| 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 | 63.2 | Low | 80.4 | Confident | 188 Ų | 188 | 71.1 Ų | 71.1 | 93% | 0.926 | 41% | 0.41 | S | S | * | . | 0 | 122 | 0 | -64.8 | 156.3 | -169.4 | 0 | 0 | 107.3 | D16 | M1-D16 VanDerWaalsContact SD-OD2 3.4Š| |||
| 2 | S | 82.3 | Confident | 80.1 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | trans | -85.8 | 116.4 | 179.2 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | L | 85.5 | Confident | 80.4 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | trans | -71.8 | 140.2 | 175.2 | -63.6 | 167.3 | 0 | 0 | 0 | 110.4 | Q14 F15 D16 | L3-Q14 HydrophobicContact CB-CB 4.06Å; L3-Q14 HydrophobicContact CB-CG 4.49Å; L3-Q14 HydrophobicContact CD1-CB 4.31Å; L3-F15 WeakPolarHBondContact CA-O 3.33Å; L3-F15 VanDerWaalsContact CD2-C 3.47Å; L3-D16 HydrophobicContact CD2-CB 4.09Å | ||
| 4 | L | 85.4 | Confident | 80.8 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 36% | 0.356 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.5 | 173.6 | -67.6 | 170.8 | 0 | 0 | 0 | 109.9 | Q14 F15 P17 P54 | L4-Q14 CarbonylContact O-C 3.56Å; L4-Q14 VanDerWaalsContact O-CA 3.29Å; L4-Q14 WeakPolarHBondContact O-CA 3.34Å; L4-F15 HydrophobicContact CB-CD1 4.41Å; L4-F15 HydrophobicContact CB-CE1 3.89Å; L4-F15 HydrophobicContact CB-CE2 4.47Å; L4-F15 HydrophobicContact CB-CZ 3.96Å; L4-F15 PolarHBondContact N-O 3.1Å; L4-F15 WeakPolarHBondContact O-CD1 3.43Å; L4-F15 PolarHBondContact O-N 3.39Å; L4-P17 HydrophobicContact CD1-CB 3.92Å; L4-P17 HydrophobicContact CD1-CG 3.85Å; L4-P17 HydrophobicContact CG-CG 4.32Å; L4-P54 HydrophobicContact CD1-CB 3.8Å |
| 5 | N | 85.4 | Confident | 81 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.9 | 172.4 | -71.6 | -20 | 0 | 0 | 0 | 109.9 | Y7 Q14 | N5-Y7 WeakPolarHBondContact O-CD2 3.42Å; N5-Y7 WeakPolarHBondContact O-CE2 3.38Å; N5-Q14 WeakPolarHBondContact OD1-CG 3.43Å; N5-Q14 PolarHBondContact OD1-NE2 2.71Å; N5-Q14 VanDerWaalsContact OD1-NE2 3.11Å |
| 6 | C | 84.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 5% | 0.054 | 41% | 0.409 | C | S | . | . | trans | -78.7 | 126.3 | 172.8 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | N8 C11 Q13 F15 H52 N53 | C6-N8 PolarHBondContact SG-N 3.4Å; C6-C11 HydrophobicContact CB-CB 4.15Å; C6-C11 PolarHBondContact SG-SG 3.11Å; C6-Q13 VanDerWaalsContact CB-O 3.24Å; C6-Q13 WeakPolarHBondContact CB-O 3.38Å; C6-Q13 PolarHBondContact N-O 2.92Å; C6-F15 HydrophobicContact CB-CD1 3.96Å; C6-F15 HydrophobicContact CB-CE1 4.11Å; C6-H52 HydrophobicContact CB-CB 3.96Å; C6-H52 VanDerWaalsContact CB-ND1 3.34Å; C6-H52 WeakPolarHBondContact CB-ND1 3.48Å; C6-H52 VanDerWaalsContact SG-CA 3.59Å; C6-H52 PolarHBondContact SG-ND1 3.15Å; C6-N53 WeakPolarHBondContact CA-O 3.47Å; C6-N53 PolarHBondContact SG-N 3.27Å; C6-N53 VanDerWaalsContact SG-N 3.39Å | ||
