 | I | 83.9 | Confident | 78.1 | Confident | 124 Ų | 124 | 88.4 Ų | 88.4 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | trans | -75.7 | 101.3 | 172 | -62.2 | 175.6 | 0 | 0 | 0 | 107 | H10 | I8-H10 WeakPolarHBondContact CG2-O 3.4Š| ||
| 9 | A | 87.1 | Confident | 78.9 | Confident | 27 Ų | 27 | 90.3 Ų | 90.3 | 22% | 0.223 | 51% | 0.51 | C | S | . | . | trans | -66 | -46.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S7 V14 R42 W44 | S7-A9 PolarHBondContact O-N 2.73Å; S7-A9 VanDerWaalsContact O-N 3.11Å; A9-V14 HydrophobicContact CB-CG2 4.25Å; A9-R42 WeakPolarHBondContact O-CD 3.43Å; A9-R42 PolarHBondContact O-NE 3.16Å; A9-W44 VanDerWaalsContact CA-CZ2 3.49Å; A9-W44 HydrophobicContact CB-CH2 4.24Å; A9-W44 HydrophobicContact CB-CZ2 3.78Å | ||
| 10 | H | 90 | Very high | 79.5 | Confident | 13 Ų | 13 | 86 Ų | 86 | 6% | 0.06 | 49% | 0.485 | C | S | . | . | trans | -143.8 | 152.6 | -176.1 | -68.5 | -78.1 | 0 | 0 | 0 | 108.7 | I8 G12 V14 S28 G30 G31 S40 | I8-H10 WeakPolarHBondContact CG2-O 3.4Å; H10-G12 VanDerWaalsContact C-N 3.32Å; H10-V14 HydrophobicContact CB-CG2 4.4Å; H10-S28 WeakPolarHBondContact NE2-CB 3.31Å; H10-S28 PolarHBondContact NE2-OG 2.8Å; H10-G30 PolarHBondContact CE1-N 2.84Å; H10-G30 PolarHBondContact ND1-O 2.91Å; H10-G31 WeakPolarHBondContact CB-O 3.49Å; H10-S40 PolarHBondContact CE1-O 2.81Å; H10-S40 PolarHBondContact CE1-OG 2.73Å; H10-S40 PolarHBondContact ND1-OG 2.95Å | ||
| 11 | T | 89.9 | Confident | 79.9 | Confident | 99 Ų | 99 | 84.3 Ų | 84.3 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -87.2 | -5.6 | 177 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | G31 S32 G33 | T11-G31 PolarHBondContact N-O 2.81Å; T11-S32 PolarHBondContact OG1-O 2.95Å; T11-G33 WeakPolarHBondContact OG1-CA 3.48Å; T11-G33 PolarHBondContact OG1-N 3.21Å; T11-G33 VanDerWaalsContact OG1-N 3.13Å |
| 12 | G | 88.6 | Confident | 82 | Confident | 25 Ų | 25 | 75 Ų | 75 | 26% | 0.258 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -122.5 | -168.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H10 V14 G31 | H10-G12 VanDerWaalsContact C-N 3.32Å; G12-V14 PolarHBondContact O-N 2.99Å; G12-G31 PolarHBondContact N-O 3.27Å |
| 13 | P | 89.9 | Confident | 84 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | trans | -56.5 | 138.3 | 179.1 | -23.9 | 33.5 | 0 | 0 | 0 | 112.1 | L15 G30 G31 | P13-L15 HydrophobicContact CB-CD2 3.96Å; P13-G30 CarbonylContact O-C 3.46Å; P13-G30 WeakPolarHBondContact O-CA 3.46Å; P13-G31 PolarHBondContact O-N 2.75Å | ||
| 14 | V | 93.1 | Very high | 85.6 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 121.3 | 166.3 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | A9 H10 G12 | A9-V14 HydrophobicContact CB-CG2 4.25Å; H10-V14 HydrophobicContact CB-CG2 4.4Å; G12-V14 PolarHBondContact O-N 2.99Å |
| 15 | L | 93.9 | Very high | 87 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 12% | 0.12 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -23.8 | -172.1 | -60 | -177.6 | 0 | 0 | 0 | 112.9 | P13 W29 V102 P104 I105 | P13-L15 HydrophobicContact CB-CD2 3.96Å; L15-W29 WeakPolarHBondContact CA-O 3.33Å; L15-W29 PolarHBondContact N-O 3.18Å; L15-V102 HydrophobicContact CD1-CG1 3.78Å; L15-V102 HydrophobicContact CD2-CB 4.28Å; L15-V102 HydrophobicContact CD2-CG1 3.44Å; L15-V102 VanDerWaalsContact CD2-CG1 3.44Å; L15-V102 HydrophobicContact CG-CG1 4.26Å; L15-P104 CarbonylContact O-C 3.48Å; L15-P104 WeakPolarHBondContact O-CA 3.12Å; L15-P104 WeakPolarHBondContact O-CB 3.26Å; L15-I105 HydrophobicContact CB-CG1 4.49Å; L15-I105 PolarHBondContact O-N 2.74Å |
| 16 | G | 95.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 150 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S28 W29 | G16-S28 WeakPolarHBondContact O-CA 3.33Å; G16-W29 PolarHBondContact N-O 2.84Å; G16-W29 PolarHBondContact O-N 3.35Å |
| 17 | L | 95.6 | Very high | 89.6 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 56% | 0.56 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.9 | -179.7 | -162.8 | 77.5 | 0 | 0 | 0 | 109.6 | L26 I27 | L17-L26 HydrophobicContact CD1-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD2 3.95Å; L17-L26 HydrophobicContact CD1-CG 3.87Å; L17-L26 HydrophobicContact CD2-CD1 4.1Å; L17-L26 HydrophobicContact CD2-CD2 4.47Å; L17-L26 HydrophobicContact CG-CD1 3.81Å; L17-L26 HydrophobicContact CG-CD2 4.49Å; L17-L26 HydrophobicContact CG-CG 4.26Å; L17-I27 WeakPolarHBondContact CA-O 3.31Å; L17-I27 WeakPolarHBondContact CD1-O 3.48Å |
| 18 | K | 96.1 | Very high | 90.6 | Very high | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 141.8 | 179.6 | -175 | 65.4 | -161.4 | -129.2 | 0 | 109.8 | I27 L107 D108 T109 | K18-I27 PolarHBondContact N-O 2.67Å; K18-I27 WeakPolarHBondContact O-CA 3.3Å; K18-I27 WeakPolarHBondContact O-CB 3.32Å; K18-I27 WeakPolarHBondContact O-CD1 3.29Å; K18-I27 PolarHBondContact O-N 3.48Å; K18-L107 HydrophobicContact CB-CD1 3.38Å; K18-L107 HydrophobicContact CB-CG 4.11Å; K18-L107 HydrophobicContact CG-CD1 4.07Å; K18-D108 WeakPolarHBondContact CE-OD1 3.38Å; K18-D108 IonicContact NZ-OD1 2.69Å; K18-D108 PolarHBondContact NZ-OD1 3.3Å; K18-T109 HydrophobicContact CG-CG2 4.3Å |
| 19 | F | 93.1 | Very high | 91.1 | Very high | 124 Ų | 124 | 44.3 Ų | 44.3 | 54% | 0.544 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 149.4 | 166.7 | -81.5 | -78 | 0 | 0 | 0 | 110.7 | H25 L26 T109 | F19-H25 CarbonylContact C-O 3.58Å; F19-H25 WeakPolarHBondContact CA-O 3.34Å; F19-H25 WeakPolarHBondContact CD1-O 3.44Å; F19-L26 HydrophobicContact CD1-CD1 4.25Å; F19-L26 HydrophobicContact CD2-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD1 4.23Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.35Å; F19-L26 HydrophobicContact CZ-CD1 4.31Å; F19-T109 PolarHBondContact O-OG1 2.81Å |
| 20 | S | 91.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | trans | -55.7 | 156.2 | 162.7 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | D22 G23 L24 H25 I27 | S20-D22 VanDerWaalsContact CB-OD1 3.29Å; S20-D22 WeakPolarHBondContact CB-OD1 3.34Å; S20-D22 PolarHBondContact O-N 3.04Å; S20-D22 VanDerWaalsContact O-N 3.15Å; S20-D22 PolarHBondContact OG-OD1 3.25Å; S20-G23 WeakPolarHBondContact O-CA 3.15Å; S20-G23 PolarHBondContact O-N 2.88Å; S20-L24 PolarHBondContact OG-N 3.22Å; S20-H25 PolarHBondContact N-O 2.92Å; S20-H25 PolarHBondContact OG-N 3.03Å; S20-H25 PolarHBondContact OG-O 3.45Å; S20-I27 VanDerWaalsContact N-CD1 3.27Å | ||
| 21 | S | 87.2 | Confident | 91.5 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.1 | -176.9 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | T109 T110 | S21-T109 PolarHBondContact OG-O 2.64Å; S21-T109 PolarHBondContact OG-OG1 2.84Å; S21-T110 WeakPolarHBondContact OG-CA 3.26Å |
| 22 | D | 84.8 | Confident | 91.3 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5 | 172.5 | 55.4 | 23.6 | 0 | 0 | 0 | 114.6 | S20 L24 A120 S121 | S20-D22 VanDerWaalsContact CB-OD1 3.29Å; S20-D22 WeakPolarHBondContact CB-OD1 3.34Å; S20-D22 PolarHBondContact O-N 3.04Å; S20-D22 VanDerWaalsContact O-N 3.15Å; S20-D22 PolarHBondContact OG-OD1 3.25Å; D22-L24 HydrophobicContact CB-CD1 4.47Å; D22-L24 HydrophobicContact CB-CG 4.38Å; D22-L24 PolarHBondContact O-N 2.94Å; D22-L24 PolarHBondContact OD1-N 3.42Å; D22-L24 VanDerWaalsContact OD1-N 3.09Å; D22-A120 WeakPolarHBondContact OD2-CB 3.47Å; D22-S121 PolarHBondContact OD2-N 2.74Å |
| 23 | G | 88.3 | Confident | 90.9 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 73.7 | 3.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S20 | S20-G23 WeakPolarHBondContact O-CA 3.15Å; S20-G23 PolarHBondContact O-N 2.88Å |
| 24 | L | 85.9 | Confident | 90.4 | Very high | 89 Ų | 89 | 39 Ų | 39 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -83.9 | -19 | -174.8 | -64.3 | 177.4 | 0 | 0 | 0 | 113.8 | S20 D22 P46 A120 | S20-L24 PolarHBondContact OG-N 3.22Å; D22-L24 HydrophobicContact CB-CD1 4.47Å; D22-L24 HydrophobicContact CB-CG 4.38Å; D22-L24 PolarHBondContact O-N 2.94Å; D22-L24 PolarHBondContact OD1-N 3.42Å; D22-L24 VanDerWaalsContact OD1-N 3.09Å; L24-P46 VanDerWaalsContact O-CD 3.3Å; L24-P46 WeakPolarHBondContact O-CD 3.43Å; L24-A120 HydrophobicContact CB-CB 4.09Å; L24-A120 HydrophobicContact CD1-CB 3.62Å; L24-A120 HydrophobicContact CG-CB 4.48Å |
| 25 | H | 87.8 | Confident | 89.8 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | trans | -130.6 | 150.3 | -179.4 | -57.5 | -75 | 0 | 0 | 0 | 111.3 | F19 S20 L43 W44 T45 L117 A120 | F19-H25 CarbonylContact C-O 3.58Å; F19-H25 WeakPolarHBondContact CA-O 3.34Å; F19-H25 WeakPolarHBondContact CD1-O 3.44Å; S20-H25 PolarHBondContact N-O 2.92Å; S20-H25 PolarHBondContact OG-N 3.03Å; S20-H25 PolarHBondContact OG-O 3.45Å; H25-L43 HydrophobicContact CB-CD1 3.4Å; H25-L43 VanDerWaalsContact CB-CD1 3.4Å; H25-L43 HydrophobicContact CB-CD2 4.49Å; H25-L43 HydrophobicContact CB-CG 3.91Å; H25-W44 VanDerWaalsContact CA-O 3.32Å; H25-W44 WeakPolarHBondContact CA-O 3.3Å; H25-T45 PolarHBondContact CE1-OG1 3.29Å; H25-T45 WeakPolarHBondContact ND1-CB 3.34Å; H25-L117 PolarHBondContact CE1-O 3.32Å; H25-L117 PolarHBondContact NE2-O 3.17Å; H25-A120 WeakPolarHBondContact NE2-CB 3.42Å | ||
| 26 | L | 91.7 | Very high | 89 | Confident | 31 Ų | 31 | 44.9 Ų | 44.9 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.1 | 169.4 | -173.4 | 67.4 | 0 | 0 | 0 | 108.9 | L17 F19 L43 W44 L60 | L17-L26 HydrophobicContact CD1-CD1 4.01Å; L17-L26 HydrophobicContact CD1-CD2 3.95Å; L17-L26 HydrophobicContact CD1-CG 3.87Å; L17-L26 HydrophobicContact CD2-CD1 4.1Å; L17-L26 HydrophobicContact CD2-CD2 4.47Å; L17-L26 HydrophobicContact CG-CD1 3.81Å; L17-L26 HydrophobicContact CG-CD2 4.49Å; L17-L26 HydrophobicContact CG-CG 4.26Å; F19-L26 HydrophobicContact CD1-CD1 4.25Å; F19-L26 HydrophobicContact CD2-CD1 4.44Å; F19-L26 HydrophobicContact CE1-CD1 4.23Å; F19-L26 HydrophobicContact CE2-CD1 4.42Å; F19-L26 HydrophobicContact CG-CD1 4.35Å; F19-L26 HydrophobicContact CZ-CD1 4.31Å; L26-L43 CarbonylContact O-C 3.51Å; L26-L43 WeakPolarHBondContact O-CA 3.32Å; L26-W44 HydrophobicContact CB-CB 4.09Å; L26-W44 HydrophobicContact CB-CG 4.46Å; L26-W44 PolarHBondContact N-O 3.25Å; L26-W44 VanDerWaalsContact O-CD1 3.25Å; L26-W44 PolarHBondContact O-N 2.73Å; L26-L60 HydrophobicContact CD2-CD1 4.28Å |
| 27 | I | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.6 | 175 | -62.9 | 81.3 | 0 | 0 | 0 | 107.6 | L17 K18 S20 L41 R42 L43 L107 T109 L123 I125 | L17-I27 WeakPolarHBondContact CA-O 3.31Å; L17-I27 WeakPolarHBondContact CD1-O 3.48Å; K18-I27 PolarHBondContact N-O 2.67Å; K18-I27 WeakPolarHBondContact O-CA 3.3Å; K18-I27 WeakPolarHBondContact O-CB 3.32Å; K18-I27 WeakPolarHBondContact O-CD1 3.29Å; K18-I27 PolarHBondContact O-N 3.48Å; S20-I27 VanDerWaalsContact N-CD1 3.27Å; I27-L41 HydrophobicContact CG2-CD1 3.51Å; I27-R42 CarbonylContact C-O 3.58Å; I27-R42 WeakPolarHBondContact CA-O 3.34Å; I27-L43 HydrophobicContact CD1-CD1 4.07Å; I27-L43 HydrophobicContact CG1-CD1 3.93Å; I27-L107 HydrophobicContact CG2-CD1 4.22Å; I27-T109 HydrophobicContact CD1-CG2 4.02Å; I27-T109 HydrophobicContact CG1-CG2 4.22Å; I27-L123 HydrophobicContact CD1-CD1 4.34Å; I27-I125 HydrophobicContact CG1-CD1 4Å; I27-I125 HydrophobicContact CG1-CG1 4.39Å; I27-I125 HydrophobicContact CG2-CD1 4.22Å; I27-I125 HydrophobicContact CG2-CG2 3.97Å |
| 28 | S | 94.6 | Very high | 88 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.6 | 173.4 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | H10 G16 R42 W44 | H10-S28 WeakPolarHBondContact NE2-CB 3.31Å; H10-S28 PolarHBondContact NE2-OG 2.8Å; G16-S28 WeakPolarHBondContact O-CA 3.33Å; S28-R42 PolarHBondContact N-O 3.33Å; S28-R42 PolarHBondContact O-N 3.26Å; S28-W44 PolarHBondContact OG-NE1 3.43Å |
