| 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 | 52.1 | Low | 47.7 | Very low | 247 Ų | 247 | 142.3 Ų | 142.3 | 100% | 1.217 | 80% | 0.803 | S | S | * | * | 0 | 94.8 | 0 | -69.7 | -79.8 | -173.1 | 0 | 0 | 107 | |||||
| 2 | A | 45.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -165.9 | 91.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | A4 | A2-A4 PolarHBondContact O-N 3.38Š| ||
| 3 | D | 46.2 | Very low | 47.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -61.9 | 117.4 | 178.2 | -141.1 | -103.3 | 0 | 0 | 0 | 107.9 | E5 | D3-E5 PolarHBondContact O-N 3.26Š| ||
| 4 | A | 51.7 | Low | 47.7 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -80.8 | 98.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | A2 L6 | A2-A4 PolarHBondContact O-N 3.38Å; A4-L6 VanDerWaalsContact C-N 3.32Å; A4-L6 PolarHBondContact O-N 2.85Å | ||
| 5 | E | 51.5 | Low | 48.3 | Very low | 183 Ų | 183 | 129.3 Ų | 129.3 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -56.7 | 95.5 | 170.6 | -68.7 | 170.9 | 90.1 | 0 | 0 | 108.6 | D3 D7 | D3-E5 PolarHBondContact O-N 3.26Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 2.83Å | ||
| 6 | L | 49.8 | Very low | 50 | Low | 135 Ų | 135 | 126.2 Ų | 126.2 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | trans | -72.4 | 92.7 | 169.3 | -77.5 | 155.9 | 0 | 0 | 0 | 107.1 | A4 F8 | A4-L6 VanDerWaalsContact C-N 3.32Å; A4-L6 PolarHBondContact O-N 2.85Å; L6-F8 HydrophobicContact CB-CD2 3.88Å; L6-F8 HydrophobicContact CB-CE2 3.8Å; L6-F8 HydrophobicContact CD1-CE2 4.24Å; L6-F8 HydrophobicContact CG-CE2 4.45Å; L6-F8 PolarHBondContact O-N 3.07Å | ||
| 7 | D | 45.9 | Very low | 52 | Low | 126 Ų | 126 | 120.7 Ų | 120.7 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | trans | -63 | 84.9 | 164.7 | -161.6 | -127.8 | 0 | 0 | 0 | 107.7 | E5 Q9 | E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 2.83Å; D7-Q9 PolarHBondContact O-N 2.86Å; D7-Q9 WeakPolarHBondContact OD1-CG 3.18Å; D7-Q9 PolarHBondContact OD1-NE2 2.92Å | ||
| 8 | F | 47.9 | Very low | 54.2 | Low | 170 Ų | 170 | 115.4 Ų | 115.4 | 75% | 0.746 | 70% | 0.703 | S | S | * | * | trans | -70.3 | 80 | 166.9 | -84.9 | -90.6 | 0 | 0 | 0 | 107.3 | L6 T10 | L6-F8 HydrophobicContact CB-CD2 3.88Å; L6-F8 HydrophobicContact CB-CE2 3.8Å; L6-F8 HydrophobicContact CD1-CE2 4.24Å; L6-F8 HydrophobicContact CG-CE2 4.45Å; L6-F8 PolarHBondContact O-N 3.07Å; F8-T10 VanDerWaalsContact C-N 3.28Å; F8-T10 PolarHBondContact O-N 3.06Å | ||
| 9 | Q | 45 | Very low | 56.2 | Low | 159 Ų | 159 | 113.3 Ų | 113.3 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -60.8 | 100.6 | 157.6 | -64.6 | -176.8 | -14.6 | 0 | 0 | 105.9 | D7 G11 | D7-Q9 PolarHBondContact O-N 2.86Å; D7-Q9 WeakPolarHBondContact OD1-CG 3.18Å; D7-Q9 PolarHBondContact OD1-NE2 2.92Å; Q9-G11 PolarHBondContact O-N 2.97Å | ||
| 10 | T | 47.1 | Very low | 58.1 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | trans | -54.6 | 93.6 | 163.7 | 10.4 | 0 | 0 | 0 | 0 | 106.4 | F8 D12 | F8-T10 VanDerWaalsContact C-N 3.28Å; F8-T10 PolarHBondContact O-N 3.06Å; T10-D12 PolarHBondContact O-N 2.76Å | ||
| 11 | G | 41.4 | Very low | 59.8 | Low | 65 Ų | 65 | 110 Ų | 110 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | trans | -62.2 | 105.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q9 A13 | Q9-G11 PolarHBondContact O-N 2.97Å; G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.14Å | ||
| 12 | D | 47.3 | Very low | 61.7 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | trans | -58.9 | 103.4 | 159.5 | -171.7 | 60.2 | 0 | 0 | 0 | 105.8 | T10 G14 | T10-D12 PolarHBondContact O-N 2.76Å; D12-G14 VanDerWaalsContact C-N 3.26Å; D12-G14 PolarHBondContact O-N 2.77Å | ||
| 13 | A | 47.5 | Very low | 63.8 | Low | 88 Ų | 88 | 97.3 Ų | 97.3 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | -72 | 81.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110 | G11 A15 | G11-A13 VanDerWaalsContact C-N 3.28Å; G11-A13 PolarHBondContact O-N 3.14Å; A13-A15 PolarHBondContact O-N 2.9Å | ||
| 14 | G | 48.6 | Very low | 65.9 | Low | 77 Ų | 77 | 92.4 Ų | 92.4 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | trans | 47.5 | 20.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | D12 S16 | D12-G14 VanDerWaalsContact C-N 3.26Å; D12-G14 PolarHBondContact O-N 2.77Å; G14-S16 PolarHBondContact O-N 2.96Å; G14-S16 VanDerWaalsContact O-N 3.16Å | ||
| 15 | A | 57.4 | Low | 67.8 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | trans | -76.6 | 106.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107 | A13 A17 | A13-A15 PolarHBondContact O-N 2.9Å; A15-A17 PolarHBondContact O-N 2.8Å | ||
| 16 | S | 74.4 | Confident | 69.8 | Low | 79 Ų | 79 | 82 Ų | 82 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | trans | -46.7 | 128.7 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | G14 T18 N84 | G14-S16 PolarHBondContact O-N 2.96Å; G14-S16 VanDerWaalsContact O-N 3.16Å; S16-T18 VanDerWaalsContact CB-O 3.25Å; S16-T18 WeakPolarHBondContact CB-O 3.45Å; S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact OG-O 2.79Å; S16-N84 PolarHBondContact O-ND2 2.77Å | ||
| 17 | A | 84.6 | Confident | 71.9 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 27% | 0.273 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -51.5 | -28 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 N84 M142 | A15-A17 PolarHBondContact O-N 2.8Å; A17-N84 PolarHBondContact O-N 3.33Å; A17-M142 HydrophobicContact CB-CB 4.07Å; A17-M142 HydrophobicContact CB-CG 4.26Å |
| 18 | T | 91.6 | Very high | 74.1 | Confident | 26 Ų | 26 | 83.8 Ų | 83.8 | 16% | 0.16 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 163 | 178.6 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | S16 V33 D81 V82 M142 | S16-T18 VanDerWaalsContact CB-O 3.25Å; S16-T18 WeakPolarHBondContact CB-O 3.45Å; S16-T18 PolarHBondContact O-N 3.38Å; S16-T18 PolarHBondContact OG-O 2.79Å; T18-V33 HydrophobicContact CG2-CG2 3.77Å; T18-D81 HydrophobicContact CG2-CB 4.19Å; T18-D81 PolarHBondContact OG1-OD1 2.97Å; T18-V82 CarbonylContact C-O 3.5Å; T18-V82 WeakPolarHBondContact CA-O 3.42Å; T18-V82 WeakPolarHBondContact CB-O 3.39Å; T18-M142 HydrophobicContact CG2-CE 3.94Å; T18-M142 HydrophobicContact CG2-CG 4.06Å; T18-M142 HydrophobicContact CG2-SD 4.07Å |
| 19 | F | 91.9 | Very high | 76.2 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.6 | 166.1 | 62.7 | -85.3 | 0 | 0 | 0 | 110.4 | M21 V82 N84 | F19-M21 HydrophobicContact CE2-CB 4.47Å; F19-M21 HydrophobicContact CE2-CE 3.72Å; F19-M21 HydrophobicContact CZ-CE 4.41Å; F19-V82 HydrophobicContact CD1-CB 4.25Å; F19-V82 HydrophobicContact CD1-CG1 4.43Å; F19-V82 WeakPolarHBondContact CD1-O 3.23Å; F19-V82 HydrophobicContact CD2-CB 4.21Å; F19-V82 HydrophobicContact CE1-CB 3.83Å; F19-V82 HydrophobicContact CE1-CG1 3.56Å; F19-V82 HydrophobicContact CE2-CB 3.79Å; F19-V82 HydrophobicContact CE2-CG1 3.98Å; F19-V82 HydrophobicContact CE2-CG2 4.28Å; F19-V82 HydrophobicContact CG-CB 4.44Å; F19-V82 HydrophobicContact CZ-CB 3.59Å; F19-V82 HydrophobicContact CZ-CG1 3.3Å; F19-V82 HydrophobicContact CZ-CG2 4.42Å; F19-V82 PolarHBondContact N-O 3.35Å; F19-V82 PolarHBondContact O-N 2.94Å; F19-N84 VanDerWaalsContact CD1-OD1 3.29Å; F19-N84 WeakPolarHBondContact CD1-OD1 3.39Å; F19-N84 WeakPolarHBondContact CE1-OD1 3.47Å |
| 20 | P | 93.8 | Very high | 78.6 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 59% | 0.591 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 135.5 | 179.3 | 29.4 | -33.9 | 0 | 0 | 0 | 110.9 | N79 | P20-N79 HydrophobicContact CB-CB 4.24Å |
| 21 | M | 93.4 | Very high | 80.9 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 140.8 | 171.5 | -175.8 | 174.5 | -79.3 | 0 | 0 | 110.3 | F19 C23 A25 L26 N79 M80 V82 | F19-M21 HydrophobicContact CE2-CB 4.47Å; F19-M21 HydrophobicContact CE2-CE 3.72Å; F19-M21 HydrophobicContact CZ-CE 4.41Å; M21-C23 PolarHBondContact O-N 2.8Å; M21-A25 HydrophobicContact CG-CB 3.88Å; M21-A25 HydrophobicContact SD-CB 4.18Å; M21-L26 HydrophobicContact CG-CD2 4.4Å; M21-L26 HydrophobicContact SD-CD2 3.94Å; M21-N79 CarbonylContact O-C 3.6Å; M21-N79 WeakPolarHBondContact O-CA 3.43Å; M21-M80 PolarHBondContact N-O 2.98Å; M21-M80 PolarHBondContact O-N 3.24Å; M21-V82 HydrophobicContact CB-CG2 3.57Å; M21-V82 HydrophobicContact CG-CG2 4.46Å; M21-V82 HydrophobicContact SD-CG2 4.26Å |
| 22 | Q | 93.5 | Very high | 83.4 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 134.9 | 177.6 | -165.7 | 178.2 | 28.6 | 0 | 0 | 111.1 | S24 A25 L26 S76 | Q22-S24 VanDerWaalsContact CD-OG 3.27Å; Q22-S24 WeakPolarHBondContact CG-OG 3.47Å; Q22-S24 PolarHBondContact O-N 2.87Å; Q22-S24 VanDerWaalsContact O-N 3.12Å; Q22-S24 PolarHBondContact OE1-OG 2.94Å; Q22-A25 HydrophobicContact CB-CB 4.39Å; Q22-A25 WeakPolarHBondContact O-CA 3.16Å; Q22-A25 WeakPolarHBondContact O-CB 3.45Å; Q22-A25 PolarHBondContact O-N 3.15Å; Q22-L26 PolarHBondContact O-N 3.39Å; Q22-S76 WeakPolarHBondContact CG-O 3.45Å |
| 23 | C | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -54.1 | -34.3 | -178.2 | 175.5 | 0 | 0 | 0 | 0 | 112 | M21 A25 L26 M44 V57 C74 H78 M80 | M21-C23 PolarHBondContact O-N 2.8Å; C23-A25 PolarHBondContact O-N 3.38Å; C23-L26 WeakPolarHBondContact O-CB 3.42Å; C23-L26 PolarHBondContact O-N 2.68Å; C23-M44 VanDerWaalsContact O-CE 3.31Å; C23-M44 WeakPolarHBondContact O-CE 3.49Å; C23-V57 VanDerWaalsContact SG-CB 3.52Å; C23-C74 HydrophobicContact CB-CB 4.16Å; C23-C74 WeakPolarHBondContact CB-SG 3.29Å; C23-C74 WeakPolarHBondContact SG-CB 3.46Å; C23-C74 CovalentContact SG-SG 2.08Å; C23-C74 PolarHBondContact SG-SG 3.16Å; C23-H78 VanDerWaalsContact CB-O 3.28Å; C23-H78 WeakPolarHBondContact CB-O 3.47Å; C23-H78 PolarHBondContact N-O 3.38Å; C23-M80 HydrophobicContact CB-CG 3.92Å |
| 24 | S | 89.6 | Confident | 87.9 | Confident | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -71.5 | -19.6 | 173.1 | 55.5 | 0 | 0 | 0 | 0 | 115.9 | Q22 R27 S76 | Q22-S24 VanDerWaalsContact CD-OG 3.27Å; Q22-S24 WeakPolarHBondContact CG-OG 3.47Å; Q22-S24 PolarHBondContact O-N 2.87Å; Q22-S24 VanDerWaalsContact O-N 3.12Å; Q22-S24 PolarHBondContact OE1-OG 2.94Å; S24-R27 PolarHBondContact O-NH1 2.99Å; S24-S76 WeakPolarHBondContact CB-O 3.42Å; S24-S76 PolarHBondContact N-O 3.38Å; S24-S76 PolarHBondContact OG-O 3.4Å |
