| 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 | 37.6 | Very low | 44.9 | Very low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.202 | 83% | 0.826 | S | S | * | * | 0 | 141.8 | 0 | -72 | 160.5 | 65 | 0 | 0 | 107.7 | |||||
| 2 | N | 34.5 | Very low | 45.3 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -62.3 | 155.6 | -139.1 | -100.8 | -13 | 0 | 0 | 0 | 119.7 | ||||
| 3 | P | 40 | Very low | 46 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 83% | 0.83 | S | S | * | * | trans | -89.8 | 158.6 | -179.1 | 36.5 | -29 | 0 | 0 | 0 | 113.6 | ||||
| 4 | A | 41.3 | Very low | 46.7 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | 46.8 | 102.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 5 | L | 47.5 | Very low | 47.2 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -61.8 | 121.9 | 146.9 | -82.8 | 112.5 | 0 | 0 | 0 | 110.2 | ||||
| 6 | L | 44.8 | Very low | 48 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -149.8 | 103.6 | 151.8 | -105 | 129.6 | 0 | 0 | 0 | 107.7 | S8 | L6-S8 PolarHBondContact O-N 3.35Š| ||
| 7 | A | 46.7 | Very low | 48.5 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -77.6 | 106.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | S | 48.7 | Very low | 48.8 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -96.3 | 98 | 170.1 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | L6 L10 | L6-S8 PolarHBondContact O-N 3.35Å; S8-L10 PolarHBondContact O-N 3.17Å; S8-L10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | V | 50.5 | Low | 49 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 95.5 | 169.6 | -179 | 0 | 0 | 0 | 0 | 107.3 | S11 | V9-S11 PolarHBondContact O-N 3.4Š| ||
| 10 | L | 50.3 | Low | 48.9 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -82.6 | 101.5 | 164.3 | -111.4 | 91.2 | 0 | 0 | 0 | 108 | S8 L12 | S8-L10 PolarHBondContact O-N 3.17Å; S8-L10 VanDerWaalsContact O-N 3.17Å; L10-L12 PolarHBondContact O-N 2.95Å; L10-L12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | S | 51.5 | Low | 49 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 110.8 | 167.4 | -17 | 0 | 0 | 0 | 0 | 108.5 | V9 L13 | V9-S11 PolarHBondContact O-N 3.4Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.15Å | ||
| 12 | L | 49.9 | Very low | 49.5 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -64.8 | 96.4 | 164.9 | -102 | 86.7 | 0 | 0 | 0 | 108.1 | L10 A14 | L10-L12 PolarHBondContact O-N 2.95Å; L10-L12 VanDerWaalsContact O-N 3.15Å; L12-A14 VanDerWaalsContact C-N 3.28Å; L12-A14 PolarHBondContact O-N 2.97Å; L12-A14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | L | 54.1 | Low | 50.5 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 90.5 | 157.5 | -83.3 | 156.6 | 0 | 0 | 0 | 106.8 | S11 T15 | S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.15Å; L13-T15 VanDerWaalsContact C-N 3.27Å; L13-T15 PolarHBondContact O-N 3.12Å | ||
| 14 | A | 56.3 | Low | 51.1 | Low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | trans | -67.7 | 93.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | L12 V16 | L12-A14 VanDerWaalsContact C-N 3.28Å; L12-A14 PolarHBondContact O-N 2.97Å; L12-A14 VanDerWaalsContact O-N 3.12Å; A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 2.85Å | ||
| 15 | T | 54 | Low | 51.9 | Low | 127 Ų | 127 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | -63.6 | 102.7 | 162.9 | 49.4 | 0 | 0 | 0 | 0 | 106.5 | L13 A17 | L13-T15 VanDerWaalsContact C-N 3.27Å; L13-T15 PolarHBondContact O-N 3.12Å; T15-A17 PolarHBondContact O-N 2.99Å | ||
| 16 | V | 59.9 | Low | 52.7 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -65.8 | 90.2 | 163.3 | -177.2 | 0 | 0 | 0 | 0 | 105.2 | A14 A18 | A14-V16 VanDerWaalsContact C-N 3.35Å; A14-V16 PolarHBondContact O-N 2.85Å; V16-A18 PolarHBondContact O-N 2.93Å; V16-A18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | A | 57.5 | Low | 54.7 | Low | 79 Ų | 79 | 125.4 Ų | 125.4 | 65% | 0.653 | 73% | 0.726 | S | S | * | * | trans | -61 | 116 | 162.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | T15 Q19 | T15-A17 PolarHBondContact O-N 2.99Å; A17-Q19 PolarHBondContact O-N 3.14Å | ||
| 18 | A | 53.7 | Low | 57 | Low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -52.9 | 111.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | V16 | V16-A18 PolarHBondContact O-N 2.93Å; V16-A18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | Q | 51.5 | Low | 59.3 | Low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | trans | -58.7 | 129.9 | 171.5 | -65.4 | -169.5 | -71.8 | 0 | 0 | 105.7 | A17 Y21 | A17-Q19 PolarHBondContact O-N 3.14Å; Q19-Y21 PolarHBondContact O-N 3.05Å | ||
| 20 | P | 48.6 | Very low | 61.5 | Low | 106 Ų | 106 | 114.8 Ų | 114.8 | 69% | 0.688 | 64% | 0.641 | S | S | * | * | trans | -55 | 123.5 | 167.3 | 6.7 | 0.9 | 0 | 0 | 0 | 105 | D22 | P20-D22 VanDerWaalsContact C-N 3.28Å; P20-D22 PolarHBondContact O-N 2.79Å | ||
| 21 | Y | 49.4 | Very low | 63.7 | Low | 237 Ų | 237 | 108.7 Ų | 108.7 | 93% | 0.929 | 62% | 0.615 | S | S | * | * | trans | -54.5 | 102.8 | 170.1 | -109.7 | -97 | 0 | 0 | 0 | 105.7 | Q19 H23 | Q19-Y21 PolarHBondContact O-N 3.05Å; Y21-H23 PolarHBondContact O-N 3.47Å | ||
| 22 | D | 49.3 | Very low | 65.9 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 65% | 0.647 | 59% | 0.594 | S | S | * | * | trans | -67.1 | 104.5 | -174.5 | -111.1 | -30.2 | 0 | 0 | 0 | 106.9 | P20 Y24 | P20-D22 VanDerWaalsContact C-N 3.28Å; P20-D22 PolarHBondContact O-N 2.79Å; D22-Y24 PolarHBondContact O-N 2.89Å; D22-Y24 WeakPolarHBondContact OD1-CD2 3.49Å | ||
| 23 | H | 54.3 | Low | 68.1 | Low | 52 Ų | 52 | 104.4 Ų | 104.4 | 24% | 0.241 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -63.3 | -0 | -178.6 | -168.7 | 68.3 | 0 | 0 | 0 | 113.5 | Y21 D25 W28 Y52 L62 | Y21-H23 PolarHBondContact O-N 3.47Å; H23-D25 PolarHBondContact O-N 2.91Å; H23-W28 AromaticContact CD2-CE2 3.91Å; H23-W28 AromaticContact CD2-NE1 3.35Å; H23-W28 PolarHBondContact CD2-NE1 2.87Å; H23-W28 AromaticContact CE1-CE2 3.43Å; H23-W28 VanDerWaalsContact CE1-CE2 3.43Å; H23-W28 AromaticContact CE1-CH2 3.84Å; H23-W28 AromaticContact CE1-CZ2 2.96Å; H23-W28 WeakPolarHBondContact CE1-CZ2 3.35Å; H23-W28 AromaticContact CE1-NE1 3.63Å; H23-W28 AromaticContact CG-NE1 3.91Å; H23-W28 AromaticContact ND1-CZ2 3.79Å; H23-W28 AromaticContact NE2-CE2 3.19Å; H23-W28 AromaticContact NE2-CZ2 3.25Å; H23-W28 WeakPolarHBondContact NE2-CZ2 3.25Å; H23-W28 AromaticContact NE2-NE1 3.15Å; H23-W28 PolarHBondContact NE2-NE1 3.31Å; H23-W28 VanDerWaalsContact NE2-NE1 3.15Å; H23-W28 PolarHBondContact O-NE1 2.92Å; H23-Y52 WeakPolarHBondContact CE1-CB 3.26Å; H23-Y52 AromaticContact CE1-CD1 3.46Å; H23-Y52 VanDerWaalsContact CE1-CD1 3.46Å; H23-Y52 WeakPolarHBondContact CE1-CD1 3.47Å; H23-Y52 AromaticContact CE1-CD2 3.27Å; H23-Y52 WeakPolarHBondContact CE1-CD2 3.16Å; H23-Y52 AromaticContact CE1-CE2 3.89Å; H23-Y52 AromaticContact CE1-CG 3.04Å; H23-Y52 AromaticContact ND1-CD2 3.9Å; H23-Y52 AromaticContact NE2-CD1 3.39Å; H23-Y52 WeakPolarHBondContact NE2-CD1 3.12Å; H23-Y52 AromaticContact NE2-CG 3.41Å; H23-L62 VanDerWaalsContact NE2-CD1 3.3Å; H23-L62 WeakPolarHBondContact NE2-CD1 3.1Å |
| 24 | Y | 52.3 | Low | 70.2 | Confident | 208 Ų | 208 | 102.1 Ų | 102.1 | 82% | 0.816 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -79.7 | -9 | -171.7 | -75.2 | -79 | 0 | 0 | 0 | 114.8 | D22 | D22-Y24 PolarHBondContact O-N 2.89Å; D22-Y24 WeakPolarHBondContact OD1-CD2 3.49Å |
| 25 | D | 58.7 | Low | 72.2 | Confident | 157 Ų | 157 | 99.6 Ų | 99.6 | 84% | 0.84 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -109.6 | 12.2 | -172.4 | -146.4 | 14.7 | 0 | 0 | 0 | 114.8 | H23 G27 | H23-D25 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact O-N 3.49Å |
| 26 | M | 64.8 | Low | 74.3 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -90.4 | 7.8 | -175 | -65.5 | -84.7 | -86.8 | 0 | 0 | 114.2 | W28 S64 | M26-W28 HydrophobicContact CB-CD2 4.31Å; M26-W28 HydrophobicContact CB-CH2 4.34Å; M26-W28 HydrophobicContact CB-CZ2 3.47Å; M26-W28 VanDerWaalsContact CB-CZ2 3.47Å; M26-W28 HydrophobicContact CE-CH2 4.42Å; M26-W28 HydrophobicContact CE-CZ2 4.22Å; M26-W28 HydrophobicContact CG-CZ2 3.89Å; M26-W28 PolarHBondContact O-N 3.15Å; M26-S64 WeakPolarHBondContact O-CB 3.46Å; M26-S64 PolarHBondContact O-OG 2.7Å |
| 27 | G | 86.2 | Confident | 76.1 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | trans | 62 | 38.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D25 V29 | D25-G27 PolarHBondContact O-N 3.49Å; G27-V29 PolarHBondContact O-N 3.35Å | ||
| 28 | W | 95 | Very high | 78 | Confident | 52 Ų | 52 | 90 Ų | 90 | 20% | 0.197 | 47% | 0.466 | C | S | . | . | trans | -55.2 | 128.3 | 179.5 | -58.2 | 111.9 | 0 | 0 | 0 | 111.8 | H23 M26 N30 L62 W63 | H23-W28 AromaticContact CD2-CE2 3.91Å; H23-W28 AromaticContact CD2-NE1 3.35Å; H23-W28 PolarHBondContact CD2-NE1 2.87Å; H23-W28 AromaticContact CE1-CE2 3.43Å; H23-W28 VanDerWaalsContact CE1-CE2 3.43Å; H23-W28 AromaticContact CE1-CH2 3.84Å; H23-W28 AromaticContact CE1-CZ2 2.96Å; H23-W28 WeakPolarHBondContact CE1-CZ2 3.35Å; H23-W28 AromaticContact CE1-NE1 3.63Å; H23-W28 AromaticContact CG-NE1 3.91Å; H23-W28 AromaticContact ND1-CZ2 3.79Å; H23-W28 AromaticContact NE2-CE2 3.19Å; H23-W28 AromaticContact NE2-CZ2 3.25Å; H23-W28 WeakPolarHBondContact NE2-CZ2 3.25Å; H23-W28 AromaticContact NE2-NE1 3.15Å; H23-W28 PolarHBondContact NE2-NE1 3.31Å; H23-W28 VanDerWaalsContact NE2-NE1 3.15Å; H23-W28 PolarHBondContact O-NE1 2.92Å; M26-W28 HydrophobicContact CB-CD2 4.31Å; M26-W28 HydrophobicContact CB-CH2 4.34Å; M26-W28 HydrophobicContact CB-CZ2 3.47Å; M26-W28 VanDerWaalsContact CB-CZ2 3.47Å; M26-W28 HydrophobicContact CE-CH2 4.42Å; M26-W28 HydrophobicContact CE-CZ2 4.22Å; M26-W28 HydrophobicContact CG-CZ2 3.89Å; M26-W28 PolarHBondContact O-N 3.15Å; W28-N30 VanDerWaalsContact C-N 3.27Å; W28-N30 PolarHBondContact O-N 3.35Å; W28-L62 HydrophobicContact CD2-CB 3.62Å; W28-L62 HydrophobicContact CD2-CD1 4.16Å; W28-L62 HydrophobicContact CD2-CG 4.49Å; W28-L62 HydrophobicContact CE3-CB 3.36Å; W28-L62 HydrophobicContact CG-CB 4.12Å; W28-L62 HydrophobicContact CG-CD1 4.21Å; W28-L62 HydrophobicContact CZ3-CB 3.88Å; W28-W63 CarbonylContact C-O 3.56Å; W28-W63 WeakPolarHBondContact CA-O 3.3Å; W28-W63 VanDerWaalsContact CE3-C 3.41Å | ||
| 29 | V | 97.1 | Very high | 80.2 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 29% | 0.285 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -82.3 | -8 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | G27 F36 F38 W63 F65 | G27-V29 PolarHBondContact O-N 3.35Å; V29-F36 HydrophobicContact CG2-CB 4.09Å; V29-F36 HydrophobicContact CG2-CD1 4.17Å; V29-F36 HydrophobicContact CG2-CD2 3.85Å; V29-F36 HydrophobicContact CG2-CE2 4.3Å; V29-F36 HydrophobicContact CG2-CG 3.77Å; V29-F38 HydrophobicContact CG1-CD2 3.69Å; V29-F38 HydrophobicContact CG1-CE2 4.2Å; V29-F38 HydrophobicContact CG1-CG 4.4Å; V29-W63 HydrophobicContact CG2-CB 4.23Å; V29-W63 WeakPolarHBondContact CG2-O 3.42Å; V29-W63 PolarHBondContact N-O 2.96Å; V29-F65 HydrophobicContact CG1-CD2 4.12Å; V29-F65 HydrophobicContact CG2-CD2 3.8Å; V29-F65 HydrophobicContact CG2-CE2 3.7Å |
| 30 | N | 97.2 | Very high | 82.4 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 5% | 0.053 | 42% | 0.416 | C | S | . | . | trans | -148.3 | 156.3 | -179.6 | 71.2 | -71.7 | 0 | 0 | 0 | 111.8 | W28 F36 R61 L62 W63 R116 | W28-N30 VanDerWaalsContact C-N 3.27Å; W28-N30 PolarHBondContact O-N 3.35Å; N30-F36 HydrophobicContact CB-CB 4.02Å; N30-F36 HydrophobicContact CB-CD1 3.68Å; N30-F36 HydrophobicContact CB-CG 4.25Å; N30-R61 PolarHBondContact ND2-O 3.25Å; N30-L62 WeakPolarHBondContact O-CD2 2.96Å; N30-W63 WeakPolarHBondContact OD1-CB 2.97Å; N30-W63 PolarHBondContact OD1-N 2.92Å; N30-R116 PolarHBondContact ND2-NH2 3.47Å; N30-R116 VanDerWaalsContact ND2-NH2 3.13Å | ||
| 31 | G | 97.1 | Very high | 84.7 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 27% | 0.268 | 41% | 0.405 | S | S | . | . | trans | -86 | 172.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q34 | G31-Q34 VanDerWaalsContact O-CB 3.24Å; G31-Q34 WeakPolarHBondContact O-CB 3.46Å; G31-Q34 PolarHBondContact O-N 3.3Å | ||
| 32 | Y | 97.1 | Very high | 86.8 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 24% | 0.235 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.8 | 174.1 | -62.6 | -74.3 | 0 | 0 | 0 | 111.7 | Q34 Y52 S54 E57 D60 L62 | Y32-Q34 PolarHBondContact O-N 3.13Å; Y32-Y52 VanDerWaalsContact OH-CD1 3.3Å; Y32-Y52 WeakPolarHBondContact OH-CD1 3.21Å; Y32-S54 VanDerWaalsContact CE1-CB 3.42Å; Y32-S54 VanDerWaalsContact CZ-CB 3.41Å; Y32-S54 WeakPolarHBondContact OH-CB 3.24Å; Y32-E57 HydrophobicContact CD1-CB 3.72Å; Y32-E57 HydrophobicContact CD1-CG 4.45Å; Y32-E57 HydrophobicContact CD2-CB 3.57Å; Y32-E57 HydrophobicContact CD2-CG 3.49Å; Y32-E57 VanDerWaalsContact CD2-CG 3.49Å; Y32-E57 HydrophobicContact CE1-CB 4.22Å; Y32-E57 HydrophobicContact CE2-CB 4.09Å; Y32-E57 HydrophobicContact CE2-CG 3.75Å; Y32-E57 HydrophobicContact CG-CB 3.35Å; Y32-E57 HydrophobicContact CG-CG 3.86Å; Y32-D60 WeakPolarHBondContact CA-OD2 3.27Å; Y32-D60 HydrophobicContact CD1-CB 4.16Å; Y32-D60 WeakPolarHBondContact CE1-O 3.22Å; Y32-L62 HydrophobicContact CD1-CD2 4.05Å; Y32-L62 HydrophobicContact CD1-CG 4.1Å; Y32-L62 HydrophobicContact CD2-CD2 3.99Å; Y32-L62 HydrophobicContact CD2-CG 4.38Å; Y32-L62 HydrophobicContact CE1-CD1 4.26Å; Y32-L62 HydrophobicContact CE1-CD2 4.1Å; Y32-L62 HydrophobicContact CE1-CG 3.65Å; Y32-L62 HydrophobicContact CE2-CD1 3.85Å; Y32-L62 HydrophobicContact CE2-CD2 4.05Å; Y32-L62 HydrophobicContact CE2-CG 3.97Å; Y32-L62 HydrophobicContact CG-CD2 4Å; Y32-L62 HydrophobicContact CG-CG 4.45Å |
| 33 | R | 97.1 | Very high | 88.8 | Confident | 113 Ų | 113 | 71 Ų | 71 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 8.5 | -175 | -47.4 | -176 | -167.6 | -179.6 | 3.8 | 114.2 | E57 D60 Y109 | R33-E57 WeakPolarHBondContact CG-O 3.39Å; R33-E57 PolarHBondContact NE-O 3.5Å; R33-D60 PolarHBondContact N-OD2 3.35Å; R33-Y109 HydrophobicContact CB-CD1 3.66Å; R33-Y109 HydrophobicContact CB-CE1 3.89Å; R33-Y109 HydrophobicContact CB-CG 4.01Å; R33-Y109 HydrophobicContact CG-CD1 4Å; R33-Y109 HydrophobicContact CG-CE1 3.71Å; R33-Y109 HydrophobicContact CG-CE2 4.28Å; R33-Y109 HydrophobicContact CG-CG 4.4Å; R33-Y109 WeakPolarHBondContact O-CB 3.3Å |
| 34 | Q | 97.4 | Very high | 90.8 | Very high | 112 Ų | 112 | 71.2 Ų | 71.2 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | trans | -94.4 | 137.9 | 175.8 | -162 | -170.6 | -12.6 | 0 | 0 | 109.6 | G31 Y32 R116 | G31-Q34 VanDerWaalsContact O-CB 3.24Å; G31-Q34 WeakPolarHBondContact O-CB 3.46Å; G31-Q34 PolarHBondContact O-N 3.3Å; Y32-Q34 PolarHBondContact O-N 3.13Å; Q34-R116 PolarHBondContact O-NH1 3.43Å; Q34-R116 PolarHBondContact O-NH2 2.03Å; Q34-R116 VanDerWaalsContact O-NH2 3.13Å | ||
| 35 | G | 97.5 | Very high | 92.9 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | trans | -75.9 | 162.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | S107 | G35-S107 CarbonylContact C-O 3.56Å; G35-S107 WeakPolarHBondContact CA-O 3.3Å | ||