| 29 | W | 95 | Very high | 87.7 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.1 | 173.5 | 175.4 | -113.7 | 0 | 0 | 0 | 108.8 | L15 G16 A39 S40 L41 I68 L107 V127 V129 L134 | L15-W29 WeakPolarHBondContact CA-O 3.33Å; L15-W29 PolarHBondContact N-O 3.18Å; G16-W29 PolarHBondContact N-O 2.84Å; G16-W29 PolarHBondContact O-N 3.35Å; W29-A39 HydrophobicContact CD2-CB 4.26Å; W29-A39 HydrophobicContact CE3-CB 4.43Å; W29-A39 HydrophobicContact CH2-CB 3.52Å; W29-A39 HydrophobicContact CZ2-CB 3.29Å; W29-A39 HydrophobicContact CZ3-CB 4.09Å; W29-S40 VanDerWaalsContact CE3-C 3.46Å; W29-L41 HydrophobicContact CE3-CB 3.81Å; W29-L41 HydrophobicContact CE3-CD1 4.32Å; W29-L41 HydrophobicContact CZ3-CB 3.99Å; W29-I68 HydrophobicContact CH2-CB 4.06Å; W29-I68 HydrophobicContact CH2-CD1 3.87Å; W29-I68 HydrophobicContact CH2-CG1 4.39Å; W29-I68 HydrophobicContact CH2-CG2 4.5Å; W29-I68 HydrophobicContact CZ3-CD1 3.89Å; W29-L107 HydrophobicContact CB-CD2 3.83Å; W29-V127 HydrophobicContact CB-CG1 4.14Å; W29-V127 HydrophobicContact CD2-CG1 3.62Å; W29-V127 HydrophobicContact CE3-CG1 4.17Å; W29-V127 HydrophobicContact CG-CG1 3.58Å; W29-V127 HydrophobicContact CZ2-CG1 4.45Å; W29-V129 HydrophobicContact CH2-CG2 4.12Å; W29-V129 HydrophobicContact CZ2-CG1 4.47Å; W29-V129 HydrophobicContact CZ2-CG2 3.59Å; W29-L134 HydrophobicContact CH2-CD2 4.19Å; W29-L134 HydrophobicContact CZ3-CD2 3.98Å |
| 30 | G | 93.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.5 | 170.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H10 P13 S32 A39 S40 | H10-G30 PolarHBondContact CE1-N 2.84Å; H10-G30 PolarHBondContact ND1-O 2.91Å; P13-G30 CarbonylContact O-C 3.46Å; P13-G30 WeakPolarHBondContact O-CA 3.46Å; G30-S32 PolarHBondContact O-N 3.23Å; G30-A39 CarbonylContact O-C 3.46Å; G30-A39 WeakPolarHBondContact O-CA 3.22Å; G30-A39 WeakPolarHBondContact O-CB 3.35Å; G30-S40 PolarHBondContact N-O 3.44Å; G30-S40 PolarHBondContact O-N 2.87Å |
| 31 | G | 91.1 | Very high | 87.7 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 133.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | H10 T11 G12 P13 S38 | H10-G31 WeakPolarHBondContact CB-O 3.49Å; T11-G31 PolarHBondContact N-O 2.81Å; G12-G31 PolarHBondContact N-O 3.27Å; P13-G31 PolarHBondContact O-N 2.75Å; G31-S38 WeakPolarHBondContact CA-O 3.47Å |
| 32 | S | 85.6 | Confident | 88 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | trans | -88.6 | -6 | -178.7 | 83.3 | 0 | 0 | 0 | 0 | 113.9 | T11 G30 L34 S38 N67 | T11-S32 PolarHBondContact OG1-O 2.95Å; G30-S32 PolarHBondContact O-N 3.23Å; S32-L34 PolarHBondContact O-N 2.98Å; S32-L34 VanDerWaalsContact O-N 3.08Å; S32-L34 WeakPolarHBondContact OG-CG 3.47Å; S32-S38 PolarHBondContact N-O 3.36Å; S32-S38 WeakPolarHBondContact OG-CB 3.36Å; S32-S38 PolarHBondContact OG-OG 3.11Å; S32-N67 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 33 | G | 81 | Confident | 88.2 | Confident | 54 Ų | 54 | 31 Ų | 31 | 56% | 0.557 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 70.4 | -5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T11 | T11-G33 WeakPolarHBondContact OG1-CA 3.48Å; T11-G33 PolarHBondContact OG1-N 3.21Å; T11-G33 VanDerWaalsContact OG1-N 3.13Å |
| 34 | L | 79.5 | Confident | 88.3 | Confident | 63 Ų | 63 | 29.3 Ų | 29.3 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -67 | -48.7 | 176.3 | -66.1 | -172.2 | 0 | 0 | 0 | 111.9 | S32 S38 N67 A80 F85 | S32-L34 PolarHBondContact O-N 2.98Å; S32-L34 VanDerWaalsContact O-N 3.08Å; S32-L34 WeakPolarHBondContact OG-CG 3.47Å; L34-S38 PolarHBondContact N-OG 3.31Å; L34-N67 HydrophobicContact CD1-CB 3.75Å; L34-N67 WeakPolarHBondContact CD1-ND2 3.42Å; L34-A80 HydrophobicContact CD1-CB 4.17Å; L34-F85 HydrophobicContact CD2-CE2 4Å; L34-F85 HydrophobicContact CD2-CZ 3.78Å |
| 35 | T | 80.5 | Confident | 88 | Confident | 69 Ų | 69 | 26.6 Ų | 26.6 | 42% | 0.423 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -143 | 162.6 | 174.7 | 75.3 | 0 | 0 | 0 | 0 | 109.8 | N37 S38 | T35-N37 PolarHBondContact O-N 2.76Å; T35-N37 VanDerWaalsContact O-N 3.09Å; T35-N37 PolarHBondContact OG1-N 3.45Å; T35-S38 PolarHBondContact N-OG 2.87Å; T35-S38 WeakPolarHBondContact O-CB 3.34Å; T35-S38 PolarHBondContact O-N 3.24Å; T35-S38 PolarHBondContact O-OG 3.04Å; T35-S38 WeakPolarHBondContact OG1-CB 3.41Å; T35-S38 PolarHBondContact OG1-N 2.99Å |
| 36 | V | 78.2 | Confident | 87.2 | Confident | 150 Ų | 150 | 29.2 Ų | 29.2 | 91% | 0.909 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.8 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 37 | N | 82.6 | Confident | 85.9 | Confident | 68 Ų | 68 | 27.9 Ų | 27.9 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 21 | 178.8 | -69.9 | -22 | 0 | 0 | 0 | 112 | T35 L70 | T35-N37 PolarHBondContact O-N 2.76Å; T35-N37 VanDerWaalsContact O-N 3.09Å; T35-N37 PolarHBondContact OG1-N 3.45Å; N37-L70 HydrophobicContact CB-CB 4.3Å; N37-L70 VanDerWaalsContact O-CA 3.32Å; N37-L70 WeakPolarHBondContact O-CA 3.41Å; N37-L70 WeakPolarHBondContact O-CB 3.39Å; N37-L70 WeakPolarHBondContact O-CG 3.34Å; N37-L70 PolarHBondContact O-N 2.85Å |
| 38 | S | 86.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.2 | -179 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | G31 S32 L34 T35 I68 | G31-S38 WeakPolarHBondContact CA-O 3.47Å; S32-S38 PolarHBondContact N-O 3.36Å; S32-S38 WeakPolarHBondContact OG-CB 3.36Å; S32-S38 PolarHBondContact OG-OG 3.11Å; L34-S38 PolarHBondContact N-OG 3.31Å; T35-S38 PolarHBondContact N-OG 2.87Å; T35-S38 WeakPolarHBondContact O-CB 3.34Å; T35-S38 PolarHBondContact O-N 3.24Å; T35-S38 PolarHBondContact O-OG 3.04Å; T35-S38 WeakPolarHBondContact OG1-CB 3.41Å; T35-S38 PolarHBondContact OG1-N 2.99Å; S38-I68 WeakPolarHBondContact CA-O 3.48Å |
| 39 | A | 90.5 | Very high | 82.3 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | W29 G30 I68 L70 | W29-A39 HydrophobicContact CD2-CB 4.26Å; W29-A39 HydrophobicContact CE3-CB 4.43Å; W29-A39 HydrophobicContact CH2-CB 3.52Å; W29-A39 HydrophobicContact CZ2-CB 3.29Å; W29-A39 HydrophobicContact CZ3-CB 4.09Å; G30-A39 CarbonylContact O-C 3.46Å; G30-A39 WeakPolarHBondContact O-CA 3.22Å; G30-A39 WeakPolarHBondContact O-CB 3.35Å; A39-I68 PolarHBondContact N-O 3.15Å; A39-I68 PolarHBondContact O-N 2.84Å; A39-L70 HydrophobicContact CB-CD1 4.35Å |
| 40 | S | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 141.4 | 178.5 | 63.9 | 0 | 0 | 0 | 0 | 109.3 | H10 W29 G30 R42 N67 | H10-S40 PolarHBondContact CE1-O 2.81Å; H10-S40 PolarHBondContact CE1-OG 2.73Å; H10-S40 PolarHBondContact ND1-OG 2.95Å; W29-S40 VanDerWaalsContact CE3-C 3.46Å; G30-S40 PolarHBondContact N-O 3.44Å; G30-S40 PolarHBondContact O-N 2.87Å; S40-R42 PolarHBondContact OG-NE 2.78Å; S40-N67 WeakPolarHBondContact CB-OD1 3.17Å |
| 41 | L | 92.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.7 | 167.1 | -177.8 | 64.2 | 0 | 0 | 0 | 108.4 | I27 W29 N64 F65 I125 V127 S136 | I27-L41 HydrophobicContact CG2-CD1 3.51Å; W29-L41 HydrophobicContact CE3-CB 3.81Å; W29-L41 HydrophobicContact CE3-CD1 4.32Å; W29-L41 HydrophobicContact CZ3-CB 3.99Å; L41-N64 PolarHBondContact O-OD1 2.86Å; L41-F65 HydrophobicContact CB-CB 4.19Å; L41-F65 HydrophobicContact CB-CD2 4.26Å; L41-F65 HydrophobicContact CB-CG 4.49Å; L41-F65 HydrophobicContact CD2-CD2 4.11Å; L41-F65 HydrophobicContact CD2-CG 4.19Å; L41-F65 HydrophobicContact CG-CD2 3.89Å; L41-F65 HydrophobicContact CG-CE2 4.44Å; L41-F65 HydrophobicContact CG-CG 4.35Å; L41-F65 WeakPolarHBondContact O-CD2 3.37Å; L41-F65 PolarHBondContact O-N 2.89Å; L41-F65 VanDerWaalsContact O-N 3.11Å; L41-I125 HydrophobicContact CD1-CG2 4.22Å; L41-I125 HydrophobicContact CD2-CB 4.39Å; L41-I125 HydrophobicContact CD2-CD1 4.01Å; L41-I125 HydrophobicContact CD2-CG2 4.1Å; L41-V127 HydrophobicContact CD1-CG2 4.06Å; L41-V127 HydrophobicContact CD2-CG2 4.46Å; L41-S136 WeakPolarHBondContact CD2-OG 3.17Å |
| 42 | R | 91.9 | Very high | 76.9 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 18% | 0.177 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | 179.9 | -64.4 | 175.5 | -179.8 | -116.3 | -0.2 | 110.3 | A9 I27 S28 S40 W44 V63 | A9-R42 WeakPolarHBondContact O-CD 3.43Å; A9-R42 PolarHBondContact O-NE 3.16Å; I27-R42 CarbonylContact C-O 3.58Å; I27-R42 WeakPolarHBondContact CA-O 3.34Å; S28-R42 PolarHBondContact N-O 3.33Å; S28-R42 PolarHBondContact O-N 3.26Å; S40-R42 PolarHBondContact OG-NE 2.78Å; R42-W44 HydrophobicContact CB-CZ2 4.1Å; R42-V63 WeakPolarHBondContact CA-O 3.49Å |
| 43 | L | 89.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 133.9 | 169 | 176.5 | 98.9 | 0 | 0 | 0 | 108.4 | H25 L26 I27 P62 V63 F65 L117 W118 L123 | H25-L43 HydrophobicContact CB-CD1 3.4Å; H25-L43 VanDerWaalsContact CB-CD1 3.4Å; H25-L43 HydrophobicContact CB-CD2 4.49Å; H25-L43 HydrophobicContact CB-CG 3.91Å; L26-L43 CarbonylContact O-C 3.51Å; L26-L43 WeakPolarHBondContact O-CA 3.32Å; I27-L43 HydrophobicContact CD1-CD1 4.07Å; I27-L43 HydrophobicContact CG1-CD1 3.93Å; L43-P62 CarbonylContact O-C 3.39Å; L43-P62 WeakPolarHBondContact O-CA 3.24Å; L43-V63 HydrophobicContact CB-CB 4.35Å; L43-V63 HydrophobicContact CD2-CB 4.47Å; L43-V63 PolarHBondContact N-O 2.78Å; L43-V63 PolarHBondContact O-N 3.29Å; L43-F65 HydrophobicContact CB-CE2 3.66Å; L43-F65 HydrophobicContact CB-CZ 4.2Å; L43-L117 HydrophobicContact CD1-CD2 3.99Å; L43-L117 HydrophobicContact CD2-CD1 4.12Å; L43-L117 HydrophobicContact CD2-CD2 3.59Å; L43-L117 HydrophobicContact CD2-CG 3.98Å; L43-L117 HydrophobicContact CG-CD2 4.44Å; L43-W118 HydrophobicContact CD2-CE3 4.29Å; L43-W118 HydrophobicContact CD2-CZ3 3.61Å; L43-L123 HydrophobicContact CD1-CD1 3.6Å |
| 44 | W | 89.8 | Confident | 73.9 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 2% | 0.023 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.1 | -178.1 | -49.5 | 81.7 | 0 | 0 | 0 | 109.3 | S7 A9 H25 L26 S28 R42 L60 R61 P62 | S7-W44 WeakPolarHBondContact OG-CZ3 3.21Å; A9-W44 VanDerWaalsContact CA-CZ2 3.49Å; A9-W44 HydrophobicContact CB-CH2 4.24Å; A9-W44 HydrophobicContact CB-CZ2 3.78Å; H25-W44 VanDerWaalsContact CA-O 3.32Å; H25-W44 WeakPolarHBondContact CA-O 3.3Å; L26-W44 HydrophobicContact CB-CB 4.09Å; L26-W44 HydrophobicContact CB-CG 4.46Å; L26-W44 PolarHBondContact N-O 3.25Å; L26-W44 VanDerWaalsContact O-CD1 3.25Å; L26-W44 PolarHBondContact O-N 2.73Å; S28-W44 PolarHBondContact OG-NE1 3.43Å; R42-W44 HydrophobicContact CB-CZ2 4.1Å; W44-L60 HydrophobicContact CB-CB 4.18Å; W44-L60 HydrophobicContact CB-CD1 4.43Å; W44-L60 HydrophobicContact CB-CD2 4.22Å; W44-L60 HydrophobicContact CE3-CB 3.97Å; W44-R61 WeakPolarHBondContact CA-O 3.36Å; W44-P62 HydrophobicContact CD2-CB 4.09Å; W44-P62 HydrophobicContact CE3-CB 3.71Å; W44-P62 HydrophobicContact CE3-CG 4.12Å; W44-P62 HydrophobicContact CH2-CB 3.62Å; W44-P62 HydrophobicContact CH2-CG 3.84Å; W44-P62 HydrophobicContact CZ2-CB 4Å; W44-P62 HydrophobicContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CD 3.5Å; W44-P62 HydrophobicContact CZ3-CG 3.54Å |
| 45 | T | 80 | Confident | 72.6 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.4 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | H25 R61 | H25-T45 PolarHBondContact CE1-OG1 3.29Å; H25-T45 WeakPolarHBondContact ND1-CB 3.34Å; T45-R61 PolarHBondContact N-O 3.09Å; T45-R61 PolarHBondContact O-N 3.26Å; T45-R61 VanDerWaalsContact O-N 3.16Å |
| 46 | P | 70.6 | Confident | 71.5 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | trans | -63.7 | 142.5 | 164.7 | 27.8 | -32 | 0 | 0 | 0 | 109.5 | L24 P58 | L24-P46 VanDerWaalsContact O-CD 3.3Å; L24-P46 WeakPolarHBondContact O-CD 3.43Å; P46-P58 HydrophobicContact CB-CB 4.22Å | ||
| 47 | G | 64.7 | Low | 70.6 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -65.9 | 147.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G49 D50 | G47-G49 PolarHBondContact O-N 3.29Å; G47-D50 WeakPolarHBondContact CA-OD2 3.35Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 WeakPolarHBondContact O-CB 3.4Å; G47-D50 PolarHBondContact O-N 2.71Å | ||
