| 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 | 50.4 | Low | 47.3 | Very low | 251 Ų | 251 | 137.3 Ų | 137.3 | 100% | 1.236 | 80% | 0.795 | S | S | * | * | 0 | 115.6 | 0 | -74.5 | -168.1 | 164.4 | 0 | 0 | 107.2 | |||||
| 2 | A | 44.3 | Very low | 47.3 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -145.5 | 96.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | A4 | A2-A4 PolarHBondContact O-N 3.31Š| ||
| 3 | D | 45.5 | Very low | 47.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -68.5 | 116.4 | 178 | -139.9 | -93.9 | 0 | 0 | 0 | 107.5 | D5 | D3-D5 PolarHBondContact O-N 3.41Š| ||
| 4 | A | 49.7 | Very low | 47.4 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 96.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | A2 V6 | A2-A4 PolarHBondContact O-N 3.31Å; A4-V6 VanDerWaalsContact C-N 3.33Å; A4-V6 PolarHBondContact O-N 2.93Å | ||
| 5 | D | 48.4 | Very low | 48.2 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -61.3 | 95.7 | 168.8 | -163.8 | -103.8 | 0 | 0 | 0 | 108.2 | D3 D7 | D3-D5 PolarHBondContact O-N 3.41Å; D5-D7 PolarHBondContact O-N 2.87Å | ||
| 6 | V | 51.7 | Low | 49.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | trans | -84.7 | 91.2 | 172.5 | -85.1 | 0 | 0 | 0 | 0 | 107.5 | A4 F8 | A4-V6 VanDerWaalsContact C-N 3.33Å; A4-V6 PolarHBondContact O-N 2.93Å; V6-F8 VanDerWaalsContact C-N 3.27Å; V6-F8 HydrophobicContact CB-CD2 4.11Å; V6-F8 HydrophobicContact CB-CE2 3.94Å; V6-F8 HydrophobicContact CG2-CD2 4.16Å; V6-F8 HydrophobicContact CG2-CE2 3.85Å; V6-F8 WeakPolarHBondContact O-CD2 3.14Å; V6-F8 PolarHBondContact O-N 3.32Å | ||
| 7 | D | 45.8 | Very low | 52 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | -62.6 | 88.7 | 167.4 | -166.5 | -124.3 | 0 | 0 | 0 | 108.5 | D5 Q9 | D5-D7 PolarHBondContact O-N 2.87Å; D7-Q9 PolarHBondContact O-N 2.93Å; D7-Q9 WeakPolarHBondContact OD1-CG 3.49Å; D7-Q9 PolarHBondContact OD1-NE2 2.75Å | ||
| 8 | F | 50.1 | Low | 54.3 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -71.6 | 85.3 | 168.2 | -83.8 | -89.7 | 0 | 0 | 0 | 107.8 | V6 T10 | V6-F8 VanDerWaalsContact C-N 3.27Å; V6-F8 HydrophobicContact CB-CD2 4.11Å; V6-F8 HydrophobicContact CB-CE2 3.94Å; V6-F8 HydrophobicContact CG2-CD2 4.16Å; V6-F8 HydrophobicContact CG2-CE2 3.85Å; V6-F8 WeakPolarHBondContact O-CD2 3.14Å; V6-F8 PolarHBondContact O-N 3.32Å; F8-T10 VanDerWaalsContact C-N 3.32Å; F8-T10 PolarHBondContact O-N 3.22Å | ||
| 9 | Q | 45.1 | Very low | 56.3 | Low | 164 Ų | 164 | 111.8 Ų | 111.8 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -64.9 | 98.4 | 161.8 | -66 | -175.9 | -20.9 | 0 | 0 | 107.3 | D7 G11 | D7-Q9 PolarHBondContact O-N 2.93Å; D7-Q9 WeakPolarHBondContact OD1-CG 3.49Å; D7-Q9 PolarHBondContact OD1-NE2 2.75Å; Q9-G11 VanDerWaalsContact C-N 3.25Å; Q9-G11 PolarHBondContact O-N 2.83Å | ||
| 10 | T | 47.8 | Very low | 58.2 | Low | 142 Ų | 142 | 110.8 Ų | 110.8 | 87% | 0.871 | 68% | 0.682 | S | S | * | * | trans | -58.2 | 96 | 165.4 | -14.3 | 0 | 0 | 0 | 0 | 106.6 | F8 D12 | F8-T10 VanDerWaalsContact C-N 3.32Å; F8-T10 PolarHBondContact O-N 3.22Å; T10-D12 PolarHBondContact O-N 2.82Å | ||
| 11 | G | 41.4 | Very low | 59.9 | Low | 67 Ų | 67 | 108.4 Ų | 108.4 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -64.7 | 101.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q9 A13 | Q9-G11 VanDerWaalsContact C-N 3.25Å; Q9-G11 PolarHBondContact O-N 2.83Å; G11-A13 PolarHBondContact O-N 2.95Å | ||
| 12 | D | 47.2 | Very low | 62 | Low | 155 Ų | 155 | 100.3 Ų | 100.3 | 83% | 0.829 | 62% | 0.622 | S | S | * | * | trans | -60.7 | 95.1 | 158 | -164.2 | -97.4 | 0 | 0 | 0 | 105.7 | T10 G14 | T10-D12 PolarHBondContact O-N 2.82Å; D12-G14 VanDerWaalsContact C-N 3.31Å; D12-G14 PolarHBondContact O-N 2.84Å | ||
| 13 | A | 48.4 | Very low | 64.3 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 76% | 0.76 | 58% | 0.582 | S | S | * | * | trans | -61.8 | 98.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 107 | G11 A15 | G11-A13 PolarHBondContact O-N 2.95Å; A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3Å | ||
| 14 | G | 48.4 | Very low | 66.4 | Low | 72 Ų | 72 | 90.2 Ų | 90.2 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | trans | -56.2 | 79 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D12 S16 | D12-G14 VanDerWaalsContact C-N 3.31Å; D12-G14 PolarHBondContact O-N 2.84Å; G14-S16 PolarHBondContact O-N 2.92Å; G14-S16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | A | 58.2 | Low | 68.5 | Low | 72 Ų | 72 | 88.2 Ų | 88.2 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | trans | -63.9 | 112.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | A13 A17 | A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3Å; A15-A17 PolarHBondContact O-N 3.33Å | ||
| 16 | S | 75.6 | Confident | 70.7 | Confident | 80 Ų | 80 | 81.6 Ų | 81.6 | 56% | 0.559 | 51% | 0.506 | S | S | * | . | trans | -47.3 | 130.8 | 176 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | G14 T18 N84 | G14-S16 PolarHBondContact O-N 2.92Å; G14-S16 VanDerWaalsContact O-N 3.12Å; S16-T18 VanDerWaalsContact CB-O 3.28Å; S16-T18 WeakPolarHBondContact CB-O 3.49Å; S16-T18 PolarHBondContact O-N 3.37Å; S16-T18 PolarHBondContact OG-O 2.82Å; S16-N84 PolarHBondContact O-ND2 2.89Å | ||
| 17 | A | 85.9 | Confident | 72.7 | Confident | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -57.3 | -24.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A15 N84 M142 | A15-A17 PolarHBondContact O-N 3.33Å; A17-N84 PolarHBondContact O-N 2.94Å; A17-M142 HydrophobicContact CB-CG 4.47Å |
| 18 | T | 92.7 | Very high | 74.9 | Confident | 25 Ų | 25 | 85 Ų | 85 | 15% | 0.153 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 162.6 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 111 | S16 V33 D81 V82 M142 | S16-T18 VanDerWaalsContact CB-O 3.28Å; S16-T18 WeakPolarHBondContact CB-O 3.49Å; S16-T18 PolarHBondContact O-N 3.37Å; S16-T18 PolarHBondContact OG-O 2.82Å; T18-V33 HydrophobicContact CG2-CG2 3.73Å; T18-D81 HydrophobicContact CG2-CB 4.24Å; T18-D81 PolarHBondContact OG1-OD1 2.9Å; T18-V82 CarbonylContact C-O 3.55Å; T18-V82 WeakPolarHBondContact CA-O 3.49Å; T18-V82 WeakPolarHBondContact CB-O 3.17Å; T18-M142 HydrophobicContact CG2-CE 3.84Å; T18-M142 HydrophobicContact CG2-CG 4.1Å; T18-M142 HydrophobicContact CG2-SD 3.98Å |
| 19 | F | 92.8 | Very high | 77 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.9 | 166.1 | 62.3 | -86.4 | 0 | 0 | 0 | 110.4 | Q21 V82 N84 | F19-Q21 HydrophobicContact CE2-CB 4.33Å; F19-V82 HydrophobicContact CD1-CB 4.26Å; F19-V82 HydrophobicContact CD1-CG1 4.43Å; F19-V82 WeakPolarHBondContact CD1-O 3.36Å; F19-V82 HydrophobicContact CD2-CB 4.14Å; F19-V82 HydrophobicContact CE1-CB 3.85Å; F19-V82 HydrophobicContact CE1-CG1 3.57Å; F19-V82 HydrophobicContact CE2-CB 3.72Å; F19-V82 HydrophobicContact CE2-CG1 3.9Å; F19-V82 HydrophobicContact CE2-CG2 4.24Å; F19-V82 HydrophobicContact CG-CB 4.41Å; F19-V82 HydrophobicContact CZ-CB 3.57Å; F19-V82 HydrophobicContact CZ-CG1 3.27Å; F19-V82 HydrophobicContact CZ-CG2 4.43Å; F19-V82 PolarHBondContact N-O 2.85Å; F19-V82 PolarHBondContact O-N 2.73Å; F19-N84 VanDerWaalsContact CD1-OD1 3.3Å; F19-N84 WeakPolarHBondContact CD1-OD1 3.38Å; F19-N84 WeakPolarHBondContact CE1-OD1 3.49Å |
| 20 | P | 94.8 | Very high | 79.3 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 59% | 0.591 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.9 | 178 | 29.7 | -33.8 | 0 | 0 | 0 | 110.9 | N79 | P20-N79 HydrophobicContact CB-CB 4.31Å |
| 21 | Q | 94.4 | Very high | 81.6 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.2 | 171.9 | -173.7 | 169.8 | -5.4 | 0 | 0 | 110.7 | F19 C23 A25 L26 N79 M80 V82 | F19-Q21 HydrophobicContact CE2-CB 4.33Å; Q21-C23 PolarHBondContact O-N 2.87Å; Q21-A25 HydrophobicContact CG-CB 4Å; Q21-A25 PolarHBondContact NE2-O 3.44Å; Q21-L26 HydrophobicContact CG-CD2 4.43Å; Q21-N79 WeakPolarHBondContact O-CA 3.12Å; Q21-M80 PolarHBondContact N-O 2.94Å; Q21-M80 PolarHBondContact O-N 3.34Å; Q21-V82 HydrophobicContact CB-CG2 3.62Å |
| 22 | Q | 94.4 | Very high | 84.3 | Confident | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 134.4 | 178.7 | -167.6 | 176.5 | 41.3 | 0 | 0 | 111.3 | S24 A25 L26 S76 N79 | Q22-S24 VanDerWaalsContact CD-OG 3.28Å; Q22-S24 WeakPolarHBondContact CG-OG 3.49Å; Q22-S24 PolarHBondContact O-N 2.86Å; Q22-S24 VanDerWaalsContact O-N 3.14Å; Q22-S24 PolarHBondContact OE1-OG 3.06Å; Q22-S24 VanDerWaalsContact OE1-OG 3.13Å; Q22-A25 HydrophobicContact CB-CB 4.42Å; Q22-A25 WeakPolarHBondContact O-CA 3.41Å; Q22-A25 WeakPolarHBondContact O-CB 3.49Å; Q22-A25 PolarHBondContact O-N 2.78Å; Q22-L26 PolarHBondContact O-N 2.81Å; Q22-S76 WeakPolarHBondContact CG-O 3.21Å; Q22-N79 PolarHBondContact N-OD1 3.24Å |
| 23 | C | 91.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -53.2 | -36.2 | -178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | Q21 A25 L26 M44 V57 C74 H78 M80 | Q21-C23 PolarHBondContact O-N 2.87Å; C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.39Å; C23-L26 WeakPolarHBondContact O-CB 3.36Å; C23-L26 PolarHBondContact O-N 2.95Å; C23-M44 VanDerWaalsContact O-CE 3.3Å; C23-M44 WeakPolarHBondContact O-CE 3.43Å; C23-V57 VanDerWaalsContact SG-CB 3.55Å; C23-C74 HydrophobicContact CB-CB 4.18Å; C23-C74 WeakPolarHBondContact CB-SG 3.48Å; C23-C74 WeakPolarHBondContact SG-CB 3.36Å; C23-C74 CovalentContact SG-SG 2.08Å; C23-C74 PolarHBondContact SG-SG 2.84Å; C23-H78 VanDerWaalsContact CB-O 3.25Å; C23-H78 WeakPolarHBondContact CB-O 3.49Å; C23-H78 PolarHBondContact N-O 3Å; C23-M80 HydrophobicContact CB-CG 3.92Å |
| 24 | S | 90.4 | Very high | 88.8 | Confident | 51 Ų | 51 | 56.1 Ų | 56.1 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -70.2 | -19.6 | 173.7 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | Q22 R27 S76 | Q22-S24 VanDerWaalsContact CD-OG 3.28Å; Q22-S24 WeakPolarHBondContact CG-OG 3.49Å; Q22-S24 PolarHBondContact O-N 2.86Å; Q22-S24 VanDerWaalsContact O-N 3.14Å; Q22-S24 PolarHBondContact OE1-OG 3.06Å; Q22-S24 VanDerWaalsContact OE1-OG 3.13Å; S24-R27 PolarHBondContact O-NH1 2.84Å; S24-S76 WeakPolarHBondContact CB-O 3.28Å; S24-S76 PolarHBondContact N-O 2.86Å; S24-S76 PolarHBondContact OG-O 2.75Å |
| 25 | A | 93.3 | Very high | 90.9 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -86.1 | -15.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q21 Q22 C23 R27 | Q21-A25 HydrophobicContact CG-CB 4Å; Q21-A25 PolarHBondContact NE2-O 3.44Å; Q22-A25 HydrophobicContact CB-CB 4.42Å; Q22-A25 WeakPolarHBondContact O-CA 3.41Å; Q22-A25 WeakPolarHBondContact O-CB 3.49Å; Q22-A25 PolarHBondContact O-N 2.78Å; C23-A25 VanDerWaalsContact C-N 3.33Å; C23-A25 PolarHBondContact O-N 3.39Å; A25-R27 PolarHBondContact O-NH1 3.48Å |