| 36 | F | 98.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.8 | 174.2 | 62.6 | -96.5 | 0 | 0 | 0 | 111.4 | V29 N30 F38 W63 F65 V105 Q106 S107 W118 | V29-F36 HydrophobicContact CG2-CB 4.09Å; V29-F36 HydrophobicContact CG2-CD1 4.17Å; V29-F36 HydrophobicContact CG2-CD2 3.85Å; V29-F36 HydrophobicContact CG2-CE2 4.3Å; V29-F36 HydrophobicContact CG2-CG 3.77Å; N30-F36 HydrophobicContact CB-CB 4.02Å; N30-F36 HydrophobicContact CB-CD1 3.68Å; N30-F36 HydrophobicContact CB-CG 4.25Å; F36-F38 HydrophobicContact CD2-CB 4.31Å; F36-W63 HydrophobicContact CE1-CB 3.93Å; F36-W63 AromaticContact CE1-CD1 3.59Å; F36-W63 AromaticContact CE1-CG 3.81Å; F36-W63 HydrophobicContact CE1-CG 3.81Å; F36-W63 HydrophobicContact CZ-CB 4.01Å; F36-W63 AromaticContact CZ-CG 3.97Å; F36-W63 HydrophobicContact CZ-CG 3.97Å; F36-F65 HydrophobicContact CD2-CE2 4.16Å; F36-F65 AromaticContact CE2-CE2 3.42Å; F36-F65 HydrophobicContact CE2-CE2 3.42Å; F36-F65 VanDerWaalsContact CE2-CE2 3.42Å; F36-F65 AromaticContact CE2-CZ 3.79Å; F36-F65 HydrophobicContact CE2-CZ 3.79Å; F36-F65 AromaticContact CZ-CE2 3.68Å; F36-F65 HydrophobicContact CZ-CE2 3.68Å; F36-F65 AromaticContact CZ-CZ 3.77Å; F36-F65 HydrophobicContact CZ-CZ 3.77Å; F36-V105 HydrophobicContact CE2-CB 4.23Å; F36-V105 HydrophobicContact CE2-CG1 4.18Å; F36-V105 WeakPolarHBondContact CE2-O 3.29Å; F36-V105 HydrophobicContact CZ-CG1 4.5Å; F36-Q106 WeakPolarHBondContact O-CA 3.34Å; F36-Q106 WeakPolarHBondContact O-CG 3.09Å; F36-S107 PolarHBondContact N-O 3.21Å; F36-S107 PolarHBondContact O-N 3.28Å; F36-W118 HydrophobicContact CE1-CH2 4.49Å; F36-W118 HydrophobicContact CE1-CZ3 4.44Å; F36-W118 HydrophobicContact CZ-CH2 4.23Å; F36-W118 AromaticContact CZ-CZ3 3.78Å; F36-W118 HydrophobicContact CZ-CZ3 3.78Å |
| 37 | N | 98.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 104.9 | 170.5 | 179.8 | -20.6 | 0 | 0 | 0 | 107.1 | Q39 W82 Q106 | N37-Q39 PolarHBondContact OD1-NE2 3.11Å; N37-Q39 VanDerWaalsContact OD1-NE2 3.1Å; N37-W82 VanDerWaalsContact OD1-CH2 3.32Å; N37-W82 WeakPolarHBondContact OD1-CH2 3.33Å; N37-W82 VanDerWaalsContact OD1-CZ2 3.23Å; N37-W82 WeakPolarHBondContact OD1-CZ2 3.47Å; N37-Q106 HydrophobicContact CB-CG 4.42Å; N37-Q106 PolarHBondContact ND2-NE2 2.8Å; N37-Q106 VanDerWaalsContact ND2-NE2 3.15Å |
| 38 | F | 98.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131 | -179.9 | 179.7 | -93.1 | 0 | 0 | 0 | 109.7 | V29 F36 L46 F65 C67 G104 V105 | V29-F38 HydrophobicContact CG1-CD2 3.69Å; V29-F38 HydrophobicContact CG1-CE2 4.2Å; V29-F38 HydrophobicContact CG1-CG 4.4Å; F36-F38 HydrophobicContact CD2-CB 4.31Å; F38-L46 HydrophobicContact CD1-CD1 4.48Å; F38-L46 HydrophobicContact CE1-CD1 4.03Å; F38-F65 HydrophobicContact CB-CD2 3.92Å; F38-F65 HydrophobicContact CB-CE2 4.31Å; F38-F65 HydrophobicContact CD1-CB 3.6Å; F38-F65 AromaticContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CD2 3.83Å; F38-F65 AromaticContact CD1-CG 3.84Å; F38-F65 HydrophobicContact CD1-CG 3.84Å; F38-F65 HydrophobicContact CD2-CB 4.37Å; F38-F65 HydrophobicContact CD2-CD2 4.3Å; F38-F65 HydrophobicContact CE1-CB 3.33Å; F38-F65 HydrophobicContact CE1-CD2 4.44Å; F38-F65 HydrophobicContact CE1-CG 4.1Å; F38-F65 HydrophobicContact CE2-CB 4.13Å; F38-F65 HydrophobicContact CG-CB 4.11Å; F38-F65 AromaticContact CG-CD2 3.74Å; F38-F65 HydrophobicContact CG-CD2 3.74Å; F38-F65 HydrophobicContact CG-CG 4.21Å; F38-F65 HydrophobicContact CZ-CB 3.61Å; F38-C67 VanDerWaalsContact CE1-SG 3.51Å; F38-C67 VanDerWaalsContact CZ-SG 3.54Å; F38-G104 CarbonylContact O-C 3.54Å; F38-G104 WeakPolarHBondContact O-CA 3.28Å; F38-V105 PolarHBondContact N-O 2.84Å; F38-V105 PolarHBondContact O-N 2.87Å |
| 39 | Q | 98.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.9 | 175.7 | -72.1 | 168.6 | 60.8 | 0 | 0 | 108.3 | N37 W82 Y121 | N37-Q39 PolarHBondContact OD1-NE2 3.11Å; N37-Q39 VanDerWaalsContact OD1-NE2 3.1Å; Q39-W82 HydrophobicContact CG-CH2 4.21Å; Q39-W82 HydrophobicContact CG-CZ2 3.94Å; Q39-Y121 HydrophobicContact CG-CD1 3.93Å; Q39-Y121 HydrophobicContact CG-CE1 4.35Å; Q39-Y121 HydrophobicContact CG-CG 4.15Å |
| 40 | C | 97.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.095 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 151.4 | 169.8 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | E44 C67 A103 | C40-E44 HydrophobicContact CB-CB 3.98Å; C40-C67 WeakPolarHBondContact CA-SG 3.44Å; C40-C67 HydrophobicContact CB-CB 3.66Å; C40-C67 WeakPolarHBondContact CB-SG 3.32Å; C40-C67 WeakPolarHBondContact SG-CB 3.28Å; C40-C67 CovalentContact SG-SG 2.03Å; C40-C67 PolarHBondContact SG-SG 3.09Å; C40-A103 VanDerWaalsContact CB-O 3.27Å; C40-A103 WeakPolarHBondContact CB-O 3.48Å; C40-A103 PolarHBondContact N-O 2.91Å; C40-A103 PolarHBondContact SG-O 3.27Å; C40-A103 VanDerWaalsContact SG-O 3.42Å |
| 41 | P | 96.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -51.6 | 156.8 | 166.9 | -24.8 | 33.7 | 0 | 0 | 0 | 112.2 | G43 E44 | P41-G43 PolarHBondContact O-N 3.34Å; P41-E44 HydrophobicContact CB-CG 4.13Å; P41-E44 WeakPolarHBondContact CD-OE2 3.24Å; P41-E44 WeakPolarHBondContact O-CB 3.49Å; P41-E44 PolarHBondContact O-N 3.33Å |
| 42 | H | 93.8 | Very high | 96.9 | Very high | 145 Ų | 145 | 48.6 Ų | 48.6 | 67% | 0.671 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.6 | 177.6 | -175.5 | -79.3 | 0 | 0 | 0 | 111.1 | E44 E76 | H42-E44 VanDerWaalsContact C-N 3.27Å; H42-E76 IonicContact CE1-OE2 3.93Å; H42-E76 PolarHBondContact CE1-OE2 2.87Å; H42-E76 IonicContact ND1-OE2 2.76Å; H42-E76 PolarHBondContact ND1-OE2 3.37Å; H42-E76 VanDerWaalsContact ND1-OE2 3.14Å |
| 43 | G | 92.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P41 V70 | P41-G43 PolarHBondContact O-N 3.34Å; G43-V70 PolarHBondContact O-N 2.88Å |
| 44 | E | 95.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 153.5 | 175.6 | -56.4 | -167.7 | 177.1 | 0 | 0 | 112 | C40 P41 H42 C67 Q68 A69 | C40-E44 HydrophobicContact CB-CB 3.98Å; P41-E44 HydrophobicContact CB-CG 4.13Å; P41-E44 WeakPolarHBondContact CD-OE2 3.24Å; P41-E44 WeakPolarHBondContact O-CB 3.49Å; P41-E44 PolarHBondContact O-N 3.33Å; H42-E44 VanDerWaalsContact C-N 3.27Å; E44-C67 HydrophobicContact CB-CB 4.05Å; E44-C67 WeakPolarHBondContact OE2-CB 3.45Å; E44-Q68 VanDerWaalsContact CA-O 3.29Å; E44-Q68 WeakPolarHBondContact CA-O 3.37Å; E44-A69 HydrophobicContact CG-CB 4.38Å |
| 45 | L | 96.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 157.6 | 177.5 | -69.1 | 179.3 | 0 | 0 | 0 | 111 | V47 C67 Q68 V70 L101 A103 Y125 F157 | L45-V47 PolarHBondContact O-N 3.24Å; L45-C67 CarbonylContact O-C 3.46Å; L45-C67 VanDerWaalsContact O-CA 3.27Å; L45-C67 WeakPolarHBondContact O-CA 3.47Å; L45-Q68 PolarHBondContact N-O 2.79Å; L45-Q68 PolarHBondContact O-N 3.44Å; L45-V70 HydrophobicContact CB-CG1 4.38Å; L45-V70 HydrophobicContact CD1-CG1 3.44Å; L45-V70 VanDerWaalsContact CD1-CG1 3.44Å; L45-V70 HydrophobicContact CG-CG1 3.65Å; L45-L101 HydrophobicContact CD1-CB 3.84Å; L45-L101 HydrophobicContact CD1-CD1 3.38Å; L45-L101 HydrophobicContact CD1-CG 4.27Å; L45-L101 HydrophobicContact CD2-CB 3.87Å; L45-A103 HydrophobicContact CD2-CB 3.87Å; L45-Y125 HydrophobicContact CD1-CE2 4.07Å; L45-Y125 HydrophobicContact CD2-CE2 4.01Å; L45-Y125 HydrophobicContact CG-CE2 4.27Å; L45-F157 HydrophobicContact CD1-CD1 3.6Å; L45-F157 HydrophobicContact CD1-CE1 4.15Å; L45-F157 HydrophobicContact CD1-CG 4.29Å |
| 46 | L | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 126 | 178.4 | -165 | 72 | 0 | 0 | 0 | 110.2 | F38 I49 F65 V102 V105 I158 | F38-L46 HydrophobicContact CD1-CD1 4.48Å; F38-L46 HydrophobicContact CE1-CD1 4.03Å; L46-I49 HydrophobicContact CD2-CD1 3.63Å; L46-I49 HydrophobicContact CD2-CG1 3.75Å; L46-I49 HydrophobicContact CG-CD1 4.46Å; L46-I49 HydrophobicContact CG-CG1 4.16Å; L46-F65 HydrophobicContact CD1-CB 3.75Å; L46-F65 HydrophobicContact CD1-CD1 3.83Å; L46-F65 HydrophobicContact CD1-CG 4.1Å; L46-F65 HydrophobicContact CD2-CD1 4.3Å; L46-V102 HydrophobicContact CB-CG1 4.37Å; L46-V102 WeakPolarHBondContact CB-O 3.42Å; L46-V102 HydrophobicContact CD2-CG1 3.94Å; L46-V102 PolarHBondContact N-O 3.46Å; L46-V102 VanDerWaalsContact N-O 3.13Å; L46-V105 HydrophobicContact CD2-CG2 3.85Å; L46-I158 HydrophobicContact CB-CD1 4.16Å; L46-I158 HydrophobicContact CD2-CD1 4.06Å; L46-I158 HydrophobicContact CG-CD1 4.08Å; L46-I158 WeakPolarHBondContact O-CD1 3.4Å |
| 47 | V | 96.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 53 Ų | 53 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | -22.6 | -177.4 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | L45 E66 Q68 I151 | L45-V47 PolarHBondContact O-N 3.24Å; V47-E66 HydrophobicContact CG2-CB 4.22Å; V47-E66 WeakPolarHBondContact CG2-O 3.46Å; V47-E66 PolarHBondContact N-O 3.35Å; V47-Q68 HydrophobicContact CB-CB 4.31Å; V47-Q68 HydrophobicContact CG1-CB 3.51Å; V47-Q68 HydrophobicContact CG2-CB 3.85Å; V47-I151 HydrophobicContact CB-CD1 4.1Å; V47-I151 HydrophobicContact CG1-CD1 3.97Å; V47-I151 WeakPolarHBondContact O-CG1 3.45Å; V47-I151 PolarHBondContact O-N 2.94Å |
| 48 | A | 96.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F65 E66 M149 V150 | A48-F65 WeakPolarHBondContact O-CA 3.23Å; A48-E66 HydrophobicContact CB-CB 3.87Å; A48-E66 HydrophobicContact CB-CG 4.11Å; A48-E66 PolarHBondContact N-O 2.71Å; A48-E66 PolarHBondContact O-N 2.69Å; A48-M149 CarbonylContact C-O 3.49Å; A48-M149 VanDerWaalsContact CA-O 3.23Å; A48-M149 WeakPolarHBondContact CA-O 3.15Å; A48-V150 HydrophobicContact CB-CG2 4Å |
| 49 | I | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 122.4 | 177.3 | -54.6 | 172.6 | 0 | 0 | 0 | 107.2 | L46 W63 F65 M149 I158 Y176 | L46-I49 HydrophobicContact CD2-CD1 3.63Å; L46-I49 HydrophobicContact CD2-CG1 3.75Å; L46-I49 HydrophobicContact CG-CD1 4.46Å; L46-I49 HydrophobicContact CG-CG1 4.16Å; I49-W63 HydrophobicContact CG2-CE3 3.87Å; I49-W63 HydrophobicContact CG2-CZ3 3.77Å; I49-F65 HydrophobicContact CB-CD1 4.32Å; I49-F65 HydrophobicContact CB-CE1 4.38Å; I49-F65 HydrophobicContact CG1-CD1 3.96Å; I49-F65 HydrophobicContact CG1-CE1 4.14Å; I49-F65 HydrophobicContact CG2-CD1 4.01Å; I49-F65 HydrophobicContact CG2-CE1 3.65Å; I49-M149 HydrophobicContact CD1-CE 3.66Å; I49-M149 HydrophobicContact CG1-CE 4.03Å; I49-M149 PolarHBondContact N-O 2.88Å; I49-M149 PolarHBondContact O-N 2.91Å; I49-I158 HydrophobicContact CD1-CD1 4.07Å; I49-Y176 HydrophobicContact CD1-CD1 3.88Å; I49-Y176 HydrophobicContact CD1-CE1 3.22Å |
| 50 | R | 97.5 | Very high | 96.4 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.2 | 173.7 | -62.4 | -172.5 | -175 | 90.5 | 3.7 | 109.8 | W63 S64 E66 G147 E148 | R50-W63 WeakPolarHBondContact O-CA 3.47Å; R50-S64 PolarHBondContact N-O 2.89Å; R50-S64 PolarHBondContact O-N 3.13Å; R50-E66 IonicContact CZ-OE1 2.69Å; R50-E66 IonicContact NH1-OE1 3.55Å; R50-E66 PolarHBondContact NH1-OE1 2.77Å; R50-E66 IonicContact NH2-OE1 3.67Å; R50-G147 CarbonylContact C-O 3.54Å; R50-G147 VanDerWaalsContact CA-O 3.26Å; R50-G147 WeakPolarHBondContact CA-O 3.44Å; R50-E148 HydrophobicContact CG-CB 4.42Å; R50-E148 HydrophobicContact CG-CG 4.1Å; R50-E148 IonicContact CZ-OE1 3.82Å; R50-E148 IonicContact NE-OE1 2.84Å; R50-E148 PolarHBondContact NE-OE1 3.42Å; R50-E148 IonicContact NH2-OE1 3.11Å; R50-E148 PolarHBondContact NH2-OE1 3.34Å; R50-E148 VanDerWaalsContact NH2-OE1 3.14Å |
| 51 | S | 97.5 | Very high | 96.4 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 143.8 | 176.3 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | R61 L62 G147 | S51-R61 PolarHBondContact OG-NH1 2.72Å; S51-L62 CarbonylContact C-O 3.59Å; S51-L62 WeakPolarHBondContact CA-O 3.47Å; S51-L62 WeakPolarHBondContact CB-O 3.48Å; S51-G147 PolarHBondContact N-O 2.85Å; S51-G147 PolarHBondContact O-N 2.82Å; S51-G147 PolarHBondContact OG-N 3.39Å |
| 52 | Y | 97.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 33% | 0.333 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.9 | 178.5 | -170.3 | -92.8 | 0 | 0 | 0 | 112.7 | H23 Y32 R61 L62 E146 | H23-Y52 WeakPolarHBondContact CE1-CB 3.26Å; H23-Y52 AromaticContact CE1-CD1 3.46Å; H23-Y52 VanDerWaalsContact CE1-CD1 3.46Å; H23-Y52 WeakPolarHBondContact CE1-CD1 3.47Å; H23-Y52 AromaticContact CE1-CD2 3.27Å; H23-Y52 WeakPolarHBondContact CE1-CD2 3.16Å; H23-Y52 AromaticContact CE1-CE2 3.89Å; H23-Y52 AromaticContact CE1-CG 3.04Å; H23-Y52 AromaticContact ND1-CD2 3.9Å; H23-Y52 AromaticContact NE2-CD1 3.39Å; H23-Y52 WeakPolarHBondContact NE2-CD1 3.12Å; H23-Y52 AromaticContact NE2-CG 3.41Å; Y32-Y52 VanDerWaalsContact OH-CD1 3.3Å; Y32-Y52 WeakPolarHBondContact OH-CD1 3.21Å; Y52-R61 CarbonylContact O-C 3.58Å; Y52-R61 WeakPolarHBondContact O-CA 3.42Å; Y52-L62 PolarHBondContact N-O 2.84Å; Y52-L62 PolarHBondContact O-N 3.05Å; Y52-E146 WeakPolarHBondContact CA-OE2 3.42Å; Y52-E146 HydrophobicContact CD2-CG 3.74Å; Y52-E146 VanDerWaalsContact CD2-OE1 3.3Å; Y52-E146 WeakPolarHBondContact CD2-OE1 3.31Å; Y52-E146 WeakPolarHBondContact CD2-OE2 3.46Å; Y52-E146 HydrophobicContact CE2-CG 3.96Å; Y52-E146 WeakPolarHBondContact CE2-OE1 3.28Å |
| 53 | F | 97.3 | Very high | 96.6 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.3 | -172.4 | 179.4 | -96.2 | 0 | 0 | 0 | 113.3 | E55 R61 R144 E146 D171 | F53-E55 HydrophobicContact CE1-CB 3.92Å; F53-E55 HydrophobicContact CZ-CB 4.27Å; F53-R61 HydrophobicContact CB-CG 4.13Å; F53-R61 HydrophobicContact CD2-CG 3.98Å; F53-R144 HydrophobicContact CD1-CB 3.57Å; F53-R144 HydrophobicContact CD1-CG 4.01Å; F53-R144 HydrophobicContact CE1-CB 3.55Å; F53-R144 HydrophobicContact CE1-CG 3.47Å; F53-R144 VanDerWaalsContact CE1-CG 3.47Å; F53-R144 HydrophobicContact CE2-CG 4.47Å; F53-R144 HydrophobicContact CG-CB 4.3Å; F53-R144 HydrophobicContact CZ-CB 4.26Å; F53-R144 HydrophobicContact CZ-CG 3.75Å; F53-E146 PolarHBondContact N-OE2 3.42Å; F53-D171 HydrophobicContact CD2-CB 4.29Å; F53-D171 HydrophobicContact CE2-CB 3.8Å; F53-D171 HydrophobicContact CZ-CB 4.43Å |
| 54 | S | 96.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 116.9 | 169.4 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | Y32 K56 E57 S59 D60 | Y32-S54 VanDerWaalsContact CE1-CB 3.42Å; Y32-S54 VanDerWaalsContact CZ-CB 3.41Å; Y32-S54 WeakPolarHBondContact OH-CB 3.24Å; S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact OG-N 2.88Å; S54-E57 PolarHBondContact O-N 2.65Å; S54-E57 WeakPolarHBondContact OG-CG 3.32Å; S54-E57 PolarHBondContact OG-N 3.14Å; S54-S59 VanDerWaalsContact O-CA 3.28Å; S54-S59 WeakPolarHBondContact O-CA 3.11Å; S54-S59 PolarHBondContact O-N 3.23Å; S54-D60 PolarHBondContact N-O 2.87Å; S54-D60 PolarHBondContact O-N 3.13Å; S54-D60 VanDerWaalsContact O-N 3.13Å |
| 55 | E | 96.3 | Very high | 97 | Very high | 108 Ų | 108 | 32.4 Ų | 32.4 | 51% | 0.505 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -38.4 | 172.4 | -173.3 | 164.6 | -150.9 | 0 | 0 | 111.5 | F53 E57 G58 S59 R144 | F53-E55 HydrophobicContact CE1-CB 3.92Å; F53-E55 HydrophobicContact CZ-CB 4.27Å; E55-E57 PolarHBondContact O-N 2.81Å; E55-G58 PolarHBondContact O-N 2.8Å; E55-S59 PolarHBondContact O-N 3.24Å; E55-R144 VanDerWaalsContact CD-NH1 3.28Å; E55-R144 IonicContact OE1-CZ 3.3Å; E55-R144 IonicContact OE1-NH1 3.18Å; E55-R144 PolarHBondContact OE1-NH1 2.68Å; E55-R144 IonicContact OE1-NH2 3.82Å; E55-R144 PolarHBondContact OE1-NH2 2.65Å; E55-R144 IonicContact OE2-CZ 3.65Å; E55-R144 IonicContact OE2-NH1 2.69Å; E55-R144 PolarHBondContact OE2-NH1 2.95Å; E55-R144 VanDerWaalsContact OE2-NH1 3.11Å |