| 7 | Y | 86.4 | Confident | 81.4 | Confident | 86 Ų | 86 | 69.8 Ų | 69.8 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | trans | -98.5 | 9 | 177.1 | -65.6 | -77.7 | 0 | 0 | 0 | 113.9 | N5 C9 N53 P54 N55 K56 | N5-Y7 WeakPolarHBondContact O-CD2 3.42Å; N5-Y7 WeakPolarHBondContact O-CE2 3.38Å; Y7-C9 PolarHBondContact O-N 3.15Å; Y7-N53 PolarHBondContact N-O 3.08Å; Y7-P54 WeakPolarHBondContact CD2-O 3.4Å; Y7-P54 WeakPolarHBondContact CE2-O 3.5Å; Y7-N55 WeakPolarHBondContact CB-O 3.49Å; Y7-K56 HydrophobicContact CD1-CB 3.95Å; Y7-K56 HydrophobicContact CD1-CG 3.86Å; Y7-K56 HydrophobicContact CD2-CB 4.07Å; Y7-K56 HydrophobicContact CE1-CB 3.67Å; Y7-K56 HydrophobicContact CE1-CD 3.82Å; Y7-K56 HydrophobicContact CE1-CG 3.49Å; Y7-K56 VanDerWaalsContact CE1-CG 3.49Å; Y7-K56 HydrophobicContact CE2-CB 3.77Å; Y7-K56 HydrophobicContact CG-CB 4.14Å | ||
| 8 | N | 82.7 | Confident | 81.5 | Confident | 28 Ų | 28 | 74 Ų | 74 | 15% | 0.15 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -63 | 134.6 | 166 | -69.7 | -25.5 | 0 | 0 | 0 | 109 | C6 G10 C11 N27 P51 N53 | C6-N8 PolarHBondContact SG-N 3.4Å; N8-G10 PolarHBondContact O-N 3.12Å; N8-C11 HydrophobicContact CB-CB 3.96Å; N8-C11 WeakPolarHBondContact O-CB 3.35Å; N8-C11 PolarHBondContact O-N 3.08Å; N8-N27 HydrophobicContact CB-CB 3.99Å; N8-N27 VanDerWaalsContact CG-ND2 3.32Å; N8-N27 VanDerWaalsContact ND2-CG 3.3Å; N8-N27 PolarHBondContact ND2-ND2 3.42Å; N8-N27 PolarHBondContact ND2-OD1 3.37Å; N8-N27 VanDerWaalsContact ND2-OD1 3.14Å; N8-P51 PolarHBondContact ND2-O 3.19Å; N8-N53 WeakPolarHBondContact OD1-CB 3.24Å |
| 9 | C | 75.4 | Confident | 81.4 | Confident | 69 Ų | 69 | 73.8 Ų | 73.8 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 129.8 | 179.8 | -153.7 | 0 | 0 | 0 | 0 | 109.7 | Y7 C11 S28 | Y7-C9 PolarHBondContact O-N 3.15Å; C9-C11 VanDerWaalsContact C-N 3.26Å; C9-C11 PolarHBondContact O-N 2.9Å; C9-S28 WeakPolarHBondContact CB-OG 3.05Å; C9-S28 PolarHBondContact O-N 2.93Å; C9-S28 PolarHBondContact O-OG 3.18Å; C9-S28 VanDerWaalsContact O-OG 3.07Å |
| 10 | G | 73.1 | Confident | 81.4 | Confident | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | N8 | N8-G10 PolarHBondContact O-N 3.12Š|
| 11 | C | 79.7 | Confident | 80.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -57.3 | -177.6 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | C6 N8 C9 Q13 H52 | C6-C11 HydrophobicContact CB-CB 4.15Å; C6-C11 PolarHBondContact SG-SG 3.11Å; N8-C11 HydrophobicContact CB-CB 3.96Å; N8-C11 WeakPolarHBondContact O-CB 3.35Å; N8-C11 PolarHBondContact O-N 3.08Å; C9-C11 VanDerWaalsContact C-N 3.26Å; C9-C11 PolarHBondContact O-N 2.9Å; C11-Q13 WeakPolarHBondContact O-CG 3.26Å; C11-Q13 PolarHBondContact O-N 3.11Å; C11-H52 PolarHBondContact SG-ND1 3.12Å; C11-H52 VanDerWaalsContact SG-ND1 3.42Å |
| 12 | G | 77.7 | Confident | 80.6 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 71% | 0.711 | 42% | 0.423 | S | S | * | . | trans | 61.4 | -4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 13 | Q | 83.1 | Confident | 79.3 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | trans | -80.3 | 151.9 | -176.3 | -66.7 | -164.1 | -9.3 | 0 | 0 | 112.6 | C6 C11 | C6-Q13 VanDerWaalsContact CB-O 3.24Å; C6-Q13 WeakPolarHBondContact CB-O 3.38Å; C6-Q13 PolarHBondContact N-O 2.92Å; C11-Q13 WeakPolarHBondContact O-CG 3.26Å; C11-Q13 PolarHBondContact O-N 3.11Å | ||