| 26 | L | 94.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -63.7 | 153.5 | 173.5 | -62.2 | 175.8 | 0 | 0 | 0 | 111.2 | Q21 Q22 C23 V32 I41 M44 M59 M80 V82 | Q21-L26 HydrophobicContact CG-CD2 4.43Å; Q22-L26 PolarHBondContact O-N 2.81Å; C23-L26 WeakPolarHBondContact O-CB 3.36Å; C23-L26 PolarHBondContact O-N 2.95Å; L26-V32 HydrophobicContact CD1-CB 4.18Å; L26-V32 HydrophobicContact CD1-CG2 3.78Å; L26-I41 HydrophobicContact CB-CD1 4.02Å; L26-I41 HydrophobicContact CD1-CD1 4.39Å; L26-I41 HydrophobicContact CD2-CD1 4.49Å; L26-M44 HydrophobicContact CB-CE 3.92Å; L26-M44 HydrophobicContact CB-SD 4.47Å; L26-M44 WeakPolarHBondContact O-CE 3.41Å; L26-M59 HydrophobicContact CB-SD 4.43Å; L26-M59 HydrophobicContact CD1-CE 3.96Å; L26-M59 HydrophobicContact CD1-SD 3.53Å; L26-M59 VanDerWaalsContact CD1-SD 3.53Å; L26-M80 HydrophobicContact CD1-CB 4.18Å; L26-M80 HydrophobicContact CD1-CG 4.26Å; L26-V82 HydrophobicContact CD2-CG2 3.71Å | ||
| 27 | R | 93.4 | Very high | 93.4 | Very high | 158 Ų | 158 | 58.4 Ų | 58.4 | 60% | 0.596 | 31% | 0.311 | S | S | * | . | trans | -139 | 153.7 | -177.3 | -63.3 | -66.9 | -179.1 | -92.1 | 1 | 110.1 | S24 A25 G30 | S24-R27 PolarHBondContact O-NH1 2.84Å; A25-R27 PolarHBondContact O-NH1 3.48Å; R27-G30 WeakPolarHBondContact O-CA 3.38Å; R27-G30 PolarHBondContact O-N 3Å | ||
| 28 | K | 92.9 | Very high | 93.8 | Very high | 136 Ų | 136 | 56.8 Ų | 56.8 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 142.2 | 169.1 | -176.2 | 172.7 | 176 | 167.4 | 0 | 109.9 | G30 V42 | K28-G30 PolarHBondContact O-N 3.28Å; K28-V42 WeakPolarHBondContact CE-O 3.18Å |
| 29 | N | 93.4 | Very high | 94 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 0 | -169.2 | -60.4 | -66.3 | 0 | 0 | 0 | 115.9 | K40 I41 | N29-K40 WeakPolarHBondContact OD1-CE 3.37Å; N29-I41 WeakPolarHBondContact CA-O 3.29Å; N29-I41 PolarHBondContact N-O 2.79Å |
| 30 | G | 95 | Very high | 94.2 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | trans | -74.2 | -179.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R27 K28 K40 I41 | R27-G30 WeakPolarHBondContact O-CA 3.38Å; R27-G30 PolarHBondContact O-N 3Å; K28-G30 PolarHBondContact O-N 3.28Å; G30-K40 WeakPolarHBondContact O-CA 3.42Å; G30-I41 PolarHBondContact O-N 3.21Å | ||
| 31 | F | 96.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.6 | 177 | -57.8 | -81.4 | 0 | 0 | 0 | 110.7 | C39 K40 I64 V82 P83 I85 | F31-C39 CarbonylContact C-O 3.52Å; F31-C39 VanDerWaalsContact CA-O 3.29Å; F31-C39 WeakPolarHBondContact CA-O 3.16Å; F31-K40 HydrophobicContact CD1-CB 4.14Å; F31-K40 HydrophobicContact CE1-CB 4.03Å; F31-K40 HydrophobicContact CE1-CG 4.24Å; F31-I64 HydrophobicContact CD1-CG2 4.21Å; F31-I64 HydrophobicContact CE1-CG2 4.05Å; F31-V82 WeakPolarHBondContact O-CG1 3.2Å; F31-P83 HydrophobicContact CB-CG 3.9Å; F31-I85 HydrophobicContact CB-CG1 4.37Å; F31-I85 HydrophobicContact CD1-CD1 4.41Å; F31-I85 HydrophobicContact CD1-CG1 4.08Å; F31-I85 HydrophobicContact CD2-CG1 3.93Å; F31-I85 HydrophobicContact CE1-CG1 4.36Å; F31-I85 HydrophobicContact CE2-CG1 4.23Å; F31-I85 HydrophobicContact CG-CG1 3.86Å; F31-I85 HydrophobicContact CZ-CG1 4.43Å |
| 32 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 149.7 | 175.7 | 64.2 | 0 | 0 | 0 | 0 | 108.7 | L26 L34 C39 I41 M80 D81 | L26-V32 HydrophobicContact CD1-CB 4.18Å; L26-V32 HydrophobicContact CD1-CG2 3.78Å; V32-L34 HydrophobicContact CG1-CD1 4.32Å; V32-L34 HydrophobicContact CG1-CD2 3.86Å; V32-L34 HydrophobicContact CG1-CG 3.88Å; V32-L34 HydrophobicContact CG2-CD2 4.37Å; V32-C39 PolarHBondContact N-O 3.4Å; V32-C39 PolarHBondContact O-N 2.77Å; V32-I41 HydrophobicContact CB-CD1 4.12Å; V32-I41 HydrophobicContact CB-CG1 4.29Å; V32-I41 HydrophobicContact CG1-CD1 3.8Å; V32-I41 HydrophobicContact CG1-CG1 3.51Å; V32-M80 HydrophobicContact CG2-CB 3.95Å; V32-M80 HydrophobicContact CG2-CE 4.34Å; V32-D81 WeakPolarHBondContact CG2-O 3.34Å |
| 33 | V | 95.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.4 | 172.2 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | T18 R37 D81 P83 M142 | T18-V33 HydrophobicContact CG2-CG2 3.73Å; V33-R37 WeakPolarHBondContact CA-O 3.46Å; V33-D81 HydrophobicContact CB-CB 3.92Å; V33-D81 HydrophobicContact CG2-CB 3.82Å; V33-D81 PolarHBondContact N-O 2.87Å; V33-P83 HydrophobicContact CG2-CB 4.21Å; V33-P83 HydrophobicContact CG2-CG 4.35Å; V33-M142 HydrophobicContact CB-SD 4.44Å; V33-M142 HydrophobicContact CG1-CE 4.02Å; V33-M142 HydrophobicContact CG1-SD 4.08Å; V33-M142 HydrophobicContact CG2-CE 4.1Å; V33-M142 HydrophobicContact CG2-SD 3.5Å; V33-M142 VanDerWaalsContact CG2-SD 3.5Å |
| 34 | L | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.8 | 173.6 | -58.8 | 178.7 | 0 | 0 | 0 | 108.5 | V32 G36 R37 C39 M59 D72 M80 | V32-L34 HydrophobicContact CG1-CD1 4.32Å; V32-L34 HydrophobicContact CG1-CD2 3.86Å; V32-L34 HydrophobicContact CG1-CG 3.88Å; V32-L34 HydrophobicContact CG2-CD2 4.37Å; L34-G36 PolarHBondContact O-N 3.43Å; L34-G36 VanDerWaalsContact O-N 3.16Å; L34-R37 PolarHBondContact N-O 3.35Å; L34-R37 PolarHBondContact O-N 3.31Å; L34-C39 HydrophobicContact CD1-CB 4.1Å; L34-C39 HydrophobicContact CG-CB 4.22Å; L34-M59 HydrophobicContact CD2-CE 4.43Å; L34-D72 HydrophobicContact CD2-CB 3.94Å; L34-M80 HydrophobicContact CD2-CE 4.41Å |
| 35 | K | 92.3 | Very high | 94.7 | Very high | 149 Ų | 149 | 54.3 Ų | 54.3 | 65% | 0.648 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.9 | 179.9 | -54.2 | -174.4 | -174.3 | 174.9 | 0 | 113 | R37 Y70 | K35-R37 VanDerWaalsContact C-N 3.31Å; K35-R37 PolarHBondContact O-N 2.93Å; K35-Y70 HydrophobicContact CB-CD1 4.47Å; K35-Y70 HydrophobicContact CD-CD1 4.15Å |
| 36 | G | 91.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 57 Ų | 57 | 57% | 0.567 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 6.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L34 | L34-G36 PolarHBondContact O-N 3.43Å; L34-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | R | 94.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 25% | 0.253 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.6 | -179.2 | -61.1 | -67.1 | -62.7 | -163.7 | 12.6 | 111.4 | V33 L34 K35 C39 D63 N66 Y70 E144 | V33-R37 WeakPolarHBondContact CA-O 3.46Å; L34-R37 PolarHBondContact N-O 3.35Å; L34-R37 PolarHBondContact O-N 3.31Å; K35-R37 VanDerWaalsContact C-N 3.31Å; K35-R37 PolarHBondContact O-N 2.93Å; R37-C39 PolarHBondContact O-N 3.4Å; R37-C39 PolarHBondContact O-SG 2.92Å; R37-D63 IonicContact CZ-OD2 3.57Å; R37-D63 IonicContact NE-OD2 3.68Å; R37-D63 PolarHBondContact NE-OD2 3.38Å; R37-D63 IonicContact NH2-OD1 3.24Å; R37-D63 PolarHBondContact NH2-OD1 2.72Å; R37-D63 IonicContact NH2-OD2 3.48Å; R37-D63 PolarHBondContact NH2-OD2 2.89Å; R37-N66 VanDerWaalsContact CZ-ND2 3.34Å; R37-N66 PolarHBondContact NH2-ND2 3.05Å; R37-Y70 HydrophobicContact CB-CE2 4.25Å; R37-Y70 HydrophobicContact CG-CE2 4.23Å; R37-E144 IonicContact CZ-OE2 2.73Å; R37-E144 IonicContact NH2-OE1 2.63Å; R37-E144 IonicContact NH2-OE2 2.69Å; R37-E144 PolarHBondContact NH2-OE2 2.98Å |
| 38 | P | 96 | Very high | 94.1 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 116.6 | 175.6 | 28.9 | -32.4 | 0 | 0 | 0 | 110.2 | I64 F65 P83 A141 M142 | P38-I64 HydrophobicContact CB-CD1 3.91Å; P38-I64 HydrophobicContact CB-CG1 4.34Å; P38-I64 HydrophobicContact CG-CD1 4.13Å; P38-I64 HydrophobicContact CG-CG1 4.2Å; P38-I64 PolarHBondContact O-N 2.9Å; P38-F65 HydrophobicContact CG-CD2 3.94Å; P38-F65 HydrophobicContact CG-CE2 3.69Å; P38-P83 HydrophobicContact CB-CB 3.93Å; P38-P83 HydrophobicContact CB-CG 3.91Å; P38-A141 HydrophobicContact CB-CB 4.25Å; P38-A141 HydrophobicContact CG-CB 4.29Å; P38-M142 HydrophobicContact CB-CG 4.48Å; P38-M142 HydrophobicContact CB-SD 4.02Å; P38-M142 HydrophobicContact CG-SD 4.31Å |
| 39 | C | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.5 | -174.6 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | F31 V32 L34 R37 I62 | F31-C39 CarbonylContact C-O 3.52Å; F31-C39 VanDerWaalsContact CA-O 3.29Å; F31-C39 WeakPolarHBondContact CA-O 3.16Å; V32-C39 PolarHBondContact N-O 3.4Å; V32-C39 PolarHBondContact O-N 2.77Å; L34-C39 HydrophobicContact CD1-CB 4.1Å; L34-C39 HydrophobicContact CG-CB 4.22Å; R37-C39 PolarHBondContact O-N 3.4Å; R37-C39 PolarHBondContact O-SG 2.92Å; C39-I62 CarbonylContact C-O 3.57Å; C39-I62 VanDerWaalsContact CA-O 3.31Å; C39-I62 WeakPolarHBondContact CA-O 3.34Å |
| 40 | K | 96.4 | Very high | 93.1 | Very high | 84 Ų | 84 | 55.3 Ų | 55.3 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.3 | 165.6 | -176.4 | -178.6 | 178 | -176.4 | 0 | 109.6 | N29 G30 F31 V42 G61 I62 I64 | N29-K40 WeakPolarHBondContact OD1-CE 3.37Å; G30-K40 WeakPolarHBondContact O-CA 3.42Å; F31-K40 HydrophobicContact CD1-CB 4.14Å; F31-K40 HydrophobicContact CE1-CB 4.03Å; F31-K40 HydrophobicContact CE1-CG 4.24Å; K40-V42 PolarHBondContact O-N 2.94Å; K40-G61 CarbonylContact O-C 3.58Å; K40-G61 WeakPolarHBondContact O-CA 3.46Å; K40-I62 PolarHBondContact N-O 3.22Å; K40-I62 PolarHBondContact O-N 3.45Å; K40-I64 HydrophobicContact CB-CG2 4.06Å |
| 41 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 113.3 | -179.8 | -57.1 | 170.2 | 0 | 0 | 0 | 109.5 | L26 N29 G30 V32 E43 M44 M59 | L26-I41 HydrophobicContact CB-CD1 4.02Å; L26-I41 HydrophobicContact CD1-CD1 4.39Å; L26-I41 HydrophobicContact CD2-CD1 4.49Å; N29-I41 WeakPolarHBondContact CA-O 3.29Å; N29-I41 PolarHBondContact N-O 2.79Å; G30-I41 PolarHBondContact O-N 3.21Å; V32-I41 HydrophobicContact CB-CD1 4.12Å; V32-I41 HydrophobicContact CB-CG1 4.29Å; V32-I41 HydrophobicContact CG1-CD1 3.8Å; V32-I41 HydrophobicContact CG1-CG1 3.51Å; I41-E43 WeakPolarHBondContact CG2-O 3.48Å; I41-M44 HydrophobicContact CG2-CB 4.18Å; I41-M59 HydrophobicContact CD1-SD 4.46Å |
| 42 | V | 97.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -28.3 | 177.1 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | K28 K40 V60 I62 | K28-V42 WeakPolarHBondContact CE-O 3.18Å; K40-V42 PolarHBondContact O-N 2.94Å; V42-V60 HydrophobicContact CG2-CB 4.28Å; V42-V60 HydrophobicContact CG2-CG1 3.84Å; V42-V60 VanDerWaalsContact CG2-O 3.3Å; V42-V60 WeakPolarHBondContact CG2-O 3.49Å; V42-V60 PolarHBondContact N-O 3.01Å; V42-I62 HydrophobicContact CG1-CB 4.34Å; V42-I62 HydrophobicContact CG1-CD1 3.71Å; V42-I62 HydrophobicContact CG1-CG1 3.79Å; V42-I62 HydrophobicContact CG2-CD1 4.27Å; V42-I62 HydrophobicContact CG2-CG1 3.97Å |