| 48 | P | 58.2 | Low | 69.5 | Low | 127 Ų | 127 | 60 Ų | 60 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -4.5 | -179.7 | 21.5 | -32.2 | 0 | 0 | 0 | 115.4 | ||
| 49 | G | 55.7 | Low | 68.4 | Low | 38 Ų | 38 | 66.7 Ų | 66.7 | 39% | 0.392 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G47 C51 | G47-G49 PolarHBondContact O-N 3.29Å; G49-C51 VanDerWaalsContact C-N 3.32Å |
| 50 | D | 56 | Low | 67.5 | Low | 40 Ų | 40 | 69.7 Ų | 69.7 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -80.6 | -15.8 | -177.1 | -66.9 | -14.5 | 0 | 0 | 0 | 112.5 | G47 P58 R59 | G47-D50 WeakPolarHBondContact CA-OD2 3.35Å; G47-D50 PolarHBondContact N-OD2 2.95Å; G47-D50 WeakPolarHBondContact O-CB 3.4Å; G47-D50 PolarHBondContact O-N 2.71Å; D50-P58 HydrophobicContact CB-CB 4.32Å; D50-R59 WeakPolarHBondContact OD2-CA 3.47Å; D50-R59 WeakPolarHBondContact OD2-CB 3.43Å; D50-R59 PolarHBondContact OD2-N 2.82Å |
| 51 | C | 54.8 | Low | 66.5 | Low | 107 Ų | 107 | 76.2 Ų | 76.2 | 72% | 0.723 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -85.9 | -17.2 | 176.9 | 33.4 | 0 | 0 | 0 | 0 | 114.3 | G49 | G49-C51 VanDerWaalsContact C-N 3.32Š|
| 52 | D | 54.8 | Low | 65.6 | Low | 140 Ų | 140 | 79.1 Ų | 79.1 | 75% | 0.749 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -106.7 | -2.6 | -168.8 | -70.2 | -19.1 | 0 | 0 | 0 | 114.6 | ||
| 53 | Q | 51.7 | Low | 64.7 | Low | 146 Ų | 146 | 78.7 Ų | 78.7 | 68% | 0.682 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -118.4 | 136.6 | 179 | -62.5 | -169 | 23.6 | 0 | 0 | 111.1 | S55 | Q53-S55 PolarHBondContact O-N 2.77Š|
| 54 | S | 51.5 | Low | 64 | Low | 124 Ų | 124 | 81.8 Ų | 81.8 | 87% | 0.867 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -57.8 | 8.1 | -176.5 | 55.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 55 | S | 53.2 | Low | 63.3 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | trans | -88.7 | 102.8 | 164.2 | 70.1 | 0 | 0 | 0 | 0 | 109.3 | Q53 I57 | Q53-S55 PolarHBondContact O-N 2.77Å; S55-I57 PolarHBondContact O-N 3.23Å | ||
| 56 | H | 56.5 | Low | 62.8 | Low | 189 Ų | 189 | 81.6 Ų | 81.6 | 88% | 0.875 | 46% | 0.456 | S | S | * | . | trans | -60.3 | 23.1 | -179.3 | -74.6 | -80.8 | 0 | 0 | 0 | 116.4 | ||||
| 57 | I | 59.2 | Low | 63.1 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | trans | -130.2 | 105.9 | -169.3 | -52.6 | -178.1 | 0 | 0 | 0 | 109 | I3 Q5 S55 | I3-I57 HydrophobicContact CG1-CD1 4.4Å; I3-I57 WeakPolarHBondContact O-CD1 3.29Å; Q5-I57 HydrophobicContact CB-CG2 4Å; S55-I57 PolarHBondContact O-N 3.23Å | ||
| 58 | P | 58.8 | Low | 63.7 | Low | 68 Ų | 68 | 80.8 Ų | 80.8 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | trans | -69.3 | 139.8 | -179.4 | 27.3 | -33.1 | 0 | 0 | 0 | 111.6 | P46 D50 L60 | P46-P58 HydrophobicContact CB-CB 4.22Å; D50-P58 HydrophobicContact CB-CB 4.32Å; P58-L60 PolarHBondContact O-N 2.95Å | ||
| 59 | R | 64.7 | Low | 64.6 | Low | 147 Ų | 147 | 76.1 Ų | 76.1 | 56% | 0.555 | 42% | 0.416 | S | S | * | . | trans | -87.5 | 88 | 172.3 | -69.8 | -173 | 170.4 | -174.7 | 2.6 | 109.5 | D50 R61 | D50-R59 WeakPolarHBondContact OD2-CA 3.47Å; D50-R59 WeakPolarHBondContact OD2-CB 3.43Å; D50-R59 PolarHBondContact OD2-N 2.82Å; R59-R61 PolarHBondContact O-N 2.55Å | ||
| 60 | L | 70.9 | Confident | 65.5 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 34% | 0.335 | 40% | 0.404 | S | S | . | . | trans | -62.3 | 124.4 | 176.4 | -65.1 | -179.4 | 0 | 0 | 0 | 111.6 | L26 W44 P58 | L26-L60 HydrophobicContact CD2-CD1 4.28Å; W44-L60 HydrophobicContact CB-CB 4.18Å; W44-L60 HydrophobicContact CB-CD1 4.43Å; W44-L60 HydrophobicContact CB-CD2 4.22Å; W44-L60 HydrophobicContact CE3-CB 3.97Å; P58-L60 PolarHBondContact O-N 2.95Å | ||
| 61 | R | 71 | Confident | 66 | Low | 138 Ų | 138 | 77 Ų | 77 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.4 | 172.9 | -64.5 | -169 | -179.2 | 96.2 | -3.2 | 110.5 | W44 T45 R59 | W44-R61 WeakPolarHBondContact CA-O 3.36Å; T45-R61 PolarHBondContact N-O 3.09Å; T45-R61 PolarHBondContact O-N 3.26Å; T45-R61 VanDerWaalsContact O-N 3.16Å; R59-R61 PolarHBondContact O-N 2.55Å |
| 62 | P | 74.4 | Confident | 65.8 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.1 | 179.9 | 29.1 | -28 | 0 | 0 | 0 | 111.9 | L43 W44 | L43-P62 CarbonylContact O-C 3.39Å; L43-P62 WeakPolarHBondContact O-CA 3.24Å; W44-P62 HydrophobicContact CD2-CB 4.09Å; W44-P62 HydrophobicContact CE3-CB 3.71Å; W44-P62 HydrophobicContact CE3-CG 4.12Å; W44-P62 HydrophobicContact CH2-CB 3.62Å; W44-P62 HydrophobicContact CH2-CG 3.84Å; W44-P62 HydrophobicContact CZ2-CB 4Å; W44-P62 HydrophobicContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CB 3.49Å; W44-P62 VanDerWaalsContact CZ3-CD 3.5Å; W44-P62 HydrophobicContact CZ3-CG 3.54Å |
| 63 | V | 72.9 | Confident | 65.7 | Low | 39 Ų | 39 | 79.2 Ų | 79.2 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.9 | 157.1 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | R42 L43 W118 | R42-V63 WeakPolarHBondContact CA-O 3.49Å; L43-V63 HydrophobicContact CB-CB 4.35Å; L43-V63 HydrophobicContact CD2-CB 4.47Å; L43-V63 PolarHBondContact N-O 2.78Å; L43-V63 PolarHBondContact O-N 3.29Å; V63-W118 HydrophobicContact CB-CH2 4.17Å; V63-W118 HydrophobicContact CB-CZ3 4.47Å; V63-W118 HydrophobicContact CG1-CH2 3.86Å; V63-W118 HydrophobicContact CG2-CH2 3.42Å; V63-W118 VanDerWaalsContact CG2-CH2 3.42Å; V63-W118 HydrophobicContact CG2-CZ2 4.15Å; V63-W118 HydrophobicContact CG2-CZ3 3.67Å |
| 64 | N | 75.4 | Confident | 65.4 | Low | 64 Ų | 64 | 74.2 Ų | 74.2 | 34% | 0.342 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125 | -178.3 | -170.4 | -1.8 | 0 | 0 | 0 | 109.7 | L41 G66 | L41-N64 PolarHBondContact O-OD1 2.86Å; N64-G66 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact OD1-N 3.44Å; N64-G66 PolarHBondContact OD1-O 3.23Å |
| 65 | F | 74.1 | Confident | 65.1 | Low | 21 Ų | 21 | 73.6 Ų | 73.6 | 9% | 0.092 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 6.5 | 175.3 | -68.7 | -95.5 | 0 | 0 | 0 | 113.1 | L41 L43 I125 A138 T143 | L41-F65 HydrophobicContact CB-CB 4.19Å; L41-F65 HydrophobicContact CB-CD2 4.26Å; L41-F65 HydrophobicContact CB-CG 4.49Å; L41-F65 HydrophobicContact CD2-CD2 4.11Å; L41-F65 HydrophobicContact CD2-CG 4.19Å; L41-F65 HydrophobicContact CG-CD2 3.89Å; L41-F65 HydrophobicContact CG-CE2 4.44Å; L41-F65 HydrophobicContact CG-CG 4.35Å; L41-F65 WeakPolarHBondContact O-CD2 3.37Å; L41-F65 PolarHBondContact O-N 2.89Å; L41-F65 VanDerWaalsContact O-N 3.11Å; L43-F65 HydrophobicContact CB-CE2 3.66Å; L43-F65 HydrophobicContact CB-CZ 4.2Å; F65-I125 HydrophobicContact CE2-CD1 4.41Å; F65-I125 HydrophobicContact CZ-CD1 4.17Å; F65-A138 HydrophobicContact CE1-CB 3.49Å; F65-A138 VanDerWaalsContact CE1-CB 3.49Å; F65-A138 HydrophobicContact CZ-CB 3.43Å; F65-A138 VanDerWaalsContact CZ-CB 3.43Å; F65-T143 HydrophobicContact CD1-CG2 3.88Å; F65-T143 HydrophobicContact CE1-CG2 3.57Å; F65-T143 HydrophobicContact CZ-CG2 4.46Å |
| 66 | G | 70.3 | Confident | 64.6 | Low | 13 Ų | 13 | 76.2 Ų | 76.2 | 13% | 0.134 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.3 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N64 | N64-G66 PolarHBondContact O-N 3.45Å; N64-G66 PolarHBondContact OD1-N 3.44Å; N64-G66 PolarHBondContact OD1-O 3.23Å |
| 67 | N | 75.7 | Confident | 64.3 | Low | 31 Ų | 31 | 70 Ų | 70 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130 | 176.4 | -62.5 | -36.4 | 0 | 0 | 0 | 108.6 | S32 L34 S40 F78 A80 | S32-N67 WeakPolarHBondContact CB-OD1 3.45Å; L34-N67 HydrophobicContact CD1-CB 3.75Å; L34-N67 WeakPolarHBondContact CD1-ND2 3.42Å; S40-N67 WeakPolarHBondContact CB-OD1 3.17Å; N67-F78 VanDerWaalsContact O-O 3.06Å; N67-A80 HydrophobicContact CB-CB 4.48Å |
| 68 | I | 77.2 | Confident | 63.8 | Low | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 116.9 | -179.4 | -60 | 180 | 0 | 0 | 0 | 107.9 | W29 S38 A39 L70 L77 L134 | W29-I68 HydrophobicContact CH2-CB 4.06Å; W29-I68 HydrophobicContact CH2-CD1 3.87Å; W29-I68 HydrophobicContact CH2-CG1 4.39Å; W29-I68 HydrophobicContact CH2-CG2 4.5Å; W29-I68 HydrophobicContact CZ3-CD1 3.89Å; S38-I68 WeakPolarHBondContact CA-O 3.48Å; A39-I68 PolarHBondContact N-O 3.15Å; A39-I68 PolarHBondContact O-N 2.84Å; I68-L70 HydrophobicContact CG2-CD2 3.78Å; I68-L70 PolarHBondContact O-N 3.01Å; I68-L77 HydrophobicContact CB-CD2 4.41Å; I68-L77 HydrophobicContact CD1-CD2 4.31Å; I68-L77 HydrophobicContact CG1-CD2 4.17Å; I68-L77 HydrophobicContact CG2-CD2 3.57Å; I68-L134 HydrophobicContact CD1-CD1 3.71Å; I68-L134 HydrophobicContact CD1-CD2 3.26Å; I68-L134 HydrophobicContact CD1-CG 4.11Å |
| 69 | V | 78 | Confident | 63 | Low | 30 Ų | 30 | 74.1 Ų | 74.1 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 110.3 | 174.8 | -176 | 0 | 0 | 0 | 0 | 109 | N71 | V69-N71 HydrophobicContact CG1-CB 4.37Å; V69-N71 WeakPolarHBondContact CG1-OD1 3.49Å; V69-N71 PolarHBondContact O-N 2.76Å |
| 70 | L | 75.3 | Confident | 61.9 | Low | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | trans | -81.4 | 55.5 | 179.3 | -47.1 | -179.7 | 0 | 0 | 0 | 110.6 | N37 A39 I68 V129 K130 | N37-L70 HydrophobicContact CB-CB 4.3Å; N37-L70 VanDerWaalsContact O-CA 3.32Å; N37-L70 WeakPolarHBondContact O-CA 3.41Å; N37-L70 WeakPolarHBondContact O-CB 3.39Å; N37-L70 WeakPolarHBondContact O-CG 3.34Å; N37-L70 PolarHBondContact O-N 2.85Å; A39-L70 HydrophobicContact CB-CD1 4.35Å; I68-L70 HydrophobicContact CG2-CD2 3.78Å; I68-L70 PolarHBondContact O-N 3.01Å; L70-V129 HydrophobicContact CD1-CG1 4.26Å; L70-V129 HydrophobicContact CD2-CG1 3.11Å; L70-V129 HydrophobicContact CG-CG1 4.27Å; L70-K130 VanDerWaalsContact O-CE 3.31Å; L70-K130 WeakPolarHBondContact O-CE 3.46Å; L70-K130 PolarHBondContact O-NZ 3.17Å | ||
| 71 | N | 65.8 | Low | 60.5 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | trans | -75.8 | 151.7 | 171.2 | -73.7 | -8.3 | 0 | 0 | 0 | 110.4 | V69 | V69-N71 HydrophobicContact CG1-CB 4.37Å; V69-N71 WeakPolarHBondContact CG1-OD1 3.49Å; V69-N71 PolarHBondContact O-N 2.76Å | ||
| 72 | S | 51.2 | Low | 58.8 | Low | 93 Ų | 93 | 76.7 Ų | 76.7 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -70.6 | 134.9 | 175.3 | -43.7 | 0 | 0 | 0 | 0 | 108.4 | S74 | S72-S74 PolarHBondContact O-N 3.43Š|
| 73 | E | 51.2 | Low | 57.1 | Low | 201 Ų | 201 | 80 Ų | 80 | 94% | 0.939 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 77.8 | -7.5 | 166.6 | -51.9 | -174.1 | 171 | 0 | 0 | 119.7 | ||
| 74 | S | 45.6 | Very low | 55.1 | Low | 41 Ų | 41 | 84.7 Ų | 84.7 | 29% | 0.287 | 44% | 0.44 | S | S | . | . | trans | -106.5 | 126.2 | 171.6 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | S72 Q76 R132 | S72-S74 PolarHBondContact O-N 3.43Å; S74-Q76 PolarHBondContact O-N 2.89Å; S74-R132 PolarHBondContact O-NH1 3.24Å; S74-R132 VanDerWaalsContact O-NH1 3.17Å | ||
| 75 | D | 44.9 | Very low | 53.3 | Low | 111 Ų | 111 | 88.3 Ų | 88.3 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | trans | -75.2 | 5 | 169.3 | -73.3 | -33.9 | 0 | 0 | 0 | 113.6 | L77 R132 | D75-L77 PolarHBondContact O-N 2.85Å; D75-R132 IonicContact OD1-CZ 3.92Å; D75-R132 IonicContact OD1-NH1 2.75Å; D75-R132 PolarHBondContact OD1-NH1 2.9Å | ||
| 76 | Q | 44.1 | Very low | 51.4 | Low | 126 Ų | 126 | 93.7 Ų | 93.7 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | trans | -78.8 | 109.9 | 179.1 | -62.4 | -167.7 | 21.6 | 0 | 0 | 111.2 | S74 F78 | S74-Q76 PolarHBondContact O-N 2.89Å; Q76-F78 HydrophobicContact CB-CE2 4.02Å; Q76-F78 HydrophobicContact CB-CZ 4.04Å; Q76-F78 PolarHBondContact O-N 3.41Å | ||
| 77 | L | 49.8 | Very low | 49.8 | Very low | 58 Ų | 58 | 98.4 Ų | 98.4 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | trans | -74.7 | 110.2 | 163.6 | -67.2 | 170.6 | 0 | 0 | 0 | 108.1 | I68 D75 D79 T145 | I68-L77 HydrophobicContact CB-CD2 4.41Å; I68-L77 HydrophobicContact CD1-CD2 4.31Å; I68-L77 HydrophobicContact CG1-CD2 4.17Å; I68-L77 HydrophobicContact CG2-CD2 3.57Å; D75-L77 PolarHBondContact O-N 2.85Å; L77-D79 PolarHBondContact O-N 3.24Å; L77-T145 WeakPolarHBondContact CD1-OG1 3.34Å | ||