| 25 | A | 92.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -84.5 | -17.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M21 Q22 C23 R27 | M21-A25 HydrophobicContact CG-CB 3.88Å; M21-A25 HydrophobicContact SD-CB 4.18Å; Q22-A25 HydrophobicContact CB-CB 4.39Å; Q22-A25 WeakPolarHBondContact O-CA 3.16Å; Q22-A25 WeakPolarHBondContact O-CB 3.45Å; Q22-A25 PolarHBondContact O-N 3.15Å; C23-A25 PolarHBondContact O-N 3.38Å; A25-R27 VanDerWaalsContact C-NH1 3.33Å; A25-R27 PolarHBondContact O-NH1 2.82Å; A25-R27 VanDerWaalsContact O-NH1 3.14Å |
| 26 | L | 93.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | trans | -60.6 | 151.9 | 173.8 | -61.7 | 175.3 | 0 | 0 | 0 | 111.4 | M21 Q22 C23 V32 I41 M44 L59 M80 V82 | M21-L26 HydrophobicContact CG-CD2 4.4Å; M21-L26 HydrophobicContact SD-CD2 3.94Å; Q22-L26 PolarHBondContact O-N 3.39Å; C23-L26 WeakPolarHBondContact O-CB 3.42Å; C23-L26 PolarHBondContact O-N 2.68Å; L26-V32 HydrophobicContact CD1-CB 4.23Å; L26-V32 HydrophobicContact CD1-CG2 3.85Å; L26-V32 HydrophobicContact CD2-CB 4.44Å; L26-I41 HydrophobicContact CB-CD1 3.94Å; L26-I41 HydrophobicContact CD1-CD1 4.35Å; L26-I41 HydrophobicContact CD2-CD1 4.31Å; L26-I41 HydrophobicContact CG-CD1 4.43Å; L26-M44 HydrophobicContact CB-CE 4.24Å; L26-M44 WeakPolarHBondContact O-CE 3.4Å; L26-M44 VanDerWaalsContact O-SD 3.32Å; L26-L59 HydrophobicContact CD1-CD1 3.72Å; L26-L59 HydrophobicContact CD1-CD2 4.35Å; L26-M80 HydrophobicContact CD1-CB 4.25Å; L26-M80 HydrophobicContact CD1-CG 4.31Å; L26-V82 HydrophobicContact CD2-CG2 3.76Å | ||
| 27 | R | 92.7 | Very high | 92.4 | Very high | 159 Ų | 159 | 59.4 Ų | 59.4 | 60% | 0.6 | 32% | 0.316 | S | S | * | . | trans | -138.1 | 153.8 | -177.9 | -63 | -66.6 | -180 | -93.1 | 0.2 | 110.2 | S24 A25 G30 I41 | S24-R27 PolarHBondContact O-NH1 2.99Å; A25-R27 VanDerWaalsContact C-NH1 3.33Å; A25-R27 PolarHBondContact O-NH1 2.82Å; A25-R27 VanDerWaalsContact O-NH1 3.14Å; R27-G30 WeakPolarHBondContact O-CA 3.47Å; R27-G30 PolarHBondContact O-N 3.35Å; R27-I41 WeakPolarHBondContact O-CD1 3.31Å | ||
| 28 | K | 92.4 | Very high | 92.9 | Very high | 140 Ų | 140 | 58 Ų | 58 | 61% | 0.609 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 141.5 | 169.4 | -173.6 | 177.8 | 177.4 | 171.2 | 0 | 109.9 | G30 V42 | K28-G30 PolarHBondContact O-N 2.83Å; K28-V42 WeakPolarHBondContact CE-O 3.22Å |
| 29 | N | 92.6 | Very high | 93.1 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 0 | -169.8 | -58.9 | -72.1 | 0 | 0 | 0 | 115.7 | K40 I41 | N29-K40 WeakPolarHBondContact OD1-CE 3.4Å; N29-I41 WeakPolarHBondContact CA-O 3.14Å; N29-I41 PolarHBondContact N-O 2.86Å |
| 30 | G | 94.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | trans | -74.3 | -178.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112 | R27 K28 I41 | R27-G30 WeakPolarHBondContact O-CA 3.47Å; R27-G30 PolarHBondContact O-N 3.35Å; K28-G30 PolarHBondContact O-N 2.83Å; G30-I41 PolarHBondContact O-N 3.23Å | ||
| 31 | F | 95.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.303 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.8 | 178.3 | -57.6 | -80 | 0 | 0 | 0 | 110.8 | C39 K40 I64 V82 P83 I85 | F31-C39 VanDerWaalsContact CA-O 3.3Å; F31-C39 WeakPolarHBondContact CA-O 3.37Å; F31-K40 HydrophobicContact CD1-CB 4.04Å; F31-K40 HydrophobicContact CD1-CG 4.42Å; F31-K40 HydrophobicContact CE1-CB 3.92Å; F31-K40 HydrophobicContact CE1-CD 4.46Å; F31-K40 HydrophobicContact CE1-CG 4.11Å; F31-I64 HydrophobicContact CD1-CG2 4.22Å; F31-I64 HydrophobicContact CE1-CG2 4.04Å; F31-V82 WeakPolarHBondContact O-CG1 3.5Å; F31-P83 HydrophobicContact CB-CG 3.92Å; F31-I85 HydrophobicContact CB-CD1 3.98Å; F31-I85 HydrophobicContact CD1-CD1 3.18Å; F31-I85 HydrophobicContact CD2-CD1 3.6Å; F31-I85 HydrophobicContact CD2-CG1 4.45Å; F31-I85 HydrophobicContact CE1-CD1 3.36Å; F31-I85 HydrophobicContact CE2-CD1 3.78Å; F31-I85 HydrophobicContact CG-CD1 3.29Å; F31-I85 HydrophobicContact CG-CG1 4.35Å; F31-I85 HydrophobicContact CZ-CD1 3.66Å |
| 32 | V | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 148.1 | 176.8 | 63.4 | 0 | 0 | 0 | 0 | 108.5 | L26 L34 C39 I41 M80 D81 | L26-V32 HydrophobicContact CD1-CB 4.23Å; L26-V32 HydrophobicContact CD1-CG2 3.85Å; L26-V32 HydrophobicContact CD2-CB 4.44Å; V32-L34 HydrophobicContact CG1-CD1 4.22Å; V32-L34 HydrophobicContact CG1-CD2 3.9Å; V32-L34 HydrophobicContact CG1-CG 3.88Å; V32-L34 HydrophobicContact CG2-CD2 4.3Å; V32-C39 PolarHBondContact N-O 2.81Å; V32-C39 WeakPolarHBondContact O-CA 3.45Å; V32-C39 WeakPolarHBondContact O-CB 3.33Å; V32-C39 PolarHBondContact O-N 2.79Å; V32-C39 VanDerWaalsContact O-O 3.13Å; V32-I41 HydrophobicContact CB-CD1 4.11Å; V32-I41 HydrophobicContact CB-CG1 4.25Å; V32-I41 HydrophobicContact CG1-CD1 3.83Å; V32-I41 HydrophobicContact CG1-CG1 3.48Å; V32-I41 VanDerWaalsContact CG1-CG1 3.48Å; V32-M80 HydrophobicContact CG2-CB 3.95Å; V32-M80 HydrophobicContact CG2-CE 4.21Å; V32-D81 WeakPolarHBondContact CG2-O 3.18Å |
| 33 | V | 95 | Very high | 93.5 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | T18 R37 D81 P83 M142 | T18-V33 HydrophobicContact CG2-CG2 3.77Å; V33-R37 WeakPolarHBondContact CA-O 3.18Å; V33-D81 HydrophobicContact CB-CB 3.96Å; V33-D81 HydrophobicContact CG2-CB 3.89Å; V33-D81 PolarHBondContact N-O 3.48Å; V33-P83 HydrophobicContact CG2-CB 4.16Å; V33-P83 HydrophobicContact CG2-CG 4.31Å; V33-M142 HydrophobicContact CG1-CE 4.49Å; V33-M142 HydrophobicContact CG1-SD 4.28Å; V33-M142 HydrophobicContact CG2-SD 3.8Å |
| 34 | L | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.6 | 174 | -57.6 | 176.2 | 0 | 0 | 0 | 108.4 | V32 G36 R37 C39 D72 M80 | V32-L34 HydrophobicContact CG1-CD1 4.22Å; V32-L34 HydrophobicContact CG1-CD2 3.9Å; V32-L34 HydrophobicContact CG1-CG 3.88Å; V32-L34 HydrophobicContact CG2-CD2 4.3Å; L34-G36 PolarHBondContact O-N 2.7Å; L34-G36 VanDerWaalsContact O-N 3.17Å; L34-R37 PolarHBondContact N-O 2.91Å; L34-R37 PolarHBondContact O-N 3.41Å; L34-C39 HydrophobicContact CB-CB 4.5Å; L34-C39 HydrophobicContact CD1-CB 4.04Å; L34-C39 HydrophobicContact CG-CB 4.2Å; L34-D72 HydrophobicContact CD2-CB 3.98Å; L34-M80 HydrophobicContact CD2-CE 4.2Å |
| 35 | K | 90.8 | Very high | 93.8 | Very high | 152 Ų | 152 | 56 Ų | 56 | 66% | 0.661 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 39 | -179.2 | -54.4 | -174 | -175.1 | 174.6 | 0 | 113.1 | R37 Y70 | K35-R37 VanDerWaalsContact C-N 3.29Å; K35-R37 PolarHBondContact O-N 3.16Å; K35-Y70 HydrophobicContact CB-CD1 4.48Å; K35-Y70 HydrophobicContact CD-CD1 4.06Å |
| 36 | G | 89.8 | Confident | 93.7 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 55% | 0.546 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 8.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L34 | L34-G36 PolarHBondContact O-N 2.7Å; L34-G36 VanDerWaalsContact O-N 3.17Å |
| 37 | R | 93.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 25% | 0.253 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.1 | 177.4 | -62.1 | -67.6 | -67.3 | 174 | 6.5 | 111.2 | V33 L34 K35 C39 D63 Y70 E144 | V33-R37 WeakPolarHBondContact CA-O 3.18Å; L34-R37 PolarHBondContact N-O 2.91Å; L34-R37 PolarHBondContact O-N 3.41Å; K35-R37 VanDerWaalsContact C-N 3.29Å; K35-R37 PolarHBondContact O-N 3.16Å; R37-C39 PolarHBondContact O-N 3.41Å; R37-C39 PolarHBondContact O-SG 2.95Å; R37-D63 IonicContact CZ-OD2 3.51Å; R37-D63 VanDerWaalsContact CZ-OD2 3.28Å; R37-D63 IonicContact NE-OD2 2.8Å; R37-D63 PolarHBondContact NE-OD2 3.27Å; R37-D63 IonicContact NH2-OD1 3.35Å; R37-D63 IonicContact NH2-OD2 3.62Å; R37-D63 PolarHBondContact NH2-OD2 2.83Å; R37-Y70 HydrophobicContact CB-CE2 4.24Å; R37-Y70 HydrophobicContact CG-CE2 4.24Å; R37-E144 IonicContact CZ-OE2 2.93Å; R37-E144 VanDerWaalsContact CZ-OE2 3.29Å; R37-E144 IonicContact NH1-OE1 2.68Å; R37-E144 IonicContact NH1-OE2 2.82Å; R37-E144 PolarHBondContact NH1-OE2 3.38Å; R37-E144 IonicContact NH2-OE1 3.34Å; R37-E144 PolarHBondContact NH2-OE1 3.47Å; R37-E144 IonicContact NH2-OE2 3.55Å; R37-E144 PolarHBondContact NH2-OE2 2.79Å; R37-E144 VanDerWaalsContact NH2-OE2 3.16Å |
| 38 | P | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 115.8 | 175.7 | 29.2 | -32.7 | 0 | 0 | 0 | 110 | I64 F65 P83 A141 M142 | P38-I64 HydrophobicContact CB-CD1 3.9Å; P38-I64 HydrophobicContact CB-CG1 4.38Å; P38-I64 HydrophobicContact CG-CD1 4.06Å; P38-I64 HydrophobicContact CG-CG1 4.18Å; P38-I64 PolarHBondContact O-N 2.9Å; P38-F65 HydrophobicContact CG-CD2 3.9Å; P38-F65 HydrophobicContact CG-CE2 3.66Å; P38-P83 HydrophobicContact CB-CB 3.93Å; P38-P83 HydrophobicContact CB-CG 3.86Å; P38-A141 HydrophobicContact CB-CB 4.13Å; P38-A141 HydrophobicContact CG-CB 4.2Å; P38-M142 HydrophobicContact CB-SD 4.33Å |
| 39 | C | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142.7 | -174.4 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | F31 V32 L34 R37 I62 | F31-C39 VanDerWaalsContact CA-O 3.3Å; F31-C39 WeakPolarHBondContact CA-O 3.37Å; V32-C39 PolarHBondContact N-O 2.81Å; V32-C39 WeakPolarHBondContact O-CA 3.45Å; V32-C39 WeakPolarHBondContact O-CB 3.33Å; V32-C39 PolarHBondContact O-N 2.79Å; V32-C39 VanDerWaalsContact O-O 3.13Å; L34-C39 HydrophobicContact CB-CB 4.5Å; L34-C39 HydrophobicContact CD1-CB 4.04Å; L34-C39 HydrophobicContact CG-CB 4.2Å; R37-C39 PolarHBondContact O-N 3.41Å; R37-C39 PolarHBondContact O-SG 2.95Å; C39-I62 CarbonylContact C-O 3.53Å; C39-I62 VanDerWaalsContact CA-O 3.3Å; C39-I62 WeakPolarHBondContact CA-O 3.43Å |
| 40 | K | 95.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.5 | 165.8 | -176.3 | 178.3 | 179.6 | -179.7 | 0 | 109.6 | N29 F31 V42 G61 I62 I64 | N29-K40 WeakPolarHBondContact OD1-CE 3.4Å; F31-K40 HydrophobicContact CD1-CB 4.04Å; F31-K40 HydrophobicContact CD1-CG 4.42Å; F31-K40 HydrophobicContact CE1-CB 3.92Å; F31-K40 HydrophobicContact CE1-CD 4.46Å; F31-K40 HydrophobicContact CE1-CG 4.11Å; K40-V42 PolarHBondContact O-N 2.89Å; K40-G61 CarbonylContact O-C 3.52Å; K40-G61 WeakPolarHBondContact O-CA 3.31Å; K40-I62 PolarHBondContact N-O 3.35Å; K40-I62 PolarHBondContact O-N 2.69Å; K40-I64 HydrophobicContact CB-CG2 4.02Å |
| 41 | I | 95.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 112.7 | 179.9 | -57.5 | 169.3 | 0 | 0 | 0 | 109.4 | L26 R27 N29 G30 V32 E43 M44 L59 | L26-I41 HydrophobicContact CB-CD1 3.94Å; L26-I41 HydrophobicContact CD1-CD1 4.35Å; L26-I41 HydrophobicContact CD2-CD1 4.31Å; L26-I41 HydrophobicContact CG-CD1 4.43Å; R27-I41 WeakPolarHBondContact O-CD1 3.31Å; N29-I41 WeakPolarHBondContact CA-O 3.14Å; N29-I41 PolarHBondContact N-O 2.86Å; G30-I41 PolarHBondContact O-N 3.23Å; V32-I41 HydrophobicContact CB-CD1 4.11Å; V32-I41 HydrophobicContact CB-CG1 4.25Å; V32-I41 HydrophobicContact CG1-CD1 3.83Å; V32-I41 HydrophobicContact CG1-CG1 3.48Å; V32-I41 VanDerWaalsContact CG1-CG1 3.48Å; I41-E43 WeakPolarHBondContact CG2-O 3.43Å; I41-M44 HydrophobicContact CG2-CB 4.27Å; I41-L59 HydrophobicContact CD1-CD2 4.32Å; I41-L59 HydrophobicContact CG2-CD2 4.21Å |