| 43 | E | 94.9 | Very high | 91.1 | Very high | 99 Ų | 99 | 70.4 Ų | 70.4 | 46% | 0.463 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.5 | 177.3 | -154 | -176.4 | 123.5 | 0 | 0 | 110.5 | I41 V60 | I41-E43 WeakPolarHBondContact CG2-O 3.48Å; E43-V60 HydrophobicContact CB-CB 3.79Å; E43-V60 HydrophobicContact CB-CG2 4.08Å; E43-V60 PolarHBondContact N-O 3.5Å; E43-V60 VanDerWaalsContact N-O 3.14Å; E43-V60 PolarHBondContact O-N 2.97Å |
| 44 | M | 93.9 | Very high | 90.5 | Very high | 52 Ų | 52 | 76 Ų | 76 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 124.6 | 177.1 | -174.5 | 179.9 | -168.6 | 0 | 0 | 108.2 | C23 L26 I41 V57 H58 M59 | C23-M44 VanDerWaalsContact O-CE 3.3Å; C23-M44 WeakPolarHBondContact O-CE 3.43Å; L26-M44 HydrophobicContact CB-CE 3.92Å; L26-M44 HydrophobicContact CB-SD 4.47Å; L26-M44 WeakPolarHBondContact O-CE 3.41Å; I41-M44 HydrophobicContact CG2-CB 4.18Å; M44-V57 HydrophobicContact CE-CG1 3.45Å; M44-V57 VanDerWaalsContact CE-CG1 3.45Å; M44-V57 HydrophobicContact CE-CG2 4.48Å; M44-V57 HydrophobicContact CG-CG1 3.68Å; M44-V57 HydrophobicContact SD-CG1 4.43Å; M44-H58 WeakPolarHBondContact CA-O 3.34Å; M44-M59 HydrophobicContact CE-SD 4.35Å; M44-M59 HydrophobicContact CG-CG 4.09Å |
| 45 | S | 92.9 | Very high | 90.3 | Very high | 52 Ų | 52 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.6 | 179 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | V57 H58 | S45-V57 CarbonylContact O-C 3.52Å; S45-V57 WeakPolarHBondContact O-CA 3.44Å; S45-H58 PolarHBondContact N-O 3.26Å; S45-H58 PolarHBondContact O-N 2.95Å |
| 46 | T | 91.1 | Very high | 90.3 | Very high | 94 Ų | 94 | 74.2 Ų | 74.2 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.7 | -179.4 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | A55 K56 V57 | T46-A55 HydrophobicContact CG2-CB 3.81Å; T46-K56 CarbonylContact C-O 3.57Å; T46-K56 WeakPolarHBondContact CA-O 3.4Å; T46-V57 HydrophobicContact CG2-CG2 4.44Å |
| 47 | S | 90.1 | Very high | 90.4 | Very high | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.7 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | A55 K56 | S47-A55 CarbonylContact O-C 3.59Å; S47-A55 VanDerWaalsContact O-CA 3.3Å; S47-A55 WeakPolarHBondContact O-CA 3.43Å; S47-K56 PolarHBondContact N-O 3.38Å; S47-K56 PolarHBondContact O-N 3.45Å; S47-K56 PolarHBondContact OG-O 3.46Å |
| 48 | K | 87.3 | Confident | 90.5 | Very high | 175 Ų | 175 | 71 Ų | 71 | 76% | 0.761 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.9 | 170.9 | -70.6 | -172.6 | 179.4 | -177.6 | 0 | 109.3 | G50 | K48-G50 VanDerWaalsContact C-N 3.31Å; K48-G50 PolarHBondContact O-N 2.69Å; K48-G50 VanDerWaalsContact O-N 3.11Å |
| 49 | T | 82.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | trans | -87.2 | 69.3 | 176.8 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | G53 H54 K56 | T49-G53 VanDerWaalsContact O-CA 3.25Å; T49-G53 WeakPolarHBondContact O-CA 3.46Å; T49-G53 PolarHBondContact O-N 3.12Å; T49-H54 PolarHBondContact OG1-O 2.8Å; T49-H54 VanDerWaalsContact OG1-O 3.05Å; T49-K56 HydrophobicContact CG2-CD 3.71Å; T49-K56 HydrophobicContact CG2-CG 4.17Å | ||
| 50 | G | 83.5 | Confident | 90.4 | Very high | 53 Ų | 53 | 71 Ų | 71 | 55% | 0.546 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 82.8 | -167.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K48 H52 | K48-G50 VanDerWaalsContact C-N 3.31Å; K48-G50 PolarHBondContact O-N 2.69Å; K48-G50 VanDerWaalsContact O-N 3.11Å; G50-H52 PolarHBondContact O-N 3.37Å |
| 51 | K | 80.8 | Confident | 90.4 | Very high | 196 Ų | 196 | 67 Ų | 67 | 85% | 0.852 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.7 | -36.2 | -170.8 | -171.4 | 179.4 | 179.3 | -176.6 | 0 | 114 | ||
| 52 | H | 85.8 | Confident | 90.4 | Very high | 169 Ų | 169 | 70.1 Ų | 70.1 | 78% | 0.782 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -117 | 2.1 | -177.6 | -61.7 | -73.8 | 0 | 0 | 0 | 113.4 | G50 | G50-H52 PolarHBondContact O-N 3.37Š|
| 53 | G | 78.2 | Confident | 90.3 | Very high | 28 Ų | 28 | 67.8 Ų | 67.8 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -76 | 147.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T49 | T49-G53 VanDerWaalsContact O-CA 3.25Å; T49-G53 WeakPolarHBondContact O-CA 3.46Å; T49-G53 PolarHBondContact O-N 3.12Å |
| 54 | H | 84.2 | Confident | 90.2 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.625 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 147.8 | 171.6 | -65.2 | -86 | 0 | 0 | 0 | 110.4 | T49 | T49-H54 PolarHBondContact OG1-O 2.8Å; T49-H54 VanDerWaalsContact OG1-O 3.05Å |
| 55 | A | 90.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 135.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T46 S47 S76 | T46-A55 HydrophobicContact CG2-CB 3.81Å; S47-A55 CarbonylContact O-C 3.59Å; S47-A55 VanDerWaalsContact O-CA 3.3Å; S47-A55 WeakPolarHBondContact O-CA 3.43Å; A55-S76 WeakPolarHBondContact O-CB 3.43Å; A55-S76 PolarHBondContact O-N 2.83Å; A55-S76 PolarHBondContact O-OG 2.78Å |
| 56 | K | 91.9 | Very high | 89.9 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.3 | 172.1 | -65 | -175.1 | 178.4 | -178.6 | 0 | 108.1 | T46 S47 T49 I73 | T46-K56 CarbonylContact C-O 3.57Å; T46-K56 WeakPolarHBondContact CA-O 3.4Å; S47-K56 PolarHBondContact N-O 3.38Å; S47-K56 PolarHBondContact O-N 3.45Å; S47-K56 PolarHBondContact OG-O 3.46Å; T49-K56 HydrophobicContact CG2-CD 3.71Å; T49-K56 HydrophobicContact CG2-CG 4.17Å; K56-I73 HydrophobicContact CB-CG2 4.11Å; K56-I73 HydrophobicContact CD-CG2 4.42Å |
| 57 | V | 94.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.3 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | C23 M44 S45 T46 M59 I73 C74 | C23-V57 VanDerWaalsContact SG-CB 3.55Å; M44-V57 HydrophobicContact CE-CG1 3.45Å; M44-V57 VanDerWaalsContact CE-CG1 3.45Å; M44-V57 HydrophobicContact CE-CG2 4.48Å; M44-V57 HydrophobicContact CG-CG1 3.68Å; M44-V57 HydrophobicContact SD-CG1 4.43Å; S45-V57 CarbonylContact O-C 3.52Å; S45-V57 WeakPolarHBondContact O-CA 3.44Å; T46-V57 HydrophobicContact CG2-CG2 4.44Å; V57-M59 HydrophobicContact CG1-CG 3.62Å; V57-M59 HydrophobicContact CG1-SD 4.22Å; V57-I73 CarbonylContact O-C 3.58Å; V57-I73 VanDerWaalsContact O-CA 3.31Å; V57-I73 WeakPolarHBondContact O-CA 3.41Å; V57-C74 PolarHBondContact N-O 2.83Å; V57-C74 PolarHBondContact O-N 2.88Å |
| 58 | H | 94.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 65.9 Ų | 65.9 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.1 | 166.3 | 172.1 | -118.9 | 0 | 0 | 0 | 108.3 | M44 S45 I73 | M44-H58 WeakPolarHBondContact CA-O 3.34Å; S45-H58 PolarHBondContact N-O 3.26Å; S45-H58 PolarHBondContact O-N 2.95Å; H58-I73 HydrophobicContact CB-CG1 4.08Å |
| 59 | M | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.6 | -178.7 | -63.6 | -177.2 | -60.2 | 0 | 0 | 110.1 | L26 L34 I41 M44 V57 E71 D72 C74 M80 | L26-M59 HydrophobicContact CB-SD 4.43Å; L26-M59 HydrophobicContact CD1-CE 3.96Å; L26-M59 HydrophobicContact CD1-SD 3.53Å; L26-M59 VanDerWaalsContact CD1-SD 3.53Å; L34-M59 HydrophobicContact CD2-CE 4.43Å; I41-M59 HydrophobicContact CD1-SD 4.46Å; M44-M59 HydrophobicContact CE-SD 4.35Å; M44-M59 HydrophobicContact CG-CG 4.09Å; V57-M59 HydrophobicContact CG1-CG 3.62Å; V57-M59 HydrophobicContact CG1-SD 4.22Å; M59-E71 VanDerWaalsContact O-CA 3.31Å; M59-E71 WeakPolarHBondContact O-CA 3.46Å; M59-D72 PolarHBondContact N-O 2.96Å; M59-D72 PolarHBondContact O-N 3.12Å; M59-C74 WeakPolarHBondContact CE-SG 3.43Å; M59-M80 HydrophobicContact CE-CE 3.98Å; M59-M80 HydrophobicContact CE-CG 4.45Å |
| 60 | V | 96.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.5 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | V42 E43 K69 Y70 E71 | V42-V60 HydrophobicContact CG2-CB 4.28Å; V42-V60 HydrophobicContact CG2-CG1 3.84Å; V42-V60 VanDerWaalsContact CG2-O 3.3Å; V42-V60 WeakPolarHBondContact CG2-O 3.49Å; V42-V60 PolarHBondContact N-O 3.01Å; E43-V60 HydrophobicContact CB-CB 3.79Å; E43-V60 HydrophobicContact CB-CG2 4.08Å; E43-V60 PolarHBondContact N-O 3.5Å; E43-V60 VanDerWaalsContact N-O 3.14Å; E43-V60 PolarHBondContact O-N 2.97Å; V60-K69 HydrophobicContact CG1-CD 4.06Å; V60-K69 HydrophobicContact CG1-CG 3.83Å; V60-Y70 WeakPolarHBondContact CA-O 3.41Å; V60-E71 HydrophobicContact CG2-CB 4.3Å |
| 61 | G | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 154.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K40 K69 Y70 | K40-G61 CarbonylContact O-C 3.58Å; K40-G61 WeakPolarHBondContact O-CA 3.46Å; G61-K69 WeakPolarHBondContact O-CA 3.42Å; G61-Y70 PolarHBondContact N-O 3.38Å; G61-Y70 PolarHBondContact O-N 3.05Å; G61-Y70 VanDerWaalsContact O-O 3.08Å |
| 62 | I | 96.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.5 | 166.6 | -61.3 | -178.5 | 0 | 0 | 0 | 107.1 | C39 K40 V42 I64 G67 | C39-I62 CarbonylContact C-O 3.57Å; C39-I62 VanDerWaalsContact CA-O 3.31Å; C39-I62 WeakPolarHBondContact CA-O 3.34Å; K40-I62 PolarHBondContact N-O 3.22Å; K40-I62 PolarHBondContact O-N 3.45Å; V42-I62 HydrophobicContact CG1-CB 4.34Å; V42-I62 HydrophobicContact CG1-CD1 3.71Å; V42-I62 HydrophobicContact CG1-CG1 3.79Å; V42-I62 HydrophobicContact CG2-CD1 4.27Å; V42-I62 HydrophobicContact CG2-CG1 3.97Å; I62-I64 PolarHBondContact O-N 3.44Å; I62-G67 WeakPolarHBondContact CG2-O 3.34Å |
| 63 | D | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 130.5 | 174.5 | -178.9 | -49.2 | 0 | 0 | 0 | 110.4 | R37 F65 N66 G67 K68 Y70 | R37-D63 IonicContact CZ-OD2 3.57Å; R37-D63 IonicContact NE-OD2 3.68Å; R37-D63 PolarHBondContact NE-OD2 3.38Å; R37-D63 IonicContact NH2-OD1 3.24Å; R37-D63 PolarHBondContact NH2-OD1 2.72Å; R37-D63 IonicContact NH2-OD2 3.48Å; R37-D63 PolarHBondContact NH2-OD2 2.89Å; D63-F65 PolarHBondContact O-N 2.96Å; D63-F65 WeakPolarHBondContact OD1-CA 3.45Å; D63-F65 PolarHBondContact OD1-N 2.73Å; D63-N66 WeakPolarHBondContact CB-OD1 3.39Å; D63-N66 VanDerWaalsContact CG-ND2 3.31Å; D63-N66 PolarHBondContact OD1-N 3.45Å; D63-N66 PolarHBondContact OD2-ND2 3.48Å; D63-N66 PolarHBondContact OD2-OD1 2.67Å; D63-G67 WeakPolarHBondContact O-CA 3.25Å; D63-G67 PolarHBondContact O-N 3.39Å; D63-G67 VanDerWaalsContact O-N 3.09Å; D63-K68 WeakPolarHBondContact CB-O 3.27Å; D63-K68 PolarHBondContact N-O 2.92Å; D63-Y70 HydrophobicContact CB-CD2 4.01Å; D63-Y70 HydrophobicContact CB-CE2 3.69Å |