| 56 | K | 96.3 | Very high | 97 | Very high | 191 Ų | 191 | 36.4 Ų | 36.4 | 83% | 0.83 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31 | -179.2 | -66.3 | 178.4 | -178 | 174.1 | 0 | 112.2 | S54 G58 | S54-K56 VanDerWaalsContact C-N 3.35Å; S54-K56 PolarHBondContact OG-N 2.88Å; K56-G58 VanDerWaalsContact C-N 3.25Å; K56-G58 PolarHBondContact O-N 2.85Å |
| 57 | E | 95.6 | Very high | 96.9 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 43% | 0.43 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 31.2 | -176.8 | -60.1 | -65.3 | 166.2 | 0 | 0 | 112.7 | Y32 R33 S54 E55 | Y32-E57 HydrophobicContact CD1-CB 3.72Å; Y32-E57 HydrophobicContact CD1-CG 4.45Å; Y32-E57 HydrophobicContact CD2-CB 3.57Å; Y32-E57 HydrophobicContact CD2-CG 3.49Å; Y32-E57 VanDerWaalsContact CD2-CG 3.49Å; Y32-E57 HydrophobicContact CE1-CB 4.22Å; Y32-E57 HydrophobicContact CE2-CB 4.09Å; Y32-E57 HydrophobicContact CE2-CG 3.75Å; Y32-E57 HydrophobicContact CG-CB 3.35Å; Y32-E57 HydrophobicContact CG-CG 3.86Å; R33-E57 WeakPolarHBondContact CG-O 3.39Å; R33-E57 PolarHBondContact NE-O 3.5Å; S54-E57 PolarHBondContact O-N 2.65Å; S54-E57 WeakPolarHBondContact OG-CG 3.32Å; S54-E57 PolarHBondContact OG-N 3.14Å; E55-E57 PolarHBondContact O-N 2.81Å |
| 58 | G | 94.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 30.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E55 K56 D60 Y109 | E55-G58 PolarHBondContact O-N 2.8Å; K56-G58 VanDerWaalsContact C-N 3.25Å; K56-G58 PolarHBondContact O-N 2.85Å; G58-D60 PolarHBondContact O-N 2.95Å; G58-Y109 PolarHBondContact O-OH 2.97Å |
| 59 | S | 96.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 49.2 | 58.7 | -175.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | S54 E55 R170 | S54-S59 VanDerWaalsContact O-CA 3.28Å; S54-S59 WeakPolarHBondContact O-CA 3.11Å; S54-S59 PolarHBondContact O-N 3.23Å; E55-S59 PolarHBondContact O-N 3.24Å; S59-R170 VanDerWaalsContact CB-CB 3.43Å; S59-R170 VanDerWaalsContact CB-O 3.28Å; S59-R170 WeakPolarHBondContact CB-O 3.21Å; S59-R170 VanDerWaalsContact O-O 3.1Å |
| 60 | D | 97.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164.6 | -171.3 | -170.5 | 35.5 | 0 | 0 | 0 | 111.7 | Y32 R33 S54 G58 Y109 R116 | Y32-D60 WeakPolarHBondContact CA-OD2 3.27Å; Y32-D60 HydrophobicContact CD1-CB 4.16Å; Y32-D60 WeakPolarHBondContact CE1-O 3.22Å; R33-D60 PolarHBondContact N-OD2 3.35Å; S54-D60 PolarHBondContact N-O 2.87Å; S54-D60 PolarHBondContact O-N 3.13Å; S54-D60 VanDerWaalsContact O-N 3.13Å; G58-D60 PolarHBondContact O-N 2.95Å; D60-Y109 HydrophobicContact CB-CD2 4.22Å; D60-Y109 HydrophobicContact CB-CE2 3.79Å; D60-R116 VanDerWaalsContact CG-NH2 3.31Å; D60-R116 IonicContact OD1-CZ 2.65Å; D60-R116 VanDerWaalsContact OD1-CZ 3.3Å; D60-R116 IonicContact OD1-NE 2.64Å; D60-R116 PolarHBondContact OD1-NE 2.91Å; D60-R116 IonicContact OD1-NH2 3.73Å; D60-R116 PolarHBondContact OD1-NH2 3.42Å; D60-R116 IonicContact OD2-CZ 3.95Å; D60-R116 IonicContact OD2-NE 3.3Å; D60-R116 IonicContact OD2-NH2 3.71Å; D60-R116 PolarHBondContact OD2-NH2 2.66Å |
| 61 | R | 97.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139 | -177.8 | -68.8 | 178 | 175.9 | -85.8 | -11.3 | 112.6 | N30 S51 Y52 F53 W63 R116 E145 D171 | N30-R61 PolarHBondContact ND2-O 3.25Å; S51-R61 PolarHBondContact OG-NH1 2.72Å; Y52-R61 CarbonylContact O-C 3.58Å; Y52-R61 WeakPolarHBondContact O-CA 3.42Å; F53-R61 HydrophobicContact CB-CG 4.13Å; F53-R61 HydrophobicContact CD2-CG 3.98Å; R61-W63 HydrophobicContact CB-CZ2 3.95Å; R61-W63 HydrophobicContact CG-CZ2 4.44Å; R61-W63 VanDerWaalsContact O-CD1 3.25Å; R61-W63 PolarHBondContact O-NE1 3.49Å; R61-R116 PolarHBondContact O-NH2 2.84Å; R61-E145 PolarHBondContact NH1-O 2.82Å; R61-E145 PolarHBondContact NH2-O 3.5Å; R61-D171 IonicContact CZ-OD1 2.77Å; R61-D171 IonicContact CZ-OD2 3.18Å; R61-D171 IonicContact NE-OD1 3.14Å; R61-D171 PolarHBondContact NE-OD1 2.9Å; R61-D171 IonicContact NE-OD2 3.56Å; R61-D171 VanDerWaalsContact NH2-CG 3.25Å; R61-D171 IonicContact NH2-OD1 3.05Å; R61-D171 PolarHBondContact NH2-OD1 3.25Å; R61-D171 VanDerWaalsContact NH2-OD1 3.13Å; R61-D171 IonicContact NH2-OD2 2.91Å; R61-D171 PolarHBondContact NH2-OD2 3.44Å |
| 62 | L | 97.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 148.7 | 157.5 | -56.2 | 172.3 | 0 | 0 | 0 | 108.6 | H23 W28 N30 Y32 S51 Y52 | H23-L62 VanDerWaalsContact NE2-CD1 3.3Å; H23-L62 WeakPolarHBondContact NE2-CD1 3.1Å; W28-L62 HydrophobicContact CD2-CB 3.62Å; W28-L62 HydrophobicContact CD2-CD1 4.16Å; W28-L62 HydrophobicContact CD2-CG 4.49Å; W28-L62 HydrophobicContact CE3-CB 3.36Å; W28-L62 HydrophobicContact CG-CB 4.12Å; W28-L62 HydrophobicContact CG-CD1 4.21Å; W28-L62 HydrophobicContact CZ3-CB 3.88Å; N30-L62 WeakPolarHBondContact O-CD2 2.96Å; Y32-L62 HydrophobicContact CD1-CD2 4.05Å; Y32-L62 HydrophobicContact CD1-CG 4.1Å; Y32-L62 HydrophobicContact CD2-CD2 3.99Å; Y32-L62 HydrophobicContact CD2-CG 4.38Å; Y32-L62 HydrophobicContact CE1-CD1 4.26Å; Y32-L62 HydrophobicContact CE1-CD2 4.1Å; Y32-L62 HydrophobicContact CE1-CG 3.65Å; Y32-L62 HydrophobicContact CE2-CD1 3.85Å; Y32-L62 HydrophobicContact CE2-CD2 4.05Å; Y32-L62 HydrophobicContact CE2-CG 3.97Å; Y32-L62 HydrophobicContact CG-CD2 4Å; Y32-L62 HydrophobicContact CG-CG 4.45Å; S51-L62 CarbonylContact C-O 3.59Å; S51-L62 WeakPolarHBondContact CA-O 3.47Å; S51-L62 WeakPolarHBondContact CB-O 3.48Å; Y52-L62 PolarHBondContact N-O 2.84Å; Y52-L62 PolarHBondContact O-N 3.05Å |
| 63 | W | 98 | Very high | 94.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.2 | -178.8 | -64.7 | 84.5 | 0 | 0 | 0 | 111.7 | W28 V29 N30 F36 I49 R50 R61 F65 W118 W174 | W28-W63 CarbonylContact C-O 3.56Å; W28-W63 WeakPolarHBondContact CA-O 3.3Å; W28-W63 VanDerWaalsContact CE3-C 3.41Å; V29-W63 HydrophobicContact CG2-CB 4.23Å; V29-W63 WeakPolarHBondContact CG2-O 3.42Å; V29-W63 PolarHBondContact N-O 2.96Å; N30-W63 WeakPolarHBondContact OD1-CB 2.97Å; N30-W63 PolarHBondContact OD1-N 2.92Å; F36-W63 HydrophobicContact CE1-CB 3.93Å; F36-W63 AromaticContact CE1-CD1 3.59Å; F36-W63 AromaticContact CE1-CG 3.81Å; F36-W63 HydrophobicContact CE1-CG 3.81Å; F36-W63 HydrophobicContact CZ-CB 4.01Å; F36-W63 AromaticContact CZ-CG 3.97Å; F36-W63 HydrophobicContact CZ-CG 3.97Å; I49-W63 HydrophobicContact CG2-CE3 3.87Å; I49-W63 HydrophobicContact CG2-CZ3 3.77Å; R50-W63 WeakPolarHBondContact O-CA 3.47Å; R61-W63 HydrophobicContact CB-CZ2 3.95Å; R61-W63 HydrophobicContact CG-CZ2 4.44Å; R61-W63 VanDerWaalsContact O-CD1 3.25Å; R61-W63 PolarHBondContact O-NE1 3.49Å; W63-F65 HydrophobicContact CB-CE2 3.73Å; W63-F65 HydrophobicContact CB-CZ 3.86Å; W63-F65 HydrophobicContact CD2-CZ 4.43Å; W63-F65 HydrophobicContact CE3-CE1 4.3Å; W63-F65 HydrophobicContact CE3-CZ 4.07Å; W63-F65 HydrophobicContact CG-CZ 4.36Å; W63-W118 AromaticContact CD2-CH2 3.91Å; W63-W118 HydrophobicContact CD2-CH2 3.91Å; W63-W118 HydrophobicContact CD2-CZ3 4.49Å; W63-W118 AromaticContact CE2-CH2 3.34Å; W63-W118 HydrophobicContact CE3-CH2 4.47Å; W63-W118 HydrophobicContact CG-CH2 4.43Å; W63-W118 HydrophobicContact CH2-CH2 4.05Å; W63-W118 HydrophobicContact CH2-CZ2 4.46Å; W63-W118 AromaticContact CZ2-CH2 3.42Å; W63-W118 HydrophobicContact CZ2-CH2 3.42Å; W63-W118 VanDerWaalsContact CZ2-CH2 3.42Å; W63-W118 AromaticContact CZ2-CZ2 3.74Å; W63-W118 HydrophobicContact CZ2-CZ2 3.74Å; W63-W118 HydrophobicContact CZ2-CZ3 4.45Å; W63-W118 AromaticContact NE1-CH2 3.55Å; W63-W174 AromaticContact CH2-CE2 3.88Å; W63-W174 HydrophobicContact CH2-CZ2 4.16Å; W63-W174 AromaticContact CH2-NE1 3.51Å |
| 64 | S | 97.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.8 | 173.4 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | M26 R50 | M26-S64 WeakPolarHBondContact O-CB 3.46Å; M26-S64 PolarHBondContact O-OG 2.7Å; R50-S64 PolarHBondContact N-O 2.89Å; R50-S64 PolarHBondContact O-N 3.13Å |
| 65 | F | 97.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.5 | -169.2 | -64.3 | -67.2 | 0 | 0 | 0 | 109.3 | V29 F36 F38 L46 A48 I49 W63 V105 | V29-F65 HydrophobicContact CG1-CD2 4.12Å; V29-F65 HydrophobicContact CG2-CD2 3.8Å; V29-F65 HydrophobicContact CG2-CE2 3.7Å; F36-F65 HydrophobicContact CD2-CE2 4.16Å; F36-F65 AromaticContact CE2-CE2 3.42Å; F36-F65 HydrophobicContact CE2-CE2 3.42Å; F36-F65 VanDerWaalsContact CE2-CE2 3.42Å; F36-F65 AromaticContact CE2-CZ 3.79Å; F36-F65 HydrophobicContact CE2-CZ 3.79Å; F36-F65 AromaticContact CZ-CE2 3.68Å; F36-F65 HydrophobicContact CZ-CE2 3.68Å; F36-F65 AromaticContact CZ-CZ 3.77Å; F36-F65 HydrophobicContact CZ-CZ 3.77Å; F38-F65 HydrophobicContact CB-CD2 3.92Å; F38-F65 HydrophobicContact CB-CE2 4.31Å; F38-F65 HydrophobicContact CD1-CB 3.6Å; F38-F65 AromaticContact CD1-CD2 3.83Å; F38-F65 HydrophobicContact CD1-CD2 3.83Å; F38-F65 AromaticContact CD1-CG 3.84Å; F38-F65 HydrophobicContact CD1-CG 3.84Å; F38-F65 HydrophobicContact CD2-CB 4.37Å; F38-F65 HydrophobicContact CD2-CD2 4.3Å; F38-F65 HydrophobicContact CE1-CB 3.33Å; F38-F65 HydrophobicContact CE1-CD2 4.44Å; F38-F65 HydrophobicContact CE1-CG 4.1Å; F38-F65 HydrophobicContact CE2-CB 4.13Å; F38-F65 HydrophobicContact CG-CB 4.11Å; F38-F65 AromaticContact CG-CD2 3.74Å; F38-F65 HydrophobicContact CG-CD2 3.74Å; F38-F65 HydrophobicContact CG-CG 4.21Å; F38-F65 HydrophobicContact CZ-CB 3.61Å; L46-F65 HydrophobicContact CD1-CB 3.75Å; L46-F65 HydrophobicContact CD1-CD1 3.83Å; L46-F65 HydrophobicContact CD1-CG 4.1Å; L46-F65 HydrophobicContact CD2-CD1 4.3Å; A48-F65 WeakPolarHBondContact O-CA 3.23Å; I49-F65 HydrophobicContact CB-CD1 4.32Å; I49-F65 HydrophobicContact CB-CE1 4.38Å; I49-F65 HydrophobicContact CG1-CD1 3.96Å; I49-F65 HydrophobicContact CG1-CE1 4.14Å; I49-F65 HydrophobicContact CG2-CD1 4.01Å; I49-F65 HydrophobicContact CG2-CE1 3.65Å; W63-F65 HydrophobicContact CB-CE2 3.73Å; W63-F65 HydrophobicContact CB-CZ 3.86Å; W63-F65 HydrophobicContact CD2-CZ 4.43Å; W63-F65 HydrophobicContact CE3-CE1 4.3Å; W63-F65 HydrophobicContact CE3-CZ 4.07Å; W63-F65 HydrophobicContact CG-CZ 4.36Å; F65-V105 HydrophobicContact CD1-CG2 4.45Å; F65-V105 HydrophobicContact CE1-CB 4.28Å; F65-V105 HydrophobicContact CE1-CG2 3.88Å; F65-V105 HydrophobicContact CE2-CB 4.5Å; F65-V105 HydrophobicContact CZ-CB 4Å; F65-V105 HydrophobicContact CZ-CG1 4.28Å; F65-V105 HydrophobicContact CZ-CG2 4.12Å |
| 66 | E | 97 | Very high | 92.8 | Very high | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144 | 172.4 | -58.9 | 179.7 | -177.8 | 0 | 0 | 110.6 | V47 A48 R50 | V47-E66 HydrophobicContact CG2-CB 4.22Å; V47-E66 WeakPolarHBondContact CG2-O 3.46Å; V47-E66 PolarHBondContact N-O 3.35Å; A48-E66 HydrophobicContact CB-CB 3.87Å; A48-E66 HydrophobicContact CB-CG 4.11Å; A48-E66 PolarHBondContact N-O 2.71Å; A48-E66 PolarHBondContact O-N 2.69Å; R50-E66 IonicContact CZ-OE1 2.69Å; R50-E66 IonicContact NH1-OE1 3.55Å; R50-E66 PolarHBondContact NH1-OE1 2.77Å; R50-E66 IonicContact NH2-OE1 3.67Å |
| 67 | C | 96.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 151.8 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 109.9 | F38 C40 E44 L45 | F38-C67 VanDerWaalsContact CE1-SG 3.51Å; F38-C67 VanDerWaalsContact CZ-SG 3.54Å; C40-C67 WeakPolarHBondContact CA-SG 3.44Å; C40-C67 HydrophobicContact CB-CB 3.66Å; C40-C67 WeakPolarHBondContact CB-SG 3.32Å; C40-C67 WeakPolarHBondContact SG-CB 3.28Å; C40-C67 CovalentContact SG-SG 2.03Å; C40-C67 PolarHBondContact SG-SG 3.09Å; E44-C67 HydrophobicContact CB-CB 4.05Å; E44-C67 WeakPolarHBondContact OE2-CB 3.45Å; L45-C67 CarbonylContact O-C 3.46Å; L45-C67 VanDerWaalsContact O-CA 3.27Å; L45-C67 WeakPolarHBondContact O-CA 3.47Å |
| 68 | Q | 95 | Very high | 92.1 | Very high | 108 Ų | 108 | 42.5 Ų | 42.5 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.4 | 172.7 | -165.4 | -177.3 | -52 | 0 | 0 | 109.9 | E44 L45 V47 | E44-Q68 VanDerWaalsContact CA-O 3.29Å; E44-Q68 WeakPolarHBondContact CA-O 3.37Å; L45-Q68 PolarHBondContact N-O 2.79Å; L45-Q68 PolarHBondContact O-N 3.44Å; V47-Q68 HydrophobicContact CB-CB 4.31Å; V47-Q68 HydrophobicContact CG1-CB 3.51Å; V47-Q68 HydrophobicContact CG2-CB 3.85Å |
| 69 | A | 92.9 | Very high | 92 | Very high | 59 Ų | 59 | 45.4 Ų | 45.4 | 49% | 0.488 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | E44 | E44-A69 HydrophobicContact CG-CB 4.38Å |
| 70 | V | 88.9 | Confident | 92 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -71 | 151 | 171.7 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | G43 L45 L74 Y125 F157 | G43-V70 PolarHBondContact O-N 2.88Å; L45-V70 HydrophobicContact CB-CG1 4.38Å; L45-V70 HydrophobicContact CD1-CG1 3.44Å; L45-V70 VanDerWaalsContact CD1-CG1 3.44Å; L45-V70 HydrophobicContact CG-CG1 3.65Å; V70-L74 HydrophobicContact CB-CB 4.45Å; V70-L74 HydrophobicContact CB-CD1 4.17Å; V70-L74 HydrophobicContact CG2-CB 4.33Å; V70-Y125 HydrophobicContact CB-CE1 4.5Å; V70-Y125 HydrophobicContact CG1-CE1 4.21Å; V70-Y125 HydrophobicContact CG2-CE1 3.73Å; V70-F157 HydrophobicContact CG1-CE1 4.33Å |
| 71 | P | 87.5 | Confident | 91.9 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.8 | 172.1 | -27.3 | 37.1 | 0 | 0 | 0 | 112 | N73 L74 Y154 | P71-N73 VanDerWaalsContact CB-OD1 3.27Å; P71-N73 WeakPolarHBondContact CB-OD1 3.41Å; P71-N73 PolarHBondContact O-N 2.99Å; P71-L74 WeakPolarHBondContact O-CB 3.21Å; P71-L74 PolarHBondContact O-N 3.13Å; P71-Y154 WeakPolarHBondContact CG-OH 3.47Å |
| 72 | D | 85.5 | Confident | 91.9 | Very high | 163 Ų | 163 | 51.7 Ų | 51.7 | 87% | 0.872 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -51.1 | -31.5 | -176.2 | -63 | -21 | 0 | 0 | 0 | 113.7 | L74 G75 | D72-L74 PolarHBondContact O-N 3.34Å; D72-G75 PolarHBondContact O-N 3.18Å; D72-G75 VanDerWaalsContact O-N 3.11Å |
| 73 | N | 83.1 | Confident | 91.7 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -68 | -18 | -179.7 | 73.1 | -32 | 0 | 0 | 0 | 113.2 | P71 R128 | P71-N73 VanDerWaalsContact CB-OD1 3.27Å; P71-N73 WeakPolarHBondContact CB-OD1 3.41Å; P71-N73 PolarHBondContact O-N 2.99Å; N73-R128 PolarHBondContact O-NH1 2.94Å; N73-R128 PolarHBondContact O-NH2 2.78Å |
| 74 | L | 83.8 | Confident | 91.3 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -81 | -18.5 | 173.4 | -66.4 | -176.2 | 0 | 0 | 0 | 112.9 | V70 P71 D72 R128 F157 L181 | V70-L74 HydrophobicContact CB-CB 4.45Å; V70-L74 HydrophobicContact CB-CD1 4.17Å; V70-L74 HydrophobicContact CG2-CB 4.33Å; P71-L74 WeakPolarHBondContact O-CB 3.21Å; P71-L74 PolarHBondContact O-N 3.13Å; D72-L74 PolarHBondContact O-N 3.34Å; L74-R128 HydrophobicContact CD2-CG 4.05Å; L74-F157 HydrophobicContact CD1-CE1 4.21Å; L74-F157 HydrophobicContact CD1-CE2 3.88Å; L74-F157 HydrophobicContact CD1-CZ 3.49Å; L74-F157 VanDerWaalsContact CD1-CZ 3.49Å; L74-L181 HydrophobicContact CD1-CB 4.44Å; L74-L181 HydrophobicContact CD1-CD1 3.55Å; L74-L181 HydrophobicContact CD2-CB 3.86Å; L74-L181 HydrophobicContact CD2-CD1 3.87Å; L74-L181 HydrophobicContact CG-CD1 4.33Å |
| 75 | G | 83.3 | Confident | 91.1 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 33% | 0.33 | 34% | 0.338 | S | S | . | . | trans | 69.1 | -165.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D72 Y125 | D72-G75 PolarHBondContact O-N 3.18Å; D72-G75 VanDerWaalsContact O-N 3.11Å; G75-Y125 WeakPolarHBondContact O-CD1 3.46Å; G75-Y125 VanDerWaalsContact O-CE1 3.29Å; G75-Y125 WeakPolarHBondContact O-CE1 3.16Å | ||