| 42 | V | 96.5 | Very high | 90 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -28.8 | 176.3 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | K28 K40 V60 I62 | K28-V42 WeakPolarHBondContact CE-O 3.22Å; K40-V42 PolarHBondContact O-N 2.89Å; V42-V60 HydrophobicContact CG2-CB 4.22Å; V42-V60 HydrophobicContact CG2-CG1 3.8Å; V42-V60 VanDerWaalsContact CG2-O 3.3Å; V42-V60 WeakPolarHBondContact CG2-O 3.33Å; V42-V60 PolarHBondContact N-O 3Å; V42-I62 HydrophobicContact CG1-CB 4.35Å; V42-I62 HydrophobicContact CG1-CD1 3.7Å; V42-I62 HydrophobicContact CG1-CG1 3.78Å; V42-I62 HydrophobicContact CG2-CD1 4.32Å; V42-I62 HydrophobicContact CG2-CG1 4.01Å |
| 43 | E | 94.3 | Very high | 89 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.9 | 177.1 | -155 | -175.6 | 119.1 | 0 | 0 | 110.6 | I41 V60 | I41-E43 WeakPolarHBondContact CG2-O 3.43Å; E43-V60 HydrophobicContact CB-CB 3.75Å; E43-V60 HydrophobicContact CB-CG2 3.98Å; E43-V60 PolarHBondContact N-O 3.35Å; E43-V60 VanDerWaalsContact N-O 3.12Å; E43-V60 PolarHBondContact O-N 3.39Å |
| 44 | M | 93.2 | Very high | 88.2 | Confident | 54 Ų | 54 | 77 Ų | 77 | 27% | 0.266 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 120.2 | 174.9 | -178.5 | -175 | -172.3 | 0 | 0 | 107.8 | C23 L26 I41 V57 H58 L59 | C23-M44 VanDerWaalsContact O-CE 3.31Å; C23-M44 WeakPolarHBondContact O-CE 3.49Å; L26-M44 HydrophobicContact CB-CE 4.24Å; L26-M44 WeakPolarHBondContact O-CE 3.4Å; L26-M44 VanDerWaalsContact O-SD 3.32Å; I41-M44 HydrophobicContact CG2-CB 4.27Å; M44-V57 HydrophobicContact CE-CG1 3.53Å; M44-V57 HydrophobicContact CE-CG2 4.39Å; M44-V57 HydrophobicContact CG-CG1 3.64Å; M44-V57 HydrophobicContact SD-CG1 4.44Å; M44-H58 WeakPolarHBondContact CA-O 3.48Å; M44-L59 HydrophobicContact CB-CD2 4.11Å; M44-L59 HydrophobicContact CG-CD2 3.75Å; M44-L59 HydrophobicContact SD-CD2 4.31Å |
| 45 | S | 91.8 | Very high | 88 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | V57 H58 | S45-V57 CarbonylContact O-C 3.51Å; S45-V57 VanDerWaalsContact O-CA 3.31Å; S45-V57 WeakPolarHBondContact O-CA 3.22Å; S45-H58 PolarHBondContact N-O 3.17Å; S45-H58 PolarHBondContact O-N 2.99Å |
| 46 | T | 89.9 | Confident | 88 | Confident | 91 Ų | 91 | 75.6 Ų | 75.6 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.8 | 179.9 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | A55 V57 | T46-A55 HydrophobicContact CG2-CB 3.78Å; T46-V57 HydrophobicContact CG2-CG2 4.48Å |
| 47 | S | 88.4 | Confident | 88.1 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.6 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | A55 K56 | S47-A55 CarbonylContact O-C 3.55Å; S47-A55 WeakPolarHBondContact O-CA 3.47Å; S47-K56 PolarHBondContact N-O 3.49Å; S47-K56 PolarHBondContact O-N 2.83Å; S47-K56 PolarHBondContact OG-O 2.94Å; S47-K56 VanDerWaalsContact OG-O 3.05Å |
| 48 | K | 82.6 | Confident | 88.2 | Confident | 194 Ų | 194 | 72.2 Ų | 72.2 | 84% | 0.843 | 39% | 0.389 | S | S | * | . | trans | -85.5 | 124 | 172.3 | -67 | -176.8 | -179.1 | 179.1 | 0 | 108.4 | ||||
| 49 | T | 76.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 72 Ų | 72 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | trans | -90 | 105.9 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | G53 H54 K56 | T49-G53 WeakPolarHBondContact O-CA 3.25Å; T49-G53 PolarHBondContact O-N 2.74Å; T49-G53 WeakPolarHBondContact OG1-CA 3.31Å; T49-H54 PolarHBondContact OG1-N 3.03Å; T49-H54 PolarHBondContact OG1-O 3.02Å; T49-K56 HydrophobicContact CG2-CB 4.45Å; T49-K56 HydrophobicContact CG2-CD 3.61Å; T49-K56 HydrophobicContact CG2-CG 3.77Å | ||
| 50 | G | 80.6 | Confident | 88.2 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 75% | 0.753 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -163.5 | 171 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 51 | K | 75 | Confident | 88.2 | Confident | 197 Ų | 197 | 68 Ų | 68 | 86% | 0.857 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.9 | -173.3 | -161.2 | 178.1 | -177.6 | -177.1 | 0 | 114.2 | ||
| 52 | H | 80.1 | Confident | 88.2 | Confident | 171 Ų | 171 | 71.2 Ų | 71.2 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.8 | 3.4 | -174.4 | -63.4 | -70.3 | 0 | 0 | 0 | 114.2 | ||
| 53 | G | 74.1 | Confident | 88.1 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 152.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | T49 | T49-G53 WeakPolarHBondContact O-CA 3.25Å; T49-G53 PolarHBondContact O-N 2.74Å; T49-G53 WeakPolarHBondContact OG1-CA 3.31Å |
| 54 | H | 79.9 | Confident | 88 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -66 | 142.3 | 175.5 | -62.1 | -79.7 | 0 | 0 | 0 | 111 | T49 K56 | T49-H54 PolarHBondContact OG1-N 3.03Å; T49-H54 PolarHBondContact OG1-O 3.02Å; H54-K56 PolarHBondContact O-N 2.82Å |
| 55 | A | 87.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 65 Ų | 65 | 22% | 0.223 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 135.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | T46 S47 S76 | T46-A55 HydrophobicContact CG2-CB 3.78Å; S47-A55 CarbonylContact O-C 3.55Å; S47-A55 WeakPolarHBondContact O-CA 3.47Å; A55-S76 WeakPolarHBondContact O-CB 3.4Å; A55-S76 PolarHBondContact O-N 3.2Å; A55-S76 PolarHBondContact O-OG 3.01Å |
| 56 | K | 90.8 | Very high | 87.7 | Confident | 95 Ų | 95 | 65 Ų | 65 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.4 | 173.1 | -70.1 | -178.3 | 177.6 | -178.4 | 0 | 108.4 | S47 T49 H54 I73 | S47-K56 PolarHBondContact N-O 3.49Å; S47-K56 PolarHBondContact O-N 2.83Å; S47-K56 PolarHBondContact OG-O 2.94Å; S47-K56 VanDerWaalsContact OG-O 3.05Å; T49-K56 HydrophobicContact CG2-CB 4.45Å; T49-K56 HydrophobicContact CG2-CD 3.61Å; T49-K56 HydrophobicContact CG2-CG 3.77Å; H54-K56 PolarHBondContact O-N 2.82Å; K56-I73 HydrophobicContact CB-CG2 4.07Å; K56-I73 HydrophobicContact CD-CG2 4.32Å |
| 57 | V | 93.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.3 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | C23 M44 S45 T46 L59 I73 C74 | C23-V57 VanDerWaalsContact SG-CB 3.52Å; M44-V57 HydrophobicContact CE-CG1 3.53Å; M44-V57 HydrophobicContact CE-CG2 4.39Å; M44-V57 HydrophobicContact CG-CG1 3.64Å; M44-V57 HydrophobicContact SD-CG1 4.44Å; S45-V57 CarbonylContact O-C 3.51Å; S45-V57 VanDerWaalsContact O-CA 3.31Å; S45-V57 WeakPolarHBondContact O-CA 3.22Å; T46-V57 HydrophobicContact CG2-CG2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 4.06Å; V57-L59 HydrophobicContact CG1-CG 4Å; V57-I73 CarbonylContact O-C 3.58Å; V57-I73 VanDerWaalsContact O-CA 3.32Å; V57-I73 WeakPolarHBondContact O-CA 3.42Å; V57-C74 PolarHBondContact N-O 2.74Å; V57-C74 PolarHBondContact O-N 2.95Å |
| 58 | H | 94.3 | Very high | 87.9 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 22% | 0.222 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120 | 166.4 | 175.7 | -119.7 | 0 | 0 | 0 | 108.1 | M44 S45 V60 I73 | M44-H58 WeakPolarHBondContact CA-O 3.48Å; S45-H58 PolarHBondContact N-O 3.17Å; S45-H58 PolarHBondContact O-N 2.99Å; H58-V60 VanDerWaalsContact CE1-CG2 3.46Å; H58-V60 WeakPolarHBondContact CE1-CG2 3.23Å; H58-I73 HydrophobicContact CB-CG1 4.21Å |
| 59 | L | 94.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.8 | 179.8 | -70.6 | 166.1 | 0 | 0 | 0 | 108.9 | L26 I41 M44 V57 E71 D72 C74 M80 | L26-L59 HydrophobicContact CD1-CD1 3.72Å; L26-L59 HydrophobicContact CD1-CD2 4.35Å; I41-L59 HydrophobicContact CD1-CD2 4.32Å; I41-L59 HydrophobicContact CG2-CD2 4.21Å; M44-L59 HydrophobicContact CB-CD2 4.11Å; M44-L59 HydrophobicContact CG-CD2 3.75Å; M44-L59 HydrophobicContact SD-CD2 4.31Å; V57-L59 HydrophobicContact CG1-CD2 4.06Å; V57-L59 HydrophobicContact CG1-CG 4Å; L59-E71 VanDerWaalsContact O-CA 3.27Å; L59-E71 WeakPolarHBondContact O-CA 3.15Å; L59-D72 PolarHBondContact N-O 3.38Å; L59-D72 PolarHBondContact O-N 3.05Å; L59-C74 VanDerWaalsContact CD1-SG 3.58Å; L59-M80 HydrophobicContact CD1-CE 4.47Å |
| 60 | V | 96.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119.8 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | V42 E43 H58 K69 E71 | V42-V60 HydrophobicContact CG2-CB 4.22Å; V42-V60 HydrophobicContact CG2-CG1 3.8Å; V42-V60 VanDerWaalsContact CG2-O 3.3Å; V42-V60 WeakPolarHBondContact CG2-O 3.33Å; V42-V60 PolarHBondContact N-O 3Å; E43-V60 HydrophobicContact CB-CB 3.75Å; E43-V60 HydrophobicContact CB-CG2 3.98Å; E43-V60 PolarHBondContact N-O 3.35Å; E43-V60 VanDerWaalsContact N-O 3.12Å; E43-V60 PolarHBondContact O-N 3.39Å; H58-V60 VanDerWaalsContact CE1-CG2 3.46Å; H58-V60 WeakPolarHBondContact CE1-CG2 3.23Å; V60-K69 HydrophobicContact CG1-CD 4.13Å; V60-K69 HydrophobicContact CG1-CG 3.97Å; V60-E71 HydrophobicContact CG2-CB 4.45Å |
| 61 | G | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 156.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K40 K69 Y70 | K40-G61 CarbonylContact O-C 3.52Å; K40-G61 WeakPolarHBondContact O-CA 3.31Å; G61-K69 WeakPolarHBondContact O-CA 3.06Å; G61-Y70 PolarHBondContact N-O 3.49Å; G61-Y70 PolarHBondContact O-N 3.31Å; G61-Y70 VanDerWaalsContact O-O 3.05Å |
| 62 | I | 95.9 | Very high | 91 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.1 | 167.3 | -61.3 | -178.6 | 0 | 0 | 0 | 107 | C39 K40 V42 I64 G67 | C39-I62 CarbonylContact C-O 3.53Å; C39-I62 VanDerWaalsContact CA-O 3.3Å; C39-I62 WeakPolarHBondContact CA-O 3.43Å; K40-I62 PolarHBondContact N-O 3.35Å; K40-I62 PolarHBondContact O-N 2.69Å; V42-I62 HydrophobicContact CG1-CB 4.35Å; V42-I62 HydrophobicContact CG1-CD1 3.7Å; V42-I62 HydrophobicContact CG1-CG1 3.78Å; V42-I62 HydrophobicContact CG2-CD1 4.32Å; V42-I62 HydrophobicContact CG2-CG1 4.01Å; I62-I64 PolarHBondContact O-N 2.89Å; I62-G67 WeakPolarHBondContact CG2-O 3.44Å |