| 64 | I | 92.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.1 | -171.3 | 66.2 | -174.1 | 0 | 0 | 0 | 113.5 | F31 P38 K40 I62 I85 L139 A141 | F31-I64 HydrophobicContact CD1-CG2 4.21Å; F31-I64 HydrophobicContact CE1-CG2 4.05Å; P38-I64 HydrophobicContact CB-CD1 3.91Å; P38-I64 HydrophobicContact CB-CG1 4.34Å; P38-I64 HydrophobicContact CG-CD1 4.13Å; P38-I64 HydrophobicContact CG-CG1 4.2Å; P38-I64 PolarHBondContact O-N 2.9Å; K40-I64 HydrophobicContact CB-CG2 4.06Å; I62-I64 PolarHBondContact O-N 3.44Å; I64-I85 HydrophobicContact CD1-CD1 3.62Å; I64-L139 HydrophobicContact CD1-CD1 4.47Å; I64-L139 HydrophobicContact CD1-CD2 3.47Å; I64-L139 VanDerWaalsContact CD1-CD2 3.47Å; I64-L139 HydrophobicContact CG1-CD2 4.19Å; I64-A141 HydrophobicContact CD1-CB 3.86Å |
| 65 | F | 90.9 | Very high | 93.8 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 18% | 0.175 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -48.2 | -178.9 | -63.2 | -64.1 | 0 | 0 | 0 | 112.4 | P38 D63 L139 A141 E144 A146 | P38-F65 HydrophobicContact CG-CD2 3.94Å; P38-F65 HydrophobicContact CG-CE2 3.69Å; D63-F65 PolarHBondContact O-N 2.96Å; D63-F65 WeakPolarHBondContact OD1-CA 3.45Å; D63-F65 PolarHBondContact OD1-N 2.73Å; F65-L139 HydrophobicContact CE1-CD2 3.81Å; F65-L139 HydrophobicContact CZ-CD2 3.68Å; F65-A141 HydrophobicContact CE2-CB 3.96Å; F65-A141 HydrophobicContact CZ-CB 3.89Å; F65-E144 WeakPolarHBondContact CB-OE1 3.3Å; F65-E144 HydrophobicContact CD1-CG 4.08Å; F65-E144 HydrophobicContact CD2-CB 4.07Å; F65-E144 HydrophobicContact CD2-CG 3.7Å; F65-E144 VanDerWaalsContact CD2-OE2 3.25Å; F65-E144 WeakPolarHBondContact CD2-OE2 3.47Å; F65-E144 HydrophobicContact CE1-CG 4.1Å; F65-E144 HydrophobicContact CE2-CB 3.62Å; F65-E144 HydrophobicContact CE2-CG 3.71Å; F65-E144 VanDerWaalsContact CG-CD 3.49Å; F65-E144 HydrophobicContact CG-CG 3.88Å; F65-E144 WeakPolarHBondContact CG-OE1 3.42Å; F65-E144 HydrophobicContact CZ-CB 3.87Å; F65-E144 HydrophobicContact CZ-CG 3.92Å; F65-E144 VanDerWaalsContact CZ-O 3.23Å; F65-E144 WeakPolarHBondContact CZ-O 3.41Å; F65-A146 HydrophobicContact CD1-CB 3.59Å; F65-A146 HydrophobicContact CE1-CB 3.83Å |
| 66 | N | 89.4 | Confident | 93.8 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -4.4 | -174.8 | 67.2 | 39 | 0 | 0 | 0 | 114.3 | R37 D63 K68 | R37-N66 VanDerWaalsContact CZ-ND2 3.34Å; R37-N66 PolarHBondContact NH2-ND2 3.05Å; D63-N66 WeakPolarHBondContact CB-OD1 3.39Å; D63-N66 VanDerWaalsContact CG-ND2 3.31Å; D63-N66 PolarHBondContact OD1-N 3.45Å; D63-N66 PolarHBondContact OD2-ND2 3.48Å; D63-N66 PolarHBondContact OD2-OD1 2.67Å; N66-K68 PolarHBondContact O-N 2.97Å; N66-K68 VanDerWaalsContact O-N 3.11Å; N66-K68 WeakPolarHBondContact OD1-CA 3.5Å; N66-K68 WeakPolarHBondContact OD1-CB 3.47Å; N66-K68 VanDerWaalsContact OD1-CG 3.26Å; N66-K68 WeakPolarHBondContact OD1-CG 3.23Å; N66-K68 PolarHBondContact OD1-N 3.47Å |
| 67 | G | 90 | Very high | 93.8 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 55% | 0.546 | 26% | 0.26 | S | S | . | . | trans | 68.1 | 6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | I62 D63 | I62-G67 WeakPolarHBondContact CG2-O 3.34Å; D63-G67 WeakPolarHBondContact O-CA 3.25Å; D63-G67 PolarHBondContact O-N 3.39Å; D63-G67 VanDerWaalsContact O-N 3.09Å | ||
| 68 | K | 94.6 | Very high | 93.8 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | trans | -73 | 142.7 | 177.7 | -64.9 | 176.7 | -180 | 175.8 | 0 | 110.5 | D63 N66 Y70 | D63-K68 WeakPolarHBondContact CB-O 3.27Å; D63-K68 PolarHBondContact N-O 2.92Å; N66-K68 PolarHBondContact O-N 2.97Å; N66-K68 VanDerWaalsContact O-N 3.11Å; N66-K68 WeakPolarHBondContact OD1-CA 3.5Å; N66-K68 WeakPolarHBondContact OD1-CB 3.47Å; N66-K68 VanDerWaalsContact OD1-CG 3.26Å; N66-K68 WeakPolarHBondContact OD1-CG 3.23Å; N66-K68 PolarHBondContact OD1-N 3.47Å; K68-Y70 HydrophobicContact CB-CE2 3.84Å; K68-Y70 WeakPolarHBondContact O-CD2 3.43Å | ||
| 69 | K | 96.6 | Very high | 93.7 | Very high | 137 Ų | 137 | 57.3 Ų | 57.3 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.3 | 177.8 | -168.5 | -177.8 | -178.2 | -173.4 | 0 | 110.1 | V60 G61 | V60-K69 HydrophobicContact CG1-CD 4.06Å; V60-K69 HydrophobicContact CG1-CG 3.83Å; G61-K69 WeakPolarHBondContact O-CA 3.42Å |
| 70 | Y | 96.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.2 | 174 | -65.8 | -81.7 | 0 | 0 | 0 | 109.7 | K35 R37 V60 G61 D63 K68 | K35-Y70 HydrophobicContact CB-CD1 4.47Å; K35-Y70 HydrophobicContact CD-CD1 4.15Å; R37-Y70 HydrophobicContact CB-CE2 4.25Å; R37-Y70 HydrophobicContact CG-CE2 4.23Å; V60-Y70 WeakPolarHBondContact CA-O 3.41Å; G61-Y70 PolarHBondContact N-O 3.38Å; G61-Y70 PolarHBondContact O-N 3.05Å; G61-Y70 VanDerWaalsContact O-O 3.08Å; D63-Y70 HydrophobicContact CB-CD2 4.01Å; D63-Y70 HydrophobicContact CB-CE2 3.69Å; K68-Y70 HydrophobicContact CB-CE2 3.84Å; K68-Y70 WeakPolarHBondContact O-CD2 3.43Å |
| 71 | E | 95.1 | Very high | 93.6 | Very high | 106 Ų | 106 | 62.2 Ų | 62.2 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.8 | 177.9 | 64.1 | -172.8 | -150.6 | 0 | 0 | 110.5 | M59 V60 | M59-E71 VanDerWaalsContact O-CA 3.31Å; M59-E71 WeakPolarHBondContact O-CA 3.46Å; V60-E71 HydrophobicContact CG2-CB 4.3Å |
| 72 | D | 94.2 | Very high | 93.5 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 158 | 177.5 | -162.3 | 14.1 | 0 | 0 | 0 | 111.7 | L34 M59 | L34-D72 HydrophobicContact CD2-CB 3.94Å; M59-D72 PolarHBondContact N-O 2.96Å; M59-D72 PolarHBondContact O-N 3.12Å |
| 73 | I | 93.2 | Very high | 93.4 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 108.7 | 177.4 | -58.4 | 174.9 | 0 | 0 | 0 | 109.4 | K56 V57 H58 | K56-I73 HydrophobicContact CB-CG2 4.11Å; K56-I73 HydrophobicContact CD-CG2 4.42Å; V57-I73 CarbonylContact O-C 3.58Å; V57-I73 VanDerWaalsContact O-CA 3.31Å; V57-I73 WeakPolarHBondContact O-CA 3.41Å; H58-I73 HydrophobicContact CB-CG1 4.08Å |
| 74 | C | 91.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.3 | 174.3 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | C23 V57 M59 S76 M80 | C23-C74 HydrophobicContact CB-CB 4.18Å; C23-C74 WeakPolarHBondContact CB-SG 3.48Å; C23-C74 WeakPolarHBondContact SG-CB 3.36Å; C23-C74 CovalentContact SG-SG 2.08Å; C23-C74 PolarHBondContact SG-SG 2.84Å; V57-C74 PolarHBondContact N-O 2.83Å; V57-C74 PolarHBondContact O-N 2.88Å; M59-C74 WeakPolarHBondContact CE-SG 3.43Å; C74-S76 PolarHBondContact O-N 2.89Å; C74-M80 HydrophobicContact CB-CE 4.49Å; C74-M80 HydrophobicContact CB-CG 4.43Å; C74-M80 HydrophobicContact CB-SD 3.71Å; C74-M80 VanDerWaalsContact SG-SD 3.68Å |
| 75 | P | 93.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 26% | 0.26 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 137.7 | 159.1 | -25.6 | 36.7 | 0 | 0 | 0 | 110.6 | T77 H78 | P75-T77 PolarHBondContact O-N 3.48Å; P75-H78 WeakPolarHBondContact CD-ND1 3.43Å; P75-H78 WeakPolarHBondContact CG-ND1 3.26Å; P75-H78 PolarHBondContact O-N 3.44Å |
| 76 | S | 91.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 67.2 Ų | 67.2 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.5 | -174.2 | 66 | 0 | 0 | 0 | 0 | 113.6 | Q22 S24 A55 C74 | Q22-S76 WeakPolarHBondContact CG-O 3.21Å; S24-S76 WeakPolarHBondContact CB-O 3.28Å; S24-S76 PolarHBondContact N-O 2.86Å; S24-S76 PolarHBondContact OG-O 2.75Å; A55-S76 WeakPolarHBondContact O-CB 3.43Å; A55-S76 PolarHBondContact O-N 2.83Å; A55-S76 PolarHBondContact O-OG 2.78Å; C74-S76 PolarHBondContact O-N 2.89Å |
| 77 | T | 91.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 71.7 Ų | 71.7 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -12.6 | -178.8 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | P75 | P75-T77 PolarHBondContact O-N 3.48Š|
| 78 | H | 92.8 | Very high | 93.4 | Very high | 106 Ų | 106 | 73.5 Ų | 73.5 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -71 | 147.3 | 177.4 | -75.4 | -178 | 0 | 0 | 0 | 111.1 | C23 P75 | C23-H78 VanDerWaalsContact CB-O 3.25Å; C23-H78 WeakPolarHBondContact CB-O 3.49Å; C23-H78 PolarHBondContact N-O 3Å; P75-H78 WeakPolarHBondContact CD-ND1 3.43Å; P75-H78 WeakPolarHBondContact CG-ND1 3.26Å; P75-H78 PolarHBondContact O-N 3.44Å |
| 79 | N | 92.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 60% | 0.599 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 138.6 | 168.8 | -70.2 | -31.3 | 0 | 0 | 0 | 109.4 | P20 Q21 Q22 | P20-N79 HydrophobicContact CB-CB 4.31Å; Q21-N79 WeakPolarHBondContact O-CA 3.12Å; Q22-N79 PolarHBondContact N-OD1 3.24Å |
| 80 | M | 94 | Very high | 93.2 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.4 | 172.7 | -62 | -65.2 | -71.4 | 0 | 0 | 108.3 | Q21 C23 L26 V32 L34 M59 C74 | Q21-M80 PolarHBondContact N-O 2.94Å; Q21-M80 PolarHBondContact O-N 3.34Å; C23-M80 HydrophobicContact CB-CG 3.92Å; L26-M80 HydrophobicContact CD1-CB 4.18Å; L26-M80 HydrophobicContact CD1-CG 4.26Å; V32-M80 HydrophobicContact CG2-CB 3.95Å; V32-M80 HydrophobicContact CG2-CE 4.34Å; L34-M80 HydrophobicContact CD2-CE 4.41Å; M59-M80 HydrophobicContact CE-CE 3.98Å; M59-M80 HydrophobicContact CE-CG 4.45Å; C74-M80 HydrophobicContact CB-CE 4.49Å; C74-M80 HydrophobicContact CB-CG 4.43Å; C74-M80 HydrophobicContact CB-SD 3.71Å; C74-M80 VanDerWaalsContact SG-SD 3.68Å |
| 81 | D | 95.1 | Very high | 93 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.1 | 172.4 | -72.2 | -64.6 | 0 | 0 | 0 | 110.6 | T18 V32 V33 | T18-D81 HydrophobicContact CG2-CB 4.24Å; T18-D81 PolarHBondContact OG1-OD1 2.9Å; V32-D81 WeakPolarHBondContact CG2-O 3.34Å; V33-D81 HydrophobicContact CB-CB 3.92Å; V33-D81 HydrophobicContact CG2-CB 3.82Å; V33-D81 PolarHBondContact N-O 2.87Å |
| 82 | V | 95.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.4 | 172.2 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | T18 F19 Q21 L26 F31 | T18-V82 CarbonylContact C-O 3.55Å; T18-V82 WeakPolarHBondContact CA-O 3.49Å; T18-V82 WeakPolarHBondContact CB-O 3.17Å; F19-V82 HydrophobicContact CD1-CB 4.26Å; F19-V82 HydrophobicContact CD1-CG1 4.43Å; F19-V82 WeakPolarHBondContact CD1-O 3.36Å; F19-V82 HydrophobicContact CD2-CB 4.14Å; F19-V82 HydrophobicContact CE1-CB 3.85Å; F19-V82 HydrophobicContact CE1-CG1 3.57Å; F19-V82 HydrophobicContact CE2-CB 3.72Å; F19-V82 HydrophobicContact CE2-CG1 3.9Å; F19-V82 HydrophobicContact CE2-CG2 4.24Å; F19-V82 HydrophobicContact CG-CB 4.41Å; F19-V82 HydrophobicContact CZ-CB 3.57Å; F19-V82 HydrophobicContact CZ-CG1 3.27Å; F19-V82 HydrophobicContact CZ-CG2 4.43Å; F19-V82 PolarHBondContact N-O 2.85Å; F19-V82 PolarHBondContact O-N 2.73Å; Q21-V82 HydrophobicContact CB-CG2 3.62Å; L26-V82 HydrophobicContact CD2-CG2 3.71Å; F31-V82 WeakPolarHBondContact O-CG1 3.2Å |