| 76 | E | 86.6 | Confident | 90.8 | Very high | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | -87.1 | 149.8 | -177.8 | -65.9 | -62.9 | 147.4 | 0 | 0 | 112.5 | H42 S78 | H42-E76 IonicContact CE1-OE2 3.93Å; H42-E76 PolarHBondContact CE1-OE2 2.87Å; H42-E76 IonicContact ND1-OE2 2.76Å; H42-E76 PolarHBondContact ND1-OE2 3.37Å; H42-E76 VanDerWaalsContact ND1-OE2 3.14Å; E76-S78 PolarHBondContact O-N 2.82Å | ||
| 77 | P | 90.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 67 Ų | 67 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134 | 171.2 | 27.8 | -33.7 | 0 | 0 | 0 | 109.4 | C123 Y124 Y125 | P77-C123 HydrophobicContact CB-CB 4.03Å; P77-Y124 CarbonylContact C-O 3.44Å; P77-Y124 WeakPolarHBondContact CA-O 3.34Å; P77-Y125 HydrophobicContact CB-CE1 4.08Å; P77-Y125 HydrophobicContact CB-CE2 4.18Å; P77-Y125 HydrophobicContact CG-CE1 4.41Å |
| 78 | S | 87.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -24.3 | -175.2 | -66.2 | 0 | 0 | 0 | 0 | 113.8 | E76 Y124 K126 | E76-S78 PolarHBondContact O-N 2.82Å; S78-Y124 PolarHBondContact N-O 2.73Å; S78-K126 WeakPolarHBondContact OG-CB 3.31Å; S78-K126 WeakPolarHBondContact OG-CD 3.32Å; S78-K126 WeakPolarHBondContact OG-CG 3.23Å |
| 79 | D | 92.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 145.6 | -179.1 | -169.9 | 15.7 | 0 | 0 | 0 | 108.5 | R98 C123 Y124 | D79-R98 IonicContact OD2-CZ 2.66Å; D79-R98 IonicContact OD2-NH1 3.7Å; D79-R98 PolarHBondContact OD2-NH1 3.48Å; D79-R98 IonicContact OD2-NH2 3.32Å; D79-C123 CarbonylContact O-C 3.48Å; D79-C123 WeakPolarHBondContact O-CA 3.48Å; D79-Y124 PolarHBondContact O-N 2.82Å |
| 80 | C | 95.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.2 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | Y121 C122 C123 | C80-Y121 HydrophobicContact CB-CE1 3.91Å; C80-Y121 HydrophobicContact CB-CE2 3.98Å; C80-Y121 VanDerWaalsContact CB-CZ 3.41Å; C80-Y121 WeakPolarHBondContact CB-OH 3.4Å; C80-C122 CarbonylContact C-O 3.42Å; C80-C122 WeakPolarHBondContact CA-O 3.41Å; C80-C122 WeakPolarHBondContact CB-O 3.29Å; C80-C123 HydrophobicContact CB-CB 4.14Å; C80-C123 WeakPolarHBondContact CB-SG 3.27Å; C80-C123 VanDerWaalsContact SG-CA 3.56Å; C80-C123 WeakPolarHBondContact SG-CB 2.98Å; C80-C123 CovalentContact SG-SG 2.05Å; C80-C123 PolarHBondContact SG-SG 3.1Å |
| 81 | W | 96.6 | Very high | 90.8 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.3 | -175.7 | 67.2 | 98.7 | 0 | 0 | 0 | 111.4 | T97 R98 Y121 C122 | W81-T97 WeakPolarHBondContact CH2-O 3.05Å; W81-T97 WeakPolarHBondContact CZ2-O 3.41Å; W81-T97 WeakPolarHBondContact CZ2-OG1 3.45Å; W81-T97 PolarHBondContact NE1-OG1 3.32Å; W81-R98 HydrophobicContact CH2-CB 4.14Å; W81-Y121 WeakPolarHBondContact O-CD2 3.48Å; W81-C122 HydrophobicContact CD2-CB 4.12Å; W81-C122 HydrophobicContact CH2-CB 4.17Å; W81-C122 HydrophobicContact CZ2-CB 3.7Å; W81-C122 PolarHBondContact N-O 2.84Å; W81-C122 PolarHBondContact O-N 2.78Å |
| 82 | W | 96.6 | Very high | 91.1 | Very high | 75 Ų | 75 | 69.9 Ų | 69.9 | 28% | 0.284 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.6 | 168.1 | -70.8 | 98.3 | 0 | 0 | 0 | 109.7 | N37 Q39 Q106 Q119 F120 Y121 | N37-W82 VanDerWaalsContact OD1-CH2 3.32Å; N37-W82 WeakPolarHBondContact OD1-CH2 3.33Å; N37-W82 VanDerWaalsContact OD1-CZ2 3.23Å; N37-W82 WeakPolarHBondContact OD1-CZ2 3.47Å; Q39-W82 HydrophobicContact CG-CH2 4.21Å; Q39-W82 HydrophobicContact CG-CZ2 3.94Å; W82-Q106 HydrophobicContact CE3-CB 4.21Å; W82-Q106 HydrophobicContact CH2-CB 3.63Å; W82-Q106 HydrophobicContact CZ3-CB 3.41Å; W82-Q106 VanDerWaalsContact CZ3-CB 3.41Å; W82-Q119 HydrophobicContact CB-CG 4.43Å; W82-Q119 HydrophobicContact CE3-CB 4.32Å; W82-Q119 HydrophobicContact CE3-CG 3.97Å; W82-F120 WeakPolarHBondContact CA-O 3.45Å; W82-Y121 AromaticContact CD1-CD2 3.98Å; W82-Y121 AromaticContact CD2-CD2 3.83Å; W82-Y121 HydrophobicContact CD2-CD2 3.83Å; W82-Y121 HydrophobicContact CD2-CG 4.44Å; W82-Y121 AromaticContact CE2-CD2 3.61Å; W82-Y121 HydrophobicContact CE3-CD2 4.4Å; W82-Y121 HydrophobicContact CG-CD2 4.07Å; W82-Y121 HydrophobicContact CH2-CG 4.42Å; W82-Y121 HydrophobicContact CZ2-CD2 4.04Å; W82-Y121 HydrophobicContact CZ2-CG 4.22Å; W82-Y121 AromaticContact NE1-CD2 3.68Å |
| 83 | D | 93.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | trans | -73.9 | -178.7 | 173.5 | -164.1 | 26 | 0 | 0 | 0 | 111.5 | S94 Q119 F120 | D83-S94 PolarHBondContact OD2-OG 3.35Å; D83-Q119 VanDerWaalsContact O-CD 3.24Å; D83-Q119 WeakPolarHBondContact O-CG 3.35Å; D83-Q119 PolarHBondContact O-NE2 3.26Å; D83-F120 PolarHBondContact N-O 2.83Å | ||
| 84 | D | 90.4 | Very high | 92.1 | Very high | 133 Ų | 133 | 61.8 Ų | 61.8 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 142.5 | 177.3 | -73.1 | -33.6 | 0 | 0 | 0 | 113.2 | ||
| 85 | I | 91.8 | Very high | 92.7 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 138.8 | 175 | -165.8 | 170.3 | 0 | 0 | 0 | 110.9 | E117 W118 Q119 | I85-E117 HydrophobicContact CD1-CB 3.92Å; I85-E117 HydrophobicContact CG1-CB 4.08Å; I85-W118 WeakPolarHBondContact CA-O 3.47Å; I85-Q119 HydrophobicContact CB-CB 4.47Å; I85-Q119 HydrophobicContact CG1-CB 4.47Å |
| 86 | N | 92.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 173.7 | 174 | 88.4 | -41.4 | 0 | 0 | 0 | 112.6 | W92 E117 W118 | N86-W92 HydrophobicContact CB-CB 3.78Å; N86-W92 HydrophobicContact CB-CD2 3.8Å; N86-W92 HydrophobicContact CB-CG 3.31Å; N86-E117 VanDerWaalsContact OD1-C 3.32Å; N86-E117 WeakPolarHBondContact OD1-CA 3.38Å; N86-W118 PolarHBondContact N-O 3.06Å; N86-W118 PolarHBondContact OD1-N 2.88Å; N86-W118 PolarHBondContact OD1-O 2.82Å |
| 87 | R | 93.2 | Very high | 93.5 | Very high | 195 Ų | 195 | 59.5 Ų | 59.5 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 133.9 | 167.3 | -66.1 | -177.9 | 179.4 | -162.2 | -0.7 | 110 | L90 | R87-L90 HydrophobicContact CB-CD1 4.23Š|
| 88 | A | 94.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 11% | 0.107 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 150.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L90 F110 T113 D115 E117 | A88-L90 VanDerWaalsContact C-N 3.25Å; A88-L90 PolarHBondContact O-N 3.24Å; A88-F110 HydrophobicContact CB-CB 3.68Å; A88-F110 HydrophobicContact CB-CD1 3.81Å; A88-F110 HydrophobicContact CB-CG 4.03Å; A88-T113 WeakPolarHBondContact CB-OG1 3.27Å; A88-D115 HydrophobicContact CB-CB 4.31Å; A88-E117 HydrophobicContact CB-CG 4Å |
| 89 | G | 94 | Very high | 93.4 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D115 F165 | G89-D115 WeakPolarHBondContact CA-OD2 3.49Å; G89-D115 PolarHBondContact N-OD2 2.94Å; G89-F165 WeakPolarHBondContact O-CD1 3.14Å |
| 90 | L | 93.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 55% | 0.55 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -112.5 | 156.3 | 179.2 | -60.5 | -178.4 | 0 | 0 | 0 | 111.7 | R87 A88 R172 | R87-L90 HydrophobicContact CB-CD1 4.23Å; A88-L90 VanDerWaalsContact C-N 3.25Å; A88-L90 PolarHBondContact O-N 3.24Å; L90-R172 PolarHBondContact O-NH1 2.78Å; L90-R172 PolarHBondContact O-NH2 2.78Å |
| 91 | E | 93.8 | Very high | 93.4 | Very high | 136 Ų | 136 | 56.1 Ų | 56.1 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | trans | -59 | 144.4 | 165.1 | -61 | -169 | 166 | 0 | 0 | 109.9 | T163 | E91-T163 WeakPolarHBondContact CA-O 3.37Å; E91-T163 WeakPolarHBondContact CB-O 3.2Å | ||
| 92 | W | 94.2 | Very high | 93.5 | Very high | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.087 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 130.2 | 180 | 172.1 | 58.4 | 0 | 0 | 0 | 110 | N86 S94 W118 F120 Q162 T163 W174 | N86-W92 HydrophobicContact CB-CB 3.78Å; N86-W92 HydrophobicContact CB-CD2 3.8Å; N86-W92 HydrophobicContact CB-CG 3.31Å; W92-S94 VanDerWaalsContact CE2-CB 3.41Å; W92-W118 HydrophobicContact CD2-CB 4.36Å; W92-W118 HydrophobicContact CE3-CB 3.73Å; W92-W118 HydrophobicContact CE3-CG 4.26Å; W92-W118 HydrophobicContact CH2-CB 3.63Å; W92-W118 HydrophobicContact CZ2-CB 4.24Å; W92-W118 HydrophobicContact CZ3-CB 3.33Å; W92-W118 HydrophobicContact CZ3-CG 4.02Å; W92-F120 HydrophobicContact CH2-CD1 4.38Å; W92-F120 AromaticContact CH2-CD2 3.72Å; W92-F120 HydrophobicContact CH2-CD2 3.72Å; W92-F120 HydrophobicContact CH2-CE1 4.18Å; W92-F120 AromaticContact CH2-CE2 3.48Å; W92-F120 HydrophobicContact CH2-CE2 3.48Å; W92-F120 VanDerWaalsContact CH2-CE2 3.48Å; W92-F120 HydrophobicContact CH2-CG 4.16Å; W92-F120 AromaticContact CH2-CZ 3.74Å; W92-F120 HydrophobicContact CH2-CZ 3.74Å; W92-F120 HydrophobicContact CZ2-CD2 4.2Å; W92-F120 HydrophobicContact CZ2-CE2 4.23Å; W92-F120 AromaticContact CZ3-CE2 3.98Å; W92-F120 HydrophobicContact CZ3-CE2 3.98Å; W92-F120 AromaticContact CZ3-CZ 3.92Å; W92-F120 HydrophobicContact CZ3-CZ 3.92Å; W92-Q162 CarbonylContact O-C 3.57Å; W92-Q162 WeakPolarHBondContact O-CA 3.49Å; W92-T163 WeakPolarHBondContact CB-OG1 3.01Å; W92-T163 HydrophobicContact CE3-CG2 4.16Å; W92-T163 PolarHBondContact N-O 3.11Å; W92-T163 PolarHBondContact N-OG1 2.83Å; W92-T163 PolarHBondContact O-N 3.27Å; W92-T163 PolarHBondContact O-OG1 2.85Å; W92-T163 VanDerWaalsContact O-OG1 3.08Å; W92-W174 HydrophobicContact CE3-CH2 4.22Å; W92-W174 HydrophobicContact CE3-CZ3 4.23Å; W92-W174 AromaticContact CZ3-CH2 3.76Å; W92-W174 HydrophobicContact CZ3-CH2 3.76Å; W92-W174 AromaticContact CZ3-CZ3 3.68Å; W92-W174 HydrophobicContact CZ3-CZ3 3.68Å |
| 93 | T | 95.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.4 | 169.1 | -59.2 | 0 | 0 | 0 | 0 | 107.7 | A161 Q162 | T93-A161 WeakPolarHBondContact CA-O 3.32Å; T93-Q162 HydrophobicContact CG2-CB 4.28Å; T93-Q162 WeakPolarHBondContact OG1-CG 3.04Å |
| 94 | S | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.9 | 171.6 | 160.5 | 0 | 0 | 0 | 0 | 108.8 | D83 W92 F120 G160 A161 | D83-S94 PolarHBondContact OD2-OG 3.35Å; W92-S94 VanDerWaalsContact CE2-CB 3.41Å; S94-F120 WeakPolarHBondContact OG-CD2 3.18Å; S94-G160 CarbonylContact O-C 3.6Å; S94-G160 VanDerWaalsContact O-CA 3.28Å; S94-G160 WeakPolarHBondContact O-CA 3.47Å; S94-A161 PolarHBondContact N-O 2.05Å; S94-A161 PolarHBondContact O-N 3.14Å |
| 95 | T | 95.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 28% | 0.282 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 126.3 | 173.3 | -61.8 | 0 | 0 | 0 | 0 | 106.5 | T97 R159 I177 | T95-T97 PolarHBondContact O-N 3.26Å; T95-T97 VanDerWaalsContact O-N 3.13Å; T95-R159 HydrophobicContact CG2-CB 4.42Å; T95-R159 HydrophobicContact CG2-CG 3.72Å; T95-R159 VanDerWaalsContact CG2-NE 3.35Å; T95-I177 WeakPolarHBondContact OG1-CD1 3.47Å |
| 96 | C | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -52 | 123 | 178.6 | -70.9 | 0 | 0 | 0 | 0 | 110.4 | G100 C122 R159 | C96-G100 WeakPolarHBondContact CB-O 3.39Å; C96-C122 WeakPolarHBondContact CA-SG 3.28Å; C96-C122 HydrophobicContact CB-CB 3.66Å; C96-C122 WeakPolarHBondContact CB-SG 3.42Å; C96-C122 WeakPolarHBondContact SG-CB 3.05Å; C96-C122 CovalentContact SG-SG 2.04Å; C96-C122 PolarHBondContact SG-SG 3.08Å; C96-R159 PolarHBondContact N-O 2.74Å | ||
| 97 | T | 90.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -67.6 | 171.7 | 177.4 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | W81 T95 N99 G100 | W81-T97 WeakPolarHBondContact CH2-O 3.05Å; W81-T97 WeakPolarHBondContact CZ2-O 3.41Å; W81-T97 WeakPolarHBondContact CZ2-OG1 3.45Å; W81-T97 PolarHBondContact NE1-OG1 3.32Å; T95-T97 PolarHBondContact O-N 3.26Å; T95-T97 VanDerWaalsContact O-N 3.13Å; T97-N99 PolarHBondContact O-N 3.31Å; T97-G100 PolarHBondContact O-N 3.01Å |
| 98 | R | 88.5 | Confident | 94.9 | Very high | 94 Ų | 94 | 38 Ų | 38 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.8 | 178 | -62.3 | 175.1 | 61.1 | -154.4 | -4.8 | 113.2 | D79 W81 G100 Y124 E189 | D79-R98 IonicContact OD2-CZ 2.66Å; D79-R98 IonicContact OD2-NH1 3.7Å; D79-R98 PolarHBondContact OD2-NH1 3.48Å; D79-R98 IonicContact OD2-NH2 3.32Å; W81-R98 HydrophobicContact CH2-CB 4.14Å; R98-G100 PolarHBondContact O-N 2.86Å; R98-G100 VanDerWaalsContact O-N 3.07Å; R98-Y124 WeakPolarHBondContact O-CD2 3.46Å; R98-Y124 WeakPolarHBondContact O-CE2 3.27Å; R98-E189 IonicContact NE-OE1 3.13Å |
| 99 | N | 88.3 | Confident | 95.1 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 19.8 | -178.1 | -67.1 | -27.5 | 0 | 0 | 0 | 115 | T97 Y124 C129 P130 F188 | T97-N99 PolarHBondContact O-N 3.31Å; N99-Y124 HydrophobicContact CB-CE2 4.33Å; N99-C129 PolarHBondContact ND2-SG 3.15Å; N99-P130 HydrophobicContact CB-CG 4.04Å; N99-P130 WeakPolarHBondContact OD1-CD 3.38Å; N99-F188 PolarHBondContact ND2-O 3.5Å |
| 100 | G | 92.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -68.1 | 164.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C96 T97 R98 C123 R159 | C96-G100 WeakPolarHBondContact CB-O 3.39Å; T97-G100 PolarHBondContact O-N 3.01Å; R98-G100 PolarHBondContact O-N 2.86Å; R98-G100 VanDerWaalsContact O-N 3.07Å; G100-C123 CarbonylContact C-O 3.52Å; G100-C123 WeakPolarHBondContact CA-O 3.22Å; G100-R159 WeakPolarHBondContact O-CG 3.14Å | ||
| 101 | L | 96 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.2 | 177.4 | -62.6 | 179.8 | 0 | 0 | 0 | 110.4 | L45 A103 C122 C123 Y125 F157 R159 L181 | L45-L101 HydrophobicContact CD1-CB 3.84Å; L45-L101 HydrophobicContact CD1-CD1 3.38Å; L45-L101 HydrophobicContact CD1-CG 4.27Å; L45-L101 HydrophobicContact CD2-CB 3.87Å; L101-A103 PolarHBondContact O-N 3.3Å; L101-C122 CarbonylContact O-C 3.58Å; L101-C122 WeakPolarHBondContact O-CA 3.39Å; L101-C123 PolarHBondContact N-O 2.64Å; L101-C123 PolarHBondContact O-N 3.35Å; L101-Y125 HydrophobicContact CD1-CD2 4.41Å; L101-F157 HydrophobicContact CD1-CB 3.68Å; L101-F157 HydrophobicContact CD1-CD1 4.26Å; L101-F157 HydrophobicContact CD1-CD2 4.28Å; L101-F157 HydrophobicContact CD1-CG 3.81Å; L101-F157 HydrophobicContact CD2-CB 3.81Å; L101-F157 HydrophobicContact CG-CB 4.31Å; L101-R159 HydrophobicContact CD2-CB 4.41Å; L101-R159 HydrophobicContact CD2-CG 4.42Å; L101-L181 HydrophobicContact CD1-CD1 3.38Å; L101-L181 HydrophobicContact CD1-CD2 4.18Å; L101-L181 HydrophobicContact CD1-CG 3.95Å; L101-L181 HydrophobicContact CD2-CD2 4.42Å; L101-L181 HydrophobicContact CG-CD1 4.48Å |
| 102 | V | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.8 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L46 G104 F120 I158 | L46-V102 HydrophobicContact CB-CG1 4.37Å; L46-V102 WeakPolarHBondContact CB-O 3.42Å; L46-V102 HydrophobicContact CD2-CG1 3.94Å; L46-V102 PolarHBondContact N-O 3.46Å; L46-V102 VanDerWaalsContact N-O 3.13Å; V102-G104 WeakPolarHBondContact CG1-O 3.46Å; V102-F120 HydrophobicContact CG1-CB 4.43Å; V102-F120 HydrophobicContact CG1-CD1 3.83Å; V102-F120 HydrophobicContact CG1-CE1 4.35Å; V102-F120 HydrophobicContact CG1-CG 4.21Å; V102-F120 HydrophobicContact CG2-CB 4.37Å; V102-F120 HydrophobicContact CG2-CD1 4.4Å; V102-F120 HydrophobicContact CG2-CD2 4.21Å; V102-F120 HydrophobicContact CG2-CG 4.09Å; V102-I158 HydrophobicContact CB-CB 4.22Å; V102-I158 HydrophobicContact CB-CG2 3.99Å; V102-I158 HydrophobicContact CG2-CG2 3.87Å; V102-I158 PolarHBondContact N-O 3.5Å |
| 103 | A | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C40 L45 L101 Y121 C123 | C40-A103 VanDerWaalsContact CB-O 3.27Å; C40-A103 WeakPolarHBondContact CB-O 3.48Å; C40-A103 PolarHBondContact N-O 2.91Å; C40-A103 PolarHBondContact SG-O 3.27Å; C40-A103 VanDerWaalsContact SG-O 3.42Å; L45-A103 HydrophobicContact CD2-CB 3.87Å; L101-A103 PolarHBondContact O-N 3.3Å; A103-Y121 HydrophobicContact CB-CD1 3.97Å; A103-Y121 HydrophobicContact CB-CE1 4.46Å; A103-Y121 PolarHBondContact N-O 2.83Å; A103-C123 HydrophobicContact CB-CB 4.02Å; A103-C123 VanDerWaalsContact CB-SG 3.57Å |