| 14 | Q | 86.7 | Confident | 78 | Confident | 117 Ų | 117 | 75 Ų | 75 | 55% | 0.547 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.1 | 165 | -82.4 | -177.5 | -11.5 | 0 | 0 | 110 | L3 L4 N5 | L3-Q14 HydrophobicContact CB-CB 4.06Å; L3-Q14 HydrophobicContact CB-CG 4.49Å; L3-Q14 HydrophobicContact CD1-CB 4.31Å; L4-Q14 CarbonylContact O-C 3.56Å; L4-Q14 VanDerWaalsContact O-CA 3.29Å; L4-Q14 WeakPolarHBondContact O-CA 3.34Å; N5-Q14 WeakPolarHBondContact OD1-CG 3.43Å; N5-Q14 PolarHBondContact OD1-NE2 2.71Å; N5-Q14 VanDerWaalsContact OD1-NE2 3.11Å |
| 15 | F | 84.2 | Confident | 76.6 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 4% | 0.039 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.6 | -177.4 | 71.6 | -85.2 | 0 | 0 | 0 | 111.6 | L3 L4 C6 P17 N20 H52 P54 | L3-F15 WeakPolarHBondContact CA-O 3.33Å; L3-F15 VanDerWaalsContact CD2-C 3.47Å; L4-F15 HydrophobicContact CB-CD1 4.41Å; L4-F15 HydrophobicContact CB-CE1 3.89Å; L4-F15 HydrophobicContact CB-CE2 4.47Å; L4-F15 HydrophobicContact CB-CZ 3.96Å; L4-F15 PolarHBondContact N-O 3.1Å; L4-F15 WeakPolarHBondContact O-CD1 3.43Å; L4-F15 PolarHBondContact O-N 3.39Å; C6-F15 HydrophobicContact CB-CD1 3.96Å; C6-F15 HydrophobicContact CB-CE1 4.11Å; F15-P17 HydrophobicContact CE2-CB 4.41Å; F15-P17 WeakPolarHBondContact O-CD 3.49Å; F15-N20 HydrophobicContact CD2-CB 3.73Å; F15-N20 HydrophobicContact CE2-CB 3.89Å; F15-N20 VanDerWaalsContact CE2-ND2 3.27Å; F15-N20 WeakPolarHBondContact CE2-ND2 3.34Å; F15-H52 HydrophobicContact CB-CB 4.06Å; F15-H52 WeakPolarHBondContact CB-CD2 3.29Å; F15-H52 WeakPolarHBondContact CB-NE2 3.14Å; F15-H52 HydrophobicContact CD1-CB 3.25Å; F15-H52 AromaticContact CD1-CG 3.59Å; F15-H52 AromaticContact CD1-ND1 3.92Å; F15-H52 HydrophobicContact CD2-CB 3.69Å; F15-H52 HydrophobicContact CE1-CB 3.41Å; F15-H52 VanDerWaalsContact CE1-CB 3.41Å; F15-H52 HydrophobicContact CE2-CB 3.82Å; F15-H52 HydrophobicContact CG-CB 3.38Å; F15-H52 AromaticContact CG-CD2 3.64Å; F15-H52 AromaticContact CG-CG 3.5Å; F15-H52 VanDerWaalsContact CG-CG 3.5Å; F15-H52 HydrophobicContact CZ-CB 3.66Å; F15-P54 HydrophobicContact CZ-CB 3.79Å; F15-P54 HydrophobicContact CZ-CG 4.23Å |
| 16 | D | 84.8 | Confident | 75.1 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.203 | 41% | 0.406 | C | S | . | . | trans | -82.4 | 116.8 | 171.6 | -172.7 | -19.6 | 0 | 0 | 0 | 108.9 | M1 L3 E18 A19 N20 | M1-D16 VanDerWaalsContact SD-OD2 3.4Å; L3-D16 HydrophobicContact CD2-CB 4.09Å; D16-E18 PolarHBondContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 3.02Å; D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact O-N 3.49Å; D16-A19 VanDerWaalsContact O-N 3.12Å; D16-N20 PolarHBondContact O-N 3.24Å; D16-N20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | P | 82.8 | Confident | 73.5 | Confident | 56 Ų | 56 | 71.6 Ų | 71.6 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.4 | 178.7 | 20.1 | -29.4 | 0 | 0 | 0 | 113.6 | L4 F15 | L4-P17 HydrophobicContact CD1-CB 3.92Å; L4-P17 HydrophobicContact CD1-CG 3.85Å; L4-P17 HydrophobicContact CG-CG 4.32Å; F15-P17 HydrophobicContact CE2-CB 4.41Å; F15-P17 WeakPolarHBondContact O-CD 3.49Å |