| 83 | P | 95.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141.1 | -179.8 | 30.7 | -34.9 | 0 | 0 | 0 | 110.7 | F31 V33 P38 I85 M142 | F31-P83 HydrophobicContact CB-CG 3.9Å; V33-P83 HydrophobicContact CG2-CB 4.21Å; V33-P83 HydrophobicContact CG2-CG 4.35Å; P38-P83 HydrophobicContact CB-CB 3.93Å; P38-P83 HydrophobicContact CB-CG 3.91Å; P83-I85 HydrophobicContact CB-CD1 3.93Å; P83-I85 HydrophobicContact CG-CD1 3.8Å; P83-I85 HydrophobicContact CG-CG1 4.35Å; P83-I85 PolarHBondContact O-N 3.02Å; P83-M142 HydrophobicContact CB-CG 3.89Å; P83-M142 HydrophobicContact CB-SD 4.05Å |
| 84 | N | 92.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 34% | 0.337 | 28% | 0.284 | S | S | . | . | trans | -75.4 | 107.9 | 166.7 | -80.2 | -46 | 0 | 0 | 0 | 108.9 | S16 A17 F19 | S16-N84 PolarHBondContact O-ND2 2.89Å; A17-N84 PolarHBondContact O-N 2.94Å; F19-N84 VanDerWaalsContact CD1-OD1 3.3Å; F19-N84 WeakPolarHBondContact CD1-OD1 3.38Å; F19-N84 WeakPolarHBondContact CE1-OD1 3.49Å | ||
| 85 | I | 91.4 | Very high | 92.8 | Very high | 43 Ų | 43 | 58 Ų | 58 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.1 | 178.5 | -52.4 | -58.4 | 0 | 0 | 0 | 109 | F31 I64 P83 R87 L139 A141 | F31-I85 HydrophobicContact CB-CG1 4.37Å; F31-I85 HydrophobicContact CD1-CD1 4.41Å; F31-I85 HydrophobicContact CD1-CG1 4.08Å; F31-I85 HydrophobicContact CD2-CG1 3.93Å; F31-I85 HydrophobicContact CE1-CG1 4.36Å; F31-I85 HydrophobicContact CE2-CG1 4.23Å; F31-I85 HydrophobicContact CG-CG1 3.86Å; F31-I85 HydrophobicContact CZ-CG1 4.43Å; I64-I85 HydrophobicContact CD1-CD1 3.62Å; P83-I85 HydrophobicContact CB-CD1 3.93Å; P83-I85 HydrophobicContact CG-CD1 3.8Å; P83-I85 HydrophobicContact CG-CG1 4.35Å; P83-I85 PolarHBondContact O-N 3.02Å; I85-R87 HydrophobicContact CG2-CG 4.43Å; I85-L139 HydrophobicContact CG2-CD1 3.9Å; I85-L139 HydrophobicContact CG2-CD2 4.09Å; I85-L139 HydrophobicContact CG2-CG 3.84Å; I85-A141 HydrophobicContact CD1-CB 3.35Å |
| 86 | K | 90.9 | Very high | 92.7 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.4 | 169.9 | -64.4 | 178.5 | -177.3 | 175.7 | 0 | 108.9 | L139 S140 | K86-L139 WeakPolarHBondContact O-CA 3.17Å; K86-S140 PolarHBondContact N-O 3.03Å; K86-S140 PolarHBondContact O-N 3.04Å |
| 87 | R | 91.9 | Very high | 92.5 | Very high | 155 Ų | 155 | 66 Ų | 66 | 59% | 0.585 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.4 | 172.7 | -68.8 | -179.5 | -177.6 | 173.6 | -4.6 | 108.1 | I85 T137 V138 L139 | I85-R87 HydrophobicContact CG2-CG 4.43Å; R87-T137 HydrophobicContact CB-CG2 4.21Å; R87-V138 WeakPolarHBondContact CA-O 3.33Å; R87-L139 HydrophobicContact CG-CB 4.4Å; R87-L139 HydrophobicContact CG-CD1 4.24Å; R87-L139 HydrophobicContact CG-CG 4.2Å |
| 88 | L | 91.5 | Very high | 92.3 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.8 | 179.6 | -67.8 | 172.7 | 0 | 0 | 0 | 107.8 | Y90 T137 V138 | L88-Y90 HydrophobicContact CB-CD2 4.3Å; L88-Y90 HydrophobicContact CB-CE2 3.44Å; L88-Y90 VanDerWaalsContact CB-CE2 3.44Å; L88-Y90 WeakPolarHBondContact CD1-OH 3.29Å; L88-Y90 WeakPolarHBondContact O-CD2 3.39Å; L88-Y90 WeakPolarHBondContact O-CE2 3.41Å; L88-T137 CarbonylContact O-C 3.49Å; L88-T137 WeakPolarHBondContact O-CA 3.44Å; L88-V138 PolarHBondContact N-O 2.87Å; L88-V138 PolarHBondContact O-N 3.36Å |
| 89 | D | 92.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 64.1 Ų | 64.1 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.8 | 174.6 | -66.8 | -26.4 | 0 | 0 | 0 | 108.1 | T137 K151 | D89-T137 VanDerWaalsContact OD1-CB 3.29Å; D89-T137 WeakPolarHBondContact OD1-CB 3.49Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.43Å; D89-T137 PolarHBondContact OD1-OG1 2.86Å; D89-K151 IonicContact OD1-NZ 3.27Å; D89-K151 PolarHBondContact OD1-NZ 2.79Å; D89-K151 IonicContact OD2-NZ 2.86Å; D89-K151 PolarHBondContact OD2-NZ 2.79Å |
| 90 | Y | 93.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.3 | 179.3 | -60.8 | -105.1 | 0 | 0 | 0 | 109.4 | L88 L102 L103 Q104 R110 L135 I136 V138 | L88-Y90 HydrophobicContact CB-CD2 4.3Å; L88-Y90 HydrophobicContact CB-CE2 3.44Å; L88-Y90 VanDerWaalsContact CB-CE2 3.44Å; L88-Y90 WeakPolarHBondContact CD1-OH 3.29Å; L88-Y90 WeakPolarHBondContact O-CD2 3.39Å; L88-Y90 WeakPolarHBondContact O-CE2 3.41Å; Y90-L102 HydrophobicContact CD1-CB 4.08Å; Y90-L102 HydrophobicContact CG-CB 4.12Å; Y90-L102 HydrophobicContact CG-CD1 4.39Å; Y90-L103 CarbonylContact C-O 3.59Å; Y90-L103 WeakPolarHBondContact CA-O 3.41Å; Y90-Q104 HydrophobicContact CD1-CB 4.43Å; Y90-Q104 HydrophobicContact CD1-CG 3.34Å; Y90-Q104 HydrophobicContact CE1-CG 3.12Å; Y90-R110 PolarHBondContact OH-NH1 3.44Å; Y90-L135 CarbonylContact O-C 3.53Å; Y90-L135 WeakPolarHBondContact O-CA 3.49Å; Y90-I136 PolarHBondContact N-O 3.47Å; Y90-I136 PolarHBondContact O-N 3.14Å; Y90-V138 HydrophobicContact CD2-CB 4.06Å; Y90-V138 HydrophobicContact CD2-CG2 3.57Å; Y90-V138 HydrophobicContact CE2-CB 3.7Å; Y90-V138 HydrophobicContact CE2-CG2 3.67Å |
| 91 | Q | 93.8 | Very high | 92.1 | Very high | 55 Ų | 55 | 58 Ų | 58 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.6 | 171.3 | -178 | 177 | 2.4 | 0 | 0 | 110 | I93 L102 L103 L135 M153 | Q91-I93 HydrophobicContact CG-CG2 4.24Å; Q91-I93 PolarHBondContact O-N 2.85Å; Q91-L102 CarbonylContact O-C 3.59Å; Q91-L102 WeakPolarHBondContact O-CA 3.46Å; Q91-L103 HydrophobicContact CB-CB 4.29Å; Q91-L103 PolarHBondContact N-O 2.9Å; Q91-L103 PolarHBondContact O-N 3.01Å; Q91-L135 HydrophobicContact CB-CD2 4.11Å; Q91-M153 HydrophobicContact CG-CE 4.04Å |
| 92 | L | 93.2 | Very high | 92 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.6 | 170.9 | -175.7 | 68.8 | 0 | 0 | 0 | 109.2 | G94 I95 L100 L102 I124 Y128 I134 I136 | L92-G94 WeakPolarHBondContact CD1-O 3.43Å; L92-I95 HydrophobicContact CD1-CG1 4.36Å; L92-I95 HydrophobicContact CD2-CD1 4.4Å; L92-I95 HydrophobicContact CD2-CG1 4.38Å; L92-L100 HydrophobicContact CD1-CB 4.18Å; L92-L100 HydrophobicContact CD1-CD2 3.98Å; L92-L102 HydrophobicContact CB-CD2 4.47Å; L92-L102 HydrophobicContact CD1-CD2 3.81Å; L92-I124 HydrophobicContact CD2-CG2 3.63Å; L92-Y128 HydrophobicContact CD2-CD2 3.86Å; L92-Y128 HydrophobicContact CD2-CG 4.3Å; L92-Y128 HydrophobicContact CG-CD2 4.19Å; L92-I134 HydrophobicContact CB-CD1 4.41Å; L92-I134 HydrophobicContact CB-CG1 3.78Å; L92-I134 HydrophobicContact CD2-CD1 3.63Å; L92-I134 HydrophobicContact CD2-CG1 3.88Å; L92-I134 HydrophobicContact CG-CG1 4.5Å; L92-I134 PolarHBondContact N-O 3.41Å; L92-I136 HydrophobicContact CB-CG1 4.1Å |
| 93 | I | 93.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 38% | 0.379 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -19.4 | 177.9 | 59.8 | 164.1 | 0 | 0 | 0 | 112.7 | Q91 S101 L103 V109 Y128 | Q91-I93 HydrophobicContact CG-CG2 4.24Å; Q91-I93 PolarHBondContact O-N 2.85Å; I93-S101 WeakPolarHBondContact CG1-O 3.48Å; I93-S101 PolarHBondContact N-O 3.11Å; I93-L103 HydrophobicContact CD1-CB 4.29Å; I93-L103 HydrophobicContact CG1-CB 4.44Å; I93-L103 HydrophobicContact CG2-CB 3.72Å; I93-L103 HydrophobicContact CG2-CD2 4.14Å; I93-V109 HydrophobicContact CD1-CG1 3.84Å; I93-V109 HydrophobicContact CD1-CG2 3.88Å; I93-Y128 PolarHBondContact O-OH 2.9Å |
| 94 | G | 91.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 162.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | L92 S101 | L92-G94 WeakPolarHBondContact CD1-O 3.43Å; G94-S101 PolarHBondContact N-O 3.36Å; G94-S101 PolarHBondContact O-N 2.82Å |
| 95 | I | 91.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 63 Ų | 63 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118.3 | 169.9 | -52.9 | 175.7 | 0 | 0 | 0 | 107.1 | L92 Y99 L100 M115 I124 Y128 | L92-I95 HydrophobicContact CD1-CG1 4.36Å; L92-I95 HydrophobicContact CD2-CD1 4.4Å; L92-I95 HydrophobicContact CD2-CG1 4.38Å; I95-Y99 CarbonylContact C-O 3.59Å; I95-Y99 WeakPolarHBondContact CA-O 3.47Å; I95-L100 HydrophobicContact CG1-CD2 4.14Å; I95-M115 HydrophobicContact CG2-SD 4.44Å; I95-I124 HydrophobicContact CD1-CG2 3.99Å; I95-Y128 HydrophobicContact CD1-CD1 4.13Å; I95-Y128 HydrophobicContact CD1-CG 4.12Å; I95-Y128 HydrophobicContact CG1-CD1 4.39Å; I95-Y128 HydrophobicContact CG1-CG 4.44Å |
| 96 | T | 90.1 | Very high | 91.2 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122.9 | -176.3 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | G98 Y99 | T96-G98 PolarHBondContact O-N 3.25Å; T96-Y99 PolarHBondContact N-O 3.12Å; T96-Y99 WeakPolarHBondContact O-CA 3.42Å; T96-Y99 WeakPolarHBondContact O-CB 3.17Å; T96-Y99 PolarHBondContact O-N 2.74Å |
| 97 | D | 87.6 | Confident | 91.1 | Very high | 155 Ų | 155 | 60.9 Ų | 60.9 | 83% | 0.829 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 31.2 | 178.2 | -62.4 | -40.6 | 0 | 0 | 0 | 114.8 | Y99 | D97-Y99 WeakPolarHBondContact O-CD2 3.42Š|
| 98 | G | 86.3 | Confident | 91 | Very high | 26 Ų | 26 | 59.4 Ų | 59.4 | 27% | 0.268 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 10.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T96 K114 M115 | T96-G98 PolarHBondContact O-N 3.25Å; G98-K114 WeakPolarHBondContact O-CG 3.44Å; G98-M115 WeakPolarHBondContact O-CB 3.4Å; G98-M115 PolarHBondContact O-N 2.74Å |
| 99 | Y | 90.8 | Very high | 91 | Very high | 114 Ų | 114 | 58.6 Ų | 58.6 | 45% | 0.447 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.1 | 170.5 | -67.2 | -95.3 | 0 | 0 | 0 | 110.6 | I95 T96 D97 L113 K114 | I95-Y99 CarbonylContact C-O 3.59Å; I95-Y99 WeakPolarHBondContact CA-O 3.47Å; T96-Y99 PolarHBondContact N-O 3.12Å; T96-Y99 WeakPolarHBondContact O-CA 3.42Å; T96-Y99 WeakPolarHBondContact O-CB 3.17Å; T96-Y99 PolarHBondContact O-N 2.74Å; D97-Y99 WeakPolarHBondContact O-CD2 3.42Å; Y99-L113 WeakPolarHBondContact CA-O 3.48Å; Y99-K114 HydrophobicContact CD1-CB 4.49Å; Y99-K114 HydrophobicContact CE1-CB 4.4Å |
| 100 | L | 91.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.5 | 178.1 | -58.3 | 177.1 | 0 | 0 | 0 | 109.3 | L92 I95 L102 L113 M115 I124 I136 A147 | L92-L100 HydrophobicContact CD1-CB 4.18Å; L92-L100 HydrophobicContact CD1-CD2 3.98Å; I95-L100 HydrophobicContact CG1-CD2 4.14Å; L100-L102 HydrophobicContact CB-CD1 4.3Å; L100-L102 HydrophobicContact CB-CD2 3.99Å; L100-L102 HydrophobicContact CB-CG 3.89Å; L100-L113 PolarHBondContact N-O 2.57Å; L100-M115 HydrophobicContact CD2-CB 4.1Å; L100-M115 HydrophobicContact CD2-CG 4.16Å; L100-M115 HydrophobicContact CG-CB 4.34Å; L100-I124 HydrophobicContact CD1-CD1 4.48Å; L100-I124 HydrophobicContact CD2-CG2 4.08Å; L100-I136 HydrophobicContact CD1-CG2 4.49Å; L100-A147 HydrophobicContact CD1-CB 4.48Å |