| 78 | F | 48 | Very low | 47.9 | Very low | 93 Ų | 93 | 102.1 Ų | 102.1 | 41% | 0.408 | 55% | 0.547 | S | S | . | . | trans | -86 | 108.2 | 174.2 | -69.4 | -75.9 | 0 | 0 | 0 | 110.1 | N67 Q76 A80 | N67-F78 VanDerWaalsContact O-O 3.06Å; Q76-F78 HydrophobicContact CB-CE2 4.02Å; Q76-F78 HydrophobicContact CB-CZ 4.04Å; Q76-F78 PolarHBondContact O-N 3.41Å; F78-A80 PolarHBondContact O-N 3.2Å | ||
| 79 | D | 42.1 | Very low | 45.9 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | trans | -73.7 | 95.7 | 172.7 | -144.9 | -1 | 0 | 0 | 0 | 109 | L77 R81 | L77-D79 PolarHBondContact O-N 3.24Å; D79-R81 PolarHBondContact O-N 3.19Å | ||
| 80 | A | 42.6 | Very low | 44.1 | Very low | 30 Ų | 30 | 113.2 Ų | 113.2 | 25% | 0.248 | 61% | 0.614 | C | S | . | * | G | 310 helix | trans | -72.6 | 21.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L34 N67 F78 N82 | L34-A80 HydrophobicContact CD1-CB 4.17Å; N67-A80 HydrophobicContact CB-CB 4.48Å; F78-A80 PolarHBondContact O-N 3.2Å; A80-N82 PolarHBondContact O-N 3.34Å |
| 81 | R | 40.9 | Very low | 42.3 | Very low | 218 Ų | 218 | 118.3 Ų | 118.3 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -63.4 | -14.4 | -173.1 | -118.2 | 176.1 | -180 | 167.5 | 1.2 | 114.7 | D79 | D79-R81 PolarHBondContact O-N 3.19Š|
| 82 | N | 36.1 | Very low | 41 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -130.6 | 17.1 | -172 | -78.3 | -10.9 | 0 | 0 | 0 | 116.8 | A80 | A80-N82 PolarHBondContact O-N 3.34Š|
| 83 | Q | 37.1 | Very low | 40.6 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 61% | 0.607 | 68% | 0.68 | S | S | * | * | trans | -94.7 | 109.6 | 177.9 | -65.9 | -165.3 | 13.8 | 0 | 0 | 112.6 | ||||
| 84 | T | 31 | Very low | 39.7 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 85% | 0.847 | 66% | 0.664 | S | S | * | * | trans | -75.2 | 117.6 | 165.9 | -39.4 | 0 | 0 | 0 | 0 | 108.7 | T86 | T84-T86 PolarHBondContact O-N 3.5Š| ||
| 85 | F | 39.3 | Very low | 39.3 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 61% | 0.614 | 69% | 0.693 | S | S | * | * | trans | -80.4 | 119.9 | -178 | -67.1 | -81.2 | 0 | 0 | 0 | 111.4 | L34 | L34-F85 HydrophobicContact CD2-CE2 4Å; L34-F85 HydrophobicContact CD2-CZ 3.78Å | ||
| 86 | T | 32.9 | Very low | 38.9 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -92.7 | 109.2 | 157.3 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | T84 S88 | T84-T86 PolarHBondContact O-N 3.5Å; T86-S88 PolarHBondContact O-N 2.73Å | ||
| 87 | S | 36.6 | Very low | 38.6 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -73.7 | 102.7 | 173.6 | 54 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 88 | S | 36.6 | Very low | 38 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | -91.4 | 108.3 | 161.6 | 54.4 | 0 | 0 | 0 | 0 | 109.3 | T86 S90 | T86-S88 PolarHBondContact O-N 2.73Å; S88-S90 PolarHBondContact O-N 3.39Å | ||
| 89 | N | 35.7 | Very low | 37.5 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -65 | 112.1 | 169.7 | -78 | -19.3 | 0 | 0 | 0 | 109.9 | ||||
| 90 | S | 39.9 | Very low | 38 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -109 | 103.3 | 161.1 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | S88 G92 | S88-S90 PolarHBondContact O-N 3.39Å; S90-G92 PolarHBondContact O-N 3.22Å | ||
| 91 | S | 37.2 | Very low | 39 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 92% | 0.923 | 78% | 0.781 | S | S | * | * | trans | -69.4 | 99.6 | 166.4 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 92 | G | 39.2 | Very low | 40.6 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -119.4 | 116.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | S90 | S90-G92 PolarHBondContact O-N 3.22Š| ||
| 93 | S | 41.8 | Very low | 43 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | trans | -57 | 138.3 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 94 | G | 32.3 | Very low | 45.6 | Very low | 59 Ų | 59 | 119.5 Ų | 119.5 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | 62.2 | 87.8 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 95 | N | 38 | Very low | 48.7 | Very low | 168 Ų | 168 | 113.8 Ų | 113.8 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | trans | -168.1 | 121.2 | 131.2 | -92.9 | -24.6 | 0 | 0 | 0 | 108.2 | S97 | N95-S97 PolarHBondContact O-N 3.18Š| ||
| 96 | Q | 36.1 | Very low | 51.5 | Low | 200 Ų | 200 | 113.6 Ų | 113.6 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | trans | -62.7 | 100.5 | 176.1 | -65.4 | 179 | 27.6 | 0 | 0 | 108.3 | ||||
| 97 | S | 36.5 | Very low | 54.5 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | trans | -58 | 137.9 | 168.7 | 55.3 | 0 | 0 | 0 | 0 | 108.6 | N95 Q99 | N95-S97 PolarHBondContact O-N 3.18Å; S97-Q99 PolarHBondContact O-N 2.91Å; S97-Q99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | P | 38.4 | Very low | 57.4 | Low | 121 Ų | 121 | 102.6 Ų | 102.6 | 79% | 0.786 | 63% | 0.63 | S | S | * | * | trans | -54.8 | 125.7 | 174.1 | 23.7 | -31.3 | 0 | 0 | 0 | 107.5 | S100 | P98-S100 PolarHBondContact O-N 3.29Š| ||
| 99 | Q | 38.1 | Very low | 60.1 | Low | 194 Ų | 194 | 97.6 Ų | 97.6 | 91% | 0.907 | 60% | 0.595 | S | S | * | * | trans | -57.7 | 91.2 | 170.6 | -84.5 | -179 | -29.8 | 0 | 0 | 107.3 | S97 S101 | S97-Q99 PolarHBondContact O-N 2.91Å; S97-Q99 VanDerWaalsContact O-N 3.1Å; Q99-S101 PolarHBondContact O-N 3.01Å | ||
| 100 | S | 52.4 | Low | 62.8 | Low | 103 Ų | 103 | 90.4 Ų | 90.4 | 72% | 0.72 | 56% | 0.557 | S | S | * | * | trans | -61.3 | 105.5 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 105.8 | P98 V102 | P98-S100 PolarHBondContact O-N 3.29Å; S100-V102 PolarHBondContact O-N 2.98Å | ||
| 101 | S | 62.3 | Low | 65.2 | Low | 86 Ų | 86 | 89 Ų | 89 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | trans | -64.7 | 105.8 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | Q99 L103 | Q99-S101 PolarHBondContact O-N 3.01Å; S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3.48Å | ||
| 102 | V | 76.1 | Confident | 67.4 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | trans | -74.2 | 92.3 | 177.6 | -167.5 | 0 | 0 | 0 | 0 | 107.5 | L15 S100 | L15-V102 HydrophobicContact CD1-CG1 3.78Å; L15-V102 HydrophobicContact CD2-CB 4.28Å; L15-V102 HydrophobicContact CD2-CG1 3.44Å; L15-V102 VanDerWaalsContact CD2-CG1 3.44Å; L15-V102 HydrophobicContact CG-CG1 4.26Å; S100-V102 PolarHBondContact O-N 2.98Å | ||
| 103 | L | 85.5 | Confident | 69.1 | Low | 72 Ų | 72 | 84.3 Ų | 84.3 | 38% | 0.377 | 50% | 0.497 | S | S | . | . | trans | -73.7 | 141.1 | 179.9 | -62.4 | 177.6 | 0 | 0 | 0 | 111.4 | S101 | S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3.48Å | ||
| 104 | P | 92.8 | Very high | 70.7 | Confident | 88 Ų | 88 | 84 Ų | 84 | 57% | 0.571 | 48% | 0.484 | S | S | * | . | trans | -54.7 | 156.5 | 169.6 | -24.6 | 33.8 | 0 | 0 | 0 | 112.9 | L15 | L15-P104 CarbonylContact O-C 3.48Å; L15-P104 WeakPolarHBondContact O-CA 3.12Å; L15-P104 WeakPolarHBondContact O-CB 3.26Å | ||
| 105 | I | 95.4 | Very high | 73 | Confident | 18 Ų | 18 | 83.7 Ų | 83.7 | 9% | 0.092 | 48% | 0.481 | C | S | . | . | trans | -125.1 | 150.1 | 177.9 | 57.7 | 99.2 | 0 | 0 | 0 | 109.6 | L15 L107 V127 P128 R156 | L15-I105 HydrophobicContact CB-CG1 4.49Å; L15-I105 PolarHBondContact O-N 2.74Å; I105-L107 HydrophobicContact CD1-CB 3.87Å; I105-L107 HydrophobicContact CD1-CD2 4.35Å; I105-V127 HydrophobicContact CD1-CG1 3.95Å; I105-P128 HydrophobicContact CB-CB 4.12Å; I105-P128 HydrophobicContact CD1-CB 4.24Å; I105-P128 HydrophobicContact CD1-CG 4.28Å; I105-P128 HydrophobicContact CG2-CB 4.27Å; I105-R156 WeakPolarHBondContact CA-O 3.46Å | ||
| 106 | R | 97.2 | Very high | 75.2 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | -95 | 111.2 | 170.6 | -175.3 | 172.5 | -174 | -109.7 | 3.8 | 109 | P128 R156 A157 C158 | R106-P128 WeakPolarHBondContact O-CG 3.47Å; R106-R156 PolarHBondContact N-O 3.26Å; R106-R156 VanDerWaalsContact N-O 3.11Å; R106-A157 HydrophobicContact CB-CB 3.74Å; R106-A157 HydrophobicContact CG-CB 4.5Å; R106-A157 CarbonylContact O-C 3.57Å; R106-A157 WeakPolarHBondContact O-CA 3.37Å; R106-C158 PolarHBondContact O-N 3.24Å |
| 107 | L | 97 | Very high | 77.4 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | trans | -96.8 | 161.4 | 173.3 | 73.7 | 87.6 | 0 | 0 | 0 | 110 | K18 I27 W29 I105 T109 I125 F126 V127 | K18-L107 HydrophobicContact CB-CD1 3.38Å; K18-L107 HydrophobicContact CB-CG 4.11Å; K18-L107 HydrophobicContact CG-CD1 4.07Å; I27-L107 HydrophobicContact CG2-CD1 4.22Å; W29-L107 HydrophobicContact CB-CD2 3.83Å; I105-L107 HydrophobicContact CD1-CB 3.87Å; I105-L107 HydrophobicContact CD1-CD2 4.35Å; L107-T109 HydrophobicContact CD1-CG2 4.42Å; L107-I125 HydrophobicContact CD1-CG2 4.42Å; L107-F126 WeakPolarHBondContact CA-O 3.44Å; L107-F126 VanDerWaalsContact CB-O 3.26Å; L107-F126 WeakPolarHBondContact CB-O 3.39Å; L107-V127 HydrophobicContact CB-CG2 4.47Å | ||
| 108 | D | 96.5 | Very high | 79.5 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.2 | 176.4 | -145.6 | 3.2 | 0 | 0 | 0 | 112.6 | K18 F126 V159 W160 | K18-D108 WeakPolarHBondContact CE-OD1 3.38Å; K18-D108 IonicContact NZ-OD1 2.69Å; K18-D108 PolarHBondContact NZ-OD1 3.3Å; D108-F126 PolarHBondContact N-O 3.13Å; D108-F126 VanDerWaalsContact N-O 3.13Å; D108-F126 PolarHBondContact O-N 3.31Å; D108-V159 VanDerWaalsContact OD2-CA 3.31Å; D108-V159 WeakPolarHBondContact OD2-CA 3.44Å; D108-V159 WeakPolarHBondContact OD2-CG2 3.32Å; D108-W160 HydrophobicContact CB-CB 4.48Å; D108-W160 PolarHBondContact OD2-N 3.31Å |
| 109 | T | 94.1 | Very high | 81.2 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.7 | -177.4 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | K18 F19 S21 I27 L107 C124 I125 | K18-T109 HydrophobicContact CG-CG2 4.3Å; F19-T109 PolarHBondContact O-OG1 2.81Å; S21-T109 PolarHBondContact OG-O 2.64Å; S21-T109 PolarHBondContact OG-OG1 2.84Å; I27-T109 HydrophobicContact CD1-CG2 4.02Å; I27-T109 HydrophobicContact CG1-CG2 4.22Å; L107-T109 HydrophobicContact CD1-CG2 4.42Å; T109-C124 CarbonylContact C-O 3.54Å; T109-C124 VanDerWaalsContact CA-O 3.24Å; T109-C124 WeakPolarHBondContact CA-O 3.26Å; T109-I125 HydrophobicContact CG2-CB 4.39Å; T109-I125 HydrophobicContact CG2-CG1 4.09Å; T109-I125 HydrophobicContact CG2-CG2 4.18Å |
| 110 | T | 93.1 | Very high | 83.3 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 174.1 | 165.3 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | S21 L123 C124 F126 W160 D162 | S21-T110 WeakPolarHBondContact OG-CA 3.26Å; T110-L123 WeakPolarHBondContact O-CA 3.5Å; T110-C124 HydrophobicContact CG2-CB 3.85Å; T110-C124 PolarHBondContact N-O 3.33Å; T110-C124 PolarHBondContact O-N 2.86Å; T110-F126 HydrophobicContact CG2-CE2 3.84Å; T110-F126 HydrophobicContact CG2-CZ 4Å; T110-W160 VanDerWaalsContact CB-CD1 3.42Å; T110-W160 VanDerWaalsContact CB-NE1 3.28Å; T110-W160 HydrophobicContact CG2-CD2 4.14Å; T110-W160 HydrophobicContact CG2-CG 4.4Å; T110-W160 HydrophobicContact CG2-CZ2 4.12Å; T110-W160 PolarHBondContact OG1-NE1 2.73Å; T110-D162 PolarHBondContact OG1-OD1 2.87Å |
| 111 | H | 89.3 | Confident | 84.9 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 39% | 0.389 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 137.1 | 171.7 | -59.4 | -65.3 | 0 | 0 | 0 | 110.2 | S121 S122 | H111-S121 WeakPolarHBondContact ND1-CB 3.4Å; H111-S122 CarbonylContact C-O 3.52Å; H111-S122 WeakPolarHBondContact CA-O 3.49Å |
| 112 | G | 83.4 | Confident | 86 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 158.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S122 | G112-S122 VanDerWaalsContact C-OG 3.26Å; G112-S122 VanDerWaalsContact CA-OG 3.26Å; G112-S122 WeakPolarHBondContact CA-OG 3.48Å; G112-S122 VanDerWaalsContact N-C 3.31Å; G112-S122 PolarHBondContact N-O 2.73Å; G112-S122 PolarHBondContact O-OG 2.78Å |