| 63 | D | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 127 | 173.8 | 176.3 | -9.5 | 0 | 0 | 0 | 109.7 | R37 F65 S66 G67 K68 Y70 | R37-D63 IonicContact CZ-OD2 3.51Å; R37-D63 VanDerWaalsContact CZ-OD2 3.28Å; R37-D63 IonicContact NE-OD2 2.8Å; R37-D63 PolarHBondContact NE-OD2 3.27Å; R37-D63 IonicContact NH2-OD1 3.35Å; R37-D63 IonicContact NH2-OD2 3.62Å; R37-D63 PolarHBondContact NH2-OD2 2.83Å; D63-F65 PolarHBondContact O-N 2.87Å; D63-F65 PolarHBondContact OD1-N 2.97Å; D63-S66 WeakPolarHBondContact CB-OG 3.37Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.4Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; D63-G67 WeakPolarHBondContact O-CA 3.18Å; D63-G67 PolarHBondContact O-N 3.47Å; D63-K68 PolarHBondContact N-O 2.96Å; D63-Y70 HydrophobicContact CB-CD2 3.99Å; D63-Y70 HydrophobicContact CB-CE2 3.68Å |
| 64 | I | 91.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -18.2 | -173.5 | 66.4 | -172.3 | 0 | 0 | 0 | 113 | F31 P38 K40 I62 I85 L139 A141 | F31-I64 HydrophobicContact CD1-CG2 4.22Å; F31-I64 HydrophobicContact CE1-CG2 4.04Å; P38-I64 HydrophobicContact CB-CD1 3.9Å; P38-I64 HydrophobicContact CB-CG1 4.38Å; P38-I64 HydrophobicContact CG-CD1 4.06Å; P38-I64 HydrophobicContact CG-CG1 4.18Å; P38-I64 PolarHBondContact O-N 2.9Å; K40-I64 HydrophobicContact CB-CG2 4.02Å; I62-I64 PolarHBondContact O-N 2.89Å; I64-I85 HydrophobicContact CD1-CD1 3.9Å; I64-L139 HydrophobicContact CD1-CD2 3.42Å; I64-L139 VanDerWaalsContact CD1-CD2 3.42Å; I64-L139 HydrophobicContact CG1-CD2 4.2Å; I64-A141 HydrophobicContact CD1-CB 3.85Å |
| 65 | F | 90.5 | Very high | 93 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 17% | 0.167 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -50.5 | 178.9 | -60 | -63.8 | 0 | 0 | 0 | 112 | P38 D63 L139 A141 E144 A146 | P38-F65 HydrophobicContact CG-CD2 3.9Å; P38-F65 HydrophobicContact CG-CE2 3.66Å; D63-F65 PolarHBondContact O-N 2.87Å; D63-F65 PolarHBondContact OD1-N 2.97Å; F65-L139 HydrophobicContact CE1-CD2 3.84Å; F65-L139 HydrophobicContact CZ-CD2 3.66Å; F65-A141 HydrophobicContact CE2-CB 4.03Å; F65-A141 HydrophobicContact CZ-CB 4.02Å; F65-E144 WeakPolarHBondContact CB-OE1 3.43Å; F65-E144 HydrophobicContact CD1-CG 4.27Å; F65-E144 HydrophobicContact CD2-CB 4.06Å; F65-E144 VanDerWaalsContact CD2-CD 3.41Å; F65-E144 HydrophobicContact CD2-CG 3.75Å; F65-E144 HydrophobicContact CE1-CG 4.33Å; F65-E144 HydrophobicContact CE2-CB 3.64Å; F65-E144 HydrophobicContact CE2-CG 3.8Å; F65-E144 HydrophobicContact CG-CG 3.99Å; F65-E144 WeakPolarHBondContact CG-OE1 3.42Å; F65-E144 HydrophobicContact CZ-CB 3.99Å; F65-E144 HydrophobicContact CZ-CG 4.1Å; F65-E144 VanDerWaalsContact CZ-O 3.22Å; F65-E144 WeakPolarHBondContact CZ-O 3.46Å; F65-A146 HydrophobicContact CD1-CB 3.56Å; F65-A146 HydrophobicContact CE1-CB 3.79Å |
| 66 | S | 88.7 | Confident | 93.1 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.1 | -174.5 | 74.1 | 0 | 0 | 0 | 0 | 114.5 | D63 K68 | D63-S66 WeakPolarHBondContact CB-OG 3.37Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.4Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; S66-K68 PolarHBondContact O-N 2.74Å; S66-K68 WeakPolarHBondContact OG-CB 3.31Å; S66-K68 PolarHBondContact OG-N 2.78Å |
| 67 | G | 89.1 | Confident | 93 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | trans | 66.4 | 3.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I62 D63 | I62-G67 WeakPolarHBondContact CG2-O 3.44Å; D63-G67 WeakPolarHBondContact O-CA 3.18Å; D63-G67 PolarHBondContact O-N 3.47Å | ||
| 68 | K | 93.7 | Very high | 93 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | trans | -73 | 139 | 179.1 | -68.9 | 178.9 | -179.1 | 173.2 | 0 | 110.6 | D63 S66 Y70 | D63-K68 PolarHBondContact N-O 2.96Å; S66-K68 PolarHBondContact O-N 2.74Å; S66-K68 WeakPolarHBondContact OG-CB 3.31Å; S66-K68 PolarHBondContact OG-N 2.78Å; K68-Y70 HydrophobicContact CB-CE2 3.83Å; K68-Y70 WeakPolarHBondContact O-CD2 3.2Å | ||
| 69 | K | 95.9 | Very high | 92.9 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 131.8 | 176.2 | -171.2 | -174.8 | 179.7 | -169.7 | 0 | 110.2 | V60 G61 | V60-K69 HydrophobicContact CG1-CD 4.13Å; V60-K69 HydrophobicContact CG1-CG 3.97Å; G61-K69 WeakPolarHBondContact O-CA 3.06Å |
| 70 | Y | 96.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 58 Ų | 58 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.6 | 173.5 | -66.8 | -80 | 0 | 0 | 0 | 110 | K35 R37 G61 D63 K68 | K35-Y70 HydrophobicContact CB-CD1 4.48Å; K35-Y70 HydrophobicContact CD-CD1 4.06Å; R37-Y70 HydrophobicContact CB-CE2 4.24Å; R37-Y70 HydrophobicContact CG-CE2 4.24Å; G61-Y70 PolarHBondContact N-O 3.49Å; G61-Y70 PolarHBondContact O-N 3.31Å; G61-Y70 VanDerWaalsContact O-O 3.05Å; D63-Y70 HydrophobicContact CB-CD2 3.99Å; D63-Y70 HydrophobicContact CB-CE2 3.68Å; K68-Y70 HydrophobicContact CB-CE2 3.83Å; K68-Y70 WeakPolarHBondContact O-CD2 3.2Å |
| 71 | E | 94.6 | Very high | 92.7 | Very high | 106 Ų | 106 | 61.8 Ų | 61.8 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.6 | 177.8 | 61.4 | -171.5 | -148.7 | 0 | 0 | 110.4 | L59 V60 | L59-E71 VanDerWaalsContact O-CA 3.27Å; L59-E71 WeakPolarHBondContact O-CA 3.15Å; V60-E71 HydrophobicContact CG2-CB 4.45Å |
| 72 | D | 93.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 62.3 Ų | 62.3 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 157.4 | 178.1 | -162.1 | 11.9 | 0 | 0 | 0 | 111.6 | L34 L59 | L34-D72 HydrophobicContact CD2-CB 3.98Å; L59-D72 PolarHBondContact N-O 3.38Å; L59-D72 PolarHBondContact O-N 3.05Å |
| 73 | I | 92.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 59.4 Ų | 59.4 | 52% | 0.518 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 106.4 | 176.8 | -59.2 | 175.3 | 0 | 0 | 0 | 109.3 | K56 V57 H58 | K56-I73 HydrophobicContact CB-CG2 4.07Å; K56-I73 HydrophobicContact CD-CG2 4.32Å; V57-I73 CarbonylContact O-C 3.58Å; V57-I73 VanDerWaalsContact O-CA 3.32Å; V57-I73 WeakPolarHBondContact O-CA 3.42Å; H58-I73 HydrophobicContact CB-CG1 4.21Å |
| 74 | C | 90 | Very high | 92.3 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 139.2 | 174.2 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | C23 V57 L59 S76 M80 | C23-C74 HydrophobicContact CB-CB 4.16Å; C23-C74 WeakPolarHBondContact CB-SG 3.29Å; C23-C74 WeakPolarHBondContact SG-CB 3.46Å; C23-C74 CovalentContact SG-SG 2.08Å; C23-C74 PolarHBondContact SG-SG 3.16Å; V57-C74 PolarHBondContact N-O 2.74Å; V57-C74 PolarHBondContact O-N 2.95Å; L59-C74 VanDerWaalsContact CD1-SG 3.58Å; C74-S76 PolarHBondContact O-N 2.93Å; C74-M80 HydrophobicContact CB-CG 4.42Å; C74-M80 HydrophobicContact CB-SD 3.76Å |
| 75 | P | 92.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 25% | 0.247 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 138.3 | 160.1 | -27.9 | 34.7 | 0 | 0 | 0 | 111 | T77 H78 | P75-T77 PolarHBondContact O-N 2.99Å; P75-H78 WeakPolarHBondContact CB-ND1 3.42Å; P75-H78 WeakPolarHBondContact CD-ND1 3.46Å; P75-H78 VanDerWaalsContact CG-CE1 3.47Å; P75-H78 WeakPolarHBondContact CG-CE1 3.4Å; P75-H78 WeakPolarHBondContact CG-ND1 3.45Å; P75-H78 PolarHBondContact O-N 2.87Å |
| 76 | S | 89.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.4 | -171.7 | 65.2 | 0 | 0 | 0 | 0 | 113.6 | Q22 S24 A55 C74 | Q22-S76 WeakPolarHBondContact CG-O 3.45Å; S24-S76 WeakPolarHBondContact CB-O 3.42Å; S24-S76 PolarHBondContact N-O 3.38Å; S24-S76 PolarHBondContact OG-O 3.4Å; A55-S76 WeakPolarHBondContact O-CB 3.4Å; A55-S76 PolarHBondContact O-N 3.2Å; A55-S76 PolarHBondContact O-OG 3.01Å; C74-S76 PolarHBondContact O-N 2.93Å |
| 77 | T | 89.9 | Confident | 92.3 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.2 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | P75 | P75-T77 PolarHBondContact O-N 2.99Š|
| 78 | H | 91.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.1 | 147.6 | 177.2 | -75.2 | 137.4 | 0 | 0 | 0 | 111.3 | C23 P75 | C23-H78 VanDerWaalsContact CB-O 3.28Å; C23-H78 WeakPolarHBondContact CB-O 3.47Å; C23-H78 PolarHBondContact N-O 3.38Å; P75-H78 WeakPolarHBondContact CB-ND1 3.42Å; P75-H78 WeakPolarHBondContact CD-ND1 3.46Å; P75-H78 VanDerWaalsContact CG-CE1 3.47Å; P75-H78 WeakPolarHBondContact CG-CE1 3.4Å; P75-H78 WeakPolarHBondContact CG-ND1 3.45Å; P75-H78 PolarHBondContact O-N 2.87Å |
| 79 | N | 92.2 | Very high | 92.4 | Very high | 111 Ų | 111 | 68.1 Ų | 68.1 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.4 | 168.4 | -69.4 | -26 | 0 | 0 | 0 | 109.4 | P20 M21 | P20-N79 HydrophobicContact CB-CB 4.24Å; M21-N79 CarbonylContact O-C 3.6Å; M21-N79 WeakPolarHBondContact O-CA 3.43Å |
| 80 | M | 92.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 62 Ų | 62 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 147.4 | 172.6 | -63.5 | -66.9 | -72.7 | 0 | 0 | 108.1 | M21 C23 L26 V32 L34 L59 C74 | M21-M80 PolarHBondContact N-O 2.98Å; M21-M80 PolarHBondContact O-N 3.24Å; C23-M80 HydrophobicContact CB-CG 3.92Å; L26-M80 HydrophobicContact CD1-CB 4.25Å; L26-M80 HydrophobicContact CD1-CG 4.31Å; V32-M80 HydrophobicContact CG2-CB 3.95Å; V32-M80 HydrophobicContact CG2-CE 4.21Å; L34-M80 HydrophobicContact CD2-CE 4.2Å; L59-M80 HydrophobicContact CD1-CE 4.47Å; C74-M80 HydrophobicContact CB-CG 4.42Å; C74-M80 HydrophobicContact CB-SD 3.76Å |
| 81 | D | 94.2 | Very high | 92.1 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.6 | 173.6 | -70.3 | -57.9 | 0 | 0 | 0 | 110.4 | T18 V32 V33 | T18-D81 HydrophobicContact CG2-CB 4.19Å; T18-D81 PolarHBondContact OG1-OD1 2.97Å; V32-D81 WeakPolarHBondContact CG2-O 3.18Å; V33-D81 HydrophobicContact CB-CB 3.96Å; V33-D81 HydrophobicContact CG2-CB 3.89Å; V33-D81 PolarHBondContact N-O 3.48Å |
| 82 | V | 94.1 | Very high | 92 | Very high | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.5 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | T18 F19 M21 L26 F31 | T18-V82 CarbonylContact C-O 3.5Å; T18-V82 WeakPolarHBondContact CA-O 3.42Å; T18-V82 WeakPolarHBondContact CB-O 3.39Å; F19-V82 HydrophobicContact CD1-CB 4.25Å; F19-V82 HydrophobicContact CD1-CG1 4.43Å; F19-V82 WeakPolarHBondContact CD1-O 3.23Å; F19-V82 HydrophobicContact CD2-CB 4.21Å; F19-V82 HydrophobicContact CE1-CB 3.83Å; F19-V82 HydrophobicContact CE1-CG1 3.56Å; F19-V82 HydrophobicContact CE2-CB 3.79Å; F19-V82 HydrophobicContact CE2-CG1 3.98Å; F19-V82 HydrophobicContact CE2-CG2 4.28Å; F19-V82 HydrophobicContact CG-CB 4.44Å; F19-V82 HydrophobicContact CZ-CB 3.59Å; F19-V82 HydrophobicContact CZ-CG1 3.3Å; F19-V82 HydrophobicContact CZ-CG2 4.42Å; F19-V82 PolarHBondContact N-O 3.35Å; F19-V82 PolarHBondContact O-N 2.94Å; M21-V82 HydrophobicContact CB-CG2 3.57Å; M21-V82 HydrophobicContact CG-CG2 4.46Å; M21-V82 HydrophobicContact SD-CG2 4.26Å; L26-V82 HydrophobicContact CD2-CG2 3.76Å; F31-V82 WeakPolarHBondContact O-CG1 3.5Å |