| 104 | G | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 169.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | F38 V102 Y121 | F38-G104 CarbonylContact O-C 3.54Å; F38-G104 WeakPolarHBondContact O-CA 3.28Å; V102-G104 WeakPolarHBondContact CG1-O 3.46Å; G104-Y121 PolarHBondContact N-O 3.22Å; G104-Y121 PolarHBondContact O-N 3.13Å |
| 105 | V | 98.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.1 | -177 | -168.7 | 0 | 0 | 0 | 0 | 108.8 | F36 F38 L46 F65 W118 F120 | F36-V105 HydrophobicContact CE2-CB 4.23Å; F36-V105 HydrophobicContact CE2-CG1 4.18Å; F36-V105 WeakPolarHBondContact CE2-O 3.29Å; F36-V105 HydrophobicContact CZ-CG1 4.5Å; F38-V105 PolarHBondContact N-O 2.84Å; F38-V105 PolarHBondContact O-N 2.87Å; L46-V105 HydrophobicContact CD2-CG2 3.85Å; F65-V105 HydrophobicContact CD1-CG2 4.45Å; F65-V105 HydrophobicContact CE1-CB 4.28Å; F65-V105 HydrophobicContact CE1-CG2 3.88Å; F65-V105 HydrophobicContact CE2-CB 4.5Å; F65-V105 HydrophobicContact CZ-CB 4Å; F65-V105 HydrophobicContact CZ-CG1 4.28Å; F65-V105 HydrophobicContact CZ-CG2 4.12Å; V105-W118 HydrophobicContact CG1-CE3 3.87Å; V105-W118 HydrophobicContact CG1-CZ3 3.98Å; V105-F120 HydrophobicContact CB-CD1 4.5Å; V105-F120 HydrophobicContact CG1-CD1 4.25Å; V105-F120 HydrophobicContact CG1-CE1 4.21Å; V105-F120 HydrophobicContact CG2-CD1 3.97Å; V105-F120 HydrophobicContact CG2-CE1 4.01Å |
| 106 | Q | 98.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.3 | 167.3 | 175.6 | 177.8 | 110.6 | 0 | 0 | 108.8 | F36 N37 W82 W118 Q119 | F36-Q106 WeakPolarHBondContact O-CA 3.34Å; F36-Q106 WeakPolarHBondContact O-CG 3.09Å; N37-Q106 HydrophobicContact CB-CG 4.42Å; N37-Q106 PolarHBondContact ND2-NE2 2.8Å; N37-Q106 VanDerWaalsContact ND2-NE2 3.15Å; W82-Q106 HydrophobicContact CE3-CB 4.21Å; W82-Q106 HydrophobicContact CH2-CB 3.63Å; W82-Q106 HydrophobicContact CZ3-CB 3.41Å; W82-Q106 VanDerWaalsContact CZ3-CB 3.41Å; Q106-W118 WeakPolarHBondContact O-CA 3.48Å; Q106-Q119 HydrophobicContact CB-CB 4.39Å; Q106-Q119 PolarHBondContact N-O 3.42Å; Q106-Q119 PolarHBondContact O-N 2.85Å |
| 107 | S | 97.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | G35 F36 R116 E117 W118 | G35-S107 CarbonylContact C-O 3.56Å; G35-S107 WeakPolarHBondContact CA-O 3.3Å; F36-S107 PolarHBondContact N-O 3.21Å; F36-S107 PolarHBondContact O-N 3.28Å; S107-R116 WeakPolarHBondContact OG-CB 3.13Å; S107-R116 WeakPolarHBondContact OG-CD 3.37Å; S107-E117 WeakPolarHBondContact CA-O 3.32Å; S107-E117 WeakPolarHBondContact CB-O 3.45Å; S107-E117 PolarHBondContact OG-O 3.42Å; S107-W118 VanDerWaalsContact CB-CZ3 3.47Å |
| 108 | K | 97.3 | Very high | 95.9 | Very high | 127 Ų | 127 | 37 Ų | 37 | 55% | 0.552 | 18% | 0.18 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.1 | 174.5 | -176.3 | -177.1 | 174.4 | -171.5 | 0 | 109.9 | R116 E117 | K108-R116 CarbonylContact O-C 3.55Å; K108-R116 VanDerWaalsContact O-CA 3.29Å; K108-R116 WeakPolarHBondContact O-CA 3.44Å; K108-E117 PolarHBondContact N-O 2.84Å; K108-E117 PolarHBondContact O-N 2.79Å |
| 109 | Y | 97.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138.1 | 174.5 | -174.8 | -101.2 | 0 | 0 | 0 | 111.5 | R33 G58 D60 E111 L114 R116 | R33-Y109 HydrophobicContact CB-CD1 3.66Å; R33-Y109 HydrophobicContact CB-CE1 3.89Å; R33-Y109 HydrophobicContact CB-CG 4.01Å; R33-Y109 HydrophobicContact CG-CD1 4Å; R33-Y109 HydrophobicContact CG-CE1 3.71Å; R33-Y109 HydrophobicContact CG-CE2 4.28Å; R33-Y109 HydrophobicContact CG-CG 4.4Å; R33-Y109 WeakPolarHBondContact O-CB 3.3Å; G58-Y109 PolarHBondContact O-OH 2.97Å; D60-Y109 HydrophobicContact CB-CD2 4.22Å; D60-Y109 HydrophobicContact CB-CE2 3.79Å; Y109-E111 HydrophobicContact CE1-CB 4.17Å; Y109-L114 WeakPolarHBondContact OH-CD2 3.43Å; Y109-R116 HydrophobicContact CD2-CG 4.2Å |
| 110 | F | 96.6 | Very high | 96.8 | Very high | 82 Ų | 82 | 34.1 Ų | 34.1 | 36% | 0.36 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 101.3 | -179 | -163.4 | -115.2 | 0 | 0 | 0 | 110.5 | A88 S112 T113 L114 D115 | A88-F110 HydrophobicContact CB-CB 3.68Å; A88-F110 HydrophobicContact CB-CD1 3.81Å; A88-F110 HydrophobicContact CB-CG 4.03Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 WeakPolarHBondContact CD1-OG 2.83Å; F110-S112 WeakPolarHBondContact CE1-OG 3.34Å; F110-S112 WeakPolarHBondContact CZ-OG 3.43Å; F110-S112 PolarHBondContact O-N 3.25Å; F110-T113 HydrophobicContact CD1-CG2 4.02Å; F110-T113 WeakPolarHBondContact CD1-OG1 3.31Å; F110-T113 HydrophobicContact CE1-CG2 4.28Å; F110-T113 PolarHBondContact O-N 3.49Å; F110-T113 PolarHBondContact O-OG1 2.69Å; F110-L114 PolarHBondContact O-N 2.89Å; F110-L114 VanDerWaalsContact O-N 3.1Å; F110-D115 PolarHBondContact N-O 2.9Å; F110-D115 PolarHBondContact O-N 2.98Å |
| 111 | E | 95.4 | Very high | 97 | Very high | 140 Ų | 140 | 36.3 Ų | 36.3 | 65% | 0.654 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34.8 | -169 | -172 | 170.6 | -165.2 | 0 | 0 | 113.6 | Y109 T113 L114 | Y109-E111 HydrophobicContact CE1-CB 4.17Å; E111-T113 PolarHBondContact O-N 2.8Å; E111-L114 VanDerWaalsContact O-CD2 3.31Å; E111-L114 WeakPolarHBondContact O-CD2 3.31Å; E111-L114 PolarHBondContact O-N 3.1Å |
| 112 | S | 94.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 66% | 0.664 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.1 | -176.9 | 74.1 | 0 | 0 | 0 | 0 | 114 | F110 | F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 WeakPolarHBondContact CD1-OG 2.83Å; F110-S112 WeakPolarHBondContact CE1-OG 3.34Å; F110-S112 WeakPolarHBondContact CZ-OG 3.43Å; F110-S112 PolarHBondContact O-N 3.25Å |
| 113 | T | 94.3 | Very high | 97 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 17% | 0.172 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -10.4 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | A88 F110 E111 D115 R170 | A88-T113 WeakPolarHBondContact CB-OG1 3.27Å; F110-T113 HydrophobicContact CD1-CG2 4.02Å; F110-T113 WeakPolarHBondContact CD1-OG1 3.31Å; F110-T113 HydrophobicContact CE1-CG2 4.28Å; F110-T113 PolarHBondContact O-N 3.49Å; F110-T113 PolarHBondContact O-OG1 2.69Å; E111-T113 PolarHBondContact O-N 2.8Å; T113-D115 VanDerWaalsContact C-N 3.33Å; T113-R170 PolarHBondContact O-NH1 2.04Å |
| 114 | L | 96.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 37.6 Ų | 37.6 | 29% | 0.293 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 54.9 | -168.9 | -51.8 | 175.4 | 0 | 0 | 0 | 110.5 | Y109 F110 E111 R170 | Y109-L114 WeakPolarHBondContact OH-CD2 3.43Å; F110-L114 PolarHBondContact O-N 2.89Å; F110-L114 VanDerWaalsContact O-N 3.1Å; E111-L114 VanDerWaalsContact O-CD2 3.31Å; E111-L114 WeakPolarHBondContact O-CD2 3.31Å; E111-L114 PolarHBondContact O-N 3.1Å; L114-R170 HydrophobicContact CB-CB 4.24Å; L114-R170 HydrophobicContact CB-CG 4.28Å; L114-R170 HydrophobicContact CD1-CG 4.24Å |
| 115 | D | 96.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | -177.8 | -178.3 | -174.4 | 24.7 | 0 | 0 | 0 | 109.2 | A88 G89 F110 T113 F165 R172 | A88-D115 HydrophobicContact CB-CB 4.31Å; G89-D115 WeakPolarHBondContact CA-OD2 3.49Å; G89-D115 PolarHBondContact N-OD2 2.94Å; F110-D115 PolarHBondContact N-O 2.9Å; F110-D115 PolarHBondContact O-N 2.98Å; T113-D115 VanDerWaalsContact C-N 3.33Å; D115-F165 HydrophobicContact CB-CD2 4.08Å; D115-F165 HydrophobicContact CB-CE2 3.49Å; D115-F165 VanDerWaalsContact CB-CE2 3.49Å; D115-F165 HydrophobicContact CB-CZ 3.81Å; D115-F165 VanDerWaalsContact CG-CD2 3.46Å; D115-F165 VanDerWaalsContact CG-CE2 3.42Å; D115-R172 IonicContact OD1-CZ 2.87Å; D115-R172 IonicContact OD1-NE 3.77Å; D115-R172 PolarHBondContact OD1-NE 2.92Å; D115-R172 IonicContact OD1-NH2 3.75Å; D115-R172 IonicContact OD2-CZ 3.76Å; D115-R172 IonicContact OD2-NE 3.63Å; D115-R172 IonicContact OD2-NH2 2.65Å; D115-R172 PolarHBondContact OD2-NH2 3.41Å |
| 116 | R | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.4 | -177.4 | -75.7 | 173.5 | 176.2 | -85.9 | -4.4 | 112.8 | N30 Q34 D60 R61 S107 K108 Y109 W118 | N30-R116 PolarHBondContact ND2-NH2 3.47Å; N30-R116 VanDerWaalsContact ND2-NH2 3.13Å; Q34-R116 PolarHBondContact O-NH1 3.43Å; Q34-R116 PolarHBondContact O-NH2 2.03Å; Q34-R116 VanDerWaalsContact O-NH2 3.13Å; D60-R116 VanDerWaalsContact CG-NH2 3.31Å; D60-R116 IonicContact OD1-CZ 2.65Å; D60-R116 VanDerWaalsContact OD1-CZ 3.3Å; D60-R116 IonicContact OD1-NE 2.64Å; D60-R116 PolarHBondContact OD1-NE 2.91Å; D60-R116 IonicContact OD1-NH2 3.73Å; D60-R116 PolarHBondContact OD1-NH2 3.42Å; D60-R116 IonicContact OD2-CZ 3.95Å; D60-R116 IonicContact OD2-NE 3.3Å; D60-R116 IonicContact OD2-NH2 3.71Å; D60-R116 PolarHBondContact OD2-NH2 2.66Å; R61-R116 PolarHBondContact O-NH2 2.84Å; S107-R116 WeakPolarHBondContact OG-CB 3.13Å; S107-R116 WeakPolarHBondContact OG-CD 3.37Å; K108-R116 CarbonylContact O-C 3.55Å; K108-R116 VanDerWaalsContact O-CA 3.29Å; K108-R116 WeakPolarHBondContact O-CA 3.44Å; Y109-R116 HydrophobicContact CD2-CG 4.2Å; R116-W118 HydrophobicContact CB-CD2 4.45Å; R116-W118 VanDerWaalsContact CB-CE2 3.49Å; R116-W118 HydrophobicContact CB-CZ2 3.57Å; R116-W118 VanDerWaalsContact CB-NE1 3.33Å; R116-W118 VanDerWaalsContact CD-CZ2 3.41Å; R116-W118 HydrophobicContact CG-CZ2 4.12Å; R116-W118 PolarHBondContact O-NE1 2.97Å |
| 117 | E | 97.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 150.2 | 159.4 | -60.9 | 176.6 | 147.2 | 0 | 0 | 109.2 | I85 N86 A88 S107 K108 | I85-E117 HydrophobicContact CD1-CB 3.92Å; I85-E117 HydrophobicContact CG1-CB 4.08Å; N86-E117 VanDerWaalsContact OD1-C 3.32Å; N86-E117 WeakPolarHBondContact OD1-CA 3.38Å; A88-E117 HydrophobicContact CB-CG 4Å; S107-E117 WeakPolarHBondContact CA-O 3.32Å; S107-E117 WeakPolarHBondContact CB-O 3.45Å; S107-E117 PolarHBondContact OG-O 3.42Å; K108-E117 PolarHBondContact N-O 2.84Å; K108-E117 PolarHBondContact O-N 2.79Å |
| 118 | W | 97.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.1 | -166.7 | -63 | 97 | 0 | 0 | 0 | 110.8 | F36 W63 I85 N86 W92 V105 Q106 S107 R116 W174 | F36-W118 HydrophobicContact CE1-CH2 4.49Å; F36-W118 HydrophobicContact CE1-CZ3 4.44Å; F36-W118 HydrophobicContact CZ-CH2 4.23Å; F36-W118 AromaticContact CZ-CZ3 3.78Å; F36-W118 HydrophobicContact CZ-CZ3 3.78Å; W63-W118 AromaticContact CD2-CH2 3.91Å; W63-W118 HydrophobicContact CD2-CH2 3.91Å; W63-W118 HydrophobicContact CD2-CZ3 4.49Å; W63-W118 AromaticContact CE2-CH2 3.34Å; W63-W118 HydrophobicContact CE3-CH2 4.47Å; W63-W118 HydrophobicContact CG-CH2 4.43Å; W63-W118 HydrophobicContact CH2-CH2 4.05Å; W63-W118 HydrophobicContact CH2-CZ2 4.46Å; W63-W118 AromaticContact CZ2-CH2 3.42Å; W63-W118 HydrophobicContact CZ2-CH2 3.42Å; W63-W118 VanDerWaalsContact CZ2-CH2 3.42Å; W63-W118 AromaticContact CZ2-CZ2 3.74Å; W63-W118 HydrophobicContact CZ2-CZ2 3.74Å; W63-W118 HydrophobicContact CZ2-CZ3 4.45Å; W63-W118 AromaticContact NE1-CH2 3.55Å; I85-W118 WeakPolarHBondContact CA-O 3.47Å; N86-W118 PolarHBondContact N-O 3.06Å; N86-W118 PolarHBondContact OD1-N 2.88Å; N86-W118 PolarHBondContact OD1-O 2.82Å; W92-W118 HydrophobicContact CD2-CB 4.36Å; W92-W118 HydrophobicContact CE3-CB 3.73Å; W92-W118 HydrophobicContact CE3-CG 4.26Å; W92-W118 HydrophobicContact CH2-CB 3.63Å; W92-W118 HydrophobicContact CZ2-CB 4.24Å; W92-W118 HydrophobicContact CZ3-CB 3.33Å; W92-W118 HydrophobicContact CZ3-CG 4.02Å; V105-W118 HydrophobicContact CG1-CE3 3.87Å; V105-W118 HydrophobicContact CG1-CZ3 3.98Å; Q106-W118 WeakPolarHBondContact O-CA 3.48Å; S107-W118 VanDerWaalsContact CB-CZ3 3.47Å; R116-W118 HydrophobicContact CB-CD2 4.45Å; R116-W118 VanDerWaalsContact CB-CE2 3.49Å; R116-W118 HydrophobicContact CB-CZ2 3.57Å; R116-W118 VanDerWaalsContact CB-NE1 3.33Å; R116-W118 VanDerWaalsContact CD-CZ2 3.41Å; R116-W118 HydrophobicContact CG-CZ2 4.12Å; R116-W118 PolarHBondContact O-NE1 2.97Å; W118-W174 HydrophobicContact CB-CH2 4.44Å; W118-W174 AromaticContact CD2-CH2 3.46Å; W118-W174 HydrophobicContact CD2-CH2 3.46Å; W118-W174 VanDerWaalsContact CD2-CH2 3.46Å; W118-W174 AromaticContact CD2-CZ2 3.67Å; W118-W174 HydrophobicContact CD2-CZ2 3.67Å; W118-W174 AromaticContact CE2-CH2 3.8Å; W118-W174 AromaticContact CE2-CZ2 3.47Å; W118-W174 VanDerWaalsContact CE2-CZ2 3.47Å; W118-W174 AromaticContact CE3-CH2 3.62Å; W118-W174 HydrophobicContact CE3-CH2 3.62Å; W118-W174 AromaticContact CE3-CZ2 3.98Å; W118-W174 HydrophobicContact CE3-CZ2 3.98Å; W118-W174 AromaticContact CG-CH2 3.81Å; W118-W174 HydrophobicContact CG-CH2 3.81Å; W118-W174 HydrophobicContact CG-CZ2 4.24Å; W118-W174 HydrophobicContact CH2-CH2 4.45Å; W118-W174 HydrophobicContact CH2-CZ2 4.01Å; W118-W174 HydrophobicContact CZ2-CH2 4.3Å; W118-W174 AromaticContact CZ2-CZ2 3.67Å; W118-W174 HydrophobicContact CZ2-CZ2 3.67Å; W118-W174 HydrophobicContact CZ3-CH2 4.11Å; W118-W174 HydrophobicContact CZ3-CZ2 4.12Å; W118-W174 AromaticContact NE1-CZ2 3.87Å |
| 119 | Q | 96.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 16% | 0.159 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 138.5 | 177.2 | -162.9 | -177.6 | 28.9 | 0 | 0 | 108.9 | W82 D83 I85 Q106 | W82-Q119 HydrophobicContact CB-CG 4.43Å; W82-Q119 HydrophobicContact CE3-CB 4.32Å; W82-Q119 HydrophobicContact CE3-CG 3.97Å; D83-Q119 VanDerWaalsContact O-CD 3.24Å; D83-Q119 WeakPolarHBondContact O-CG 3.35Å; D83-Q119 PolarHBondContact O-NE2 3.26Å; I85-Q119 HydrophobicContact CB-CB 4.47Å; I85-Q119 HydrophobicContact CG1-CB 4.47Å; Q106-Q119 HydrophobicContact CB-CB 4.39Å; Q106-Q119 PolarHBondContact N-O 3.42Å; Q106-Q119 PolarHBondContact O-N 2.85Å |
| 120 | F | 98.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.1 | 173.9 | -69.5 | -44.6 | 0 | 0 | 0 | 111.6 | W82 D83 W92 S94 V102 V105 A161 W174 | W82-F120 WeakPolarHBondContact CA-O 3.45Å; D83-F120 PolarHBondContact N-O 2.83Å; W92-F120 HydrophobicContact CH2-CD1 4.38Å; W92-F120 AromaticContact CH2-CD2 3.72Å; W92-F120 HydrophobicContact CH2-CD2 3.72Å; W92-F120 HydrophobicContact CH2-CE1 4.18Å; W92-F120 AromaticContact CH2-CE2 3.48Å; W92-F120 HydrophobicContact CH2-CE2 3.48Å; W92-F120 VanDerWaalsContact CH2-CE2 3.48Å; W92-F120 HydrophobicContact CH2-CG 4.16Å; W92-F120 AromaticContact CH2-CZ 3.74Å; W92-F120 HydrophobicContact CH2-CZ 3.74Å; W92-F120 HydrophobicContact CZ2-CD2 4.2Å; W92-F120 HydrophobicContact CZ2-CE2 4.23Å; W92-F120 AromaticContact CZ3-CE2 3.98Å; W92-F120 HydrophobicContact CZ3-CE2 3.98Å; W92-F120 AromaticContact CZ3-CZ 3.92Å; W92-F120 HydrophobicContact CZ3-CZ 3.92Å; S94-F120 WeakPolarHBondContact OG-CD2 3.18Å; V102-F120 HydrophobicContact CG1-CB 4.43Å; V102-F120 HydrophobicContact CG1-CD1 3.83Å; V102-F120 HydrophobicContact CG1-CE1 4.35Å; V102-F120 HydrophobicContact CG1-CG 4.21Å; V102-F120 HydrophobicContact CG2-CB 4.37Å; V102-F120 HydrophobicContact CG2-CD1 4.4Å; V102-F120 HydrophobicContact CG2-CD2 4.21Å; V102-F120 HydrophobicContact CG2-CG 4.09Å; V105-F120 HydrophobicContact CB-CD1 4.5Å; V105-F120 HydrophobicContact CG1-CD1 4.25Å; V105-F120 HydrophobicContact CG1-CE1 4.21Å; V105-F120 HydrophobicContact CG2-CD1 3.97Å; V105-F120 HydrophobicContact CG2-CE1 4.01Å; F120-A161 HydrophobicContact CE2-CB 4.05Å; F120-A161 HydrophobicContact CZ-CB 3.83Å; F120-W174 HydrophobicContact CZ-CZ3 4.07Å |