| 113 | S | 74.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 49.5 Ų | 49.5 | 57% | 0.573 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | -22.9 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 114 | I | 75.4 | Confident | 86.9 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 132.7 | -167.9 | -57.1 | 175.1 | 0 | 0 | 0 | 110.9 | S122 | I114-S122 WeakPolarHBondContact O-CB 3.32Å; I114-S122 PolarHBondContact O-OG 2.95Å |
| 115 | G | 80.5 | Confident | 87 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 55% | 0.546 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.8 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S122 | G115-S122 WeakPolarHBondContact O-CB 3.2Å; G115-S122 PolarHBondContact O-N 2.83Å; G115-S122 PolarHBondContact O-OG 2.81Å |
| 116 | D | 83.7 | Confident | 86.9 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 167.2 | 174.1 | 67.9 | 31 | 0 | 0 | 0 | 110.8 | A120 S139 K140 | D116-A120 CarbonylContact C-O 3.47Å; D116-A120 WeakPolarHBondContact CA-O 3.45Å; D116-S139 CarbonylContact O-C 3.47Å; D116-S139 WeakPolarHBondContact O-CA 3.32Å; D116-K140 WeakPolarHBondContact O-CB 3.16Å; D116-K140 PolarHBondContact O-N 3.29Å; D116-K140 WeakPolarHBondContact OD1-CB 3.5Å; D116-K140 VanDerWaalsContact OD1-CD 3.26Å; D116-K140 WeakPolarHBondContact OD1-CD 3.38Å |
| 117 | L | 82.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -133.5 | 74.4 | 176.9 | -167.2 | 67.8 | 0 | 0 | 0 | 109.4 | H25 L43 A120 S121 L123 A138 | H25-L117 PolarHBondContact CE1-O 3.32Å; H25-L117 PolarHBondContact NE2-O 3.17Å; L43-L117 HydrophobicContact CD1-CD2 3.99Å; L43-L117 HydrophobicContact CD2-CD1 4.12Å; L43-L117 HydrophobicContact CD2-CD2 3.59Å; L43-L117 HydrophobicContact CD2-CG 3.98Å; L43-L117 HydrophobicContact CG-CD2 4.44Å; L117-A120 HydrophobicContact CB-CB 4.36Å; L117-A120 PolarHBondContact N-O 2.97Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 2.75Å; L117-S121 WeakPolarHBondContact CB-O 3.47Å; L117-L123 HydrophobicContact CD2-CB 4.4Å; L117-L123 HydrophobicContact CD2-CD1 3.38Å; L117-L123 HydrophobicContact CD2-CG 3.71Å; L117-A138 HydrophobicContact CD1-CB 4.12Å; L117-A138 HydrophobicContact CD2-CB 4.31Å |
| 118 | W | 81 | Confident | 86.8 | Confident | 113 Ų | 113 | 35 Ų | 35 | 43% | 0.428 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 52.1 | 56.4 | -177.6 | -53.7 | -75.8 | 0 | 0 | 0 | 113.5 | L43 V63 | L43-W118 HydrophobicContact CD2-CE3 4.29Å; L43-W118 HydrophobicContact CD2-CZ3 3.61Å; V63-W118 HydrophobicContact CB-CH2 4.17Å; V63-W118 HydrophobicContact CB-CZ3 4.47Å; V63-W118 HydrophobicContact CG1-CH2 3.86Å; V63-W118 HydrophobicContact CG2-CH2 3.42Å; V63-W118 VanDerWaalsContact CG2-CH2 3.42Å; V63-W118 HydrophobicContact CG2-CZ2 4.15Å; V63-W118 HydrophobicContact CG2-CZ3 3.67Å |
| 119 | G | 74.6 | Confident | 86.6 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 77% | 0.773 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 87.6 | 2.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 120 | A | 82.4 | Confident | 86.4 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -114.6 | 169.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D22 L24 H25 D116 L117 | D22-A120 WeakPolarHBondContact OD2-CB 3.47Å; L24-A120 HydrophobicContact CB-CB 4.09Å; L24-A120 HydrophobicContact CD1-CB 3.62Å; L24-A120 HydrophobicContact CG-CB 4.48Å; H25-A120 WeakPolarHBondContact NE2-CB 3.42Å; D116-A120 CarbonylContact C-O 3.47Å; D116-A120 WeakPolarHBondContact CA-O 3.45Å; L117-A120 HydrophobicContact CB-CB 4.36Å; L117-A120 PolarHBondContact N-O 2.97Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 2.75Å |
| 121 | S | 84.2 | Confident | 86.3 | Confident | 57 Ų | 57 | 39.9 Ų | 39.9 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 149.1 | 169.9 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | D22 H111 L117 | D22-S121 PolarHBondContact OD2-N 2.74Å; H111-S121 WeakPolarHBondContact ND1-CB 3.4Å; L117-S121 WeakPolarHBondContact CB-O 3.47Å |
| 122 | S | 85.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 160.2 | 163.8 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | H111 G112 I114 G115 A138 | H111-S122 CarbonylContact C-O 3.52Å; H111-S122 WeakPolarHBondContact CA-O 3.49Å; G112-S122 VanDerWaalsContact C-OG 3.26Å; G112-S122 VanDerWaalsContact CA-OG 3.26Å; G112-S122 WeakPolarHBondContact CA-OG 3.48Å; G112-S122 VanDerWaalsContact N-C 3.31Å; G112-S122 PolarHBondContact N-O 2.73Å; G112-S122 PolarHBondContact O-OG 2.78Å; I114-S122 WeakPolarHBondContact O-CB 3.32Å; I114-S122 PolarHBondContact O-OG 2.95Å; G115-S122 WeakPolarHBondContact O-CB 3.2Å; G115-S122 PolarHBondContact O-N 2.83Å; G115-S122 PolarHBondContact O-OG 2.81Å; S122-A138 CarbonylContact C-O 3.52Å; S122-A138 VanDerWaalsContact CA-O 3.31Å; S122-A138 WeakPolarHBondContact CA-O 3.21Å; S122-A138 WeakPolarHBondContact CB-O 3.06Å |
| 123 | L | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.9 | -175 | -62.2 | 174.4 | 0 | 0 | 0 | 112 | I27 L43 T110 L117 I125 S137 A138 | I27-L123 HydrophobicContact CD1-CD1 4.34Å; L43-L123 HydrophobicContact CD1-CD1 3.6Å; T110-L123 WeakPolarHBondContact O-CA 3.5Å; L117-L123 HydrophobicContact CD2-CB 4.4Å; L117-L123 HydrophobicContact CD2-CD1 3.38Å; L117-L123 HydrophobicContact CD2-CG 3.71Å; L123-I125 HydrophobicContact CB-CG1 4.39Å; L123-S137 CarbonylContact O-C 3.43Å; L123-S137 WeakPolarHBondContact O-CA 3.31Å; L123-A138 HydrophobicContact CB-CB 4.31Å; L123-A138 PolarHBondContact N-O 3.11Å; L123-A138 PolarHBondContact O-N 3.37Å |
| 124 | C | 91.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.4 | 159.9 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | T109 T110 F126 S136 | T109-C124 CarbonylContact C-O 3.54Å; T109-C124 VanDerWaalsContact CA-O 3.24Å; T109-C124 WeakPolarHBondContact CA-O 3.26Å; T110-C124 HydrophobicContact CG2-CB 3.85Å; T110-C124 PolarHBondContact N-O 3.33Å; T110-C124 PolarHBondContact O-N 2.86Å; C124-F126 HydrophobicContact CB-CZ 4.37Å; C124-F126 VanDerWaalsContact SG-CE1 3.51Å; C124-F126 VanDerWaalsContact SG-CZ 3.59Å; C124-S136 CarbonylContact C-O 3.5Å; C124-S136 WeakPolarHBondContact CA-O 3.41Å |
| 125 | I | 93.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.3 | -172.6 | -54.6 | 167.5 | 0 | 0 | 0 | 108.3 | I27 L41 F65 L107 T109 L123 V127 I135 S136 | I27-I125 HydrophobicContact CG1-CD1 4Å; I27-I125 HydrophobicContact CG1-CG1 4.39Å; I27-I125 HydrophobicContact CG2-CD1 4.22Å; I27-I125 HydrophobicContact CG2-CG2 3.97Å; L41-I125 HydrophobicContact CD1-CG2 4.22Å; L41-I125 HydrophobicContact CD2-CB 4.39Å; L41-I125 HydrophobicContact CD2-CD1 4.01Å; L41-I125 HydrophobicContact CD2-CG2 4.1Å; F65-I125 HydrophobicContact CE2-CD1 4.41Å; F65-I125 HydrophobicContact CZ-CD1 4.17Å; L107-I125 HydrophobicContact CD1-CG2 4.42Å; T109-I125 HydrophobicContact CG2-CB 4.39Å; T109-I125 HydrophobicContact CG2-CG1 4.09Å; T109-I125 HydrophobicContact CG2-CG2 4.18Å; L123-I125 HydrophobicContact CB-CG1 4.39Å; I125-V127 HydrophobicContact CG2-CG2 3.76Å; I125-I135 CarbonylContact O-C 3.46Å; I125-I135 WeakPolarHBondContact O-CA 3.42Å; I125-S136 PolarHBondContact N-O 2.74Å; I125-S136 PolarHBondContact O-N 3.13Å |
| 126 | F | 95 | Very high | 89 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.5 | 179.2 | -50.6 | -67.2 | 0 | 0 | 0 | 109.7 | L107 D108 T110 C124 L133 L134 I135 C158 W160 L167 I181 | L107-F126 WeakPolarHBondContact CA-O 3.44Å; L107-F126 VanDerWaalsContact CB-O 3.26Å; L107-F126 WeakPolarHBondContact CB-O 3.39Å; D108-F126 PolarHBondContact N-O 3.13Å; D108-F126 VanDerWaalsContact N-O 3.13Å; D108-F126 PolarHBondContact O-N 3.31Å; T110-F126 HydrophobicContact CG2-CE2 3.84Å; T110-F126 HydrophobicContact CG2-CZ 4Å; C124-F126 HydrophobicContact CB-CZ 4.37Å; C124-F126 VanDerWaalsContact SG-CE1 3.51Å; C124-F126 VanDerWaalsContact SG-CZ 3.59Å; F126-L133 HydrophobicContact CB-CD1 4.33Å; F126-L134 WeakPolarHBondContact CA-O 3.38Å; F126-I135 HydrophobicContact CD1-CD1 4.5Å; F126-I135 HydrophobicContact CD1-CG1 4.13Å; F126-I135 HydrophobicContact CD1-CG2 4.13Å; F126-I135 HydrophobicContact CE1-CG2 3.97Å; F126-C158 PolarHBondContact O-SG 2.83Å; F126-W160 HydrophobicContact CD2-CB 4.41Å; F126-W160 HydrophobicContact CE2-CB 4.16Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 AromaticContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CG 4.16Å; F126-W160 HydrophobicContact CE2-CZ3 4.42Å; F126-W160 HydrophobicContact CZ-CD2 4.41Å; F126-W160 AromaticContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CZ3 4.15Å; F126-L167 HydrophobicContact CB-CD1 4.1Å; F126-L167 HydrophobicContact CB-CD2 4.27Å; F126-L167 HydrophobicContact CD1-CD1 4.37Å; F126-L167 HydrophobicContact CD1-CD2 4.06Å; F126-L167 HydrophobicContact CD2-CD1 3.62Å; F126-L167 HydrophobicContact CE2-CD1 4.08Å; F126-L167 HydrophobicContact CG-CD1 3.76Å; F126-L167 HydrophobicContact CG-CD2 4.1Å; F126-I181 HydrophobicContact CD1-CD1 3.94Å; F126-I181 HydrophobicContact CE1-CD1 3.23Å; F126-I181 HydrophobicContact CZ-CD1 3.6Å |
| 127 | V | 95.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117 | -176.1 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | W29 L41 I105 L107 I125 V129 L134 | W29-V127 HydrophobicContact CB-CG1 4.14Å; W29-V127 HydrophobicContact CD2-CG1 3.62Å; W29-V127 HydrophobicContact CE3-CG1 4.17Å; W29-V127 HydrophobicContact CG-CG1 3.58Å; W29-V127 HydrophobicContact CZ2-CG1 4.45Å; L41-V127 HydrophobicContact CD1-CG2 4.06Å; L41-V127 HydrophobicContact CD2-CG2 4.46Å; I105-V127 HydrophobicContact CD1-CG1 3.95Å; L107-V127 HydrophobicContact CB-CG2 4.47Å; I125-V127 HydrophobicContact CG2-CG2 3.76Å; V127-V129 HydrophobicContact CB-CG2 4.37Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 WeakPolarHBondContact O-CG2 3.47Å; V127-V129 PolarHBondContact O-N 2.69Å; V127-L134 HydrophobicContact CB-CB 4.16Å; V127-L134 HydrophobicContact CB-CD2 4.16Å; V127-L134 HydrophobicContact CG2-CD2 4.25Å; V127-L134 PolarHBondContact N-O 3.34Å; V127-L134 PolarHBondContact O-N 3.08Å |
| 128 | P | 95.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 121.9 | 165.6 | -32.1 | 37.7 | 0 | 0 | 0 | 112.6 | I105 R106 I155 C158 | I105-P128 HydrophobicContact CB-CB 4.12Å; I105-P128 HydrophobicContact CD1-CB 4.24Å; I105-P128 HydrophobicContact CD1-CG 4.28Å; I105-P128 HydrophobicContact CG2-CB 4.27Å; R106-P128 WeakPolarHBondContact O-CG 3.47Å; P128-I155 HydrophobicContact CB-CB 3.87Å; P128-I155 HydrophobicContact CB-CG2 3.74Å; P128-I155 HydrophobicContact CG-CG2 3.89Å; P128-C158 HydrophobicContact CG-CB 4.28Å |
| 129 | V | 91.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.018 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 99 | -176.8 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | W29 L70 V127 N131 R132 L134 I147 | W29-V129 HydrophobicContact CH2-CG2 4.12Å; W29-V129 HydrophobicContact CZ2-CG1 4.47Å; W29-V129 HydrophobicContact CZ2-CG2 3.59Å; L70-V129 HydrophobicContact CD1-CG1 4.26Å; L70-V129 HydrophobicContact CD2-CG1 3.11Å; L70-V129 HydrophobicContact CG-CG1 4.27Å; V127-V129 HydrophobicContact CB-CG2 4.37Å; V127-V129 HydrophobicContact CG1-CG2 4.03Å; V127-V129 WeakPolarHBondContact O-CG2 3.47Å; V127-V129 PolarHBondContact O-N 2.69Å; V129-N131 PolarHBondContact O-N 3.02Å; V129-R132 CarbonylContact C-O 3.54Å; V129-R132 WeakPolarHBondContact CA-O 3.31Å; V129-R132 PolarHBondContact N-O 3.28Å; V129-R132 CarbonylContact O-C 3.58Å; V129-R132 WeakPolarHBondContact O-CA 3.41Å; V129-R132 WeakPolarHBondContact O-CB 3.5Å; V129-R132 PolarHBondContact O-N 2.67Å; V129-L134 HydrophobicContact CG2-CB 3.81Å; V129-I147 HydrophobicContact CG1-CD1 4.39Å |