| 18 | E | 83.4 | Confident | 71.6 | Confident | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -31.9 | 178.1 | -63.5 | -170.9 | 164.7 | 0 | 0 | 112.5 | D16 | D16-E18 PolarHBondContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 3.02Å |
| 19 | A | 80.7 | Confident | 70.1 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 59% | 0.587 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -4.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D16 K21 | D16-A19 HydrophobicContact CB-CB 4.06Å; D16-A19 PolarHBondContact O-N 3.49Å; D16-A19 VanDerWaalsContact O-N 3.12Å; A19-K21 PolarHBondContact O-N 3.13Å |
| 20 | N | 81.2 | Confident | 68.5 | Low | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.193 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 45.2 | -178.1 | -167.8 | 31.1 | 0 | 0 | 0 | 113.4 | F15 D16 H52 | F15-N20 HydrophobicContact CD2-CB 3.73Å; F15-N20 HydrophobicContact CE2-CB 3.89Å; F15-N20 VanDerWaalsContact CE2-ND2 3.27Å; F15-N20 WeakPolarHBondContact CE2-ND2 3.34Å; D16-N20 PolarHBondContact O-N 3.24Å; D16-N20 VanDerWaalsContact O-N 3.08Å; N20-H52 PolarHBondContact ND2-O 3.23Å; N20-H52 PolarHBondContact OD1-N 3.47Å |
| 21 | K | 67.8 | Low | 66.9 | Low | 172 Ų | 172 | 81 Ų | 81 | 75% | 0.748 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -19.7 | -179.3 | -66 | -173.8 | -179 | 177.5 | 0 | 113.6 | A19 | A19-K21 PolarHBondContact O-N 3.13Š|
| 22 | D | 59.4 | Low | 65.1 | Low | 128 Ų | 128 | 85.6 Ų | 85.6 | 68% | 0.684 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -112.4 | 15.5 | -163.4 | -61.1 | -28.5 | 0 | 0 | 0 | 116 | K24 | D22-K24 PolarHBondContact O-N 2.6Š|
| 23 | G | 55.6 | Low | 63.5 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | trans | 60.3 | 33.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 24 | K | 57.2 | Low | 61.2 | Low | 182 Ų | 182 | 86.5 Ų | 86.5 | 79% | 0.791 | 48% | 0.481 | S | S | * | . | trans | -92.4 | 1.9 | -173.5 | -72.2 | -174.2 | -177.5 | 172.7 | 0 | 116.6 | D22 | D22-K24 PolarHBondContact O-N 2.6Š| ||
| 25 | T | 56.9 | Low | 58.8 | Low | 19 Ų | 19 | 87.8 Ų | 87.8 | 12% | 0.117 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.8 | -172.7 | 47.9 | 0 | 0 | 0 | 0 | 115.5 | N27 K49 G50 H52 | T25-N27 PolarHBondContact O-OD1 3.28Å; T25-K49 CarbonylContact O-C 3.55Å; T25-K49 VanDerWaalsContact O-CA 3.22Å; T25-K49 WeakPolarHBondContact O-CA 3.48Å; T25-G50 PolarHBondContact N-O 3.45Å; T25-G50 PolarHBondContact O-N 3.3Å; T25-G50 PolarHBondContact OG1-O 2.87Å; T25-H52 WeakPolarHBondContact CG2-CE1 3.08Å; T25-H52 WeakPolarHBondContact CG2-NE2 3.3Å |
| 26 | A | 52.8 | Low | 56.5 | Low | 41 Ų | 41 | 92.3 Ų | 92.3 | 34% | 0.339 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T48 | A26-T48 CarbonylContact C-O 3.47Å; A26-T48 WeakPolarHBondContact CA-O 3.39Å |