| 121 | Y | 98.3 | Very high | 92.9 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 18% | 0.18 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.5 | 163.1 | -173 | -117.6 | 0 | 0 | 0 | 107.9 | Q39 C80 W81 W82 A103 G104 | Q39-Y121 HydrophobicContact CG-CD1 3.93Å; Q39-Y121 HydrophobicContact CG-CE1 4.35Å; Q39-Y121 HydrophobicContact CG-CG 4.15Å; C80-Y121 HydrophobicContact CB-CE1 3.91Å; C80-Y121 HydrophobicContact CB-CE2 3.98Å; C80-Y121 VanDerWaalsContact CB-CZ 3.41Å; C80-Y121 WeakPolarHBondContact CB-OH 3.4Å; W81-Y121 WeakPolarHBondContact O-CD2 3.48Å; W82-Y121 AromaticContact CD1-CD2 3.98Å; W82-Y121 AromaticContact CD2-CD2 3.83Å; W82-Y121 HydrophobicContact CD2-CD2 3.83Å; W82-Y121 HydrophobicContact CD2-CG 4.44Å; W82-Y121 AromaticContact CE2-CD2 3.61Å; W82-Y121 HydrophobicContact CE3-CD2 4.4Å; W82-Y121 HydrophobicContact CG-CD2 4.07Å; W82-Y121 HydrophobicContact CH2-CG 4.42Å; W82-Y121 HydrophobicContact CZ2-CD2 4.04Å; W82-Y121 HydrophobicContact CZ2-CG 4.22Å; W82-Y121 AromaticContact NE1-CD2 3.68Å; A103-Y121 HydrophobicContact CB-CD1 3.97Å; A103-Y121 HydrophobicContact CB-CE1 4.46Å; A103-Y121 PolarHBondContact N-O 2.83Å; G104-Y121 PolarHBondContact N-O 3.22Å; G104-Y121 PolarHBondContact O-N 3.13Å |
| 122 | C | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.3 | -174.2 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | C80 W81 C96 L101 | C80-C122 CarbonylContact C-O 3.42Å; C80-C122 WeakPolarHBondContact CA-O 3.41Å; C80-C122 WeakPolarHBondContact CB-O 3.29Å; W81-C122 HydrophobicContact CD2-CB 4.12Å; W81-C122 HydrophobicContact CH2-CB 4.17Å; W81-C122 HydrophobicContact CZ2-CB 3.7Å; W81-C122 PolarHBondContact N-O 2.84Å; W81-C122 PolarHBondContact O-N 2.78Å; C96-C122 WeakPolarHBondContact CA-SG 3.28Å; C96-C122 HydrophobicContact CB-CB 3.66Å; C96-C122 WeakPolarHBondContact CB-SG 3.42Å; C96-C122 WeakPolarHBondContact SG-CB 3.05Å; C96-C122 CovalentContact SG-SG 2.04Å; C96-C122 PolarHBondContact SG-SG 3.08Å; L101-C122 CarbonylContact O-C 3.58Å; L101-C122 WeakPolarHBondContact O-CA 3.39Å |
| 123 | C | 95.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.9 | 172.6 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | P77 D79 C80 G100 L101 A103 Y125 | P77-C123 HydrophobicContact CB-CB 4.03Å; D79-C123 CarbonylContact O-C 3.48Å; D79-C123 WeakPolarHBondContact O-CA 3.48Å; C80-C123 HydrophobicContact CB-CB 4.14Å; C80-C123 WeakPolarHBondContact CB-SG 3.27Å; C80-C123 VanDerWaalsContact SG-CA 3.56Å; C80-C123 WeakPolarHBondContact SG-CB 2.98Å; C80-C123 CovalentContact SG-SG 2.05Å; C80-C123 PolarHBondContact SG-SG 3.1Å; G100-C123 CarbonylContact C-O 3.52Å; G100-C123 WeakPolarHBondContact CA-O 3.22Å; L101-C123 PolarHBondContact N-O 2.64Å; L101-C123 PolarHBondContact O-N 3.35Å; A103-C123 HydrophobicContact CB-CB 4.02Å; A103-C123 VanDerWaalsContact CB-SG 3.57Å; C123-Y125 HydrophobicContact CB-CE2 4.33Å |
| 124 | Y | 91.7 | Very high | 92.9 | Very high | 25 Ų | 25 | 42 Ų | 42 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.3 | 179.6 | 171.8 | -116.5 | 0 | 0 | 0 | 111.4 | P77 S78 D79 R98 N99 K126 R127 | P77-Y124 CarbonylContact C-O 3.44Å; P77-Y124 WeakPolarHBondContact CA-O 3.34Å; S78-Y124 PolarHBondContact N-O 2.73Å; D79-Y124 PolarHBondContact O-N 2.82Å; R98-Y124 WeakPolarHBondContact O-CD2 3.46Å; R98-Y124 WeakPolarHBondContact O-CE2 3.27Å; N99-Y124 HydrophobicContact CB-CE2 4.33Å; Y124-K126 HydrophobicContact CE1-CB 4.43Å; Y124-K126 HydrophobicContact CE1-CG 3.83Å; Y124-R127 PolarHBondContact OH-N 2.84Å |
| 125 | Y | 88.6 | Confident | 93 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.2 | 174.3 | -70.2 | -97.6 | 0 | 0 | 0 | 108.8 | L45 V70 G75 P77 L101 C123 R127 R128 | L45-Y125 HydrophobicContact CD1-CE2 4.07Å; L45-Y125 HydrophobicContact CD2-CE2 4.01Å; L45-Y125 HydrophobicContact CG-CE2 4.27Å; V70-Y125 HydrophobicContact CB-CE1 4.5Å; V70-Y125 HydrophobicContact CG1-CE1 4.21Å; V70-Y125 HydrophobicContact CG2-CE1 3.73Å; G75-Y125 WeakPolarHBondContact O-CD1 3.46Å; G75-Y125 VanDerWaalsContact O-CE1 3.29Å; G75-Y125 WeakPolarHBondContact O-CE1 3.16Å; P77-Y125 HydrophobicContact CB-CE1 4.08Å; P77-Y125 HydrophobicContact CB-CE2 4.18Å; P77-Y125 HydrophobicContact CG-CE1 4.41Å; L101-Y125 HydrophobicContact CD1-CD2 4.41Å; C123-Y125 HydrophobicContact CB-CE2 4.33Å; Y125-R127 PolarHBondContact O-N 3.36Å; Y125-R128 PolarHBondContact O-N 3.41Å |
| 126 | K | 81.9 | Confident | 93 | Very high | 129 Ų | 129 | 44.9 Ų | 44.9 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 132.9 | -174.8 | -98.8 | 173 | -167.6 | 161 | 0 | 110.9 | S78 Y124 R128 | S78-K126 WeakPolarHBondContact OG-CB 3.31Å; S78-K126 WeakPolarHBondContact OG-CD 3.32Å; S78-K126 WeakPolarHBondContact OG-CG 3.23Å; Y124-K126 HydrophobicContact CE1-CB 4.43Å; Y124-K126 HydrophobicContact CE1-CG 3.83Å; K126-R128 PolarHBondContact O-N 2.91Å; K126-R128 VanDerWaalsContact O-N 3.14Å |
| 127 | R | 77.3 | Confident | 93 | Very high | 147 Ų | 147 | 50.2 Ų | 50.2 | 56% | 0.555 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 13.1 | 174.2 | -46.3 | -178.5 | -178 | 170.9 | -2.8 | 114.2 | Y124 Y125 D185 C186 | Y124-R127 PolarHBondContact OH-N 2.84Å; Y125-R127 PolarHBondContact O-N 3.36Å; R127-D185 HydrophobicContact CB-CB 3.76Å; R127-D185 VanDerWaalsContact CB-OD1 3.27Å; R127-D185 WeakPolarHBondContact CB-OD1 3.27Å; R127-D185 WeakPolarHBondContact CD-OD2 3.17Å; R127-D185 HydrophobicContact CG-CB 4.43Å; R127-D185 IonicContact CZ-OD2 2.7Å; R127-D185 IonicContact NE-OD2 2.81Å; R127-D185 IonicContact NH1-OD2 3.14Å; R127-D185 PolarHBondContact NH1-OD2 3.09Å; R127-D185 CarbonylContact O-C 3.44Å; R127-D185 WeakPolarHBondContact O-CA 3.44Å; R127-C186 PolarHBondContact O-N 2.76Å |
| 128 | R | 85.4 | Confident | 93 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | trans | -105.2 | 133.7 | 173.1 | -54.5 | -56 | 175.2 | 133.8 | -8.2 | 110.1 | N73 L74 Y125 K126 L181 T182 D183 | N73-R128 PolarHBondContact O-NH1 2.94Å; N73-R128 PolarHBondContact O-NH2 2.78Å; L74-R128 HydrophobicContact CD2-CG 4.05Å; Y125-R128 PolarHBondContact O-N 3.41Å; K126-R128 PolarHBondContact O-N 2.91Å; K126-R128 VanDerWaalsContact O-N 3.14Å; R128-L181 HydrophobicContact CB-CD1 4.31Å; R128-L181 HydrophobicContact CB-CD2 4.44Å; R128-T182 WeakPolarHBondContact CD-O 3.43Å; R128-T182 PolarHBondContact NH1-O 3.25Å; R128-D183 VanDerWaalsContact NH1-CA 3.27Å; R128-D183 PolarHBondContact NH1-O 2.77Å | ||
| 129 | C | 87.7 | Confident | 93.1 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | trans | -114.8 | 135.4 | -178.8 | -82.2 | 0 | 0 | 0 | 0 | 111.9 | N99 Y131 L181 T182 C186 F188 | N99-C129 PolarHBondContact ND2-SG 3.15Å; C129-Y131 PolarHBondContact O-N 3Å; C129-L181 WeakPolarHBondContact O-CA 3.2Å; C129-T182 HydrophobicContact CB-CG2 4.16Å; C129-T182 PolarHBondContact N-OG1 2.78Å; C129-T182 PolarHBondContact O-N 2.76Å; C129-C186 VanDerWaalsContact CA-SG 3.58Å; C129-C186 HydrophobicContact CB-CB 3.56Å; C129-C186 WeakPolarHBondContact CB-SG 3.46Å; C129-C186 PolarHBondContact N-SG 3.33Å; C129-C186 WeakPolarHBondContact SG-CB 2.89Å; C129-C186 CovalentContact SG-SG 2.01Å; C129-C186 PolarHBondContact SG-SG 2.01Å; C129-F188 PolarHBondContact SG-O 3.28Å | ||
| 130 | P | 91.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.8 | 168.9 | 27.3 | -32.5 | 0 | 0 | 0 | 110.1 | N99 C179 R180 L181 | N99-P130 HydrophobicContact CB-CG 4.04Å; N99-P130 WeakPolarHBondContact OD1-CD 3.38Å; P130-C179 HydrophobicContact CB-CB 3.73Å; P130-R180 CarbonylContact C-O 3.58Å; P130-R180 WeakPolarHBondContact CA-O 3.35Å; P130-L181 HydrophobicContact CB-CD2 4.36Å |
| 131 | Y | 91.9 | Very high | 93.1 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 169.1 | 172.8 | 75.6 | -83.8 | 0 | 0 | 0 | 110.2 | C129 C133 R180 L181 T182 | C129-Y131 PolarHBondContact O-N 3Å; Y131-C133 VanDerWaalsContact C-N 3.26Å; Y131-C133 PolarHBondContact O-N 3.19Å; Y131-R180 HydrophobicContact CD1-CB 4.1Å; Y131-R180 WeakPolarHBondContact CD1-O 3.32Å; Y131-R180 HydrophobicContact CD2-CB 4.46Å; Y131-R180 HydrophobicContact CE1-CB 3.68Å; Y131-R180 HydrophobicContact CE2-CB 4.05Å; Y131-R180 HydrophobicContact CG-CB 4.47Å; Y131-R180 PolarHBondContact N-O 2.87Å; Y131-R180 PolarHBondContact O-N 3.33Å; Y131-L181 WeakPolarHBondContact CE1-O 3.03Å; Y131-T182 HydrophobicContact CD1-CG2 3.75Å; Y131-T182 HydrophobicContact CE1-CG2 4.14Å |
| 132 | S | 93.9 | Very high | 93.1 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 48% | 0.476 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 47.3 | 179.4 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 133 | C | 95 | Very high | 93.1 | Very high | 63 Ų | 63 | 63 Ų | 63 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 141.5 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | Y131 L178 C179 | Y131-C133 VanDerWaalsContact C-N 3.26Å; Y131-C133 PolarHBondContact O-N 3.19Å; C133-L178 CarbonylContact C-O 3.51Å; C133-L178 WeakPolarHBondContact CA-O 3.34Å; C133-C179 HydrophobicContact CB-CB 4.14Å; C133-C179 WeakPolarHBondContact CB-SG 3.39Å; C133-C179 WeakPolarHBondContact SG-CB 3.16Å; C133-C179 CovalentContact SG-SG 2.04Å; C133-C179 PolarHBondContact SG-SG 3.5Å |
| 134 | M | 96 | Very high | 93.2 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.6 | 174.2 | 60.5 | 175.9 | -77.6 | 0 | 0 | 110.5 | Y156 L178 | M134-Y156 HydrophobicContact CG-CE1 4.21Å; M134-Y156 HydrophobicContact SD-CE1 4.22Å; M134-L178 HydrophobicContact CG-CB 4.23Å; M134-L178 PolarHBondContact N-O 3.04Å; M134-L178 PolarHBondContact O-N 3.42Å |
| 135 | K | 96.9 | Very high | 93.4 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.3 | 168.6 | -72.9 | -177.9 | 179.8 | 179.7 | 0 | 109.5 | Y176 I177 | K135-Y176 CarbonylContact C-O 3.25Å; K135-Y176 VanDerWaalsContact CA-O 3.29Å; K135-Y176 WeakPolarHBondContact CA-O 2.88Å; K135-I177 HydrophobicContact CD-CG1 4.5Å; K135-I177 HydrophobicContact CG-CG1 3.96Å |
| 136 | T | 97.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 73.8 Ų | 73.8 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | trans | -68.2 | 169.6 | 169.3 | 65 | 0 | 0 | 0 | 0 | 110.9 | Y176 L178 | T136-Y176 PolarHBondContact N-O 3.13Å; T136-Y176 PolarHBondContact OG1-N 3.05Å; T136-L178 HydrophobicContact CG2-CD1 3.85Å; T136-L178 HydrophobicContact CG2-CG 4.14Å | ||
| 137 | T | 97.1 | Very high | 94.5 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | trans | -64.6 | 175 | 157.7 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 138 | D | 98.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 66.5 Ų | 66.5 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | trans | -64.2 | 135 | 175 | -63.9 | -54.1 | 0 | 0 | 0 | 110.7 | P140 E141 Q173 W174 K175 | D138-P140 CarbonylContact C-O 3.48Å; D138-P140 VanDerWaalsContact C-O 3.25Å; D138-P140 CarbonylContact O-C 3.55Å; D138-E141 WeakPolarHBondContact O-CA 3.3Å; D138-E141 PolarHBondContact O-N 2.87Å; D138-Q173 HydrophobicContact CB-CB 4.24Å; D138-W174 CarbonylContact C-O 3.56Å; D138-W174 WeakPolarHBondContact CA-O 3.33Å; D138-K175 WeakPolarHBondContact OD1-CE 3.2Å; D138-K175 VanDerWaalsContact OD1-CG 3.28Å; D138-K175 WeakPolarHBondContact OD1-CG 3.35Å; D138-K175 IonicContact OD1-NZ 3.4Å; D138-K175 PolarHBondContact OD1-NZ 2.86Å; D138-K175 IonicContact OD2-NZ 3.92Å; D138-K175 PolarHBondContact OD2-NZ 3.31Å | ||
| 139 | V | 97.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 65.3 Ų | 65.3 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -126.6 | 117 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | M149 W174 Y176 | V139-M149 HydrophobicContact CG1-CB 4.25Å; V139-M149 HydrophobicContact CG2-CB 4.33Å; V139-W174 PolarHBondContact N-O 2.81Å; V139-W174 WeakPolarHBondContact O-CB 3.34Å; V139-W174 PolarHBondContact O-N 3.19Å; V139-Y176 HydrophobicContact CB-CE2 3.98Å; V139-Y176 HydrophobicContact CG1-CE2 4.31Å; V139-Y176 HydrophobicContact CG2-CD2 4.39Å; V139-Y176 HydrophobicContact CG2-CE2 4.23Å |
| 140 | P | 98.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | S | Bend | cis | -61.3 | 163.3 | -12.1 | 32 | -40.2 | 0 | 0 | 0 | 112.8 | D138 Y142 E145 Q173 | D138-P140 CarbonylContact C-O 3.48Å; D138-P140 VanDerWaalsContact C-O 3.25Å; D138-P140 CarbonylContact O-C 3.55Å; P140-Y142 VanDerWaalsContact C-N 3.27Å; P140-Y142 VanDerWaalsContact CB-O 3.32Å; P140-Y142 WeakPolarHBondContact CB-O 3.28Å; P140-Y142 WeakPolarHBondContact CG-O 3.39Å; P140-Y142 PolarHBondContact O-N 3.22Å; P140-E145 HydrophobicContact CB-CB 3.96Å; P140-E145 WeakPolarHBondContact CG-O 3.39Å; P140-Q173 PolarHBondContact O-NE2 2.89Å |
| 141 | E | 97.3 | Very high | 96.5 | Very high | 130 Ų | 130 | 69.3 Ų | 69.3 | 61% | 0.607 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -62.9 | -36.5 | 177.5 | -176.3 | 172.6 | -176.3 | 0 | 0 | 111.6 | D138 Q173 | D138-E141 WeakPolarHBondContact O-CA 3.3Å; D138-E141 PolarHBondContact O-N 2.87Å; E141-Q173 PolarHBondContact O-NE2 2.96Å |
| 142 | Y | 97.8 | Very high | 96.4 | Very high | 139 Ų | 139 | 68.9 Ų | 68.9 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -124.3 | 146.7 | 171.3 | -53.8 | -73.5 | 0 | 0 | 0 | 111.4 | P140 E145 | P140-Y142 VanDerWaalsContact C-N 3.27Å; P140-Y142 VanDerWaalsContact CB-O 3.32Å; P140-Y142 WeakPolarHBondContact CB-O 3.28Å; P140-Y142 WeakPolarHBondContact CG-O 3.39Å; P140-Y142 PolarHBondContact O-N 3.22Å; Y142-E145 WeakPolarHBondContact CD2-OE1 3.06Å; Y142-E145 WeakPolarHBondContact CD2-OE2 3.09Å; Y142-E145 WeakPolarHBondContact O-CB 3.38Å; Y142-E145 PolarHBondContact O-N 3.04Å |
| 143 | Y | 97.9 | Very high | 96 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 24% | 0.235 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 147.7 | 172.5 | -67.6 | -80.6 | 0 | 0 | 0 | 111.2 | E145 T164 L169 D171 Q173 | Y143-E145 PolarHBondContact O-N 2.66Å; Y143-T164 PolarHBondContact OH-OG1 2.79Å; Y143-L169 VanDerWaalsContact CB-CD1 3.47Å; Y143-L169 HydrophobicContact CD2-CD1 3.79Å; Y143-L169 HydrophobicContact CG-CD1 3.78Å; Y143-D171 WeakPolarHBondContact CA-OD2 3.05Å; Y143-D171 HydrophobicContact CD1-CB 3.92Å; Y143-D171 WeakPolarHBondContact CD1-O 3.21Å; Y143-D171 WeakPolarHBondContact CE1-O 3.29Å; Y143-Q173 HydrophobicContact CD1-CG 3.87Å; Y143-Q173 HydrophobicContact CD2-CG 4.45Å; Y143-Q173 HydrophobicContact CE1-CB 4.44Å; Y143-Q173 HydrophobicContact CE1-CG 3.71Å; Y143-Q173 HydrophobicContact CE2-CG 4.29Å; Y143-Q173 HydrophobicContact CG-CG 4.24Å; Y143-Q173 VanDerWaalsContact CZ-OE1 3.25Å; Y143-Q173 PolarHBondContact OH-OE1 3.14Å |
| 144 | R | 96.9 | Very high | 95.5 | Very high | 80 Ų | 80 | 73.1 Ų | 73.1 | 30% | 0.302 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | -0.9 | -179.2 | -49.4 | -179.3 | 171.4 | -165.4 | -11 | 115.4 | F53 E55 L169 D171 | F53-R144 HydrophobicContact CD1-CB 3.57Å; F53-R144 HydrophobicContact CD1-CG 4.01Å; F53-R144 HydrophobicContact CE1-CB 3.55Å; F53-R144 HydrophobicContact CE1-CG 3.47Å; F53-R144 VanDerWaalsContact CE1-CG 3.47Å; F53-R144 HydrophobicContact CE2-CG 4.47Å; F53-R144 HydrophobicContact CG-CB 4.3Å; F53-R144 HydrophobicContact CZ-CB 4.26Å; F53-R144 HydrophobicContact CZ-CG 3.75Å; E55-R144 VanDerWaalsContact CD-NH1 3.28Å; E55-R144 IonicContact OE1-CZ 3.3Å; E55-R144 IonicContact OE1-NH1 3.18Å; E55-R144 PolarHBondContact OE1-NH1 2.68Å; E55-R144 IonicContact OE1-NH2 3.82Å; E55-R144 PolarHBondContact OE1-NH2 2.65Å; E55-R144 IonicContact OE2-CZ 3.65Å; E55-R144 IonicContact OE2-NH1 2.69Å; E55-R144 PolarHBondContact OE2-NH1 2.95Å; E55-R144 VanDerWaalsContact OE2-NH1 3.11Å; R144-L169 PolarHBondContact NE-O 2.84Å; R144-L169 PolarHBondContact NH2-O 3.5Å; R144-D171 PolarHBondContact N-OD2 2.04Å |