| 130 | K | 90.6 | Very high | 89.9 | Confident | 70 Ų | 70 | 18.4 Ų | 18.4 | 30% | 0.304 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -127.8 | -168.1 | -61.4 | -176.8 | 175.4 | 179 | 0 | 109.2 | L70 R132 K154 I155 | L70-K130 VanDerWaalsContact O-CE 3.31Å; L70-K130 WeakPolarHBondContact O-CE 3.46Å; L70-K130 PolarHBondContact O-NZ 3.17Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-K154 CarbonylContact O-C 3.53Å; K130-K154 VanDerWaalsContact O-CA 3.3Å; K130-K154 WeakPolarHBondContact O-CA 3.48Å; K130-I155 PolarHBondContact O-N 2.78Å |
| 131 | N | 92.2 | Very high | 89.8 | Confident | 55 Ų | 55 | 26.9 Ų | 26.9 | 29% | 0.294 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.8 | 176.6 | 71.1 | -42.1 | 0 | 0 | 0 | 113.6 | V129 R150 H151 S153 | V129-N131 PolarHBondContact O-N 3.02Å; N131-R150 PolarHBondContact O-N 2.85Å; N131-H151 WeakPolarHBondContact CB-O 3.37Å; N131-H151 PolarHBondContact ND2-O 2.84Å; N131-H151 PolarHBondContact O-N 2.86Å; N131-H151 VanDerWaalsContact O-N 3.12Å; N131-S153 VanDerWaalsContact CA-O 3.25Å; N131-S153 WeakPolarHBondContact CA-O 3.36Å; N131-S153 WeakPolarHBondContact CB-O 2.82Å |
| 132 | R | 92.2 | Very high | 89.7 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 7% | 0.072 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 160.7 | -179.3 | -56.3 | -169.6 | -70.8 | -170.2 | -5 | 110.7 | S74 D75 V129 K130 I147 I148 I155 | S74-R132 PolarHBondContact O-NH1 3.24Å; S74-R132 VanDerWaalsContact O-NH1 3.17Å; D75-R132 IonicContact OD1-CZ 3.92Å; D75-R132 IonicContact OD1-NH1 2.75Å; D75-R132 PolarHBondContact OD1-NH1 2.9Å; V129-R132 CarbonylContact C-O 3.54Å; V129-R132 WeakPolarHBondContact CA-O 3.31Å; V129-R132 PolarHBondContact N-O 3.28Å; V129-R132 CarbonylContact O-C 3.58Å; V129-R132 WeakPolarHBondContact O-CA 3.41Å; V129-R132 WeakPolarHBondContact O-CB 3.5Å; V129-R132 PolarHBondContact O-N 2.67Å; K130-R132 VanDerWaalsContact C-N 3.3Å; R132-I147 HydrophobicContact CB-CD1 4Å; R132-I147 HydrophobicContact CB-CG1 3.72Å; R132-I147 HydrophobicContact CG-CG1 4.45Å; R132-I147 VanDerWaalsContact NE-CD1 3.35Å; R132-I148 CarbonylContact C-O 3.49Å; R132-I148 WeakPolarHBondContact CA-O 3.25Å; R132-I148 WeakPolarHBondContact CB-O 3.3Å; R132-I155 VanDerWaalsContact C-CD1 3.49Å; R132-I155 VanDerWaalsContact O-CD1 3.31Å; R132-I155 WeakPolarHBondContact O-CD1 3.11Å |
| 133 | L | 92.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.1 | 172.7 | -174.1 | 76.8 | 0 | 0 | 0 | 108.6 | F126 I135 I147 I148 R150 I155 C158 L167 T169 | F126-L133 HydrophobicContact CB-CD1 4.33Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 3.99Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; L133-I147 WeakPolarHBondContact O-CA 3.38Å; L133-I148 HydrophobicContact CB-CG1 4Å; L133-I148 HydrophobicContact CD2-CD1 4.36Å; L133-I148 PolarHBondContact N-O 3.42Å; L133-I148 WeakPolarHBondContact O-CG1 3.41Å; L133-I148 PolarHBondContact O-N 2.78Å; L133-R150 HydrophobicContact CB-CG 4.05Å; L133-I155 HydrophobicContact CB-CD1 4.27Å; L133-C158 HydrophobicContact CD1-CB 4.35Å; L133-L167 HydrophobicContact CD1-CD2 4.3Å; L133-L167 HydrophobicContact CD2-CD2 3.25Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; L133-T169 HydrophobicContact CD1-CG2 4.4Å |
| 134 | L | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.8 | 166.6 | 170.6 | 74.1 | 0 | 0 | 0 | 108.5 | W29 I68 F126 V127 V129 T145 | W29-L134 HydrophobicContact CH2-CD2 4.19Å; W29-L134 HydrophobicContact CZ3-CD2 3.98Å; I68-L134 HydrophobicContact CD1-CD1 3.71Å; I68-L134 HydrophobicContact CD1-CD2 3.26Å; I68-L134 HydrophobicContact CD1-CG 4.11Å; F126-L134 WeakPolarHBondContact CA-O 3.38Å; V127-L134 HydrophobicContact CB-CB 4.16Å; V127-L134 HydrophobicContact CB-CD2 4.16Å; V127-L134 HydrophobicContact CG2-CD2 4.25Å; V127-L134 PolarHBondContact N-O 3.34Å; V127-L134 PolarHBondContact O-N 3.08Å; V129-L134 HydrophobicContact CG2-CB 3.81Å; L134-T145 HydrophobicContact CD1-CG2 4.41Å |
| 135 | I | 91.9 | Very high | 89 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.5 | 172.9 | -52.6 | -174.5 | 0 | 0 | 0 | 106.8 | I125 F126 L133 T145 K146 I148 L184 | I125-I135 CarbonylContact O-C 3.46Å; I125-I135 WeakPolarHBondContact O-CA 3.42Å; F126-I135 HydrophobicContact CD1-CD1 4.5Å; F126-I135 HydrophobicContact CD1-CG1 4.13Å; F126-I135 HydrophobicContact CD1-CG2 4.13Å; F126-I135 HydrophobicContact CE1-CG2 3.97Å; L133-I135 HydrophobicContact CD2-CD1 4.17Å; L133-I135 HydrophobicContact CD2-CG1 3.99Å; L133-I135 HydrophobicContact CG-CG1 4.28Å; I135-T145 CarbonylContact O-C 3.58Å; I135-T145 VanDerWaalsContact O-CA 3.31Å; I135-T145 WeakPolarHBondContact O-CA 3.44Å; I135-K146 PolarHBondContact N-O 2.92Å; I135-K146 PolarHBondContact O-N 3.03Å; I135-I148 HydrophobicContact CD1-CD1 3.59Å; I135-I148 HydrophobicContact CD1-CG1 4.38Å; I135-I148 HydrophobicContact CG1-CD1 4.35Å; I135-L184 HydrophobicContact CG2-CD1 4.16Å |
| 136 | S | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.5 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 110.2 | L41 C124 I125 S144 T145 | L41-S136 WeakPolarHBondContact CD2-OG 3.17Å; C124-S136 CarbonylContact C-O 3.5Å; C124-S136 WeakPolarHBondContact CA-O 3.41Å; I125-S136 PolarHBondContact N-O 2.74Å; I125-S136 PolarHBondContact O-N 3.13Å; S136-S144 CarbonylContact C-O 3.52Å; S136-S144 VanDerWaalsContact CA-O 3.29Å; S136-S144 WeakPolarHBondContact CA-O 3.48Å; S136-T145 WeakPolarHBondContact OG-CG2 3.2Å |
| 137 | S | 87.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 42 Ų | 42 | 20% | 0.203 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.5 | 169 | 79.2 | 0 | 0 | 0 | 0 | 110.1 | L123 T143 S144 | L123-S137 CarbonylContact O-C 3.43Å; L123-S137 WeakPolarHBondContact O-CA 3.31Å; S137-T143 VanDerWaalsContact O-CA 3.3Å; S137-T143 WeakPolarHBondContact O-CA 3.48Å; S137-S144 PolarHBondContact N-O 2.95Å; S137-S144 PolarHBondContact O-N 2.7Å; S137-S144 PolarHBondContact OG-N 2.71Å; S137-S144 PolarHBondContact OG-OG 3.46Å |
| 138 | A | 86.5 | Confident | 88 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F65 L117 S122 L123 | F65-A138 HydrophobicContact CE1-CB 3.49Å; F65-A138 VanDerWaalsContact CE1-CB 3.49Å; F65-A138 HydrophobicContact CZ-CB 3.43Å; F65-A138 VanDerWaalsContact CZ-CB 3.43Å; L117-A138 HydrophobicContact CD1-CB 4.12Å; L117-A138 HydrophobicContact CD2-CB 4.31Å; S122-A138 CarbonylContact C-O 3.52Å; S122-A138 VanDerWaalsContact CA-O 3.31Å; S122-A138 WeakPolarHBondContact CA-O 3.21Å; S122-A138 WeakPolarHBondContact CB-O 3.06Å; L123-A138 HydrophobicContact CB-CB 4.31Å; L123-A138 PolarHBondContact N-O 3.11Å; L123-A138 PolarHBondContact O-N 3.37Å |
| 139 | S | 85.5 | Confident | 87.8 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | trans | -128.9 | 169.6 | 164.5 | 73.7 | 0 | 0 | 0 | 0 | 108.9 | D116 Y141 D142 | D116-S139 CarbonylContact O-C 3.47Å; D116-S139 WeakPolarHBondContact O-CA 3.32Å; S139-Y141 PolarHBondContact O-N 3.27Å; S139-D142 WeakPolarHBondContact CA-O 3.47Å; S139-D142 PolarHBondContact N-O 3.3Å; S139-D142 VanDerWaalsContact O-O 3.14Å; S139-D142 PolarHBondContact OG-N 2.99Å; S139-D142 PolarHBondContact OG-O 3.09Å | ||
| 140 | K | 81.2 | Confident | 87.5 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -56.8 | -31.4 | 179.5 | 180 | -180 | 177.5 | -167.8 | 0 | 113.3 | D116 | D116-K140 WeakPolarHBondContact O-CB 3.16Å; D116-K140 PolarHBondContact O-N 3.29Å; D116-K140 WeakPolarHBondContact OD1-CB 3.5Å; D116-K140 VanDerWaalsContact OD1-CD 3.26Å; D116-K140 WeakPolarHBondContact OD1-CD 3.38Å |
| 141 | Y | 82.1 | Confident | 87.6 | Confident | 189 Ų | 189 | 46 Ų | 46 | 74% | 0.741 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -114.4 | -17.2 | -173.7 | -54.6 | -61.7 | 0 | 0 | 0 | 114 | S139 | S139-Y141 PolarHBondContact O-N 3.27Š|
| 142 | D | 81.8 | Confident | 87.6 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | trans | -141.3 | 140.4 | -175.9 | -172.6 | 28.8 | 0 | 0 | 0 | 111.2 | S139 | S139-D142 WeakPolarHBondContact CA-O 3.47Å; S139-D142 PolarHBondContact N-O 3.3Å; S139-D142 VanDerWaalsContact O-O 3.14Å; S139-D142 PolarHBondContact OG-N 2.99Å; S139-D142 PolarHBondContact OG-O 3.09Å | ||
| 143 | T | 83.2 | Confident | 87.6 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 126.9 | 173.3 | 58 | 0 | 0 | 0 | 0 | 107.7 | F65 S137 | F65-T143 HydrophobicContact CD1-CG2 3.88Å; F65-T143 HydrophobicContact CE1-CG2 3.57Å; F65-T143 HydrophobicContact CZ-CG2 4.46Å; S137-T143 VanDerWaalsContact O-CA 3.3Å; S137-T143 WeakPolarHBondContact O-CA 3.48Å |
| 144 | S | 84.1 | Confident | 87.7 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.2 | 176.8 | 72.9 | 0 | 0 | 0 | 0 | 110.9 | S136 S137 | S136-S144 CarbonylContact C-O 3.52Å; S136-S144 VanDerWaalsContact CA-O 3.29Å; S136-S144 WeakPolarHBondContact CA-O 3.48Å; S137-S144 PolarHBondContact N-O 2.95Å; S137-S144 PolarHBondContact O-N 2.7Å; S137-S144 PolarHBondContact OG-N 2.71Å; S137-S144 PolarHBondContact OG-OG 3.46Å |
| 145 | T | 85.3 | Confident | 87.8 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.4 | 178.8 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | L77 L134 I135 S136 | L77-T145 WeakPolarHBondContact CD1-OG1 3.34Å; L134-T145 HydrophobicContact CD1-CG2 4.41Å; I135-T145 CarbonylContact O-C 3.58Å; I135-T145 VanDerWaalsContact O-CA 3.31Å; I135-T145 WeakPolarHBondContact O-CA 3.44Å; S136-T145 WeakPolarHBondContact OG-CG2 3.2Å |
| 146 | K | 86 | Confident | 88 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.7 | 170.8 | -170.8 | -175.5 | -177.9 | -168.6 | 0 | 108 | I135 I148 D192 | I135-K146 PolarHBondContact N-O 2.92Å; I135-K146 PolarHBondContact O-N 3.03Å; K146-I148 HydrophobicContact CD-CG2 3.8Å; K146-I148 VanDerWaalsContact CE-CG2 3.41Å; K146-I148 HydrophobicContact CG-CG2 4.06Å; K146-D192 IonicContact NZ-OD1 3.75Å; K146-D192 IonicContact NZ-OD2 2.95Å; K146-D192 PolarHBondContact NZ-OD2 3.43Å |
| 147 | I | 87.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137.2 | 169.3 | -164.6 | 160.7 | 0 | 0 | 0 | 109 | V129 R132 L133 | V129-I147 HydrophobicContact CG1-CD1 4.39Å; R132-I147 HydrophobicContact CB-CD1 4Å; R132-I147 HydrophobicContact CB-CG1 3.72Å; R132-I147 HydrophobicContact CG-CG1 4.45Å; R132-I147 VanDerWaalsContact NE-CD1 3.35Å; L133-I147 WeakPolarHBondContact O-CA 3.38Å |
| 148 | I | 89.1 | Confident | 88.8 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.2 | -178.8 | 55.3 | -178.4 | 0 | 0 | 0 | 110.2 | R132 L133 I135 K146 R150 | R132-I148 CarbonylContact C-O 3.49Å; R132-I148 WeakPolarHBondContact CA-O 3.25Å; R132-I148 WeakPolarHBondContact CB-O 3.3Å; L133-I148 HydrophobicContact CB-CG1 4Å; L133-I148 HydrophobicContact CD2-CD1 4.36Å; L133-I148 PolarHBondContact N-O 3.42Å; L133-I148 WeakPolarHBondContact O-CG1 3.41Å; L133-I148 PolarHBondContact O-N 2.78Å; I135-I148 HydrophobicContact CD1-CD1 3.59Å; I135-I148 HydrophobicContact CD1-CG1 4.38Å; I135-I148 HydrophobicContact CG1-CD1 4.35Å; K146-I148 HydrophobicContact CD-CG2 3.8Å; K146-I148 VanDerWaalsContact CE-CG2 3.41Å; K146-I148 HydrophobicContact CG-CG2 4.06Å; I148-R150 HydrophobicContact CD1-CG 4.15Å; I148-R150 HydrophobicContact CG1-CG 3.93Å |
| 149 | T | 89.7 | Confident | 89.3 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.4 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 150 | R | 85.9 | Confident | 89.7 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | trans | -133.1 | -17.8 | -174.9 | -68.6 | -59.8 | -164.2 | -163.3 | -1.3 | 114.6 | N131 L133 I148 I155 F177 W179 | N131-R150 PolarHBondContact O-N 2.85Å; L133-R150 HydrophobicContact CB-CG 4.05Å; I148-R150 HydrophobicContact CD1-CG 4.15Å; I148-R150 HydrophobicContact CG1-CG 3.93Å; R150-I155 HydrophobicContact CB-CD1 4.04Å; R150-F177 WeakPolarHBondContact O-CD2 3.31Å; R150-F177 VanDerWaalsContact O-CE2 3.22Å; R150-F177 WeakPolarHBondContact O-CE2 3.48Å; R150-W179 HydrophobicContact CB-CZ2 4.09Å; R150-W179 HydrophobicContact CG-CZ2 4.34Å | ||