| 101 | S | 93.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.7 | 167.4 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | I93 G94 R110 E111 | I93-S101 WeakPolarHBondContact CG1-O 3.48Å; I93-S101 PolarHBondContact N-O 3.11Å; G94-S101 PolarHBondContact N-O 3.36Å; G94-S101 PolarHBondContact O-N 2.82Å; S101-R110 CarbonylContact C-O 3.59Å; S101-R110 WeakPolarHBondContact CA-O 3.3Å; S101-E111 PolarHBondContact OG-OE1 2.83Å |
| 102 | L | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.4 | -169.6 | -64.8 | -178.5 | 0 | 0 | 0 | 110.4 | Y90 Q91 L92 L100 V109 R110 L113 I136 V138 | Y90-L102 HydrophobicContact CD1-CB 4.08Å; Y90-L102 HydrophobicContact CG-CB 4.12Å; Y90-L102 HydrophobicContact CG-CD1 4.39Å; Q91-L102 CarbonylContact O-C 3.59Å; Q91-L102 WeakPolarHBondContact O-CA 3.46Å; L92-L102 HydrophobicContact CB-CD2 4.47Å; L92-L102 HydrophobicContact CD1-CD2 3.81Å; L100-L102 HydrophobicContact CB-CD1 4.3Å; L100-L102 HydrophobicContact CB-CD2 3.99Å; L100-L102 HydrophobicContact CB-CG 3.89Å; L102-V109 CarbonylContact O-C 3.45Å; L102-V109 WeakPolarHBondContact O-CA 3.48Å; L102-R110 HydrophobicContact CB-CB 4.45Å; L102-R110 PolarHBondContact N-O 3.2Å; L102-R110 PolarHBondContact O-N 2.95Å; L102-L113 HydrophobicContact CD1-CB 4.37Å; L102-L113 HydrophobicContact CD1-CD1 3.63Å; L102-I136 HydrophobicContact CD2-CB 3.96Å; L102-I136 HydrophobicContact CD2-CG1 3.9Å; L102-V138 HydrophobicContact CD1-CG2 3.89Å |
| 103 | L | 93.2 | Very high | 90.4 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.4 | 178 | 178.5 | 67.9 | 0 | 0 | 0 | 110.5 | Y90 Q91 I93 V109 | Y90-L103 CarbonylContact C-O 3.59Å; Y90-L103 WeakPolarHBondContact CA-O 3.41Å; Q91-L103 HydrophobicContact CB-CB 4.29Å; Q91-L103 PolarHBondContact N-O 2.9Å; Q91-L103 PolarHBondContact O-N 3.01Å; I93-L103 HydrophobicContact CD1-CB 4.29Å; I93-L103 HydrophobicContact CG1-CB 4.44Å; I93-L103 HydrophobicContact CG2-CB 3.72Å; I93-L103 HydrophobicContact CG2-CD2 4.14Å; L103-V109 HydrophobicContact CD1-CG2 3.7Å |
| 104 | Q | 90.8 | Very high | 90.1 | Very high | 54 Ų | 54 | 67.4 Ų | 67.4 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | trans | -84.4 | 158.7 | 169.1 | -70.1 | -171.6 | 40.3 | 0 | 0 | 111.7 | Y90 S106 G107 E108 | Y90-Q104 HydrophobicContact CD1-CB 4.43Å; Y90-Q104 HydrophobicContact CD1-CG 3.34Å; Y90-Q104 HydrophobicContact CE1-CG 3.12Å; Q104-S106 WeakPolarHBondContact CB-OG 3.49Å; Q104-S106 PolarHBondContact O-N 3.09Å; Q104-S106 VanDerWaalsContact O-N 3.12Å; Q104-G107 PolarHBondContact O-N 3.16Å; Q104-E108 PolarHBondContact N-O 3.32Å | ||
| 105 | D | 86.1 | Confident | 90 | Very high | 164 Ų | 164 | 69.4 Ų | 69.4 | 88% | 0.877 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.6 | 170.6 | -60 | -42.2 | 0 | 0 | 0 | 113 | G107 | D105-G107 PolarHBondContact O-N 3.44Š|
| 106 | S | 87.9 | Confident | 89.8 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 53% | 0.531 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -13.3 | 174.4 | 63 | 0 | 0 | 0 | 0 | 113.6 | Q104 E108 | Q104-S106 WeakPolarHBondContact CB-OG 3.49Å; Q104-S106 PolarHBondContact O-N 3.09Å; Q104-S106 VanDerWaalsContact O-N 3.12Å; S106-E108 PolarHBondContact OG-N 2.94Å; S106-E108 PolarHBondContact OG-OE2 3.27Å; S106-E108 VanDerWaalsContact OG-OE2 3.06Å |
| 107 | G | 87.5 | Confident | 89.6 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 55% | 0.546 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 89.7 | -1.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q104 D105 | Q104-G107 PolarHBondContact O-N 3.16Å; D105-G107 PolarHBondContact O-N 3.44Å |
| 108 | E | 90.9 | Very high | 89.5 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 58% | 0.575 | 37% | 0.369 | S | S | * | . | trans | -77.7 | 135.2 | 176 | -67.8 | 176.7 | 102 | 0 | 0 | 111.4 | Q104 S106 | Q104-E108 PolarHBondContact N-O 3.32Å; S106-E108 PolarHBondContact OG-N 2.94Å; S106-E108 PolarHBondContact OG-OE2 3.27Å; S106-E108 VanDerWaalsContact OG-OE2 3.06Å | ||
| 109 | V | 91.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.1 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | I93 L102 L103 E111 | I93-V109 HydrophobicContact CD1-CG1 3.84Å; I93-V109 HydrophobicContact CD1-CG2 3.88Å; L102-V109 CarbonylContact O-C 3.45Å; L102-V109 WeakPolarHBondContact O-CA 3.48Å; L103-V109 HydrophobicContact CD1-CG2 3.7Å; V109-E111 HydrophobicContact CG1-CG 4.09Å |
| 110 | R | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 15% | 0.151 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.5 | 176.6 | -81.2 | -173.3 | 54.8 | -177.5 | -1.2 | 110.7 | Y90 S101 L102 D112 L113 E145 | Y90-R110 PolarHBondContact OH-NH1 3.44Å; S101-R110 CarbonylContact C-O 3.59Å; S101-R110 WeakPolarHBondContact CA-O 3.3Å; L102-R110 HydrophobicContact CB-CB 4.45Å; L102-R110 PolarHBondContact N-O 3.2Å; L102-R110 PolarHBondContact O-N 2.95Å; R110-D112 WeakPolarHBondContact CB-OD1 3.31Å; R110-D112 IonicContact CZ-OD1 3.87Å; R110-D112 IonicContact CZ-OD2 2.72Å; R110-D112 IonicContact NE-OD1 3.39Å; R110-D112 PolarHBondContact NE-OD1 3.34Å; R110-D112 IonicContact NE-OD2 3.2Å; R110-D112 IonicContact NH2-OD1 2.67Å; R110-D112 PolarHBondContact NH2-OD1 2.69Å; R110-D112 IonicContact NH2-OD2 2.89Å; R110-D112 PolarHBondContact NH2-OD2 3.36Å; R110-L113 VanDerWaalsContact NH2-CD1 3.3Å; R110-E145 IonicContact CZ-OE2 3.82Å; R110-E145 VanDerWaalsContact CZ-OE2 3.27Å; R110-E145 IonicContact NH1-OE2 3.47Å; R110-E145 PolarHBondContact NH1-OE2 2.8Å; R110-E145 IonicContact NH2-OE2 2.97Å; R110-E145 PolarHBondContact NH2-OE2 3.24Å |
| 111 | E | 91.8 | Very high | 89.4 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 14.2 | -178.2 | -53.1 | -170 | 100.4 | 0 | 0 | 112 | S101 V109 | S101-E111 PolarHBondContact OG-OE1 2.83Å; V109-E111 HydrophobicContact CG1-CG 4.09Å |
| 112 | D | 87.9 | Confident | 89.2 | Confident | 95 Ų | 95 | 76 Ų | 76 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -16.6 | -175.7 | 61.3 | -57.8 | 0 | 0 | 0 | 113.3 | R110 | R110-D112 WeakPolarHBondContact CB-OD1 3.31Å; R110-D112 IonicContact CZ-OD1 3.87Å; R110-D112 IonicContact CZ-OD2 2.72Å; R110-D112 IonicContact NE-OD1 3.39Å; R110-D112 PolarHBondContact NE-OD1 3.34Å; R110-D112 IonicContact NE-OD2 3.2Å; R110-D112 IonicContact NH2-OD1 2.67Å; R110-D112 PolarHBondContact NH2-OD1 2.69Å; R110-D112 IonicContact NH2-OD2 2.89Å; R110-D112 PolarHBondContact NH2-OD2 3.36Å |
| 113 | L | 89.8 | Confident | 89.1 | Confident | 14 Ų | 14 | 80.1 Ų | 80.1 | 7% | 0.073 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.8 | -176.4 | -77 | 166 | 0 | 0 | 0 | 111.8 | Y99 L100 L102 R110 V138 E145 | Y99-L113 WeakPolarHBondContact CA-O 3.48Å; L100-L113 PolarHBondContact N-O 2.57Å; L102-L113 HydrophobicContact CD1-CB 4.37Å; L102-L113 HydrophobicContact CD1-CD1 3.63Å; R110-L113 VanDerWaalsContact NH2-CD1 3.3Å; L113-V138 HydrophobicContact CD1-CB 4.25Å; L113-V138 HydrophobicContact CD1-CG1 3.69Å; L113-V138 HydrophobicContact CD1-CG2 3.52Å; L113-V138 HydrophobicContact CD2-CG1 4.42Å; L113-E145 HydrophobicContact CD2-CB 3.96Å |
| 114 | K | 89.3 | Confident | 89.1 | Confident | 132 Ų | 132 | 78 Ų | 78 | 57% | 0.574 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 143.7 | 173.6 | -162.9 | 178.2 | -178.3 | -172.1 | 0 | 110.6 | G98 Y99 | G98-K114 WeakPolarHBondContact O-CG 3.44Å; Y99-K114 HydrophobicContact CD1-CB 4.49Å; Y99-K114 HydrophobicContact CE1-CB 4.4Å |
| 115 | M | 88.1 | Confident | 89.1 | Confident | 50 Ų | 50 | 80 Ų | 80 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.6 | 172.1 | -173.7 | 170.3 | 66.3 | 0 | 0 | 110.5 | I95 G98 L100 | I95-M115 HydrophobicContact CG2-SD 4.44Å; G98-M115 WeakPolarHBondContact O-CB 3.4Å; G98-M115 PolarHBondContact O-N 2.74Å; L100-M115 HydrophobicContact CD2-CB 4.1Å; L100-M115 HydrophobicContact CD2-CG 4.16Å; L100-M115 HydrophobicContact CG-CB 4.34Å |
| 116 | P | 87.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -64 | 144.6 | 178 | 26 | -33.9 | 0 | 0 | 0 | 110.9 | M120 G121 I124 A147 | P116-M120 HydrophobicContact CB-CG 4.46Å; P116-M120 HydrophobicContact CB-SD 4.17Å; P116-M120 HydrophobicContact CG-CB 4.3Å; P116-M120 HydrophobicContact CG-CG 3.9Å; P116-M120 HydrophobicContact CG-SD 3.93Å; P116-G121 WeakPolarHBondContact O-CA 3.48Å; P116-G121 PolarHBondContact O-N 2.81Å; P116-I124 HydrophobicContact CG-CD1 3.62Å; P116-A147 HydrophobicContact CG-CB 4.16Å |
| 117 | E | 85.6 | Confident | 89.5 | Confident | 169 Ų | 169 | 75.3 Ų | 75.3 | 79% | 0.79 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -78 | 163.5 | 176.7 | -61.6 | -174.6 | 165.4 | 0 | 0 | 111.8 | ||
| 118 | G | 86.9 | Confident | 89.6 | Confident | 47 Ų | 47 | 77 Ų | 77 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -151.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | M120 G121 K122 | G118-M120 VanDerWaalsContact C-N 3.28Å; G118-M120 PolarHBondContact O-N 3.31Å; G118-G121 PolarHBondContact O-N 2.88Å; G118-K122 PolarHBondContact O-N 3.05Å |
| 119 | D | 87.4 | Confident | 89.6 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 70% | 0.695 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.8 | -29.4 | -172.7 | -62 | -33.8 | 0 | 0 | 0 | 112.6 | K122 E123 | D119-K122 PolarHBondContact O-N 3Å; D119-E123 WeakPolarHBondContact O-CB 3.29Å; D119-E123 PolarHBondContact O-N 3.17Å |
| 120 | M | 87.9 | Confident | 89.5 | Confident | 60 Ų | 60 | 76.7 Ų | 76.7 | 30% | 0.296 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 177.9 | -172.8 | 179.5 | -71.9 | 0 | 0 | 112 | P116 G118 K122 E123 I124 V148 I150 | P116-M120 HydrophobicContact CB-CG 4.46Å; P116-M120 HydrophobicContact CB-SD 4.17Å; P116-M120 HydrophobicContact CG-CB 4.3Å; P116-M120 HydrophobicContact CG-CG 3.9Å; P116-M120 HydrophobicContact CG-SD 3.93Å; G118-M120 VanDerWaalsContact C-N 3.28Å; G118-M120 PolarHBondContact O-N 3.31Å; M120-K122 VanDerWaalsContact C-N 3.32Å; M120-K122 PolarHBondContact O-N 3.24Å; M120-E123 PolarHBondContact O-N 3.32Å; M120-I124 HydrophobicContact CG-CD1 4.34Å; M120-I124 WeakPolarHBondContact O-CG1 3.31Å; M120-I124 PolarHBondContact O-N 2.89Å; M120-V148 WeakPolarHBondContact CE-O 3.3Å; M120-I150 HydrophobicContact CG-CD1 3.94Å; M120-I150 HydrophobicContact CG-CG1 4.25Å |
| 121 | G | 89.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 78 Ų | 78 | 3% | 0.031 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P116 G118 E123 I124 E125 | P116-G121 WeakPolarHBondContact O-CA 3.48Å; P116-G121 PolarHBondContact O-N 2.81Å; G118-G121 PolarHBondContact O-N 2.88Å; G121-E123 VanDerWaalsContact C-N 3.33Å; G121-E123 PolarHBondContact O-N 2.79Å; G121-I124 WeakPolarHBondContact O-CB 3.3Å; G121-I124 PolarHBondContact O-N 2.89Å; G121-E125 PolarHBondContact O-N 2.81Å |