| 145 | E | 97.3 | Very high | 95.1 | Very high | 91 Ų | 91 | 70 Ų | 70 | 43% | 0.425 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -85.2 | 166.4 | 169 | -62 | -176 | 165.3 | 0 | 0 | 111.3 | R61 P140 Y142 Y143 | R61-E145 PolarHBondContact NH1-O 2.82Å; R61-E145 PolarHBondContact NH2-O 3.5Å; P140-E145 HydrophobicContact CB-CB 3.96Å; P140-E145 WeakPolarHBondContact CG-O 3.39Å; Y142-E145 WeakPolarHBondContact CD2-OE1 3.06Å; Y142-E145 WeakPolarHBondContact CD2-OE2 3.09Å; Y142-E145 WeakPolarHBondContact O-CB 3.38Å; Y142-E145 PolarHBondContact O-N 3.04Å; Y143-E145 PolarHBondContact O-N 2.66Å |
| 146 | E | 96.8 | Very high | 95 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 133.3 | 176.8 | -41.7 | -44.3 | 165.2 | 0 | 0 | 110.2 | Y52 F53 | Y52-E146 WeakPolarHBondContact CA-OE2 3.42Å; Y52-E146 HydrophobicContact CD2-CG 3.74Å; Y52-E146 VanDerWaalsContact CD2-OE1 3.3Å; Y52-E146 WeakPolarHBondContact CD2-OE1 3.31Å; Y52-E146 WeakPolarHBondContact CD2-OE2 3.46Å; Y52-E146 HydrophobicContact CE2-CG 3.96Å; Y52-E146 WeakPolarHBondContact CE2-OE1 3.28Å; F53-E146 PolarHBondContact N-OE2 3.42Å |
| 147 | G | 96.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R50 S51 | R50-G147 CarbonylContact C-O 3.54Å; R50-G147 VanDerWaalsContact CA-O 3.26Å; R50-G147 WeakPolarHBondContact CA-O 3.44Å; S51-G147 PolarHBondContact N-O 2.85Å; S51-G147 PolarHBondContact O-N 2.82Å; S51-G147 PolarHBondContact OG-N 3.39Å |
| 148 | E | 96.3 | Very high | 94.9 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.5 | 167.3 | 178.3 | 164.9 | -155.3 | 0 | 0 | 109.3 | R50 V150 | R50-E148 HydrophobicContact CG-CB 4.42Å; R50-E148 HydrophobicContact CG-CG 4.1Å; R50-E148 IonicContact CZ-OE1 3.82Å; R50-E148 IonicContact NE-OE1 2.84Å; R50-E148 PolarHBondContact NE-OE1 3.42Å; R50-E148 IonicContact NH2-OE1 3.11Å; R50-E148 PolarHBondContact NH2-OE1 3.34Å; R50-E148 VanDerWaalsContact NH2-OE1 3.14Å; E148-V150 HydrophobicContact CG-CG2 4.27Å |
| 149 | M | 95.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.5 | 168 | -173 | -83.8 | -66.6 | 0 | 0 | 108.4 | A48 I49 V139 I158 Y176 | A48-M149 CarbonylContact C-O 3.49Å; A48-M149 VanDerWaalsContact CA-O 3.23Å; A48-M149 WeakPolarHBondContact CA-O 3.15Å; I49-M149 HydrophobicContact CD1-CE 3.66Å; I49-M149 HydrophobicContact CG1-CE 4.03Å; I49-M149 PolarHBondContact N-O 2.88Å; I49-M149 PolarHBondContact O-N 2.91Å; V139-M149 HydrophobicContact CG1-CB 4.25Å; V139-M149 HydrophobicContact CG2-CB 4.33Å; M149-I158 HydrophobicContact CE-CD1 3.32Å; M149-I158 HydrophobicContact CE-CG1 3.96Å; M149-Y176 HydrophobicContact CB-CD2 3.85Å; M149-Y176 HydrophobicContact CB-CE2 3.61Å; M149-Y176 HydrophobicContact CE-CD1 3.81Å; M149-Y176 HydrophobicContact CE-CD2 3.67Å; M149-Y176 HydrophobicContact CE-CE1 4.18Å; M149-Y176 HydrophobicContact CE-CE2 3.99Å; M149-Y176 HydrophobicContact CE-CG 3.53Å; M149-Y176 HydrophobicContact CG-CD2 3.55Å; M149-Y176 HydrophobicContact CG-CE2 3.89Å; M149-Y176 HydrophobicContact CG-CG 4.29Å; M149-Y176 HydrophobicContact SD-CD2 4.37Å |
| 150 | V | 96.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.7 | 167.6 | -176.4 | 0 | 0 | 0 | 0 | 106.2 | A48 E148 P152 | A48-V150 HydrophobicContact CB-CG2 4Å; E148-V150 HydrophobicContact CG-CG2 4.27Å; V150-P152 WeakPolarHBondContact O-CD 3.41Å; V150-P152 VanDerWaalsContact O-N 3.08Å |
| 151 | I | 94.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 60 Ų | 60 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | trans | -54.7 | 120 | 176.8 | -68.1 | 178.8 | 0 | 0 | 0 | 108.9 | V47 A153 Y156 I158 | V47-I151 HydrophobicContact CB-CD1 4.1Å; V47-I151 HydrophobicContact CG1-CD1 3.97Å; V47-I151 WeakPolarHBondContact O-CG1 3.45Å; V47-I151 PolarHBondContact O-N 2.94Å; I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 VanDerWaalsContact CG2-O 3.31Å; I151-A153 WeakPolarHBondContact CG2-O 3.13Å; I151-A153 PolarHBondContact O-N 2.85Å; I151-Y156 WeakPolarHBondContact CD1-O 3.09Å; I151-I158 HydrophobicContact CD1-CG1 4.15Å; I151-I158 HydrophobicContact CG1-CG1 4.26Å | ||
| 152 | P | 88.8 | Confident | 94.8 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | trans | -77.2 | -16.2 | -165.6 | 29.4 | -36.3 | 0 | 0 | 0 | 113.7 | V150 L178 | V150-P152 WeakPolarHBondContact O-CD 3.41Å; V150-P152 VanDerWaalsContact O-N 3.08Å; P152-L178 HydrophobicContact CG-CD1 4.15Å | ||
| 153 | A | 85.9 | Confident | 94.7 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -150.7 | 147.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I151 Y156 | I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 VanDerWaalsContact CG2-O 3.31Å; I151-A153 WeakPolarHBondContact CG2-O 3.13Å; I151-A153 PolarHBondContact O-N 2.85Å; A153-Y156 HydrophobicContact CB-CD2 3.91Å; A153-Y156 HydrophobicContact CB-CE2 4.18Å; A153-Y156 PolarHBondContact O-N 2.96Å |
| 154 | Y | 84.4 | Confident | 94.6 | Very high | 175 Ų | 175 | 48.3 Ų | 48.3 | 69% | 0.686 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 142.4 | 176.7 | -171 | -96.3 | 0 | 0 | 0 | 112.1 | P71 Y156 | P71-Y154 WeakPolarHBondContact CG-OH 3.47Å; Y154-Y156 VanDerWaalsContact C-N 3.3Å; Y154-Y156 PolarHBondContact O-N 2.82Å |
| 155 | G | 87.6 | Confident | 94.6 | Very high | 23 Ų | 23 | 46 Ų | 46 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 3.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F157 R180 | G155-F157 WeakPolarHBondContact O-CE2 3.47Å; G155-R180 WeakPolarHBondContact O-CA 3.29Å |
| 156 | Y | 94.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.7 | 165 | -77 | -88.4 | 0 | 0 | 0 | 110.6 | M134 I151 A153 Y154 L178 C179 R180 | M134-Y156 HydrophobicContact CG-CE1 4.21Å; M134-Y156 HydrophobicContact SD-CE1 4.22Å; I151-Y156 WeakPolarHBondContact CD1-O 3.09Å; A153-Y156 HydrophobicContact CB-CD2 3.91Å; A153-Y156 HydrophobicContact CB-CE2 4.18Å; A153-Y156 PolarHBondContact O-N 2.96Å; Y154-Y156 VanDerWaalsContact C-N 3.3Å; Y154-Y156 PolarHBondContact O-N 2.82Å; Y156-L178 HydrophobicContact CD1-CB 3.99Å; Y156-C179 CarbonylContact C-O 3.34Å; Y156-C179 WeakPolarHBondContact CA-O 3.41Å; Y156-R180 HydrophobicContact CD1-CG 4.01Å; Y156-R180 HydrophobicContact CD2-CG 4.32Å; Y156-R180 HydrophobicContact CE1-CG 3.8Å; Y156-R180 HydrophobicContact CE2-CG 4.14Å; Y156-R180 HydrophobicContact CG-CG 4.27Å |
| 157 | F | 95.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 147.6 | 179.4 | -56.4 | -82.7 | 0 | 0 | 0 | 110 | L45 V70 L74 L101 G155 R159 L178 C179 L181 | L45-F157 HydrophobicContact CD1-CD1 3.6Å; L45-F157 HydrophobicContact CD1-CE1 4.15Å; L45-F157 HydrophobicContact CD1-CG 4.29Å; V70-F157 HydrophobicContact CG1-CE1 4.33Å; L74-F157 HydrophobicContact CD1-CE1 4.21Å; L74-F157 HydrophobicContact CD1-CE2 3.88Å; L74-F157 HydrophobicContact CD1-CZ 3.49Å; L74-F157 VanDerWaalsContact CD1-CZ 3.49Å; L101-F157 HydrophobicContact CD1-CB 3.68Å; L101-F157 HydrophobicContact CD1-CD1 4.26Å; L101-F157 HydrophobicContact CD1-CD2 4.28Å; L101-F157 HydrophobicContact CD1-CG 3.81Å; L101-F157 HydrophobicContact CD2-CB 3.81Å; L101-F157 HydrophobicContact CG-CB 4.31Å; G155-F157 WeakPolarHBondContact O-CE2 3.47Å; F157-R159 PolarHBondContact O-N 2.93Å; F157-L178 CarbonylContact O-C 3.47Å; F157-L178 WeakPolarHBondContact O-CA 3.44Å; F157-C179 PolarHBondContact N-O 3.04Å; F157-C179 PolarHBondContact O-N 2.83Å; F157-L181 HydrophobicContact CD2-CB 4.38Å; F157-L181 HydrophobicContact CD2-CD1 4.14Å; F157-L181 HydrophobicContact CD2-CG 3.85Å; F157-L181 HydrophobicContact CE2-CB 4.19Å; F157-L181 HydrophobicContact CE2-CD1 4.16Å; F157-L181 HydrophobicContact CE2-CG 4.06Å |
| 158 | I | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.9 | 176.5 | -54.9 | 171 | 0 | 0 | 0 | 108.5 | L46 I49 V102 M149 I151 L178 | L46-I158 HydrophobicContact CB-CD1 4.16Å; L46-I158 HydrophobicContact CD2-CD1 4.06Å; L46-I158 HydrophobicContact CG-CD1 4.08Å; L46-I158 WeakPolarHBondContact O-CD1 3.4Å; I49-I158 HydrophobicContact CD1-CD1 4.07Å; V102-I158 HydrophobicContact CB-CB 4.22Å; V102-I158 HydrophobicContact CB-CG2 3.99Å; V102-I158 HydrophobicContact CG2-CG2 3.87Å; V102-I158 PolarHBondContact N-O 3.5Å; M149-I158 HydrophobicContact CE-CD1 3.32Å; M149-I158 HydrophobicContact CE-CG1 3.96Å; I151-I158 HydrophobicContact CD1-CG1 4.15Å; I151-I158 HydrophobicContact CG1-CG1 4.26Å; I158-L178 HydrophobicContact CB-CD2 4.4Å; I158-L178 HydrophobicContact CG1-CD2 3.74Å |
| 159 | R | 96 | Very high | 94.4 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 15% | 0.151 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -19 | 174.8 | -159.5 | -172.3 | 167.3 | -179.1 | -4.1 | 112.5 | T95 C96 G100 L101 F157 I177 | T95-R159 HydrophobicContact CG2-CB 4.42Å; T95-R159 HydrophobicContact CG2-CG 3.72Å; T95-R159 VanDerWaalsContact CG2-NE 3.35Å; C96-R159 PolarHBondContact N-O 2.74Å; G100-R159 WeakPolarHBondContact O-CG 3.14Å; L101-R159 HydrophobicContact CD2-CB 4.41Å; L101-R159 HydrophobicContact CD2-CG 4.42Å; F157-R159 PolarHBondContact O-N 2.93Å; R159-I177 HydrophobicContact CB-CG2 4.29Å; R159-I177 PolarHBondContact N-O 2.84Å |
| 160 | G | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -162.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S94 I177 | S94-G160 CarbonylContact O-C 3.6Å; S94-G160 VanDerWaalsContact O-CA 3.28Å; S94-G160 WeakPolarHBondContact O-CA 3.47Å; G160-I177 PolarHBondContact O-N 3.05Å |
| 161 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 156.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T93 S94 F120 W174 K175 Y176 | T93-A161 WeakPolarHBondContact CA-O 3.32Å; S94-A161 PolarHBondContact N-O 2.05Å; S94-A161 PolarHBondContact O-N 3.14Å; F120-A161 HydrophobicContact CE2-CB 4.05Å; F120-A161 HydrophobicContact CZ-CB 3.83Å; A161-W174 HydrophobicContact CB-CE3 3.75Å; A161-W174 HydrophobicContact CB-CZ3 4.08Å; A161-K175 CarbonylContact C-O 3.54Å; A161-K175 VanDerWaalsContact CA-O 3.3Å; A161-K175 WeakPolarHBondContact CA-O 3.03Å; A161-Y176 HydrophobicContact CB-CD1 3.93Å; A161-Y176 HydrophobicContact CB-CE1 4.3Å |
| 162 | Q | 97.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.2 | 162.4 | 172.6 | 174.7 | -0.8 | 0 | 0 | 108.4 | W92 T93 K175 | W92-Q162 CarbonylContact O-C 3.57Å; W92-Q162 WeakPolarHBondContact O-CA 3.49Å; T93-Q162 HydrophobicContact CG2-CB 4.28Å; T93-Q162 WeakPolarHBondContact OG1-CG 3.04Å; Q162-K175 HydrophobicContact CB-CB 4.49Å; Q162-K175 PolarHBondContact N-O 3.07Å; Q162-K175 PolarHBondContact O-N 3.33Å |
| 163 | T | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.5 | -178 | 64 | 0 | 0 | 0 | 0 | 111.9 | E91 W92 R172 Q173 W174 | E91-T163 WeakPolarHBondContact CA-O 3.37Å; E91-T163 WeakPolarHBondContact CB-O 3.2Å; W92-T163 WeakPolarHBondContact CB-OG1 3.01Å; W92-T163 HydrophobicContact CE3-CG2 4.16Å; W92-T163 PolarHBondContact N-O 3.11Å; W92-T163 PolarHBondContact N-OG1 2.83Å; W92-T163 PolarHBondContact O-N 3.27Å; W92-T163 PolarHBondContact O-OG1 2.85Å; W92-T163 VanDerWaalsContact O-OG1 3.08Å; T163-R172 HydrophobicContact CG2-CG 4.4Å; T163-R172 PolarHBondContact OG1-NH1 3.38Å; T163-Q173 WeakPolarHBondContact CA-O 3.12Å; T163-Q173 WeakPolarHBondContact CB-O 3.33Å; T163-W174 HydrophobicContact CG2-CD2 3.33Å; T163-W174 HydrophobicContact CG2-CE3 3.18Å; T163-W174 HydrophobicContact CG2-CG 3.99Å; T163-W174 HydrophobicContact CG2-CH2 3.78Å; T163-W174 HydrophobicContact CG2-CZ2 3.92Å; T163-W174 HydrophobicContact CG2-CZ3 3.42Å; T163-W174 VanDerWaalsContact CG2-CZ3 3.42Å |
| 164 | T | 96.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 37 Ų | 37 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | 173.9 | 51.1 | 0 | 0 | 0 | 0 | 109 | Y143 R172 Q173 | Y143-T164 PolarHBondContact OH-OG1 2.79Å; T164-R172 VanDerWaalsContact O-CA 3.28Å; T164-R172 WeakPolarHBondContact O-CA 3.08Å; T164-R172 VanDerWaalsContact O-CG 3.31Å; T164-R172 WeakPolarHBondContact O-CG 3.16Å; T164-Q173 PolarHBondContact N-O 3.06Å; T164-Q173 VanDerWaalsContact N-O 3.09Å; T164-Q173 PolarHBondContact O-N 2.89Å |
| 165 | F | 96 | Very high | 96.2 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.3 | -178.9 | 174.1 | -105.5 | 0 | 0 | 0 | 110.7 | G89 D115 D171 | G89-F165 WeakPolarHBondContact O-CD1 3.14Å; D115-F165 HydrophobicContact CB-CD2 4.08Å; D115-F165 HydrophobicContact CB-CE2 3.49Å; D115-F165 VanDerWaalsContact CB-CE2 3.49Å; D115-F165 HydrophobicContact CB-CZ 3.81Å; D115-F165 VanDerWaalsContact CG-CD2 3.46Å; D115-F165 VanDerWaalsContact CG-CE2 3.42Å; F165-D171 WeakPolarHBondContact CD2-O 3.44Å |
| 166 | S | 96.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 15% | 0.154 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.2 | 172.5 | 179 | 0 | 0 | 0 | 0 | 110.4 | V168 L169 R170 D171 | S166-V168 PolarHBondContact O-N 2.89Å; S166-L169 PolarHBondContact O-N 2.66Å; S166-L169 WeakPolarHBondContact OG-CB 3.34Å; S166-L169 PolarHBondContact OG-N 2.64Å; S166-L169 VanDerWaalsContact OG-N 3.09Å; S166-R170 VanDerWaalsContact O-CA 3.24Å; S166-R170 WeakPolarHBondContact O-CA 3.46Å; S166-R170 PolarHBondContact O-N 3.23Å; S166-D171 PolarHBondContact N-O 2.81Å; S166-D171 PolarHBondContact O-N 2.85Å |
| 167 | G | 94.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | R170 | G167-R170 WeakPolarHBondContact O-CD 3.47Å; G167-R170 PolarHBondContact O-NE 2.84Å; G167-R170 PolarHBondContact O-NH2 2.59Å |
| 168 | V | 94.9 | Very high | 96.9 | Very high | 128 Ų | 128 | 28.6 Ų | 28.6 | 78% | 0.776 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -49 | 175.2 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | S166 R170 | S166-V168 PolarHBondContact O-N 2.89Å; V168-R170 VanDerWaalsContact C-N 3.34Å |
| 169 | L | 96.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 30% | 0.298 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.8 | -176.1 | -59.6 | 176.2 | 0 | 0 | 0 | 112.8 | Y143 R144 S166 | Y143-L169 VanDerWaalsContact CB-CD1 3.47Å; Y143-L169 HydrophobicContact CD2-CD1 3.79Å; Y143-L169 HydrophobicContact CG-CD1 3.78Å; R144-L169 PolarHBondContact NE-O 2.84Å; R144-L169 PolarHBondContact NH2-O 3.5Å; S166-L169 PolarHBondContact O-N 2.66Å; S166-L169 WeakPolarHBondContact OG-CB 3.34Å; S166-L169 PolarHBondContact OG-N 2.64Å; S166-L169 VanDerWaalsContact OG-N 3.09Å |
| 170 | R | 96.4 | Very high | 96.6 | Very high | 86 Ų | 86 | 31 Ų | 31 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 51.9 | -177 | -58.7 | -62.6 | -179.5 | 169.5 | -8.6 | 111.5 | S59 T113 L114 S166 G167 V168 | S59-R170 VanDerWaalsContact CB-CB 3.43Å; S59-R170 VanDerWaalsContact CB-O 3.28Å; S59-R170 WeakPolarHBondContact CB-O 3.21Å; S59-R170 VanDerWaalsContact O-O 3.1Å; T113-R170 PolarHBondContact O-NH1 2.04Å; L114-R170 HydrophobicContact CB-CB 4.24Å; L114-R170 HydrophobicContact CB-CG 4.28Å; L114-R170 HydrophobicContact CD1-CG 4.24Å; S166-R170 VanDerWaalsContact O-CA 3.24Å; S166-R170 WeakPolarHBondContact O-CA 3.46Å; S166-R170 PolarHBondContact O-N 3.23Å; G167-R170 WeakPolarHBondContact O-CD 3.47Å; G167-R170 PolarHBondContact O-NE 2.84Å; G167-R170 PolarHBondContact O-NH2 2.59Å; V168-R170 VanDerWaalsContact C-N 3.34Å |