| 83 | P | 94 | Very high | 92 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 141.6 | 180 | 30.9 | -33.6 | 0 | 0 | 0 | 110.3 | F31 V33 P38 I85 M142 | F31-P83 HydrophobicContact CB-CG 3.92Å; V33-P83 HydrophobicContact CG2-CB 4.16Å; V33-P83 HydrophobicContact CG2-CG 4.31Å; P38-P83 HydrophobicContact CB-CB 3.93Å; P38-P83 HydrophobicContact CB-CG 3.86Å; P83-I85 HydrophobicContact CB-CG1 4.47Å; P83-I85 HydrophobicContact CG-CD1 4.38Å; P83-I85 HydrophobicContact CG-CG1 4.27Å; P83-I85 PolarHBondContact O-N 3.49Å; P83-M142 HydrophobicContact CB-CG 4.01Å; P83-M142 HydrophobicContact CB-SD 4.38Å |
| 84 | N | 91.3 | Very high | 92 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | trans | -75 | 117.1 | 165.5 | -77.1 | -48 | 0 | 0 | 0 | 108.6 | S16 A17 F19 | S16-N84 PolarHBondContact O-ND2 2.77Å; A17-N84 PolarHBondContact O-N 3.33Å; F19-N84 VanDerWaalsContact CD1-OD1 3.29Å; F19-N84 WeakPolarHBondContact CD1-OD1 3.39Å; F19-N84 WeakPolarHBondContact CE1-OD1 3.47Å | ||
| 85 | I | 90.3 | Very high | 92.1 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119 | 179.9 | -59.8 | -167.9 | 0 | 0 | 0 | 109 | F31 I64 P83 L139 N140 A141 | F31-I85 HydrophobicContact CB-CD1 3.98Å; F31-I85 HydrophobicContact CD1-CD1 3.18Å; F31-I85 HydrophobicContact CD2-CD1 3.6Å; F31-I85 HydrophobicContact CD2-CG1 4.45Å; F31-I85 HydrophobicContact CE1-CD1 3.36Å; F31-I85 HydrophobicContact CE2-CD1 3.78Å; F31-I85 HydrophobicContact CG-CD1 3.29Å; F31-I85 HydrophobicContact CG-CG1 4.35Å; F31-I85 HydrophobicContact CZ-CD1 3.66Å; I64-I85 HydrophobicContact CD1-CD1 3.9Å; P83-I85 HydrophobicContact CB-CG1 4.47Å; P83-I85 HydrophobicContact CG-CD1 4.38Å; P83-I85 HydrophobicContact CG-CG1 4.27Å; P83-I85 PolarHBondContact O-N 3.49Å; I85-L139 HydrophobicContact CG2-CD1 3.77Å; I85-L139 HydrophobicContact CG2-CD2 3.93Å; I85-L139 HydrophobicContact CG2-CG 3.7Å; I85-N140 WeakPolarHBondContact CA-O 3.4Å; I85-A141 HydrophobicContact CG1-CB 4.08Å |
| 86 | K | 89.9 | Confident | 91.9 | Very high | 107 Ų | 107 | 59.6 Ų | 59.6 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.3 | 171.6 | -62.1 | 175.6 | -175.6 | 171.6 | 0 | 108.3 | L139 N140 | K86-L139 WeakPolarHBondContact O-CA 3.46Å; K86-N140 HydrophobicContact CB-CB 4.24Å; K86-N140 PolarHBondContact N-O 3.36Å; K86-N140 PolarHBondContact O-N 2.91Å |
| 87 | R | 91 | Very high | 91.8 | Very high | 150 Ų | 150 | 66.6 Ų | 66.6 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.3 | 177.7 | -166.3 | 175.4 | -157 | -160 | -10 | 107.9 | T137 V138 | R87-T137 HydrophobicContact CG-CG2 3.31Å; R87-V138 WeakPolarHBondContact CA-O 3.3Å |
| 88 | M | 90.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 38% | 0.384 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.2 | -178.2 | -69.3 | -178 | -74.8 | 0 | 0 | 108.6 | Y90 V138 | M88-Y90 HydrophobicContact CB-CD2 4.3Å; M88-Y90 HydrophobicContact CB-CE2 3.43Å; M88-Y90 VanDerWaalsContact CB-CE2 3.43Å; M88-Y90 WeakPolarHBondContact CE-OH 3.48Å; M88-V138 PolarHBondContact N-O 2.86Å; M88-V138 PolarHBondContact O-N 2.78Å |
| 89 | D | 92.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 64.5 Ų | 64.5 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.9 | 175.8 | -64.7 | -35.9 | 0 | 0 | 0 | 108 | L135 I136 T137 K151 | D89-L135 HydrophobicContact CB-CB 4.46Å; D89-I136 WeakPolarHBondContact CA-O 3.42Å; D89-T137 WeakPolarHBondContact OD1-CA 3.38Å; D89-T137 VanDerWaalsContact OD1-CB 3.23Å; D89-T137 WeakPolarHBondContact OD1-CB 3.33Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.23Å; D89-T137 PolarHBondContact OD1-OG1 3.13Å; D89-K151 IonicContact OD1-NZ 3.97Å; D89-K151 PolarHBondContact OD1-NZ 2.88Å; D89-K151 IonicContact OD2-NZ 3.5Å; D89-K151 PolarHBondContact OD2-NZ 3.45Å |
| 90 | Y | 93.1 | Very high | 91.6 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143 | -179.7 | -59.4 | -103.2 | 0 | 0 | 0 | 109.4 | M88 L92 L102 Q104 R110 L135 I136 V138 | M88-Y90 HydrophobicContact CB-CD2 4.3Å; M88-Y90 HydrophobicContact CB-CE2 3.43Å; M88-Y90 VanDerWaalsContact CB-CE2 3.43Å; M88-Y90 WeakPolarHBondContact CE-OH 3.48Å; Y90-L92 PolarHBondContact O-N 3.38Å; Y90-L102 HydrophobicContact CD1-CB 4.28Å; Y90-L102 HydrophobicContact CG-CB 4.21Å; Y90-L102 HydrophobicContact CG-CD1 4.34Å; Y90-Q104 HydrophobicContact CD1-CB 4.46Å; Y90-Q104 HydrophobicContact CD1-CG 3.42Å; Y90-Q104 VanDerWaalsContact CD1-CG 3.42Å; Y90-Q104 HydrophobicContact CE1-CG 3.26Å; Y90-R110 PolarHBondContact OH-NH1 3.25Å; Y90-L135 CarbonylContact O-C 3.57Å; Y90-L135 WeakPolarHBondContact O-CA 3.47Å; Y90-I136 PolarHBondContact N-O 2.81Å; Y90-I136 PolarHBondContact O-N 3.03Å; Y90-V138 HydrophobicContact CD2-CB 4.09Å; Y90-V138 HydrophobicContact CD2-CG2 3.61Å; Y90-V138 HydrophobicContact CE2-CB 3.74Å; Y90-V138 HydrophobicContact CE2-CG2 3.7Å |
| 91 | Q | 93.4 | Very high | 91.7 | Very high | 59 Ų | 59 | 58.2 Ų | 58.2 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.1 | 174.2 | -179.6 | 174.1 | -0.8 | 0 | 0 | 110.1 | I93 L102 L103 L135 | Q91-I93 HydrophobicContact CG-CG2 4.44Å; Q91-I93 PolarHBondContact O-N 2.9Å; Q91-L102 CarbonylContact O-C 3.43Å; Q91-L102 WeakPolarHBondContact O-CA 3.47Å; Q91-L103 HydrophobicContact CB-CB 4.27Å; Q91-L103 PolarHBondContact N-O 3.5Å; Q91-L103 PolarHBondContact O-N 2.59Å; Q91-L135 HydrophobicContact CB-CD2 4.02Å |
| 92 | L | 93.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.9 | 172 | -174.8 | 66.8 | 0 | 0 | 0 | 109.3 | Y90 G94 I95 L100 L102 I124 H128 I134 I136 | Y90-L92 PolarHBondContact O-N 3.38Å; L92-G94 WeakPolarHBondContact CD1-O 3.49Å; L92-I95 HydrophobicContact CD1-CG1 4.3Å; L92-I95 HydrophobicContact CD2-CD1 4.44Å; L92-I95 HydrophobicContact CD2-CG1 4.39Å; L92-L100 HydrophobicContact CD1-CB 4.38Å; L92-L100 HydrophobicContact CD1-CD2 3.91Å; L92-L102 HydrophobicContact CD1-CD2 3.83Å; L92-I124 HydrophobicContact CD2-CG2 3.71Å; L92-H128 HydrophobicContact CD2-CB 3.89Å; L92-I134 HydrophobicContact CB-CD1 4.48Å; L92-I134 HydrophobicContact CB-CG1 3.85Å; L92-I134 HydrophobicContact CD2-CD1 3.66Å; L92-I134 HydrophobicContact CD2-CG1 3.86Å; L92-I134 PolarHBondContact N-O 2.98Å; L92-I136 HydrophobicContact CB-CD1 4.44Å; L92-I136 HydrophobicContact CB-CG1 3.99Å; L92-I136 HydrophobicContact CD1-CG1 4.28Å; L92-I136 HydrophobicContact CD2-CD1 4.49Å |
| 93 | I | 93 | Very high | 91.5 | Very high | 81 Ų | 81 | 56 Ų | 56 | 42% | 0.415 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -21 | 176 | 59.6 | 165.6 | 0 | 0 | 0 | 112.7 | Q91 S101 L103 V109 | Q91-I93 HydrophobicContact CG-CG2 4.44Å; Q91-I93 PolarHBondContact O-N 2.9Å; I93-S101 WeakPolarHBondContact CG1-O 3.48Å; I93-S101 PolarHBondContact N-O 3.49Å; I93-L103 HydrophobicContact CG2-CB 3.67Å; I93-L103 HydrophobicContact CG2-CD2 4.19Å; I93-V109 HydrophobicContact CD1-CB 4.48Å; I93-V109 HydrophobicContact CD1-CG1 3.71Å; I93-V109 HydrophobicContact CD1-CG2 3.88Å |
| 94 | G | 91.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L92 S101 | L92-G94 WeakPolarHBondContact CD1-O 3.49Å; G94-S101 PolarHBondContact N-O 3.03Å; G94-S101 PolarHBondContact O-N 2.85Å |
| 95 | I | 92 | Very high | 91.1 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 22% | 0.221 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.9 | 170.6 | -52 | 174.8 | 0 | 0 | 0 | 107.1 | L92 Y99 L100 L115 I124 E125 H128 | L92-I95 HydrophobicContact CD1-CG1 4.3Å; L92-I95 HydrophobicContact CD2-CD1 4.44Å; L92-I95 HydrophobicContact CD2-CG1 4.39Å; I95-Y99 CarbonylContact C-O 3.57Å; I95-Y99 WeakPolarHBondContact CA-O 3.43Å; I95-L100 HydrophobicContact CD1-CD2 4.46Å; I95-L100 HydrophobicContact CG1-CD2 4.06Å; I95-L115 HydrophobicContact CD1-CD1 4.38Å; I95-I124 HydrophobicContact CD1-CG2 3.95Å; I95-E125 HydrophobicContact CD1-CB 4.45Å; I95-E125 HydrophobicContact CD1-CG 3.87Å; I95-H128 HydrophobicContact CD1-CB 4.14Å |
| 96 | Q | 88.8 | Confident | 91 | Very high | 110 Ų | 110 | 65 Ų | 65 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.2 | -175.4 | -69 | 173.6 | 74.1 | 0 | 0 | 109.8 | G98 Y99 S101 E111 | Q96-G98 PolarHBondContact O-N 2.97Å; Q96-Y99 PolarHBondContact N-O 2.88Å; Q96-Y99 WeakPolarHBondContact O-CA 3.45Å; Q96-Y99 WeakPolarHBondContact O-CB 3.46Å; Q96-Y99 PolarHBondContact O-N 3.5Å; Q96-S101 PolarHBondContact NE2-OG 3.34Å; Q96-E111 PolarHBondContact NE2-OE1 2.59Å; Q96-E111 VanDerWaalsContact NE2-OE1 3.14Å |
| 97 | D | 87.4 | Confident | 90.8 | Very high | 167 Ų | 167 | 62.5 Ų | 62.5 | 89% | 0.893 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.5 | 178.2 | -62 | -43.3 | 0 | 0 | 0 | 114.9 | Y99 | D97-Y99 WeakPolarHBondContact O-CD2 3.39Š|
| 98 | G | 87.4 | Confident | 90.8 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 10 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q96 K114 L115 | Q96-G98 PolarHBondContact O-N 2.97Å; G98-K114 VanDerWaalsContact O-CG 3.31Å; G98-K114 WeakPolarHBondContact O-CG 3.45Å; G98-L115 WeakPolarHBondContact O-CB 3.45Å; G98-L115 PolarHBondContact O-N 2.99Å |
| 99 | Y | 91.1 | Very high | 90.8 | Very high | 107 Ų | 107 | 61.2 Ų | 61.2 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 148 | 172.3 | -67.4 | -95.6 | 0 | 0 | 0 | 111.1 | I95 Q96 D97 K114 | I95-Y99 CarbonylContact C-O 3.57Å; I95-Y99 WeakPolarHBondContact CA-O 3.43Å; Q96-Y99 PolarHBondContact N-O 2.88Å; Q96-Y99 WeakPolarHBondContact O-CA 3.45Å; Q96-Y99 WeakPolarHBondContact O-CB 3.46Å; Q96-Y99 PolarHBondContact O-N 3.5Å; D97-Y99 WeakPolarHBondContact O-CD2 3.39Å; Y99-K114 HydrophobicContact CD1-CB 4.48Å; Y99-K114 HydrophobicContact CE1-CB 4.44Å |
| 100 | L | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.3 | 177.6 | -61.4 | 176.9 | 0 | 0 | 0 | 109.3 | L92 I95 L102 E111 L113 L115 I124 I136 A147 | L92-L100 HydrophobicContact CD1-CB 4.38Å; L92-L100 HydrophobicContact CD1-CD2 3.91Å; I95-L100 HydrophobicContact CD1-CD2 4.46Å; I95-L100 HydrophobicContact CG1-CD2 4.06Å; L100-L102 HydrophobicContact CB-CD1 4.29Å; L100-L102 HydrophobicContact CB-CD2 3.96Å; L100-L102 HydrophobicContact CB-CG 3.87Å; L100-E111 WeakPolarHBondContact O-CA 3.3Å; L100-L113 PolarHBondContact N-O 3.3Å; L100-L115 HydrophobicContact CD2-CB 4.32Å; L100-L115 HydrophobicContact CD2-CD1 3.61Å; L100-I124 HydrophobicContact CD2-CG2 4.01Å; L100-I136 HydrophobicContact CD1-CG2 4.28Å; L100-A147 HydrophobicContact CD1-CB 4.16Å |
| 101 | S | 93.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.8 | 165.7 | -54 | 0 | 0 | 0 | 0 | 108.1 | I93 G94 Q96 R110 E111 | I93-S101 WeakPolarHBondContact CG1-O 3.48Å; I93-S101 PolarHBondContact N-O 3.49Å; G94-S101 PolarHBondContact N-O 3.03Å; G94-S101 PolarHBondContact O-N 2.85Å; Q96-S101 PolarHBondContact NE2-OG 3.34Å; S101-R110 CarbonylContact C-O 3.58Å; S101-R110 WeakPolarHBondContact CA-O 3.3Å; S101-E111 PolarHBondContact OG-OE1 3.38Å |