| 122 | K | 90.9 | Very high | 89.4 | Confident | 129 Ų | 129 | 77.2 Ų | 77.2 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 175.7 | -65.1 | 176.3 | -175.6 | 170.8 | 0 | 112.4 | G118 D119 M120 E125 T126 | G118-K122 PolarHBondContact O-N 3.05Å; D119-K122 PolarHBondContact O-N 3Å; M120-K122 VanDerWaalsContact C-N 3.32Å; M120-K122 PolarHBondContact O-N 3.24Å; K122-E125 PolarHBondContact O-N 2.95Å; K122-T126 WeakPolarHBondContact O-CB 3.31Å; K122-T126 PolarHBondContact O-N 2.63Å; K122-T126 PolarHBondContact O-OG1 2.88Å |
| 123 | E | 91.4 | Very high | 89.4 | Confident | 86 Ų | 86 | 78.2 Ų | 78.2 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.8 | -170.1 | -176.7 | 161.1 | 0 | 0 | 111.4 | D119 M120 G121 T126 K127 I150 | D119-E123 WeakPolarHBondContact O-CB 3.29Å; D119-E123 PolarHBondContact O-N 3.17Å; M120-E123 PolarHBondContact O-N 3.32Å; G121-E123 VanDerWaalsContact C-N 3.33Å; G121-E123 PolarHBondContact O-N 2.79Å; E123-T126 PolarHBondContact O-N 2.82Å; E123-K127 HydrophobicContact CG-CD 4.24Å; E123-K127 WeakPolarHBondContact O-CB 3.19Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.89Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 2.88Å; E123-K127 PolarHBondContact OE1-NZ 2.8Å; E123-I150 HydrophobicContact CB-CD1 3.84Å; E123-I150 HydrophobicContact CG-CD1 3.85Å |
| 124 | I | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -51.5 | 174 | -69.3 | 171.1 | 0 | 0 | 0 | 110.3 | L92 I95 L100 P116 M120 G121 T126 K127 Y128 I134 I136 I150 | L92-I124 HydrophobicContact CD2-CG2 3.63Å; I95-I124 HydrophobicContact CD1-CG2 3.99Å; L100-I124 HydrophobicContact CD1-CD1 4.48Å; L100-I124 HydrophobicContact CD2-CG2 4.08Å; P116-I124 HydrophobicContact CG-CD1 3.62Å; M120-I124 HydrophobicContact CG-CD1 4.34Å; M120-I124 WeakPolarHBondContact O-CG1 3.31Å; M120-I124 PolarHBondContact O-N 2.89Å; G121-I124 WeakPolarHBondContact O-CB 3.3Å; G121-I124 PolarHBondContact O-N 2.89Å; I124-T126 PolarHBondContact O-N 3.01Å; I124-K127 PolarHBondContact O-N 2.9Å; I124-Y128 VanDerWaalsContact O-CB 3.29Å; I124-Y128 WeakPolarHBondContact O-CB 3.34Å; I124-Y128 PolarHBondContact O-N 2.86Å; I124-I134 HydrophobicContact CG2-CD1 4.35Å; I124-I136 HydrophobicContact CD1-CD1 3.91Å; I124-I136 HydrophobicContact CG1-CD1 3.88Å; I124-I150 HydrophobicContact CD1-CD1 4.34Å; I124-I150 HydrophobicContact CD1-CG1 4.32Å; I124-I150 HydrophobicContact CG1-CD1 3.49Å; I124-I150 VanDerWaalsContact CG1-CD1 3.49Å; I124-I150 HydrophobicContact CG1-CG1 3.78Å |
| 125 | E | 90.9 | Very high | 89.7 | Confident | 97 Ų | 97 | 73 Ų | 73 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 179.8 | -170.6 | 174.7 | -153.2 | 0 | 0 | 111.3 | G121 K122 K127 Y128 D129 | G121-E125 PolarHBondContact O-N 2.81Å; K122-E125 PolarHBondContact O-N 2.95Å; E125-K127 PolarHBondContact O-N 2.84Å; E125-Y128 PolarHBondContact O-N 2.81Å; E125-D129 WeakPolarHBondContact O-CB 3.35Å; E125-D129 PolarHBondContact O-N 2.82Å |
| 126 | T | 91.9 | Very high | 89.9 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 58% | 0.577 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | K122 E123 I124 A130 | K122-T126 WeakPolarHBondContact O-CB 3.31Å; K122-T126 PolarHBondContact O-N 2.63Å; K122-T126 PolarHBondContact O-OG1 2.88Å; E123-T126 PolarHBondContact O-N 2.82Å; I124-T126 PolarHBondContact O-N 3.01Å; T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.97Å |
| 127 | K | 90.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.7 | -36.8 | 179.6 | -74.8 | 179.7 | 172.2 | 171.5 | 0 | 112 | E123 I124 E125 A130 G131 E132 I134 I150 | E123-K127 HydrophobicContact CG-CD 4.24Å; E123-K127 WeakPolarHBondContact O-CB 3.19Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.89Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 2.88Å; E123-K127 PolarHBondContact OE1-NZ 2.8Å; I124-K127 PolarHBondContact O-N 2.9Å; E125-K127 PolarHBondContact O-N 2.84Å; K127-A130 PolarHBondContact O-N 3.25Å; K127-G131 PolarHBondContact O-N 2.82Å; K127-E132 HydrophobicContact CB-CB 4.49Å; K127-E132 WeakPolarHBondContact O-CB 3.22Å; K127-E132 PolarHBondContact O-N 3.14Å; K127-I134 HydrophobicContact CB-CD1 4.05Å; K127-I134 HydrophobicContact CB-CG2 3.89Å; K127-I134 HydrophobicContact CD-CG2 3.92Å; K127-I134 HydrophobicContact CG-CG2 4.46Å; K127-I150 HydrophobicContact CD-CG2 4.21Å |
| 128 | Y | 90.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 62 Ų | 62 | 35% | 0.349 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 174.5 | -175.6 | -102.5 | 0 | 0 | 0 | 111.6 | L92 I93 I95 I124 E125 A130 G131 | L92-Y128 HydrophobicContact CD2-CD2 3.86Å; L92-Y128 HydrophobicContact CD2-CG 4.3Å; L92-Y128 HydrophobicContact CG-CD2 4.19Å; I93-Y128 PolarHBondContact O-OH 2.9Å; I95-Y128 HydrophobicContact CD1-CD1 4.13Å; I95-Y128 HydrophobicContact CD1-CG 4.12Å; I95-Y128 HydrophobicContact CG1-CD1 4.39Å; I95-Y128 HydrophobicContact CG1-CG 4.44Å; I124-Y128 VanDerWaalsContact O-CB 3.29Å; I124-Y128 WeakPolarHBondContact O-CB 3.34Å; I124-Y128 PolarHBondContact O-N 2.86Å; E125-Y128 PolarHBondContact O-N 2.81Å; Y128-A130 VanDerWaalsContact C-N 3.27Å; Y128-A130 PolarHBondContact O-N 2.82Å; Y128-G131 WeakPolarHBondContact O-CA 3.32Å; Y128-G131 PolarHBondContact O-N 2.08Å |
| 129 | D | 90.2 | Very high | 90.8 | Very high | 125 Ų | 125 | 60 Ų | 60 | 67% | 0.668 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -29.5 | 177.2 | -75.9 | -16.4 | 0 | 0 | 0 | 113 | E125 G131 | E125-D129 WeakPolarHBondContact O-CB 3.35Å; E125-D129 PolarHBondContact O-N 2.82Å; D129-G131 PolarHBondContact O-N 3.28Å |
| 130 | A | 90.9 | Very high | 91 | Very high | 66 Ų | 66 | 55 Ų | 55 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | T126 K127 Y128 E132 | T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.97Å; K127-A130 PolarHBondContact O-N 3.25Å; Y128-A130 VanDerWaalsContact C-N 3.27Å; Y128-A130 PolarHBondContact O-N 2.82Å; A130-E132 VanDerWaalsContact C-N 3.28Å; A130-E132 HydrophobicContact CB-CG 4.13Å |
| 131 | G | 87.6 | Confident | 91.2 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 68% | 0.68 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 22.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K127 Y128 D129 | K127-G131 PolarHBondContact O-N 2.82Å; Y128-G131 WeakPolarHBondContact O-CA 3.32Å; Y128-G131 PolarHBondContact O-N 2.08Å; D129-G131 PolarHBondContact O-N 3.28Å |
| 132 | E | 90.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | trans | -79.2 | 136.8 | 175.8 | -66.8 | -177.7 | -156 | 0 | 0 | 110.7 | K127 A130 I134 | K127-E132 HydrophobicContact CB-CB 4.49Å; K127-E132 WeakPolarHBondContact O-CB 3.22Å; K127-E132 PolarHBondContact O-N 3.14Å; A130-E132 VanDerWaalsContact C-N 3.28Å; A130-E132 HydrophobicContact CB-CG 4.13Å; E132-I134 HydrophobicContact CB-CG2 4.28Å; E132-I134 PolarHBondContact O-N 2.82Å | ||
| 133 | E | 89.3 | Confident | 90.8 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | trans | -78.1 | 114.3 | 171.8 | -66.2 | -177.8 | 151.8 | 0 | 0 | 109.6 | M153 | E133-M153 HydrophobicContact CB-CB 3.99Å; E133-M153 HydrophobicContact CB-CE 3.89Å; E133-M153 HydrophobicContact CB-CG 4.49Å; E133-M153 HydrophobicContact CG-CE 4.41Å; E133-M153 PolarHBondContact O-N 2.93Å | ||
| 134 | I | 92.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145 | -179 | 67.2 | 179 | 0 | 0 | 0 | 111.9 | L92 I124 K127 E132 I136 I150 K151 | L92-I134 HydrophobicContact CB-CD1 4.41Å; L92-I134 HydrophobicContact CB-CG1 3.78Å; L92-I134 HydrophobicContact CD2-CD1 3.63Å; L92-I134 HydrophobicContact CD2-CG1 3.88Å; L92-I134 HydrophobicContact CG-CG1 4.5Å; L92-I134 PolarHBondContact N-O 3.41Å; I124-I134 HydrophobicContact CG2-CD1 4.35Å; K127-I134 HydrophobicContact CB-CD1 4.05Å; K127-I134 HydrophobicContact CB-CG2 3.89Å; K127-I134 HydrophobicContact CD-CG2 3.92Å; K127-I134 HydrophobicContact CG-CG2 4.46Å; E132-I134 HydrophobicContact CB-CG2 4.28Å; E132-I134 PolarHBondContact O-N 2.82Å; I134-I136 HydrophobicContact CD1-CD1 4.03Å; I134-I136 HydrophobicContact CG1-CD1 4.31Å; I134-I150 HydrophobicContact CB-CG2 4.2Å; I134-I150 HydrophobicContact CD1-CG2 4.12Å; I134-I150 HydrophobicContact CG2-CG2 4.47Å; I134-K151 CarbonylContact C-O 3.52Å; I134-K151 WeakPolarHBondContact CA-O 3.25Å |
| 135 | L | 92.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 59 Ų | 59 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130.1 | 169.6 | -64.2 | 167.9 | 0 | 0 | 0 | 109.3 | Y90 Q91 K151 M153 | Y90-L135 CarbonylContact O-C 3.53Å; Y90-L135 WeakPolarHBondContact O-CA 3.49Å; Q91-L135 HydrophobicContact CB-CD2 4.11Å; L135-K151 HydrophobicContact CB-CB 4.19Å; L135-K151 PolarHBondContact N-O 2.8Å; L135-K151 PolarHBondContact O-N 3.29Å; L135-M153 HydrophobicContact CD1-CG 3.84Å; L135-M153 HydrophobicContact CD1-SD 4.47Å; L135-M153 HydrophobicContact CD2-CG 4.01Å; L135-M153 HydrophobicContact CD2-SD 4.12Å; L135-M153 HydrophobicContact CG-CG 3.55Å; L135-M153 HydrophobicContact CG-SD 4.28Å |
| 136 | I | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.7 | 173.4 | -54.8 | -57.2 | 0 | 0 | 0 | 108.3 | Y90 L92 L100 L102 I124 I134 V138 A147 I150 | Y90-I136 PolarHBondContact N-O 3.47Å; Y90-I136 PolarHBondContact O-N 3.14Å; L92-I136 HydrophobicContact CB-CG1 4.1Å; L100-I136 HydrophobicContact CD1-CG2 4.49Å; L102-I136 HydrophobicContact CD2-CB 3.96Å; L102-I136 HydrophobicContact CD2-CG1 3.9Å; I124-I136 HydrophobicContact CD1-CD1 3.91Å; I124-I136 HydrophobicContact CG1-CD1 3.88Å; I134-I136 HydrophobicContact CD1-CD1 4.03Å; I134-I136 HydrophobicContact CG1-CD1 4.31Å; I136-V138 HydrophobicContact CG2-CG2 4.42Å; I136-V138 PolarHBondContact O-N 3.5Å; I136-A147 HydrophobicContact CG2-CB 3.67Å; I136-I150 HydrophobicContact CD1-CG1 4.17Å; I136-I150 HydrophobicContact CD1-CG2 4.3Å |
| 137 | T | 92.3 | Very high | 90.5 | Very high | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 114.1 | 171.2 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | R87 L88 D89 V148 A149 K151 | R87-T137 HydrophobicContact CB-CG2 4.21Å; L88-T137 CarbonylContact O-C 3.49Å; L88-T137 WeakPolarHBondContact O-CA 3.44Å; D89-T137 VanDerWaalsContact OD1-CB 3.29Å; D89-T137 WeakPolarHBondContact OD1-CB 3.49Å; D89-T137 WeakPolarHBondContact OD1-CG2 3.43Å; D89-T137 PolarHBondContact OD1-OG1 2.86Å; T137-V148 HydrophobicContact CG2-CG2 4.14Å; T137-V148 WeakPolarHBondContact O-CG2 3.34Å; T137-V148 PolarHBondContact O-N 2.77Å; T137-A149 PolarHBondContact N-O 3.5Å; T137-K151 WeakPolarHBondContact OG1-CE 3.45Å; T137-K151 PolarHBondContact OG1-NZ 2.79Å |