| 171 | D | 97.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162.9 | -174.7 | -173 | 34.4 | 0 | 0 | 0 | 111.1 | F53 R61 Y143 R144 F165 S166 | F53-D171 HydrophobicContact CD2-CB 4.29Å; F53-D171 HydrophobicContact CE2-CB 3.8Å; F53-D171 HydrophobicContact CZ-CB 4.43Å; R61-D171 IonicContact CZ-OD1 2.77Å; R61-D171 IonicContact CZ-OD2 3.18Å; R61-D171 IonicContact NE-OD1 3.14Å; R61-D171 PolarHBondContact NE-OD1 2.9Å; R61-D171 IonicContact NE-OD2 3.56Å; R61-D171 VanDerWaalsContact NH2-CG 3.25Å; R61-D171 IonicContact NH2-OD1 3.05Å; R61-D171 PolarHBondContact NH2-OD1 3.25Å; R61-D171 VanDerWaalsContact NH2-OD1 3.13Å; R61-D171 IonicContact NH2-OD2 2.91Å; R61-D171 PolarHBondContact NH2-OD2 3.44Å; Y143-D171 WeakPolarHBondContact CA-OD2 3.05Å; Y143-D171 HydrophobicContact CD1-CB 3.92Å; Y143-D171 WeakPolarHBondContact CD1-O 3.21Å; Y143-D171 WeakPolarHBondContact CE1-O 3.29Å; R144-D171 PolarHBondContact N-OD2 2.04Å; F165-D171 WeakPolarHBondContact CD2-O 3.44Å; S166-D171 PolarHBondContact N-O 2.81Å; S166-D171 PolarHBondContact O-N 2.85Å |
| 172 | R | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.1 | -170.8 | -170.9 | 173.2 | -72.8 | -88.9 | 2.8 | 111.8 | L90 D115 T163 T164 | L90-R172 PolarHBondContact O-NH1 2.78Å; L90-R172 PolarHBondContact O-NH2 2.78Å; D115-R172 IonicContact OD1-CZ 2.87Å; D115-R172 IonicContact OD1-NE 3.77Å; D115-R172 PolarHBondContact OD1-NE 2.92Å; D115-R172 IonicContact OD1-NH2 3.75Å; D115-R172 IonicContact OD2-CZ 3.76Å; D115-R172 IonicContact OD2-NE 3.63Å; D115-R172 IonicContact OD2-NH2 2.65Å; D115-R172 PolarHBondContact OD2-NH2 3.41Å; T163-R172 HydrophobicContact CG2-CG 4.4Å; T163-R172 PolarHBondContact OG1-NH1 3.38Å; T164-R172 VanDerWaalsContact O-CA 3.28Å; T164-R172 WeakPolarHBondContact O-CA 3.08Å; T164-R172 VanDerWaalsContact O-CG 3.31Å; T164-R172 WeakPolarHBondContact O-CG 3.16Å |
| 173 | Q | 97.8 | Very high | 95 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.7 | 170.2 | -65.2 | -179.6 | -65.9 | 0 | 0 | 110.6 | D138 P140 E141 Y143 T163 T164 | D138-Q173 HydrophobicContact CB-CB 4.24Å; P140-Q173 PolarHBondContact O-NE2 2.89Å; E141-Q173 PolarHBondContact O-NE2 2.96Å; Y143-Q173 HydrophobicContact CD1-CG 3.87Å; Y143-Q173 HydrophobicContact CD2-CG 4.45Å; Y143-Q173 HydrophobicContact CE1-CB 4.44Å; Y143-Q173 HydrophobicContact CE1-CG 3.71Å; Y143-Q173 HydrophobicContact CE2-CG 4.29Å; Y143-Q173 HydrophobicContact CG-CG 4.24Å; Y143-Q173 VanDerWaalsContact CZ-OE1 3.25Å; Y143-Q173 PolarHBondContact OH-OE1 3.14Å; T163-Q173 WeakPolarHBondContact CA-O 3.12Å; T163-Q173 WeakPolarHBondContact CB-O 3.33Å; T164-Q173 PolarHBondContact N-O 3.06Å; T164-Q173 VanDerWaalsContact N-O 3.09Å; T164-Q173 PolarHBondContact O-N 2.89Å |
| 174 | W | 98 | Very high | 94.3 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.5 | -173.7 | -63 | 74.5 | 0 | 0 | 0 | 111.1 | W63 W92 W118 F120 D138 V139 A161 T163 Y176 | W63-W174 AromaticContact CH2-CE2 3.88Å; W63-W174 HydrophobicContact CH2-CZ2 4.16Å; W63-W174 AromaticContact CH2-NE1 3.51Å; W92-W174 HydrophobicContact CE3-CH2 4.22Å; W92-W174 HydrophobicContact CE3-CZ3 4.23Å; W92-W174 AromaticContact CZ3-CH2 3.76Å; W92-W174 HydrophobicContact CZ3-CH2 3.76Å; W92-W174 AromaticContact CZ3-CZ3 3.68Å; W92-W174 HydrophobicContact CZ3-CZ3 3.68Å; W118-W174 HydrophobicContact CB-CH2 4.44Å; W118-W174 AromaticContact CD2-CH2 3.46Å; W118-W174 HydrophobicContact CD2-CH2 3.46Å; W118-W174 VanDerWaalsContact CD2-CH2 3.46Å; W118-W174 AromaticContact CD2-CZ2 3.67Å; W118-W174 HydrophobicContact CD2-CZ2 3.67Å; W118-W174 AromaticContact CE2-CH2 3.8Å; W118-W174 AromaticContact CE2-CZ2 3.47Å; W118-W174 VanDerWaalsContact CE2-CZ2 3.47Å; W118-W174 AromaticContact CE3-CH2 3.62Å; W118-W174 HydrophobicContact CE3-CH2 3.62Å; W118-W174 AromaticContact CE3-CZ2 3.98Å; W118-W174 HydrophobicContact CE3-CZ2 3.98Å; W118-W174 AromaticContact CG-CH2 3.81Å; W118-W174 HydrophobicContact CG-CH2 3.81Å; W118-W174 HydrophobicContact CG-CZ2 4.24Å; W118-W174 HydrophobicContact CH2-CH2 4.45Å; W118-W174 HydrophobicContact CH2-CZ2 4.01Å; W118-W174 HydrophobicContact CZ2-CH2 4.3Å; W118-W174 AromaticContact CZ2-CZ2 3.67Å; W118-W174 HydrophobicContact CZ2-CZ2 3.67Å; W118-W174 HydrophobicContact CZ3-CH2 4.11Å; W118-W174 HydrophobicContact CZ3-CZ2 4.12Å; W118-W174 AromaticContact NE1-CZ2 3.87Å; F120-W174 HydrophobicContact CZ-CZ3 4.07Å; D138-W174 CarbonylContact C-O 3.56Å; D138-W174 WeakPolarHBondContact CA-O 3.33Å; V139-W174 PolarHBondContact N-O 2.81Å; V139-W174 WeakPolarHBondContact O-CB 3.34Å; V139-W174 PolarHBondContact O-N 3.19Å; A161-W174 HydrophobicContact CB-CE3 3.75Å; A161-W174 HydrophobicContact CB-CZ3 4.08Å; T163-W174 HydrophobicContact CG2-CD2 3.33Å; T163-W174 HydrophobicContact CG2-CE3 3.18Å; T163-W174 HydrophobicContact CG2-CG 3.99Å; T163-W174 HydrophobicContact CG2-CH2 3.78Å; T163-W174 HydrophobicContact CG2-CZ2 3.92Å; T163-W174 HydrophobicContact CG2-CZ3 3.42Å; T163-W174 VanDerWaalsContact CG2-CZ3 3.42Å; W174-Y176 HydrophobicContact CB-CD2 4.41Å; W174-Y176 HydrophobicContact CB-CE1 4.24Å; W174-Y176 HydrophobicContact CB-CE2 3.76Å; W174-Y176 HydrophobicContact CD2-CE1 4.48Å; W174-Y176 AromaticContact CE3-CE1 3.96Å; W174-Y176 HydrophobicContact CE3-CE1 3.96Å |
| 175 | K | 98.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 107.9 | 163.4 | -63.2 | -173.1 | -173.8 | -62.4 | 0 | 108.1 | D138 A161 Q162 | D138-K175 WeakPolarHBondContact OD1-CE 3.2Å; D138-K175 VanDerWaalsContact OD1-CG 3.28Å; D138-K175 WeakPolarHBondContact OD1-CG 3.35Å; D138-K175 IonicContact OD1-NZ 3.4Å; D138-K175 PolarHBondContact OD1-NZ 2.86Å; D138-K175 IonicContact OD2-NZ 3.92Å; D138-K175 PolarHBondContact OD2-NZ 3.31Å; A161-K175 CarbonylContact C-O 3.54Å; A161-K175 VanDerWaalsContact CA-O 3.3Å; A161-K175 WeakPolarHBondContact CA-O 3.03Å; Q162-K175 HydrophobicContact CB-CB 4.49Å; Q162-K175 PolarHBondContact N-O 3.07Å; Q162-K175 PolarHBondContact O-N 3.33Å |
| 176 | Y | 98 | Very high | 92.5 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 139.4 | 179.9 | -59.9 | -78.8 | 0 | 0 | 0 | 110.5 | I49 K135 T136 V139 M149 A161 W174 | I49-Y176 HydrophobicContact CD1-CD1 3.88Å; I49-Y176 HydrophobicContact CD1-CE1 3.22Å; K135-Y176 CarbonylContact C-O 3.25Å; K135-Y176 VanDerWaalsContact CA-O 3.29Å; K135-Y176 WeakPolarHBondContact CA-O 2.88Å; T136-Y176 PolarHBondContact N-O 3.13Å; T136-Y176 PolarHBondContact OG1-N 3.05Å; V139-Y176 HydrophobicContact CB-CE2 3.98Å; V139-Y176 HydrophobicContact CG1-CE2 4.31Å; V139-Y176 HydrophobicContact CG2-CD2 4.39Å; V139-Y176 HydrophobicContact CG2-CE2 4.23Å; M149-Y176 HydrophobicContact CB-CD2 3.85Å; M149-Y176 HydrophobicContact CB-CE2 3.61Å; M149-Y176 HydrophobicContact CE-CD1 3.81Å; M149-Y176 HydrophobicContact CE-CD2 3.67Å; M149-Y176 HydrophobicContact CE-CE1 4.18Å; M149-Y176 HydrophobicContact CE-CE2 3.99Å; M149-Y176 HydrophobicContact CE-CG 3.53Å; M149-Y176 HydrophobicContact CG-CD2 3.55Å; M149-Y176 HydrophobicContact CG-CE2 3.89Å; M149-Y176 HydrophobicContact CG-CG 4.29Å; M149-Y176 HydrophobicContact SD-CD2 4.37Å; A161-Y176 HydrophobicContact CB-CD1 3.93Å; A161-Y176 HydrophobicContact CB-CE1 4.3Å; W174-Y176 HydrophobicContact CB-CD2 4.41Å; W174-Y176 HydrophobicContact CB-CE1 4.24Å; W174-Y176 HydrophobicContact CB-CE2 3.76Å; W174-Y176 HydrophobicContact CD2-CE1 4.48Å; W174-Y176 AromaticContact CE3-CE1 3.96Å; W174-Y176 HydrophobicContact CE3-CE1 3.96Å |
| 177 | I | 97.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108.5 | 176.6 | -59.5 | 164.9 | 0 | 0 | 0 | 106.8 | T95 K135 R159 G160 | T95-I177 WeakPolarHBondContact OG1-CD1 3.47Å; K135-I177 HydrophobicContact CD-CG1 4.5Å; K135-I177 HydrophobicContact CG-CG1 3.96Å; R159-I177 HydrophobicContact CB-CG2 4.29Å; R159-I177 PolarHBondContact N-O 2.84Å; G160-I177 PolarHBondContact O-N 3.05Å |
| 178 | L | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.9 | -179.7 | -53 | -176.6 | 0 | 0 | 0 | 109.3 | C133 M134 T136 P152 Y156 F157 I158 | C133-L178 CarbonylContact C-O 3.51Å; C133-L178 WeakPolarHBondContact CA-O 3.34Å; M134-L178 HydrophobicContact CG-CB 4.23Å; M134-L178 PolarHBondContact N-O 3.04Å; M134-L178 PolarHBondContact O-N 3.42Å; T136-L178 HydrophobicContact CG2-CD1 3.85Å; T136-L178 HydrophobicContact CG2-CG 4.14Å; P152-L178 HydrophobicContact CG-CD1 4.15Å; Y156-L178 HydrophobicContact CD1-CB 3.99Å; F157-L178 CarbonylContact O-C 3.47Å; F157-L178 WeakPolarHBondContact O-CA 3.44Å; I158-L178 HydrophobicContact CB-CD2 4.4Å; I158-L178 HydrophobicContact CG1-CD2 3.74Å |
| 179 | C | 95.6 | Very high | 88 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | P130 C133 Y156 F157 | P130-C179 HydrophobicContact CB-CB 3.73Å; C133-C179 HydrophobicContact CB-CB 4.14Å; C133-C179 WeakPolarHBondContact CB-SG 3.39Å; C133-C179 WeakPolarHBondContact SG-CB 3.16Å; C133-C179 CovalentContact SG-SG 2.04Å; C133-C179 PolarHBondContact SG-SG 3.5Å; Y156-C179 CarbonylContact C-O 3.34Å; Y156-C179 WeakPolarHBondContact CA-O 3.41Å; F157-C179 PolarHBondContact N-O 3.04Å; F157-C179 PolarHBondContact O-N 2.83Å |
| 180 | R | 93.1 | Very high | 85.9 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 154.2 | 164.7 | -66.9 | -175.2 | 156.9 | -175.4 | -6.4 | 110.4 | P130 Y131 G155 Y156 | P130-R180 CarbonylContact C-O 3.58Å; P130-R180 WeakPolarHBondContact CA-O 3.35Å; Y131-R180 HydrophobicContact CD1-CB 4.1Å; Y131-R180 WeakPolarHBondContact CD1-O 3.32Å; Y131-R180 HydrophobicContact CD2-CB 4.46Å; Y131-R180 HydrophobicContact CE1-CB 3.68Å; Y131-R180 HydrophobicContact CE2-CB 4.05Å; Y131-R180 HydrophobicContact CG-CB 4.47Å; Y131-R180 PolarHBondContact N-O 2.87Å; Y131-R180 PolarHBondContact O-N 3.33Å; G155-R180 WeakPolarHBondContact O-CA 3.29Å; Y156-R180 HydrophobicContact CD1-CG 4.01Å; Y156-R180 HydrophobicContact CD2-CG 4.32Å; Y156-R180 HydrophobicContact CE1-CG 3.8Å; Y156-R180 HydrophobicContact CE2-CG 4.14Å; Y156-R180 HydrophobicContact CG-CG 4.27Å |
| 181 | L | 89.7 | Confident | 83.4 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141.1 | 171.8 | -73 | -174.5 | 0 | 0 | 0 | 111.7 | L74 L101 R128 C129 P130 Y131 F157 | L74-L181 HydrophobicContact CD1-CB 4.44Å; L74-L181 HydrophobicContact CD1-CD1 3.55Å; L74-L181 HydrophobicContact CD2-CB 3.86Å; L74-L181 HydrophobicContact CD2-CD1 3.87Å; L74-L181 HydrophobicContact CG-CD1 4.33Å; L101-L181 HydrophobicContact CD1-CD1 3.38Å; L101-L181 HydrophobicContact CD1-CD2 4.18Å; L101-L181 HydrophobicContact CD1-CG 3.95Å; L101-L181 HydrophobicContact CD2-CD2 4.42Å; L101-L181 HydrophobicContact CG-CD1 4.48Å; R128-L181 HydrophobicContact CB-CD1 4.31Å; R128-L181 HydrophobicContact CB-CD2 4.44Å; C129-L181 WeakPolarHBondContact O-CA 3.2Å; P130-L181 HydrophobicContact CB-CD2 4.36Å; Y131-L181 WeakPolarHBondContact CE1-O 3.03Å; F157-L181 HydrophobicContact CD2-CB 4.38Å; F157-L181 HydrophobicContact CD2-CD1 4.14Å; F157-L181 HydrophobicContact CD2-CG 3.85Å; F157-L181 HydrophobicContact CE2-CB 4.19Å; F157-L181 HydrophobicContact CE2-CD1 4.16Å; F157-L181 HydrophobicContact CE2-CG 4.06Å |
| 182 | T | 87.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | trans | -59 | 145 | 175.3 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | R128 C129 Y131 F184 | R128-T182 WeakPolarHBondContact CD-O 3.43Å; R128-T182 PolarHBondContact NH1-O 3.25Å; C129-T182 HydrophobicContact CB-CG2 4.16Å; C129-T182 PolarHBondContact N-OG1 2.78Å; C129-T182 PolarHBondContact O-N 2.76Å; Y131-T182 HydrophobicContact CD1-CG2 3.75Å; Y131-T182 HydrophobicContact CE1-CG2 4.14Å; T182-F184 VanDerWaalsContact C-N 3.34Å; T182-F184 WeakPolarHBondContact CB-O 2.94Å; T182-F184 HydrophobicContact CG2-CD2 4.45Å; T182-F184 HydrophobicContact CG2-CE1 3.91Å; T182-F184 HydrophobicContact CG2-CE2 3.82Å; T182-F184 HydrophobicContact CG2-CZ 3.51Å; T182-F184 PolarHBondContact OG1-O 3.41Å | ||
| 183 | D | 81 | Confident | 82 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -84.7 | -13.8 | 169.4 | 60.9 | -18.3 | 0 | 0 | 0 | 112.3 | R128 | R128-D183 VanDerWaalsContact NH1-CA 3.27Å; R128-D183 PolarHBondContact NH1-O 2.77Å |
| 184 | F | 81.3 | Confident | 81.1 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -105 | 161.1 | 173.7 | 58.5 | -94 | 0 | 0 | 0 | 113.2 | T182 C186 | T182-F184 VanDerWaalsContact C-N 3.34Å; T182-F184 WeakPolarHBondContact CB-O 2.94Å; T182-F184 HydrophobicContact CG2-CD2 4.45Å; T182-F184 HydrophobicContact CG2-CE1 3.91Å; T182-F184 HydrophobicContact CG2-CE2 3.82Å; T182-F184 HydrophobicContact CG2-CZ 3.51Å; T182-F184 PolarHBondContact OG1-O 3.41Å; F184-C186 PolarHBondContact O-N 3.25Å |
| 185 | D | 78.6 | Confident | 80.1 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | trans | -68.1 | 119.3 | 174.3 | -76.1 | -4.9 | 0 | 0 | 0 | 110.4 | R127 | R127-D185 HydrophobicContact CB-CB 3.76Å; R127-D185 VanDerWaalsContact CB-OD1 3.27Å; R127-D185 WeakPolarHBondContact CB-OD1 3.27Å; R127-D185 WeakPolarHBondContact CD-OD2 3.17Å; R127-D185 HydrophobicContact CG-CB 4.43Å; R127-D185 IonicContact CZ-OD2 2.7Å; R127-D185 IonicContact NE-OD2 2.81Å; R127-D185 IonicContact NH1-OD2 3.14Å; R127-D185 PolarHBondContact NH1-OD2 3.09Å; R127-D185 CarbonylContact O-C 3.44Å; R127-D185 WeakPolarHBondContact O-CA 3.44Å | ||
| 186 | C | 75.2 | Confident | 79 | Confident | 26 Ų | 26 | 76.9 Ų | 76.9 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | trans | -93.4 | 132.6 | 175.1 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | R127 C129 F184 F188 | R127-C186 PolarHBondContact O-N 2.76Å; C129-C186 VanDerWaalsContact CA-SG 3.58Å; C129-C186 HydrophobicContact CB-CB 3.56Å; C129-C186 WeakPolarHBondContact CB-SG 3.46Å; C129-C186 PolarHBondContact N-SG 3.33Å; C129-C186 WeakPolarHBondContact SG-CB 2.89Å; C129-C186 CovalentContact SG-SG 2.01Å; C129-C186 PolarHBondContact SG-SG 2.01Å; F184-C186 PolarHBondContact O-N 3.25Å; C186-F188 VanDerWaalsContact C-N 3.33Å; C186-F188 PolarHBondContact O-N 3.48Å | ||
| 187 | E | 69.4 | Low | 77.8 | Confident | 179 Ų | 179 | 81.7 Ų | 81.7 | 84% | 0.836 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -84 | -3.6 | -176.6 | -61.7 | -166 | 161 | 0 | 0 | 114 | ||
| 188 | F | 63.4 | Low | 76.3 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 69% | 0.689 | 42% | 0.419 | S | S | * | . | trans | -126 | 131.8 | -173.2 | -55.9 | -76.3 | 0 | 0 | 0 | 112.4 | N99 C129 C186 | N99-F188 PolarHBondContact ND2-O 3.5Å; C129-F188 PolarHBondContact SG-O 3.28Å; C186-F188 VanDerWaalsContact C-N 3.33Å; C186-F188 PolarHBondContact O-N 3.48Å | ||
| 189 | E | 58.5 | Low | 74.7 | Confident | 92 Ų | 92 | 92.9 Ų | 92.9 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | trans | -78.1 | 120.7 | 160 | -66.2 | -173.6 | 165.4 | 0 | 0 | 107.4 | R98 L191 | R98-E189 IonicContact NE-OE1 3.13Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.98Å | ||
| 190 | N | 53 | Low | 72.9 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | trans | -73.9 | 95.6 | 167.5 | -75.6 | -49.4 | 0 | 0 | 0 | 106.3 | ||||
| 191 | L | 44.7 | Very low | 71.1 | Confident | 224 Ų | 224 | 101.4 Ų | 101.4 | 100% | 1.173 | 50% | 0.502 | S | S | * | . | trans | -66.2 | 0 | 171.9 | -71.9 | 167.9 | 0 | 0 | 0 | 110.8 | E189 | E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 2.98Å |
Retrieved 191 of 191 residues in 56.2 ms
(Link to these results)