| 102 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.1 | -171.3 | -63.5 | -177.3 | 0 | 0 | 0 | 110.6 | Y90 Q91 L92 L100 V109 R110 L113 I136 V138 | Y90-L102 HydrophobicContact CD1-CB 4.28Å; Y90-L102 HydrophobicContact CG-CB 4.21Å; Y90-L102 HydrophobicContact CG-CD1 4.34Å; Q91-L102 CarbonylContact O-C 3.43Å; Q91-L102 WeakPolarHBondContact O-CA 3.47Å; L92-L102 HydrophobicContact CD1-CD2 3.83Å; L100-L102 HydrophobicContact CB-CD1 4.29Å; L100-L102 HydrophobicContact CB-CD2 3.96Å; L100-L102 HydrophobicContact CB-CG 3.87Å; L102-V109 CarbonylContact O-C 3.57Å; L102-V109 WeakPolarHBondContact O-CA 3.18Å; L102-R110 HydrophobicContact CB-CB 4.44Å; L102-R110 PolarHBondContact N-O 3.3Å; L102-R110 PolarHBondContact O-N 2.96Å; L102-L113 HydrophobicContact CD1-CB 4.42Å; L102-L113 HydrophobicContact CD1-CD1 3.71Å; L102-I136 HydrophobicContact CD2-CB 3.85Å; L102-I136 HydrophobicContact CD2-CG1 3.72Å; L102-I136 HydrophobicContact CD2-CG2 4.44Å; L102-V138 HydrophobicContact CD1-CG2 3.93Å |
| 103 | L | 92.8 | Very high | 90.2 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.9 | 177.2 | 179.9 | 69 | 0 | 0 | 0 | 110.7 | Q91 I93 V109 | Q91-L103 HydrophobicContact CB-CB 4.27Å; Q91-L103 PolarHBondContact N-O 3.5Å; Q91-L103 PolarHBondContact O-N 2.59Å; I93-L103 HydrophobicContact CG2-CB 3.67Å; I93-L103 HydrophobicContact CG2-CD2 4.19Å; L103-V109 HydrophobicContact CD1-CG2 3.78Å |
| 104 | Q | 90.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 69 Ų | 69 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | trans | -84.9 | 159.4 | 171.4 | -70.4 | -175.1 | 25.3 | 0 | 0 | 111.9 | Y90 S106 G107 E108 | Y90-Q104 HydrophobicContact CD1-CB 4.46Å; Y90-Q104 HydrophobicContact CD1-CG 3.42Å; Y90-Q104 VanDerWaalsContact CD1-CG 3.42Å; Y90-Q104 HydrophobicContact CE1-CG 3.26Å; Q104-S106 WeakPolarHBondContact CB-OG 3.28Å; Q104-S106 PolarHBondContact O-N 3.01Å; Q104-S106 VanDerWaalsContact O-N 3.15Å; Q104-S106 PolarHBondContact OE1-OG 2.64Å; Q104-G107 PolarHBondContact O-N 3.43Å; Q104-E108 WeakPolarHBondContact CB-O 3.44Å; Q104-E108 PolarHBondContact N-O 3.17Å | ||
| 105 | D | 85.5 | Confident | 90 | Very high | 168 Ų | 168 | 69.6 Ų | 69.6 | 90% | 0.898 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.4 | 171.1 | -61.5 | -31.1 | 0 | 0 | 0 | 113 | G107 | D105-G107 PolarHBondContact O-N 2.82Š|
| 106 | S | 87.3 | Confident | 89.8 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 54% | 0.538 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.6 | 174.6 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | Q104 E108 | Q104-S106 WeakPolarHBondContact CB-OG 3.28Å; Q104-S106 PolarHBondContact O-N 3.01Å; Q104-S106 VanDerWaalsContact O-N 3.15Å; Q104-S106 PolarHBondContact OE1-OG 2.64Å; S106-E108 PolarHBondContact OG-N 3.05Å; S106-E108 PolarHBondContact OG-OE2 3.42Å |
| 107 | G | 86.7 | Confident | 89.7 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 88.6 | -0.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q104 D105 | Q104-G107 PolarHBondContact O-N 3.43Å; D105-G107 PolarHBondContact O-N 2.82Å |
| 108 | E | 90.7 | Very high | 89.7 | Confident | 126 Ų | 126 | 66 Ų | 66 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | trans | -78.3 | 140.2 | 174.7 | -67.3 | -178.5 | 100.4 | 0 | 0 | 111.6 | Q104 S106 | Q104-E108 WeakPolarHBondContact CB-O 3.44Å; Q104-E108 PolarHBondContact N-O 3.17Å; S106-E108 PolarHBondContact OG-N 3.05Å; S106-E108 PolarHBondContact OG-OE2 3.42Å | ||
| 109 | V | 91.4 | Very high | 89.7 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132 | 178 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | I93 L102 L103 E111 | I93-V109 HydrophobicContact CD1-CB 4.48Å; I93-V109 HydrophobicContact CD1-CG1 3.71Å; I93-V109 HydrophobicContact CD1-CG2 3.88Å; L102-V109 CarbonylContact O-C 3.57Å; L102-V109 WeakPolarHBondContact O-CA 3.18Å; L103-V109 HydrophobicContact CD1-CG2 3.78Å; V109-E111 HydrophobicContact CG1-CG 4.01Å |
| 110 | R | 89.8 | Confident | 89.6 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.1 | 173.8 | -81.1 | -172.5 | 59.8 | 175 | 1.4 | 110.3 | Y90 S101 L102 D112 E145 | Y90-R110 PolarHBondContact OH-NH1 3.25Å; S101-R110 CarbonylContact C-O 3.58Å; S101-R110 WeakPolarHBondContact CA-O 3.3Å; L102-R110 HydrophobicContact CB-CB 4.44Å; L102-R110 PolarHBondContact N-O 3.3Å; L102-R110 PolarHBondContact O-N 2.96Å; R110-D112 WeakPolarHBondContact CB-OD1 3.44Å; R110-D112 IonicContact CZ-OD1 3.2Å; R110-D112 IonicContact CZ-OD2 3.91Å; R110-D112 IonicContact NE-OD1 3.28Å; R110-D112 PolarHBondContact NE-OD1 2.8Å; R110-D112 IonicContact NE-OD2 3.29Å; R110-D112 IonicContact NH2-OD1 3.16Å; R110-D112 PolarHBondContact NH2-OD1 2.89Å; R110-D112 IonicContact NH2-OD2 2.74Å; R110-D112 PolarHBondContact NH2-OD2 3.34Å; R110-E145 IonicContact CZ-OE2 2.83Å; R110-E145 IonicContact NH1-OE1 3.38Å; R110-E145 PolarHBondContact NH1-OE1 2.95Å; R110-E145 IonicContact NH1-OE2 4Å; R110-E145 PolarHBondContact NH1-OE2 2.81Å; R110-E145 IonicContact NH2-OE1 3.57Å; R110-E145 IonicContact NH2-OE2 3.41Å; R110-E145 PolarHBondContact NH2-OE2 3.31Å |
| 111 | E | 91.6 | Very high | 89.6 | Confident | 105 Ų | 105 | 67.9 Ų | 67.9 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 13.5 | 180 | -53.1 | -169.4 | 102.7 | 0 | 0 | 112.1 | Q96 L100 S101 V109 | Q96-E111 PolarHBondContact NE2-OE1 2.59Å; Q96-E111 VanDerWaalsContact NE2-OE1 3.14Å; L100-E111 WeakPolarHBondContact O-CA 3.3Å; S101-E111 PolarHBondContact OG-OE1 3.38Å; V109-E111 HydrophobicContact CG1-CG 4.01Å |
| 112 | D | 88.4 | Confident | 89.5 | Confident | 92 Ų | 92 | 74 Ų | 74 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -16.1 | -175.8 | 62.7 | -59.5 | 0 | 0 | 0 | 113.3 | R110 | R110-D112 WeakPolarHBondContact CB-OD1 3.44Å; R110-D112 IonicContact CZ-OD1 3.2Å; R110-D112 IonicContact CZ-OD2 3.91Å; R110-D112 IonicContact NE-OD1 3.28Å; R110-D112 PolarHBondContact NE-OD1 2.8Å; R110-D112 IonicContact NE-OD2 3.29Å; R110-D112 IonicContact NH2-OD1 3.16Å; R110-D112 PolarHBondContact NH2-OD1 2.89Å; R110-D112 IonicContact NH2-OD2 2.74Å; R110-D112 PolarHBondContact NH2-OD2 3.34Å |
| 113 | L | 90.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 78.1 Ų | 78.1 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 125.3 | -177.5 | -72.8 | 170.2 | 0 | 0 | 0 | 111.8 | L100 L102 V138 E145 | L100-L113 PolarHBondContact N-O 3.3Å; L102-L113 HydrophobicContact CD1-CB 4.42Å; L102-L113 HydrophobicContact CD1-CD1 3.71Å; L113-V138 HydrophobicContact CD1-CB 4.28Å; L113-V138 HydrophobicContact CD1-CG1 3.71Å; L113-V138 HydrophobicContact CD1-CG2 3.57Å; L113-E145 HydrophobicContact CD2-CB 3.92Å |
| 114 | K | 90.1 | Very high | 89.4 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 145.7 | 175.9 | -161.3 | 177.8 | 179.8 | -174.1 | 0 | 111 | G98 Y99 | G98-K114 VanDerWaalsContact O-CG 3.31Å; G98-K114 WeakPolarHBondContact O-CG 3.45Å; Y99-K114 HydrophobicContact CD1-CB 4.48Å; Y99-K114 HydrophobicContact CE1-CB 4.44Å |
| 115 | L | 89.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 77.3 Ų | 77.3 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 125.4 | 168 | -178 | 76 | 0 | 0 | 0 | 109.1 | I95 G98 L100 I124 E125 | I95-L115 HydrophobicContact CD1-CD1 4.38Å; G98-L115 WeakPolarHBondContact O-CB 3.45Å; G98-L115 PolarHBondContact O-N 2.99Å; L100-L115 HydrophobicContact CD2-CB 4.32Å; L100-L115 HydrophobicContact CD2-CD1 3.61Å; L115-I124 HydrophobicContact CD1-CB 3.96Å; L115-I124 HydrophobicContact CD1-CD1 4.25Å; L115-I124 HydrophobicContact CD1-CG2 3.84Å; L115-E125 HydrophobicContact CD1-CG 4.24Å; L115-E125 HydrophobicContact CD2-CG 3.74Å |
| 116 | P | 88.1 | Confident | 89.8 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 144.1 | 179 | 25.6 | -34.2 | 0 | 0 | 0 | 110.7 | L120 G121 I124 A147 | P116-L120 HydrophobicContact CB-CD2 4.05Å; P116-L120 HydrophobicContact CB-CG 4.46Å; P116-L120 HydrophobicContact CG-CB 4.34Å; P116-L120 HydrophobicContact CG-CD2 3.76Å; P116-L120 HydrophobicContact CG-CG 3.84Å; P116-G121 WeakPolarHBondContact O-CA 3.34Å; P116-G121 PolarHBondContact O-N 3.06Å; P116-I124 HydrophobicContact CG-CD1 3.65Å; P116-A147 HydrophobicContact CG-CB 3.98Å |
| 117 | E | 86.2 | Confident | 89.9 | Confident | 173 Ų | 173 | 72.4 Ų | 72.4 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -76.5 | 162 | 176.8 | -61.2 | -174.3 | 156.1 | 0 | 0 | 111.8 | ||
| 118 | G | 87.4 | Confident | 90.1 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 87.1 | -152.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | L120 K122 | G118-L120 VanDerWaalsContact C-N 3.3Å; G118-L120 PolarHBondContact O-N 3.43Å; G118-K122 WeakPolarHBondContact O-CG 3.45Å; G118-K122 PolarHBondContact O-N 3.38Å |
| 119 | D | 88.2 | Confident | 90 | Very high | 132 Ų | 132 | 74.9 Ų | 74.9 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.1 | -31 | -173.8 | -62.4 | -36.8 | 0 | 0 | 0 | 112.5 | K122 E123 | D119-K122 PolarHBondContact O-N 2.96Å; D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 2.84Å |
| 120 | L | 88.9 | Confident | 90 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.9 | -176.8 | 64.5 | 0 | 0 | 0 | 111.6 | P116 G118 K122 E123 I124 A147 I150 | P116-L120 HydrophobicContact CB-CD2 4.05Å; P116-L120 HydrophobicContact CB-CG 4.46Å; P116-L120 HydrophobicContact CG-CB 4.34Å; P116-L120 HydrophobicContact CG-CD2 3.76Å; P116-L120 HydrophobicContact CG-CG 3.84Å; G118-L120 VanDerWaalsContact C-N 3.3Å; G118-L120 PolarHBondContact O-N 3.43Å; L120-K122 PolarHBondContact O-N 2.84Å; L120-E123 PolarHBondContact O-N 2.8Å; L120-I124 HydrophobicContact CG-CD1 4.26Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.45Å; L120-I124 PolarHBondContact O-N 2.87Å; L120-A147 WeakPolarHBondContact CD2-O 3.41Å; L120-I150 HydrophobicContact CD1-CD1 4.05Å; L120-I150 HydrophobicContact CD1-CG1 3.81Å |
| 121 | G | 90.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P116 E123 I124 E125 | P116-G121 WeakPolarHBondContact O-CA 3.34Å; P116-G121 PolarHBondContact O-N 3.06Å; G121-E123 VanDerWaalsContact C-N 3.29Å; G121-E123 PolarHBondContact O-N 3.19Å; G121-I124 WeakPolarHBondContact O-CB 3.45Å; G121-I124 PolarHBondContact O-N 3.35Å; G121-I124 VanDerWaalsContact O-N 3.13Å; G121-E125 WeakPolarHBondContact O-CG 3.21Å; G121-E125 PolarHBondContact O-N 2.81Å |