| 138 | V | 92.2 | Very high | 90.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.3 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | R87 L88 Y90 L102 L113 I136 E145 A146 | R87-V138 WeakPolarHBondContact CA-O 3.33Å; L88-V138 PolarHBondContact N-O 2.87Å; L88-V138 PolarHBondContact O-N 3.36Å; Y90-V138 HydrophobicContact CD2-CB 4.06Å; Y90-V138 HydrophobicContact CD2-CG2 3.57Å; Y90-V138 HydrophobicContact CE2-CB 3.7Å; Y90-V138 HydrophobicContact CE2-CG2 3.67Å; L102-V138 HydrophobicContact CD1-CG2 3.89Å; L113-V138 HydrophobicContact CD1-CB 4.25Å; L113-V138 HydrophobicContact CD1-CG1 3.69Å; L113-V138 HydrophobicContact CD1-CG2 3.52Å; L113-V138 HydrophobicContact CD2-CG1 4.42Å; I136-V138 HydrophobicContact CG2-CG2 4.42Å; I136-V138 PolarHBondContact O-N 3.5Å; V138-E145 HydrophobicContact CG1-CB 4.16Å; V138-A146 WeakPolarHBondContact CA-O 3.44Å |
| 139 | L | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.1 | 171.9 | -172 | 152.2 | 0 | 0 | 0 | 109.2 | I64 F65 I85 K86 R87 A141 E145 A146 V148 | I64-L139 HydrophobicContact CD1-CD1 4.47Å; I64-L139 HydrophobicContact CD1-CD2 3.47Å; I64-L139 VanDerWaalsContact CD1-CD2 3.47Å; I64-L139 HydrophobicContact CG1-CD2 4.19Å; F65-L139 HydrophobicContact CE1-CD2 3.81Å; F65-L139 HydrophobicContact CZ-CD2 3.68Å; I85-L139 HydrophobicContact CG2-CD1 3.9Å; I85-L139 HydrophobicContact CG2-CD2 4.09Å; I85-L139 HydrophobicContact CG2-CG 3.84Å; K86-L139 WeakPolarHBondContact O-CA 3.17Å; R87-L139 HydrophobicContact CG-CB 4.4Å; R87-L139 HydrophobicContact CG-CD1 4.24Å; R87-L139 HydrophobicContact CG-CG 4.2Å; L139-A141 HydrophobicContact CD2-CB 4.06Å; L139-E145 CarbonylContact O-C 3.57Å; L139-E145 VanDerWaalsContact O-CA 3.27Å; L139-E145 WeakPolarHBondContact O-CA 3.41Å; L139-A146 PolarHBondContact N-O 3.46Å; L139-A146 PolarHBondContact O-N 3.46Å; L139-V148 HydrophobicContact CB-CB 4.36Å; L139-V148 HydrophobicContact CB-CG1 3.67Å; L139-V148 HydrophobicContact CB-CG2 3.73Å; L139-V148 HydrophobicContact CD1-CG1 4.39Å; L139-V148 HydrophobicContact CD1-CG2 4.41Å |
| 140 | S | 91.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.2 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | K86 E144 E145 | K86-S140 PolarHBondContact N-O 3.03Å; K86-S140 PolarHBondContact O-N 3.04Å; S140-E144 WeakPolarHBondContact CA-O 3.48Å; S140-E145 WeakPolarHBondContact CB-OE1 3.25Å; S140-E145 WeakPolarHBondContact OG-CG 3.42Å; S140-E145 PolarHBondContact OG-OE1 3.13Å |
| 141 | A | 92.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 131.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P38 I64 F65 I85 L139 N143 E144 | P38-A141 HydrophobicContact CB-CB 4.25Å; P38-A141 HydrophobicContact CG-CB 4.29Å; I64-A141 HydrophobicContact CD1-CB 3.86Å; F65-A141 HydrophobicContact CE2-CB 3.96Å; F65-A141 HydrophobicContact CZ-CB 3.89Å; I85-A141 HydrophobicContact CD1-CB 3.35Å; L139-A141 HydrophobicContact CD2-CB 4.06Å; A141-N143 PolarHBondContact O-N 3.42Å; A141-N143 VanDerWaalsContact O-N 3.12Å; A141-E144 PolarHBondContact N-O 3.26Å; A141-E144 PolarHBondContact O-N 3.39Å |
| 142 | M | 87.5 | Confident | 90.5 | Very high | 54 Ų | 54 | 46 Ų | 46 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 37.8 | 175 | -59 | -177.6 | 69.3 | 0 | 0 | 114.8 | A17 T18 V33 P38 P83 E144 | A17-M142 HydrophobicContact CB-CG 4.47Å; T18-M142 HydrophobicContact CG2-CE 3.84Å; T18-M142 HydrophobicContact CG2-CG 4.1Å; T18-M142 HydrophobicContact CG2-SD 3.98Å; V33-M142 HydrophobicContact CB-SD 4.44Å; V33-M142 HydrophobicContact CG1-CE 4.02Å; V33-M142 HydrophobicContact CG1-SD 4.08Å; V33-M142 HydrophobicContact CG2-CE 4.1Å; V33-M142 HydrophobicContact CG2-SD 3.5Å; V33-M142 VanDerWaalsContact CG2-SD 3.5Å; P38-M142 HydrophobicContact CB-CG 4.48Å; P38-M142 HydrophobicContact CB-SD 4.02Å; P38-M142 HydrophobicContact CG-SD 4.31Å; P83-M142 HydrophobicContact CB-CG 3.89Å; P83-M142 HydrophobicContact CB-SD 4.05Å; M142-E144 VanDerWaalsContact C-N 3.32Å |
| 143 | N | 85.6 | Confident | 90 | Very high | 159 Ų | 159 | 44.5 Ų | 44.5 | 85% | 0.85 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 13.6 | -177.2 | -39.9 | -75.2 | 0 | 0 | 0 | 115.6 | A141 | A141-N143 PolarHBondContact O-N 3.42Å; A141-N143 VanDerWaalsContact O-N 3.12Å |
| 144 | E | 89 | Confident | 89 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.2 | 170.1 | -173.7 | 172 | -176.6 | 0 | 0 | 108.8 | R37 F65 S140 A141 M142 | R37-E144 IonicContact CZ-OE2 2.73Å; R37-E144 IonicContact NH2-OE1 2.63Å; R37-E144 IonicContact NH2-OE2 2.69Å; R37-E144 PolarHBondContact NH2-OE2 2.98Å; F65-E144 WeakPolarHBondContact CB-OE1 3.3Å; F65-E144 HydrophobicContact CD1-CG 4.08Å; F65-E144 HydrophobicContact CD2-CB 4.07Å; F65-E144 HydrophobicContact CD2-CG 3.7Å; F65-E144 VanDerWaalsContact CD2-OE2 3.25Å; F65-E144 WeakPolarHBondContact CD2-OE2 3.47Å; F65-E144 HydrophobicContact CE1-CG 4.1Å; F65-E144 HydrophobicContact CE2-CB 3.62Å; F65-E144 HydrophobicContact CE2-CG 3.71Å; F65-E144 VanDerWaalsContact CG-CD 3.49Å; F65-E144 HydrophobicContact CG-CG 3.88Å; F65-E144 WeakPolarHBondContact CG-OE1 3.42Å; F65-E144 HydrophobicContact CZ-CB 3.87Å; F65-E144 HydrophobicContact CZ-CG 3.92Å; F65-E144 VanDerWaalsContact CZ-O 3.23Å; F65-E144 WeakPolarHBondContact CZ-O 3.41Å; S140-E144 WeakPolarHBondContact CA-O 3.48Å; A141-E144 PolarHBondContact N-O 3.26Å; A141-E144 PolarHBondContact O-N 3.39Å; M142-E144 VanDerWaalsContact C-N 3.32Å |
| 145 | E | 90.9 | Very high | 87.1 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.7 | 178 | -55.6 | -156.8 | 152 | 0 | 0 | 110.8 | R110 L113 V138 L139 S140 | R110-E145 IonicContact CZ-OE2 3.82Å; R110-E145 VanDerWaalsContact CZ-OE2 3.27Å; R110-E145 IonicContact NH1-OE2 3.47Å; R110-E145 PolarHBondContact NH1-OE2 2.8Å; R110-E145 IonicContact NH2-OE2 2.97Å; R110-E145 PolarHBondContact NH2-OE2 3.24Å; L113-E145 HydrophobicContact CD2-CB 3.96Å; V138-E145 HydrophobicContact CG1-CB 4.16Å; L139-E145 CarbonylContact O-C 3.57Å; L139-E145 VanDerWaalsContact O-CA 3.27Å; L139-E145 WeakPolarHBondContact O-CA 3.41Å; S140-E145 WeakPolarHBondContact CB-OE1 3.25Å; S140-E145 WeakPolarHBondContact OG-CG 3.42Å; S140-E145 PolarHBondContact OG-OE1 3.13Å |
| 146 | A | 89.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 148.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F65 V138 L139 V148 | F65-A146 HydrophobicContact CD1-CB 3.59Å; F65-A146 HydrophobicContact CE1-CB 3.83Å; V138-A146 WeakPolarHBondContact CA-O 3.44Å; L139-A146 PolarHBondContact N-O 3.46Å; L139-A146 PolarHBondContact O-N 3.46Å; A146-V148 PolarHBondContact O-N 3.05Å |
| 147 | A | 90.1 | Very high | 86.5 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.6 | L100 P116 I136 | L100-A147 HydrophobicContact CD1-CB 4.48Å; P116-A147 HydrophobicContact CG-CB 4.16Å; I136-A147 HydrophobicContact CG2-CB 3.67Å |
| 148 | V | 90.1 | Very high | 86.2 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | -13.9 | -174.6 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | M120 T137 L139 A146 | M120-V148 WeakPolarHBondContact CE-O 3.3Å; T137-V148 HydrophobicContact CG2-CG2 4.14Å; T137-V148 WeakPolarHBondContact O-CG2 3.34Å; T137-V148 PolarHBondContact O-N 2.77Å; L139-V148 HydrophobicContact CB-CB 4.36Å; L139-V148 HydrophobicContact CB-CG1 3.67Å; L139-V148 HydrophobicContact CB-CG2 3.73Å; L139-V148 HydrophobicContact CD1-CG1 4.39Å; L139-V148 HydrophobicContact CD1-CG2 4.41Å; A146-V148 PolarHBondContact O-N 3.05Å |
| 149 | A | 89.8 | Confident | 85.9 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T137 | T137-A149 PolarHBondContact N-O 3.5Å |
| 150 | I | 91.2 | Very high | 85.5 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.9 | 172.6 | -51.2 | 164.1 | 0 | 0 | 0 | 106.9 | M120 E123 I124 K127 I134 I136 | M120-I150 HydrophobicContact CG-CD1 3.94Å; M120-I150 HydrophobicContact CG-CG1 4.25Å; E123-I150 HydrophobicContact CB-CD1 3.84Å; E123-I150 HydrophobicContact CG-CD1 3.85Å; I124-I150 HydrophobicContact CD1-CD1 4.34Å; I124-I150 HydrophobicContact CD1-CG1 4.32Å; I124-I150 HydrophobicContact CG1-CD1 3.49Å; I124-I150 VanDerWaalsContact CG1-CD1 3.49Å; I124-I150 HydrophobicContact CG1-CG1 3.78Å; K127-I150 HydrophobicContact CD-CG2 4.21Å; I134-I150 HydrophobicContact CB-CG2 4.2Å; I134-I150 HydrophobicContact CD1-CG2 4.12Å; I134-I150 HydrophobicContact CG2-CG2 4.47Å; I136-I150 HydrophobicContact CD1-CG1 4.17Å; I136-I150 HydrophobicContact CD1-CG2 4.3Å |
| 151 | K | 91.2 | Very high | 85 | Confident | 89 Ų | 89 | 73.8 Ų | 73.8 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142 | 173 | -62.7 | 168.1 | -179 | 163.4 | 0 | 108.3 | D89 I134 L135 T137 | D89-K151 IonicContact OD1-NZ 3.27Å; D89-K151 PolarHBondContact OD1-NZ 2.79Å; D89-K151 IonicContact OD2-NZ 2.86Å; D89-K151 PolarHBondContact OD2-NZ 2.79Å; I134-K151 CarbonylContact C-O 3.52Å; I134-K151 WeakPolarHBondContact CA-O 3.25Å; L135-K151 HydrophobicContact CB-CB 4.19Å; L135-K151 PolarHBondContact N-O 2.8Å; L135-K151 PolarHBondContact O-N 3.29Å; T137-K151 WeakPolarHBondContact OG1-CE 3.45Å; T137-K151 PolarHBondContact OG1-NZ 2.79Å |
| 152 | A | 87.3 | Confident | 84.5 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 55% | 0.554 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | A154 | A152-A154 PolarHBondContact O-N 3.48Å; A152-A154 VanDerWaalsContact O-N 3.17Å |
| 153 | M | 80.6 | Confident | 84.3 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | trans | -70.9 | 107.9 | 161.7 | -80.1 | -138.5 | -77 | 0 | 0 | 107.7 | Q91 E133 L135 K155 | Q91-M153 HydrophobicContact CG-CE 4.04Å; E133-M153 HydrophobicContact CB-CB 3.99Å; E133-M153 HydrophobicContact CB-CE 3.89Å; E133-M153 HydrophobicContact CB-CG 4.49Å; E133-M153 HydrophobicContact CG-CE 4.41Å; E133-M153 PolarHBondContact O-N 2.93Å; L135-M153 HydrophobicContact CD1-CG 3.84Å; L135-M153 HydrophobicContact CD1-SD 4.47Å; L135-M153 HydrophobicContact CD2-CG 4.01Å; L135-M153 HydrophobicContact CD2-SD 4.12Å; L135-M153 HydrophobicContact CG-CG 3.55Å; L135-M153 HydrophobicContact CG-SD 4.28Å; M153-K155 PolarHBondContact O-N 3.11Å | ||
| 154 | A | 67.1 | Low | 84.2 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 84% | 0.835 | 42% | 0.419 | S | S | * | . | trans | -67.9 | 122.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | A152 | A152-A154 PolarHBondContact O-N 3.48Å; A152-A154 VanDerWaalsContact O-N 3.17Å | ||
| 155 | K | 53.6 | Low | 83.8 | Confident | 269 Ų | 269 | 74.5 Ų | 74.5 | 100% | 1.17 | 43% | 0.426 | S | S | * | . | trans | -71.9 | 0 | 177.2 | -162.5 | 176.7 | -173.5 | 172.3 | 0 | 112.2 | M153 | M153-K155 PolarHBondContact O-N 3.11Š|
Retrieved 155 of 155 residues in 1100 ms
(Link to these results)