| 151 | H | 93.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | trans | -134.7 | 158.5 | 179.9 | -79.6 | -102.1 | 0 | 0 | 0 | 110.6 | N131 S153 I155 T169 G171 D173 N175 F177 | N131-H151 WeakPolarHBondContact CB-O 3.37Å; N131-H151 PolarHBondContact ND2-O 2.84Å; N131-H151 PolarHBondContact O-N 2.86Å; N131-H151 VanDerWaalsContact O-N 3.12Å; H151-S153 VanDerWaalsContact C-N 3.28Å; H151-S153 WeakPolarHBondContact CB-O 3.35Å; H151-I155 HydrophobicContact CB-CD1 4.48Å; H151-I155 HydrophobicContact CB-CG1 3.88Å; H151-I155 VanDerWaalsContact CD2-CG1 3.46Å; H151-I155 WeakPolarHBondContact CD2-CG1 3.28Å; H151-T169 VanDerWaalsContact NE2-CB 3.28Å; H151-T169 WeakPolarHBondContact NE2-CB 3.22Å; H151-T169 PolarHBondContact NE2-O 2.75Å; H151-T169 PolarHBondContact NE2-OG1 3.05Å; H151-G171 PolarHBondContact CE1-N 2.66Å; H151-D173 WeakPolarHBondContact CB-OD2 3.21Å; H151-D173 IonicContact CE1-OD1 3.78Å; H151-D173 IonicContact CG-OD1 3.9Å; H151-D173 IonicContact CG-OD2 3.53Å; H151-D173 VanDerWaalsContact ND1-CG 3.35Å; H151-D173 IonicContact ND1-OD1 3.04Å; H151-D173 PolarHBondContact ND1-OD1 2.79Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.05Å; H151-N175 PolarHBondContact CE1-O 2.69Å; H151-F177 AromaticContact CD2-CD2 3.8Å; H151-F177 AromaticContact CE1-CD2 3.36Å; H151-F177 WeakPolarHBondContact CE1-CD2 3.33Å; H151-F177 AromaticContact CE1-CE2 3.74Å; H151-F177 AromaticContact CG-CD2 3.96Å; H151-F177 AromaticContact CG-CE2 3.91Å; H151-F177 AromaticContact ND1-CD2 3.69Å; H151-F177 AromaticContact ND1-CE2 3.6Å; H151-F177 AromaticContact NE2-CD2 3.48Å; H151-F177 WeakPolarHBondContact NE2-CD2 3.22Å | ||
| 152 | F | 92.3 | Very high | 90.6 | Very high | 177 Ų | 177 | 56.1 Ų | 56.1 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -81.5 | -11.8 | 174.4 | -62.2 | -75.3 | 0 | 0 | 0 | 112.5 | D173 | F152-D173 HydrophobicContact CB-CB 4.17Å; F152-D173 PolarHBondContact N-OD2 2.92Å |
| 153 | S | 93 | Very high | 91 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -145.2 | -176.5 | 176.5 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | N131 H151 I155 | N131-S153 VanDerWaalsContact CA-O 3.25Å; N131-S153 WeakPolarHBondContact CA-O 3.36Å; N131-S153 WeakPolarHBondContact CB-O 2.82Å; H151-S153 VanDerWaalsContact C-N 3.28Å; H151-S153 WeakPolarHBondContact CB-O 3.35Å; S153-I155 PolarHBondContact O-N 2.93Å |
| 154 | K | 93.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | trans | -58.2 | 121.2 | -172.1 | -178.3 | 175.6 | 177.4 | -178.2 | 0 | 112.4 | K130 G171 A172 | K130-K154 CarbonylContact O-C 3.53Å; K130-K154 VanDerWaalsContact O-CA 3.3Å; K130-K154 WeakPolarHBondContact O-CA 3.48Å; K154-G171 CarbonylContact O-C 3.56Å; K154-G171 WeakPolarHBondContact O-CA 3.2Å; K154-A172 HydrophobicContact CB-CB 4.42Å; K154-A172 PolarHBondContact O-N 3.36Å | ||
| 155 | I | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 133.2 | 168 | -46.5 | -172 | 0 | 0 | 0 | 108.9 | P128 K130 R132 L133 R150 H151 S153 C170 | P128-I155 HydrophobicContact CB-CB 3.87Å; P128-I155 HydrophobicContact CB-CG2 3.74Å; P128-I155 HydrophobicContact CG-CG2 3.89Å; K130-I155 PolarHBondContact O-N 2.78Å; R132-I155 VanDerWaalsContact C-CD1 3.49Å; R132-I155 VanDerWaalsContact O-CD1 3.31Å; R132-I155 WeakPolarHBondContact O-CD1 3.11Å; L133-I155 HydrophobicContact CB-CD1 4.27Å; R150-I155 HydrophobicContact CB-CD1 4.04Å; H151-I155 HydrophobicContact CB-CD1 4.48Å; H151-I155 HydrophobicContact CB-CG1 3.88Å; H151-I155 VanDerWaalsContact CD2-CG1 3.46Å; H151-I155 WeakPolarHBondContact CD2-CG1 3.28Å; S153-I155 PolarHBondContact O-N 2.93Å; I155-C170 WeakPolarHBondContact CG2-O 3.46Å |
| 156 | R | 95.4 | Very high | 91.9 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -34 | -177.3 | -63 | -57.6 | -59.2 | -82.7 | -4.3 | 112.7 | I105 R106 C170 | I105-R156 WeakPolarHBondContact CA-O 3.46Å; R106-R156 PolarHBondContact N-O 3.26Å; R106-R156 VanDerWaalsContact N-O 3.11Å; R156-C170 PolarHBondContact N-O 3.12Å |
| 157 | A | 97.1 | Very high | 92.4 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 151.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R106 T169 C170 | R106-A157 HydrophobicContact CB-CB 3.74Å; R106-A157 HydrophobicContact CG-CB 4.5Å; R106-A157 CarbonylContact O-C 3.57Å; R106-A157 WeakPolarHBondContact O-CA 3.37Å; A157-T169 WeakPolarHBondContact O-CA 3.39Å; A157-C170 PolarHBondContact N-O 3.47Å; A157-C170 PolarHBondContact O-N 3.43Å |
| 158 | C | 96.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 157.3 | 157.8 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | R106 F126 P128 L133 L167 Y168 T169 | R106-C158 PolarHBondContact O-N 3.24Å; F126-C158 PolarHBondContact O-SG 2.83Å; P128-C158 HydrophobicContact CG-CB 4.28Å; L133-C158 HydrophobicContact CD1-CB 4.35Å; C158-L167 HydrophobicContact CB-CD1 4.11Å; C158-L167 HydrophobicContact CB-CD2 4.44Å; C158-L167 HydrophobicContact CB-CG 4.41Å; C158-Y168 CarbonylContact C-O 3.54Å; C158-Y168 WeakPolarHBondContact CA-O 3.25Å; C158-T169 HydrophobicContact CB-CG2 3.92Å |
| 159 | V | 96.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 32% | 0.315 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 132.7 | 171.7 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | D108 Y168 | D108-V159 VanDerWaalsContact OD2-CA 3.31Å; D108-V159 WeakPolarHBondContact OD2-CA 3.44Å; D108-V159 WeakPolarHBondContact OD2-CG2 3.32Å; V159-Y168 HydrophobicContact CG1-CD2 4.49Å; V159-Y168 HydrophobicContact CG1-CG 4.45Å; V159-Y168 PolarHBondContact N-O 3.27Å; V159-Y168 PolarHBondContact O-N 2.85Å |
| 160 | W | 95.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 62 Ų | 62 | 10% | 0.095 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 140.4 | 177.3 | 178.4 | -104.7 | 0 | 0 | 0 | 110.7 | D108 T110 F126 D162 L165 E166 L167 I181 | D108-W160 HydrophobicContact CB-CB 4.48Å; D108-W160 PolarHBondContact OD2-N 3.31Å; T110-W160 VanDerWaalsContact CB-CD1 3.42Å; T110-W160 VanDerWaalsContact CB-NE1 3.28Å; T110-W160 HydrophobicContact CG2-CD2 4.14Å; T110-W160 HydrophobicContact CG2-CG 4.4Å; T110-W160 HydrophobicContact CG2-CZ2 4.12Å; T110-W160 PolarHBondContact OG1-NE1 2.73Å; F126-W160 HydrophobicContact CD2-CB 4.41Å; F126-W160 HydrophobicContact CE2-CB 4.16Å; F126-W160 AromaticContact CE2-CD2 3.94Å; F126-W160 HydrophobicContact CE2-CD2 3.94Å; F126-W160 AromaticContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CE3 3.7Å; F126-W160 HydrophobicContact CE2-CG 4.16Å; F126-W160 HydrophobicContact CE2-CZ3 4.42Å; F126-W160 HydrophobicContact CZ-CD2 4.41Å; F126-W160 AromaticContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CE3 3.88Å; F126-W160 HydrophobicContact CZ-CZ3 4.15Å; W160-D162 VanDerWaalsContact NE1-CG 3.31Å; W160-D162 PolarHBondContact NE1-OD1 2.82Å; W160-L165 HydrophobicContact CH2-CB 4.15Å; W160-L165 WeakPolarHBondContact CH2-O 3.36Å; W160-L165 HydrophobicContact CZ2-CB 4.18Å; W160-L165 HydrophobicContact CZ2-CD2 3.95Å; W160-E166 VanDerWaalsContact CE3-O 3.28Å; W160-L167 HydrophobicContact CB-CD1 4.26Å; W160-L167 HydrophobicContact CE3-CB 3.98Å; W160-L167 HydrophobicContact CE3-CD1 4.17Å; W160-L167 HydrophobicContact CZ3-CB 4.24Å; W160-I181 HydrophobicContact CE3-CD1 4.34Å; W160-I181 HydrophobicContact CH2-CB 3.99Å; W160-I181 HydrophobicContact CZ3-CB 3.71Å; W160-I181 HydrophobicContact CZ3-CD1 3.84Å; W160-I181 HydrophobicContact CZ3-CG1 3.86Å |
| 161 | N | 93.2 | Very high | 94 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 96.2 | 174.8 | -176.9 | -11.5 | 0 | 0 | 0 | 109.6 | R163 H164 L165 E166 Y168 | N161-R163 PolarHBondContact O-N 2.93Å; N161-R163 PolarHBondContact OD1-N 3.43Å; N161-H164 PolarHBondContact ND2-CD2 3.44Å; N161-H164 VanDerWaalsContact ND2-CD2 3.28Å; N161-H164 PolarHBondContact O-N 2.99Å; N161-H164 PolarHBondContact OD1-N 3.39Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 2.81Å; N161-E166 WeakPolarHBondContact CB-O 3.45Å; N161-E166 PolarHBondContact N-O 2.91Å; N161-E166 PolarHBondContact O-N 2.87Å; N161-Y168 HydrophobicContact CB-CD2 4.38Å; N161-Y168 HydrophobicContact CB-CE2 3.89Å |
| 162 | D | 88.8 | Confident | 94.1 | Very high | 89 Ų | 89 | 62.3 Ų | 62.3 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -179 | -70.7 | -68.6 | 0 | 0 | 0 | 113.5 | T110 W160 | T110-D162 PolarHBondContact OG1-OD1 2.87Å; W160-D162 VanDerWaalsContact NE1-CG 3.31Å; W160-D162 PolarHBondContact NE1-OD1 2.82Å |
| 163 | R | 90 | Very high | 94.2 | Very high | 216 Ų | 216 | 55.6 Ų | 55.6 | 82% | 0.815 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.6 | -179.9 | 177.3 | 179 | -70.6 | 176.2 | -1.6 | 112 | N161 | N161-R163 PolarHBondContact O-N 2.93Å; N161-R163 PolarHBondContact OD1-N 3.43Å |
| 164 | H | 90.2 | Very high | 94.4 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -7.6 | -174.3 | -67.7 | -85.5 | 0 | 0 | 0 | 113.2 | N161 E166 | N161-H164 PolarHBondContact ND2-CD2 3.44Å; N161-H164 VanDerWaalsContact ND2-CD2 3.28Å; N161-H164 PolarHBondContact O-N 2.99Å; N161-H164 PolarHBondContact OD1-N 3.39Å; H164-E166 VanDerWaalsContact C-N 3.31Å; H164-E166 HydrophobicContact CB-CB 4.46Å; H164-E166 HydrophobicContact CB-CG 4.1Å |
| 165 | L | 90 | Very high | 94.6 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 43.5 | -175.6 | -52.6 | 177.3 | 0 | 0 | 0 | 112.3 | W160 N161 I181 | W160-L165 HydrophobicContact CH2-CB 4.15Å; W160-L165 WeakPolarHBondContact CH2-O 3.36Å; W160-L165 HydrophobicContact CZ2-CB 4.18Å; W160-L165 HydrophobicContact CZ2-CD2 3.95Å; N161-L165 WeakPolarHBondContact O-CA 3.48Å; N161-L165 PolarHBondContact O-N 2.81Å; L165-I181 PolarHBondContact O-N 3.45Å |
| 166 | E | 92.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145 | -175.5 | -69.1 | 170.8 | 175.4 | 0 | 0 | 111.1 | W160 N161 H164 Y168 W179 | W160-E166 VanDerWaalsContact CE3-O 3.28Å; N161-E166 WeakPolarHBondContact CB-O 3.45Å; N161-E166 PolarHBondContact N-O 2.91Å; N161-E166 PolarHBondContact O-N 2.87Å; H164-E166 VanDerWaalsContact C-N 3.31Å; H164-E166 HydrophobicContact CB-CB 4.46Å; H164-E166 HydrophobicContact CB-CG 4.1Å; E166-Y168 HydrophobicContact CB-CE2 3.98Å; E166-Y168 PolarHBondContact OE2-OH 3.09Å; E166-W179 WeakPolarHBondContact CA-O 3.36Å |
| 167 | L | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.3 | 171.3 | -172.6 | 77.1 | 0 | 0 | 0 | 110.2 | F126 L133 C158 W160 T169 T178 W179 I181 | F126-L167 HydrophobicContact CB-CD1 4.1Å; F126-L167 HydrophobicContact CB-CD2 4.27Å; F126-L167 HydrophobicContact CD1-CD1 4.37Å; F126-L167 HydrophobicContact CD1-CD2 4.06Å; F126-L167 HydrophobicContact CD2-CD1 3.62Å; F126-L167 HydrophobicContact CE2-CD1 4.08Å; F126-L167 HydrophobicContact CG-CD1 3.76Å; F126-L167 HydrophobicContact CG-CD2 4.1Å; L133-L167 HydrophobicContact CD1-CD2 4.3Å; L133-L167 HydrophobicContact CD2-CD2 3.25Å; L133-L167 HydrophobicContact CG-CD2 4.4Å; C158-L167 HydrophobicContact CB-CD1 4.11Å; C158-L167 HydrophobicContact CB-CD2 4.44Å; C158-L167 HydrophobicContact CB-CG 4.41Å; W160-L167 HydrophobicContact CB-CD1 4.26Å; W160-L167 HydrophobicContact CE3-CB 3.98Å; W160-L167 HydrophobicContact CE3-CD1 4.17Å; W160-L167 HydrophobicContact CZ3-CB 4.24Å; L167-T169 HydrophobicContact CD2-CG2 3.88Å; L167-T169 HydrophobicContact CG-CG2 4.21Å; L167-T178 CarbonylContact O-C 3.58Å; L167-T178 WeakPolarHBondContact O-CA 3.15Å; L167-W179 PolarHBondContact N-O 3.04Å; L167-W179 PolarHBondContact O-N 3.32Å; L167-I181 HydrophobicContact CB-CD1 3.53Å; L167-I181 HydrophobicContact CB-CG1 3.98Å; L167-I181 HydrophobicContact CD2-CD1 3.85Å; L167-I181 HydrophobicContact CG-CD1 4.21Å |
| 168 | Y | 96.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 29% | 0.286 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.2 | 171.8 | -62.4 | -99.7 | 0 | 0 | 0 | 109.5 | C158 V159 N161 E166 F177 | C158-Y168 CarbonylContact C-O 3.54Å; C158-Y168 WeakPolarHBondContact CA-O 3.25Å; V159-Y168 HydrophobicContact CG1-CD2 4.49Å; V159-Y168 HydrophobicContact CG1-CG 4.45Å; V159-Y168 PolarHBondContact N-O 3.27Å; V159-Y168 PolarHBondContact O-N 2.85Å; N161-Y168 HydrophobicContact CB-CD2 4.38Å; N161-Y168 HydrophobicContact CB-CE2 3.89Å; E166-Y168 HydrophobicContact CB-CE2 3.98Å; E166-Y168 PolarHBondContact OE2-OH 3.09Å; Y168-F177 CarbonylContact C-O 3.56Å; Y168-F177 VanDerWaalsContact CA-O 3.25Å; Y168-F177 WeakPolarHBondContact CA-O 3.47Å |