| 122 | K | 91.6 | Very high | 89.8 | Confident | 133 Ų | 133 | 75.2 Ų | 75.2 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.2 | -38.1 | 176.8 | -66.5 | 175.1 | -174.7 | 172.2 | 0 | 112.4 | G118 D119 L120 S126 | G118-K122 WeakPolarHBondContact O-CG 3.45Å; G118-K122 PolarHBondContact O-N 3.38Å; D119-K122 PolarHBondContact O-N 2.96Å; L120-K122 PolarHBondContact O-N 2.84Å; K122-S126 WeakPolarHBondContact O-CB 3.47Å; K122-S126 PolarHBondContact O-N 2.82Å |
| 123 | E | 91.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 76.5 Ų | 76.5 | 40% | 0.397 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.9 | -169.5 | 179.8 | 172 | 0 | 0 | 111.4 | D119 L120 G121 R127 I150 | D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 2.84Å; L120-E123 PolarHBondContact O-N 2.8Å; G121-E123 VanDerWaalsContact C-N 3.29Å; G121-E123 PolarHBondContact O-N 3.19Å; E123-R127 HydrophobicContact CG-CG 4.49Å; E123-R127 WeakPolarHBondContact O-CB 3.32Å; E123-R127 WeakPolarHBondContact O-CG 3.24Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.42Å; E123-R127 IonicContact OE1-NE 3.05Å; E123-R127 PolarHBondContact OE1-NE 2.87Å; E123-R127 IonicContact OE1-NH2 2.87Å; E123-R127 PolarHBondContact OE1-NH2 3.05Å; E123-I150 HydrophobicContact CB-CD1 3.81Å; E123-I150 HydrophobicContact CG-CD1 3.69Å |
| 124 | I | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 175.1 | -67.4 | 170 | 0 | 0 | 0 | 110.5 | L92 I95 L100 L115 P116 L120 G121 R127 H128 I134 I136 I150 | L92-I124 HydrophobicContact CD2-CG2 3.71Å; I95-I124 HydrophobicContact CD1-CG2 3.95Å; L100-I124 HydrophobicContact CD2-CG2 4.01Å; L115-I124 HydrophobicContact CD1-CB 3.96Å; L115-I124 HydrophobicContact CD1-CD1 4.25Å; L115-I124 HydrophobicContact CD1-CG2 3.84Å; P116-I124 HydrophobicContact CG-CD1 3.65Å; L120-I124 HydrophobicContact CG-CD1 4.26Å; L120-I124 VanDerWaalsContact O-CG1 3.31Å; L120-I124 WeakPolarHBondContact O-CG1 3.45Å; L120-I124 PolarHBondContact O-N 2.87Å; G121-I124 WeakPolarHBondContact O-CB 3.45Å; G121-I124 PolarHBondContact O-N 3.35Å; G121-I124 VanDerWaalsContact O-N 3.13Å; I124-R127 PolarHBondContact O-N 2.79Å; I124-H128 VanDerWaalsContact O-CB 3.31Å; I124-H128 WeakPolarHBondContact O-CB 3.32Å; I124-H128 PolarHBondContact O-N 2.95Å; I124-I134 HydrophobicContact CG2-CD1 4.39Å; I124-I136 HydrophobicContact CD1-CD1 3.93Å; I124-I136 HydrophobicContact CG1-CD1 3.81Å; I124-I136 HydrophobicContact CG2-CD1 4.08Å; I124-I150 HydrophobicContact CB-CD1 4.25Å; I124-I150 HydrophobicContact CD1-CD1 4.48Å; I124-I150 HydrophobicContact CD1-CG1 4.36Å; I124-I150 HydrophobicContact CG1-CD1 3.36Å; I124-I150 HydrophobicContact CG1-CG1 3.62Å |
| 125 | E | 91.9 | Very high | 90 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 179.1 | -70.6 | 177.5 | 111.2 | 0 | 0 | 111.2 | I95 L115 G121 R127 H128 E129 | I95-E125 HydrophobicContact CD1-CB 4.45Å; I95-E125 HydrophobicContact CD1-CG 3.87Å; L115-E125 HydrophobicContact CD1-CG 4.24Å; L115-E125 HydrophobicContact CD2-CG 3.74Å; G121-E125 WeakPolarHBondContact O-CG 3.21Å; G121-E125 PolarHBondContact O-N 2.81Å; E125-R127 PolarHBondContact O-N 2.88Å; E125-H128 PolarHBondContact O-N 2.81Å; E125-E129 WeakPolarHBondContact O-CG 3.27Å; E125-E129 PolarHBondContact O-N 2.9Å |
| 126 | S | 92.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 50% | 0.503 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 112.9 | K122 E129 A130 | K122-S126 WeakPolarHBondContact O-CB 3.47Å; K122-S126 PolarHBondContact O-N 2.82Å; S126-E129 PolarHBondContact O-N 2.81Å; S126-A130 WeakPolarHBondContact O-CB 3.36Å; S126-A130 PolarHBondContact O-N 3.43Å |
| 127 | R | 90.8 | Very high | 90.4 | Very high | 70 Ų | 70 | 69.2 Ų | 69.2 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 177.8 | -72.6 | -172.7 | -174 | -112.2 | 7.7 | 112.4 | E123 I124 E125 A130 G131 E132 I134 | E123-R127 HydrophobicContact CG-CG 4.49Å; E123-R127 WeakPolarHBondContact O-CB 3.32Å; E123-R127 WeakPolarHBondContact O-CG 3.24Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.42Å; E123-R127 IonicContact OE1-NE 3.05Å; E123-R127 PolarHBondContact OE1-NE 2.87Å; E123-R127 IonicContact OE1-NH2 2.87Å; E123-R127 PolarHBondContact OE1-NH2 3.05Å; I124-R127 PolarHBondContact O-N 2.79Å; E125-R127 PolarHBondContact O-N 2.88Å; R127-A130 PolarHBondContact O-N 3.47Å; R127-G131 PolarHBondContact O-N 3.12Å; R127-E132 HydrophobicContact CB-CB 4.4Å; R127-E132 IonicContact CZ-OE2 3.01Å; R127-E132 IonicContact NH1-OE2 2.64Å; R127-E132 PolarHBondContact NH1-OE2 3.14Å; R127-E132 WeakPolarHBondContact O-CB 3.46Å; R127-E132 PolarHBondContact O-N 3.28Å; R127-I134 HydrophobicContact CB-CD1 3.99Å; R127-I134 HydrophobicContact CB-CG2 4.05Å |
| 128 | H | 90.2 | Very high | 90.6 | Very high | 64 Ų | 64 | 61 Ų | 61 | 30% | 0.296 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175 | -175 | 58.4 | 0 | 0 | 0 | 111.5 | L92 I95 I124 E125 A130 G131 | L92-H128 HydrophobicContact CD2-CB 3.89Å; I95-H128 HydrophobicContact CD1-CB 4.14Å; I124-H128 VanDerWaalsContact O-CB 3.31Å; I124-H128 WeakPolarHBondContact O-CB 3.32Å; I124-H128 PolarHBondContact O-N 2.95Å; E125-H128 PolarHBondContact O-N 2.81Å; H128-A130 VanDerWaalsContact C-N 3.28Å; H128-A130 PolarHBondContact O-N 2.8Å; H128-G131 PolarHBondContact O-N 3.23Å |
| 129 | E | 89.8 | Confident | 90.9 | Very high | 167 Ų | 167 | 59.8 Ų | 59.8 | 78% | 0.78 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.9 | -31.7 | 175 | -71.5 | -176.4 | 138.9 | 0 | 0 | 112.7 | E125 S126 G131 | E125-E129 WeakPolarHBondContact O-CG 3.27Å; E125-E129 PolarHBondContact O-N 2.9Å; S126-E129 PolarHBondContact O-N 2.81Å; E129-G131 PolarHBondContact O-N 3.26Å |
| 130 | A | 90.5 | Very high | 91 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S126 R127 H128 E132 | S126-A130 WeakPolarHBondContact O-CB 3.36Å; S126-A130 PolarHBondContact O-N 3.43Å; R127-A130 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.28Å; H128-A130 PolarHBondContact O-N 2.8Å; A130-E132 VanDerWaalsContact C-N 3.26Å; A130-E132 HydrophobicContact CB-CG 4.24Å; A130-E132 PolarHBondContact O-N 2.94Å |
| 131 | G | 86.9 | Confident | 91.1 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 67% | 0.67 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 22.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R127 H128 E129 | R127-G131 PolarHBondContact O-N 3.12Å; H128-G131 PolarHBondContact O-N 3.23Å; E129-G131 PolarHBondContact O-N 3.26Å |
| 132 | E | 89.6 | Confident | 90.7 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | trans | -76.3 | 134.4 | 173.9 | -68.8 | -177.1 | -159.4 | 0 | 0 | 110.3 | R127 A130 I134 | R127-E132 HydrophobicContact CB-CB 4.4Å; R127-E132 IonicContact CZ-OE2 3.01Å; R127-E132 IonicContact NH1-OE2 2.64Å; R127-E132 PolarHBondContact NH1-OE2 3.14Å; R127-E132 WeakPolarHBondContact O-CB 3.46Å; R127-E132 PolarHBondContact O-N 3.28Å; A130-E132 VanDerWaalsContact C-N 3.26Å; A130-E132 HydrophobicContact CB-CG 4.24Å; A130-E132 PolarHBondContact O-N 2.94Å; E132-I134 HydrophobicContact CB-CG2 4.11Å; E132-I134 PolarHBondContact O-N 2.85Å | ||
| 133 | E | 88.9 | Confident | 90.4 | Very high | 119 Ų | 119 | 56.5 Ų | 56.5 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | trans | -76 | 113.9 | 168.7 | -65.2 | -176.4 | 100.7 | 0 | 0 | 109 | L153 | E133-L153 HydrophobicContact CB-CB 3.91Å; E133-L153 HydrophobicContact CB-CD2 3.98Å; E133-L153 VanDerWaalsContact O-CB 3.23Å; E133-L153 WeakPolarHBondContact O-CB 3.14Å; E133-L153 PolarHBondContact O-N 2.97Å | ||
| 134 | I | 92.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146 | -179 | 62.9 | 173.5 | 0 | 0 | 0 | 111.6 | L92 I124 R127 E132 I136 I150 K151 | L92-I134 HydrophobicContact CB-CD1 4.48Å; L92-I134 HydrophobicContact CB-CG1 3.85Å; L92-I134 HydrophobicContact CD2-CD1 3.66Å; L92-I134 HydrophobicContact CD2-CG1 3.86Å; L92-I134 PolarHBondContact N-O 2.98Å; I124-I134 HydrophobicContact CG2-CD1 4.39Å; R127-I134 HydrophobicContact CB-CD1 3.99Å; R127-I134 HydrophobicContact CB-CG2 4.05Å; E132-I134 HydrophobicContact CB-CG2 4.11Å; E132-I134 PolarHBondContact O-N 2.85Å; I134-I136 HydrophobicContact CD1-CD1 3.91Å; I134-I136 HydrophobicContact CG1-CD1 4.29Å; I134-I150 HydrophobicContact CB-CG2 3.78Å; I134-I150 HydrophobicContact CD1-CG2 3.83Å; I134-I150 HydrophobicContact CG1-CG2 4.31Å; I134-I150 HydrophobicContact CG2-CG2 4.09Å; I134-K151 WeakPolarHBondContact CA-O 3.37Å |
| 135 | L | 92.3 | Very high | 90 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.2 | 169.5 | -62.2 | 174.6 | 0 | 0 | 0 | 109.1 | D89 Y90 Q91 I150 K151 L153 | D89-L135 HydrophobicContact CB-CB 4.46Å; Y90-L135 CarbonylContact O-C 3.57Å; Y90-L135 WeakPolarHBondContact O-CA 3.47Å; Q91-L135 HydrophobicContact CB-CD2 4.02Å; L135-I150 CarbonylContact O-C 3.54Å; L135-I150 WeakPolarHBondContact O-CA 3.16Å; L135-K151 HydrophobicContact CB-CB 4.25Å; L135-K151 PolarHBondContact N-O 2.81Å; L135-K151 PolarHBondContact O-N 2.93Å; L135-L153 HydrophobicContact CD1-CD1 3.71Å; L135-L153 HydrophobicContact CD2-CD1 3.84Å; L135-L153 HydrophobicContact CG-CD1 3.69Å |
| 136 | I | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.9 | 171.2 | -54.5 | -53.4 | 0 | 0 | 0 | 108.4 | D89 Y90 L92 L100 L102 I124 I134 V138 A147 I150 | D89-I136 WeakPolarHBondContact CA-O 3.42Å; Y90-I136 PolarHBondContact N-O 2.81Å; Y90-I136 PolarHBondContact O-N 3.03Å; L92-I136 HydrophobicContact CB-CD1 4.44Å; L92-I136 HydrophobicContact CB-CG1 3.99Å; L92-I136 HydrophobicContact CD1-CG1 4.28Å; L92-I136 HydrophobicContact CD2-CD1 4.49Å; L100-I136 HydrophobicContact CD1-CG2 4.28Å; L102-I136 HydrophobicContact CD2-CB 3.85Å; L102-I136 HydrophobicContact CD2-CG1 3.72Å; L102-I136 HydrophobicContact CD2-CG2 4.44Å; I124-I136 HydrophobicContact CD1-CD1 3.93Å; I124-I136 HydrophobicContact CG1-CD1 3.81Å; I124-I136 HydrophobicContact CG2-CD1 4.08Å; I134-I136 HydrophobicContact CD1-CD1 3.91Å; I134-I136 HydrophobicContact CG1-CD1 4.29Å; I136-V138 HydrophobicContact CG2-CG2 4.34Å; I136-V138 PolarHBondContact O-N 3.12Å; I136-A147 HydrophobicContact CG2-CB 3.63Å; I136-I150 HydrophobicContact CD1-CG1 4.23Å; I136-I150 HydrophobicContact CD1-CG2 4.42Å |
| 137 | T | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.4 | 173.6 | -55 | 0 | 0 | 0 | 0 | 109.9 | R87 D89 V148 G149 | R87-T137 HydrophobicContact CG-CG2 3.31Å; D89-T137 WeakPolarHBondContact OD1-CA 3.38Å; D89-T137 VanDerWaalsContact OD1-CB 3.23Å; D89-T137 WeakPolarHBondContact OD1-CB 3.33Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.23Å; D89-T137 PolarHBondContact OD1-OG1 3.13Å; T137-V148 HydrophobicContact CG2-CG2 4.29Å; T137-V148 WeakPolarHBondContact O-CG2 3.21Å; T137-V148 PolarHBondContact O-N 3.49Å; T137-G149 PolarHBondContact N-O 2.77Å; T137-G149 PolarHBondContact O-N 2.08Å |
| 138 | V | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.5 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | R87 M88 Y90 L102 L113 I136 E145 A146 | R87-V138 WeakPolarHBondContact CA-O 3.3Å; M88-V138 PolarHBondContact N-O 2.86Å; M88-V138 PolarHBondContact O-N 2.78Å; Y90-V138 HydrophobicContact CD2-CB 4.09Å; Y90-V138 HydrophobicContact CD2-CG2 3.61Å; Y90-V138 HydrophobicContact CE2-CB 3.74Å; Y90-V138 HydrophobicContact CE2-CG2 3.7Å; L102-V138 HydrophobicContact CD1-CG2 3.93Å; L113-V138 HydrophobicContact CD1-CB 4.28Å; L113-V138 HydrophobicContact CD1-CG1 3.71Å; L113-V138 HydrophobicContact CD1-CG2 3.57Å; I136-V138 HydrophobicContact CG2-CG2 4.34Å; I136-V138 PolarHBondContact O-N 3.12Å; V138-E145 HydrophobicContact CG1-CB 4.24Å; V138-A146 WeakPolarHBondContact CA-O 3.31Å |
| 139 | L | 92.1 | Very high | 89.7 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.6 | 174.1 | -171.4 | 149.1 | 0 | 0 | 0 | 108.9 | I64 F65 I85 K86 A141 E145 A146 V148 | I64-L139 HydrophobicContact CD1-CD2 3.42Å; I64-L139 VanDerWaalsContact CD1-CD2 3.42Å; I64-L139 HydrophobicContact CG1-CD2 4.2Å; F65-L139 HydrophobicContact CE1-CD2 3.84Å; F65-L139 HydrophobicContact CZ-CD2 3.66Å; I85-L139 HydrophobicContact CG2-CD1 3.77Å; I85-L139 HydrophobicContact CG2-CD2 3.93Å; I85-L139 HydrophobicContact CG2-CG 3.7Å; K86-L139 WeakPolarHBondContact O-CA 3.46Å; L139-A141 HydrophobicContact CD2-CB 4.07Å; L139-E145 VanDerWaalsContact O-CA 3.31Å; L139-E145 WeakPolarHBondContact O-CA 3.46Å; L139-A146 PolarHBondContact N-O 2.84Å; L139-A146 PolarHBondContact O-N 3.34Å; L139-V148 HydrophobicContact CB-CB 4.4Å; L139-V148 HydrophobicContact CB-CG1 3.77Å; L139-V148 HydrophobicContact CB-CG2 3.7Å; L139-V148 HydrophobicContact CD1-CG2 4.38Å |
| 140 | N | 90.5 | Very high | 89.8 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.6 | 173.3 | 171.7 | -94.7 | 0 | 0 | 0 | 109.1 | I85 K86 E144 E145 | I85-N140 WeakPolarHBondContact CA-O 3.4Å; K86-N140 HydrophobicContact CB-CB 4.24Å; K86-N140 PolarHBondContact N-O 3.36Å; K86-N140 PolarHBondContact O-N 2.91Å; N140-E144 WeakPolarHBondContact CA-O 3.31Å; N140-E145 HydrophobicContact CB-CG 3.74Å; N140-E145 WeakPolarHBondContact ND2-CG 3.33Å |
| 141 | A | 90.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 130.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P38 I64 F65 I85 L139 D143 E144 | P38-A141 HydrophobicContact CB-CB 4.13Å; P38-A141 HydrophobicContact CG-CB 4.2Å; I64-A141 HydrophobicContact CD1-CB 3.85Å; F65-A141 HydrophobicContact CE2-CB 4.03Å; F65-A141 HydrophobicContact CZ-CB 4.02Å; I85-A141 HydrophobicContact CG1-CB 4.08Å; L139-A141 HydrophobicContact CD2-CB 4.07Å; A141-D143 VanDerWaalsContact C-N 3.28Å; A141-D143 PolarHBondContact O-N 3.28Å; A141-E144 PolarHBondContact N-O 3.47Å; A141-E144 PolarHBondContact O-N 3.04Å |
| 142 | M | 83.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 26% | 0.261 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | -76.9 | -175.4 | -58.3 | 175.4 | 63.9 | 0 | 0 | 113.1 | A17 T18 V33 P38 P83 | A17-M142 HydrophobicContact CB-CB 4.07Å; A17-M142 HydrophobicContact CB-CG 4.26Å; T18-M142 HydrophobicContact CG2-CE 3.94Å; T18-M142 HydrophobicContact CG2-CG 4.06Å; T18-M142 HydrophobicContact CG2-SD 4.07Å; V33-M142 HydrophobicContact CG1-CE 4.49Å; V33-M142 HydrophobicContact CG1-SD 4.28Å; V33-M142 HydrophobicContact CG2-SD 3.8Å; P38-M142 HydrophobicContact CB-SD 4.33Å; P83-M142 HydrophobicContact CB-CG 4.01Å; P83-M142 HydrophobicContact CB-SD 4.38Å |
| 143 | D | 83.9 | Confident | 89.2 | Confident | 152 Ų | 152 | 43 Ų | 43 | 81% | 0.813 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -151.6 | 11.6 | 177.1 | -61.4 | -75.8 | 0 | 0 | 0 | 111.3 | A141 | A141-D143 VanDerWaalsContact C-N 3.28Å; A141-D143 PolarHBondContact O-N 3.28Å |
| 144 | E | 87.4 | Confident | 88 | Confident | 67 Ų | 67 | 40.5 Ų | 40.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.9 | -177.6 | -169.6 | 170.4 | 161 | 0 | 0 | 109 | R37 F65 N140 A141 | R37-E144 IonicContact CZ-OE2 2.93Å; R37-E144 VanDerWaalsContact CZ-OE2 3.29Å; R37-E144 IonicContact NH1-OE1 2.68Å; R37-E144 IonicContact NH1-OE2 2.82Å; R37-E144 PolarHBondContact NH1-OE2 3.38Å; R37-E144 IonicContact NH2-OE1 3.34Å; R37-E144 PolarHBondContact NH2-OE1 3.47Å; R37-E144 IonicContact NH2-OE2 3.55Å; R37-E144 PolarHBondContact NH2-OE2 2.79Å; R37-E144 VanDerWaalsContact NH2-OE2 3.16Å; F65-E144 WeakPolarHBondContact CB-OE1 3.43Å; F65-E144 HydrophobicContact CD1-CG 4.27Å; F65-E144 HydrophobicContact CD2-CB 4.06Å; F65-E144 VanDerWaalsContact CD2-CD 3.41Å; F65-E144 HydrophobicContact CD2-CG 3.75Å; F65-E144 HydrophobicContact CE1-CG 4.33Å; F65-E144 HydrophobicContact CE2-CB 3.64Å; F65-E144 HydrophobicContact CE2-CG 3.8Å; F65-E144 HydrophobicContact CG-CG 3.99Å; F65-E144 WeakPolarHBondContact CG-OE1 3.42Å; F65-E144 HydrophobicContact CZ-CB 3.99Å; F65-E144 HydrophobicContact CZ-CG 4.1Å; F65-E144 VanDerWaalsContact CZ-O 3.22Å; F65-E144 WeakPolarHBondContact CZ-O 3.46Å; N140-E144 WeakPolarHBondContact CA-O 3.31Å; A141-E144 PolarHBondContact N-O 3.47Å; A141-E144 PolarHBondContact O-N 3.04Å |
| 145 | E | 89.8 | Confident | 85.8 | Confident | 62 Ų | 62 | 54 Ų | 54 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.6 | 175.6 | -66.5 | -164.7 | 105.7 | 0 | 0 | 110.2 | R110 L113 V138 L139 N140 | R110-E145 IonicContact CZ-OE2 2.83Å; R110-E145 IonicContact NH1-OE1 3.38Å; R110-E145 PolarHBondContact NH1-OE1 2.95Å; R110-E145 IonicContact NH1-OE2 4Å; R110-E145 PolarHBondContact NH1-OE2 2.81Å; R110-E145 IonicContact NH2-OE1 3.57Å; R110-E145 IonicContact NH2-OE2 3.41Å; R110-E145 PolarHBondContact NH2-OE2 3.31Å; L113-E145 HydrophobicContact CD2-CB 3.92Å; V138-E145 HydrophobicContact CG1-CB 4.24Å; L139-E145 VanDerWaalsContact O-CA 3.31Å; L139-E145 WeakPolarHBondContact O-CA 3.46Å; N140-E145 HydrophobicContact CB-CG 3.74Å; N140-E145 WeakPolarHBondContact ND2-CG 3.33Å |
| 146 | A | 88.9 | Confident | 85.4 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F65 V138 L139 V148 | F65-A146 HydrophobicContact CD1-CB 3.56Å; F65-A146 HydrophobicContact CE1-CB 3.79Å; V138-A146 WeakPolarHBondContact CA-O 3.31Å; L139-A146 PolarHBondContact N-O 2.84Å; L139-A146 PolarHBondContact O-N 3.34Å; A146-V148 PolarHBondContact O-N 2.78Å |
| 147 | A | 90.1 | Very high | 85 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L100 P116 L120 I136 | L100-A147 HydrophobicContact CD1-CB 4.16Å; P116-A147 HydrophobicContact CG-CB 3.98Å; L120-A147 WeakPolarHBondContact CD2-O 3.41Å; I136-A147 HydrophobicContact CG2-CB 3.63Å |
| 148 | V | 90.2 | Very high | 84.6 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 30% | 0.297 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -2.6 | -174.9 | -64 | 0 | 0 | 0 | 0 | 113.4 | T137 L139 A146 | T137-V148 HydrophobicContact CG2-CG2 4.29Å; T137-V148 WeakPolarHBondContact O-CG2 3.21Å; T137-V148 PolarHBondContact O-N 3.49Å; L139-V148 HydrophobicContact CB-CB 4.4Å; L139-V148 HydrophobicContact CB-CG1 3.77Å; L139-V148 HydrophobicContact CB-CG2 3.7Å; L139-V148 HydrophobicContact CD1-CG2 4.38Å; A146-V148 PolarHBondContact O-N 2.78Å |
| 149 | G | 88.9 | Confident | 84.2 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 13% | 0.134 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | 167.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T137 | T137-G149 PolarHBondContact N-O 2.77Å; T137-G149 PolarHBondContact O-N 2.08Å |
| 150 | I | 91.4 | Very high | 83.7 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.4 | 177.2 | -48.7 | 170.2 | 0 | 0 | 0 | 107.6 | L120 E123 I124 I134 L135 I136 | L120-I150 HydrophobicContact CD1-CD1 4.05Å; L120-I150 HydrophobicContact CD1-CG1 3.81Å; E123-I150 HydrophobicContact CB-CD1 3.81Å; E123-I150 HydrophobicContact CG-CD1 3.69Å; I124-I150 HydrophobicContact CB-CD1 4.25Å; I124-I150 HydrophobicContact CD1-CD1 4.48Å; I124-I150 HydrophobicContact CD1-CG1 4.36Å; I124-I150 HydrophobicContact CG1-CD1 3.36Å; I124-I150 HydrophobicContact CG1-CG1 3.62Å; I134-I150 HydrophobicContact CB-CG2 3.78Å; I134-I150 HydrophobicContact CD1-CG2 3.83Å; I134-I150 HydrophobicContact CG1-CG2 4.31Å; I134-I150 HydrophobicContact CG2-CG2 4.09Å; L135-I150 CarbonylContact O-C 3.54Å; L135-I150 WeakPolarHBondContact O-CA 3.16Å; I136-I150 HydrophobicContact CD1-CG1 4.23Å; I136-I150 HydrophobicContact CD1-CG2 4.42Å |
| 151 | K | 90.8 | Very high | 83.2 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.8 | 165.7 | -61.1 | 173.5 | -176.1 | 169.5 | 0 | 108.1 | D89 I134 L135 L153 | D89-K151 IonicContact OD1-NZ 3.97Å; D89-K151 PolarHBondContact OD1-NZ 2.88Å; D89-K151 IonicContact OD2-NZ 3.5Å; D89-K151 PolarHBondContact OD2-NZ 3.45Å; I134-K151 WeakPolarHBondContact CA-O 3.37Å; L135-K151 HydrophobicContact CB-CB 4.25Å; L135-K151 PolarHBondContact N-O 2.81Å; L135-K151 PolarHBondContact O-N 2.93Å; K151-L153 PolarHBondContact O-N 3.03Å |
| 152 | A | 85.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G154 | A152-G154 PolarHBondContact O-N 2.83Å |
| 153 | L | 77.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | trans | -72.4 | 99.7 | 166.6 | -158.6 | 78.6 | 0 | 0 | 0 | 105.8 | E133 L135 K151 K155 | E133-L153 HydrophobicContact CB-CB 3.91Å; E133-L153 HydrophobicContact CB-CD2 3.98Å; E133-L153 VanDerWaalsContact O-CB 3.23Å; E133-L153 WeakPolarHBondContact O-CB 3.14Å; E133-L153 PolarHBondContact O-N 2.97Å; L135-L153 HydrophobicContact CD1-CD1 3.71Å; L135-L153 HydrophobicContact CD2-CD1 3.84Å; L135-L153 HydrophobicContact CG-CD1 3.69Å; K151-L153 PolarHBondContact O-N 3.03Å; L153-K155 PolarHBondContact O-N 3.05Å | ||
| 154 | G | 65.3 | Low | 82.5 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | trans | -58.2 | 136.1 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | A152 | A152-G154 PolarHBondContact O-N 2.83Š| ||
| 155 | K | 44.6 | Very low | 82.1 | Confident | 286 Ų | 286 | 70.1 Ų | 70.1 | 100% | 1.243 | 40% | 0.402 | S | S | * | . | trans | -62.5 | 0 | 162.4 | -76.1 | -176.7 | 176.8 | 176.3 | 0 | 111.4 | L153 | L153-K155 PolarHBondContact O-N 3.05Š|
Retrieved 155 of 155 residues in 1050.3 ms
(Link to these results)