| 169 | T | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.3 | 177.2 | 60 | 0 | 0 | 0 | 0 | 110.5 | L133 H151 A157 C158 L167 L176 F177 W179 | L133-T169 HydrophobicContact CD1-CG2 4.4Å; H151-T169 VanDerWaalsContact NE2-CB 3.28Å; H151-T169 WeakPolarHBondContact NE2-CB 3.22Å; H151-T169 PolarHBondContact NE2-O 2.75Å; H151-T169 PolarHBondContact NE2-OG1 3.05Å; A157-T169 WeakPolarHBondContact O-CA 3.39Å; C158-T169 HydrophobicContact CB-CG2 3.92Å; L167-T169 HydrophobicContact CD2-CG2 3.88Å; L167-T169 HydrophobicContact CG-CG2 4.21Å; T169-L176 CarbonylContact O-C 3.52Å; T169-L176 WeakPolarHBondContact O-CA 3.43Å; T169-F177 PolarHBondContact N-O 3.3Å; T169-F177 PolarHBondContact O-N 3.01Å; T169-W179 PolarHBondContact OG1-NE1 3.33Å |
| 170 | C | 97.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 32% | 0.324 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.2 | 172.7 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | I155 R156 A157 N175 L176 | I155-C170 WeakPolarHBondContact CG2-O 3.46Å; R156-C170 PolarHBondContact N-O 3.12Å; A157-C170 PolarHBondContact N-O 3.47Å; A157-C170 PolarHBondContact O-N 3.43Å; C170-N175 WeakPolarHBondContact CA-O 3.22Å; C170-L176 HydrophobicContact CB-CD1 3.94Å |
| 171 | G | 95.1 | Very high | 91.6 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 175.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.9 | H151 K154 D173 G174 N175 | H151-G171 PolarHBondContact CE1-N 2.66Å; K154-G171 CarbonylContact O-C 3.56Å; K154-G171 WeakPolarHBondContact O-CA 3.2Å; G171-D173 WeakPolarHBondContact CA-OD1 3.46Å; G171-D173 PolarHBondContact O-N 3.22Å; G171-G174 PolarHBondContact O-N 2.79Å; G171-N175 PolarHBondContact N-O 2.83Å |
| 172 | A | 95.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 0.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K154 | K154-A172 HydrophobicContact CB-CB 4.42Å; K154-A172 PolarHBondContact O-N 3.36Å |
| 173 | D | 95.9 | Very high | 88.2 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.2 | 167.9 | 56.5 | -8.5 | 0 | 0 | 0 | 112 | H151 F152 G171 N175 | H151-D173 WeakPolarHBondContact CB-OD2 3.21Å; H151-D173 IonicContact CE1-OD1 3.78Å; H151-D173 IonicContact CG-OD1 3.9Å; H151-D173 IonicContact CG-OD2 3.53Å; H151-D173 VanDerWaalsContact ND1-CG 3.35Å; H151-D173 IonicContact ND1-OD1 3.04Å; H151-D173 PolarHBondContact ND1-OD1 2.79Å; H151-D173 IonicContact ND1-OD2 2.9Å; H151-D173 PolarHBondContact ND1-OD2 3.05Å; F152-D173 HydrophobicContact CB-CB 4.17Å; F152-D173 PolarHBondContact N-OD2 2.92Å; G171-D173 WeakPolarHBondContact CA-OD1 3.46Å; G171-D173 PolarHBondContact O-N 3.22Å; D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 PolarHBondContact OD1-N 3.11Å; D173-N175 PolarHBondContact OD2-ND2 2.9Å |
| 174 | G | 96.2 | Very high | 86.4 | Confident | 72 Ų | 72 | 64 Ų | 64 | 74% | 0.742 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 80.7 | 3.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | G171 | G171-G174 PolarHBondContact O-N 2.79Š|
| 175 | N | 96.8 | Very high | 83.9 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | trans | -96 | 149 | -176.5 | -63.7 | -45.4 | 0 | 0 | 0 | 112.3 | H151 C170 G171 D173 F177 | H151-N175 PolarHBondContact CE1-O 2.69Å; C170-N175 WeakPolarHBondContact CA-O 3.22Å; G171-N175 PolarHBondContact N-O 2.83Å; D173-N175 PolarHBondContact O-N 3.33Å; D173-N175 PolarHBondContact OD1-N 3.11Å; D173-N175 PolarHBondContact OD2-ND2 2.9Å; N175-F177 HydrophobicContact CB-CD2 4.33Å; N175-F177 HydrophobicContact CB-CE1 4.21Å; N175-F177 HydrophobicContact CB-CE2 3.72Å; N175-F177 HydrophobicContact CB-CZ 3.65Å | ||
| 176 | L | 96.8 | Very high | 81.1 | Confident | 121 Ų | 121 | 62 Ų | 62 | 63% | 0.634 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.1 | 162.5 | 178.1 | 76.2 | 0 | 0 | 0 | 107.2 | T169 C170 | T169-L176 CarbonylContact O-C 3.52Å; T169-L176 WeakPolarHBondContact O-CA 3.43Å; C170-L176 HydrophobicContact CB-CD1 3.94Å |
| 177 | F | 95.2 | Very high | 78.2 | Confident | 54 Ų | 54 | 66.6 Ų | 66.6 | 24% | 0.237 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 149 | 175.6 | -64.1 | -60.4 | 0 | 0 | 0 | 110.9 | R150 H151 Y168 T169 N175 W179 | R150-F177 WeakPolarHBondContact O-CD2 3.31Å; R150-F177 VanDerWaalsContact O-CE2 3.22Å; R150-F177 WeakPolarHBondContact O-CE2 3.48Å; H151-F177 AromaticContact CD2-CD2 3.8Å; H151-F177 AromaticContact CE1-CD2 3.36Å; H151-F177 WeakPolarHBondContact CE1-CD2 3.33Å; H151-F177 AromaticContact CE1-CE2 3.74Å; H151-F177 AromaticContact CG-CD2 3.96Å; H151-F177 AromaticContact CG-CE2 3.91Å; H151-F177 AromaticContact ND1-CD2 3.69Å; H151-F177 AromaticContact ND1-CE2 3.6Å; H151-F177 AromaticContact NE2-CD2 3.48Å; H151-F177 WeakPolarHBondContact NE2-CD2 3.22Å; Y168-F177 CarbonylContact C-O 3.56Å; Y168-F177 VanDerWaalsContact CA-O 3.25Å; Y168-F177 WeakPolarHBondContact CA-O 3.47Å; T169-F177 PolarHBondContact N-O 3.3Å; T169-F177 PolarHBondContact O-N 3.01Å; N175-F177 HydrophobicContact CB-CD2 4.33Å; N175-F177 HydrophobicContact CB-CE1 4.21Å; N175-F177 HydrophobicContact CB-CE2 3.72Å; N175-F177 HydrophobicContact CB-CZ 3.65Å; F177-W179 VanDerWaalsContact CB-CE2 3.46Å; F177-W179 HydrophobicContact CB-CH2 4.48Å; F177-W179 HydrophobicContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-NE1 3.31Å; F177-W179 HydrophobicContact CD1-CZ2 4.26Å; F177-W179 AromaticContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CG-CH2 4.44Å; F177-W179 AromaticContact CG-CZ2 3.61Å; F177-W179 HydrophobicContact CG-CZ2 3.61Å |
| 178 | T | 93.6 | Very high | 75.3 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140 | 167.9 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | L167 | L167-T178 CarbonylContact O-C 3.58Å; L167-T178 WeakPolarHBondContact O-CA 3.15Å |
| 179 | W | 82.3 | Confident | 72.3 | Confident | 44 Ų | 44 | 76 Ų | 76 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.1 | -176.8 | -51.5 | 97.9 | 0 | 0 | 0 | 109.1 | R150 E166 L167 T169 F177 I181 | R150-W179 HydrophobicContact CB-CZ2 4.09Å; R150-W179 HydrophobicContact CG-CZ2 4.34Å; E166-W179 WeakPolarHBondContact CA-O 3.36Å; L167-W179 PolarHBondContact N-O 3.04Å; L167-W179 PolarHBondContact O-N 3.32Å; T169-W179 PolarHBondContact OG1-NE1 3.33Å; F177-W179 VanDerWaalsContact CB-CE2 3.46Å; F177-W179 HydrophobicContact CB-CH2 4.48Å; F177-W179 HydrophobicContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-CZ2 3.44Å; F177-W179 VanDerWaalsContact CB-NE1 3.31Å; F177-W179 HydrophobicContact CD1-CZ2 4.26Å; F177-W179 AromaticContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CD2-CZ2 3.86Å; F177-W179 HydrophobicContact CG-CH2 4.44Å; F177-W179 AromaticContact CG-CZ2 3.61Å; F177-W179 HydrophobicContact CG-CZ2 3.61Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.17Å |
| 180 | P | 77.2 | Confident | 69.7 | Low | 95 Ų | 95 | 81 Ų | 81 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 116.7 | 163.1 | 27.7 | -30.1 | 0 | 0 | 0 | 107.1 | L182 | P180-L182 PolarHBondContact O-N 2.96Å |
| 181 | I | 68.7 | Low | 66.9 | Low | 28 Ų | 28 | 84.6 Ų | 84.6 | 14% | 0.144 | 50% | 0.503 | C | S | . | . | trans | -91.7 | 93 | 168.1 | -57.4 | -170.3 | 0 | 0 | 0 | 105.1 | F126 W160 L165 L167 W179 | F126-I181 HydrophobicContact CD1-CD1 3.94Å; F126-I181 HydrophobicContact CE1-CD1 3.23Å; F126-I181 HydrophobicContact CZ-CD1 3.6Å; W160-I181 HydrophobicContact CE3-CD1 4.34Å; W160-I181 HydrophobicContact CH2-CB 3.99Å; W160-I181 HydrophobicContact CZ3-CB 3.71Å; W160-I181 HydrophobicContact CZ3-CD1 3.84Å; W160-I181 HydrophobicContact CZ3-CG1 3.86Å; L165-I181 PolarHBondContact O-N 3.45Å; L167-I181 HydrophobicContact CB-CD1 3.53Å; L167-I181 HydrophobicContact CB-CG1 3.98Å; L167-I181 HydrophobicContact CD2-CD1 3.85Å; L167-I181 HydrophobicContact CG-CD1 4.21Å; W179-I181 PolarHBondContact O-N 3.18Å; W179-I181 VanDerWaalsContact O-N 3.17Å | ||
| 182 | L | 58.6 | Low | 64.9 | Low | 120 Ų | 120 | 88.8 Ų | 88.8 | 63% | 0.628 | 52% | 0.522 | S | S | * | . | trans | -52.1 | 134.6 | 164.9 | -65.7 | 172.3 | 0 | 0 | 0 | 106.8 | P180 L184 I190 | P180-L182 PolarHBondContact O-N 2.96Å; L182-L184 PolarHBondContact O-N 2.89Å; L182-I190 HydrophobicContact CD1-CD1 4.14Å | ||
| 183 | P | 53.4 | Low | 62.4 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | trans | -49.4 | 134.5 | 179.5 | 18.4 | -29.6 | 0 | 0 | 0 | 108 | S185 | P183-S185 PolarHBondContact O-N 3.3Å; P183-S185 PolarHBondContact O-OG 3.23Å | ||
| 184 | L | 50.4 | Low | 59.4 | Low | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 56% | 0.56 | S | S | . | * | trans | -63.2 | 67.5 | 171.7 | -67.2 | 160.7 | 0 | 0 | 0 | 107.9 | I135 L182 | I135-L184 HydrophobicContact CG2-CD1 4.16Å; L182-L184 PolarHBondContact O-N 2.89Å | ||
| 185 | S | 37.9 | Very low | 56.5 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 51% | 0.51 | 58% | 0.579 | S | S | . | * | trans | -79.4 | 120.1 | 165.4 | 51.2 | 0 | 0 | 0 | 0 | 105.6 | P183 N187 | P183-S185 PolarHBondContact O-N 3.3Å; P183-S185 PolarHBondContact O-OG 3.23Å; S185-N187 VanDerWaalsContact C-N 3.33Å; S185-N187 PolarHBondContact O-N 2.9Å | ||
| 186 | S | 32 | Very low | 54.4 | Low | 99 Ų | 99 | 109.5 Ų | 109.5 | 69% | 0.692 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 99.3 | 166.2 | 49 | 0 | 0 | 0 | 0 | 107.9 | ||
| 187 | N | 31.5 | Very low | 52.2 | Low | 149 Ų | 149 | 108.8 Ų | 108.8 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170 | 0.3 | 145.6 | -85.4 | -13.7 | 0 | 0 | 0 | 116.4 | S185 | S185-N187 VanDerWaalsContact C-N 3.33Å; S185-N187 PolarHBondContact O-N 2.9Å |
| 188 | N | 34.5 | Very low | 49.8 | Very low | 131 Ų | 131 | 111.9 Ų | 111.9 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | trans | -110.6 | 105.5 | 179.8 | -67.2 | -24.6 | 0 | 0 | 0 | 112 | I190 | N188-I190 PolarHBondContact O-N 3.1Š| ||
| 189 | V | 33.5 | Very low | 47.2 | Very low | 140 Ų | 140 | 114.2 Ų | 114.2 | 85% | 0.848 | 62% | 0.618 | S | S | * | * | trans | -55.1 | 102.3 | 155.6 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 190 | I | 42.1 | Very low | 45.1 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 54% | 0.544 | 65% | 0.646 | S | S | . | * | trans | -96.9 | 110.5 | 165.3 | -61.4 | 175.1 | 0 | 0 | 0 | 104.4 | L182 N188 D192 | L182-I190 HydrophobicContact CD1-CD1 4.14Å; N188-I190 PolarHBondContact O-N 3.1Å; I190-D192 PolarHBondContact O-N 2.93Å | ||
| 191 | D | 39 | Very low | 42.9 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | trans | -52.8 | 118.9 | 165.8 | -91.2 | -33 | 0 | 0 | 0 | 108.3 | D193 | D191-D193 PolarHBondContact O-N 2.69Š| ||
| 192 | D | 51.3 | Low | 41.1 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 54% | 0.54 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -74 | 25.8 | 175.7 | -83.6 | -47.5 | 0 | 0 | 0 | 111.6 | K146 I190 | K146-D192 IonicContact NZ-OD1 3.75Å; K146-D192 IonicContact NZ-OD2 2.95Å; K146-D192 PolarHBondContact NZ-OD2 3.43Å; I190-D192 PolarHBondContact O-N 2.93Å |
| 193 | D | 43.5 | Very low | 39.7 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | -106.9 | 20.3 | -175.5 | -85.5 | -12.9 | 0 | 0 | 0 | 114.5 | D191 | D191-D193 PolarHBondContact O-N 2.69Š| ||
| 194 | Q | 32.4 | Very low | 38.6 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | trans | -124.5 | 113.7 | 169.2 | -65.4 | -172.2 | 30.5 | 0 | 0 | 110.4 | ||||
| 195 | F | 34.9 | Very low | 37.5 | Very low | 259 Ų | 259 | 134.8 Ų | 134.8 | 100% | 1.136 | 72% | 0.722 | S | S | * | * | trans | 93.6 | 0 | 170.3 | -47.4 | -68.9 | 0 | 0 | 0 | 117.9 |
Retrieved 195 of 195 residues in 357.2 ms
(Link to these results)