| 27 | N | 52.2 | Low | 54.2 | Low | 22 Ų | 22 | 97.8 Ų | 97.8 | 12% | 0.118 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.5 | -179.4 | -46.9 | -15.6 | 0 | 0 | 0 | 108.4 | N8 T25 G46 C47 T48 | N8-N27 HydrophobicContact CB-CB 3.99Å; N8-N27 VanDerWaalsContact CG-ND2 3.32Å; N8-N27 VanDerWaalsContact ND2-CG 3.3Å; N8-N27 PolarHBondContact ND2-ND2 3.42Å; N8-N27 PolarHBondContact ND2-OD1 3.37Å; N8-N27 VanDerWaalsContact ND2-OD1 3.14Å; T25-N27 PolarHBondContact O-OD1 3.28Å; N27-G46 CarbonylContact O-C 3.39Å; N27-G46 VanDerWaalsContact O-C 3.29Å; N27-G46 VanDerWaalsContact O-CA 3.23Å; N27-G46 WeakPolarHBondContact O-CA 3.33Å; N27-C47 PolarHBondContact O-N 3.47Å; N27-T48 PolarHBondContact N-O 3.19Å; N27-T48 PolarHBondContact O-N 3.5Å; N27-T48 PolarHBondContact O-OG1 3.29Å |
| 28 | S | 46.6 | Very low | 52 | Low | 30 Ų | 30 | 105 Ų | 105 | 21% | 0.21 | 58% | 0.582 | C | S | . | * | trans | -81.5 | 130.1 | 170.9 | 59 | 0 | 0 | 0 | 0 | 110 | C9 E30 | C9-S28 WeakPolarHBondContact CB-OG 3.05Å; C9-S28 PolarHBondContact O-N 2.93Å; C9-S28 PolarHBondContact O-OG 3.18Å; C9-S28 VanDerWaalsContact O-OG 3.07Å; S28-E30 VanDerWaalsContact C-N 3.32Å | ||
| 29 | N | 50 | Low | 50 | Low | 120 Ų | 120 | 102.4 Ų | 102.4 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | trans | -88.9 | 11 | 178.2 | -106.3 | 3.6 | 0 | 0 | 0 | 114 | T48 | N29-T48 WeakPolarHBondContact ND2-CG2 3.27Š| ||
| 30 | E | 43.1 | Very low | 48.3 | Very low | 151 Ų | 151 | 105.7 Ų | 105.7 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | trans | -100.3 | 121.4 | 177.7 | -78.1 | -170.3 | 134.1 | 0 | 0 | 111.8 | S28 V32 | S28-E30 VanDerWaalsContact C-N 3.32Å; E30-V32 HydrophobicContact CB-CG2 4.42Å; E30-V32 PolarHBondContact O-N 2.9Å | ||
| 31 | T | 39.1 | Very low | 46.7 | Very low | 132 Ų | 132 | 107.3 Ų | 107.3 | 81% | 0.81 | 61% | 0.609 | S | S | * | * | trans | -57.9 | 81.9 | 158.4 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | I33 | T31-I33 PolarHBondContact O-N 2.88Š| ||
| 32 | V | 41.2 | Very low | 45.9 | Very low | 114 Ų | 114 | 106.3 Ų | 106.3 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | trans | -73.3 | 103.9 | 167.6 | -177 | 0 | 0 | 0 | 0 | 106.5 | E30 G34 | E30-V32 HydrophobicContact CB-CG2 4.42Å; E30-V32 PolarHBondContact O-N 2.9Å; V32-G34 PolarHBondContact O-N 3.3Å; V32-G34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | I | 44.6 | Very low | 45.7 | Very low | 147 Ų | 147 | 108 Ų | 108 | 75% | 0.754 | 62% | 0.619 | S | S | * | * | trans | -47 | 116.1 | 172 | -55.3 | 165.4 | 0 | 0 | 0 | 107.3 | T31 L35 | T31-I33 PolarHBondContact O-N 2.88Å; I33-L35 PolarHBondContact O-N 3.2Å | ||
| 34 | G | 34.6 | Very low | 46.2 | Very low | 56 Ų | 56 | 112.5 Ų | 112.5 | 58% | 0.577 | 64% | 0.635 | S | S | * | * | trans | -57 | 105.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113 | V32 | V32-G34 PolarHBondContact O-N 3.3Å; V32-G34 VanDerWaalsContact O-N 3.1Å | ||
| 35 | L | 37.1 | Very low | 46.3 | Very low | 143 Ų | 143 | 109 Ų | 109 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | trans | -110.4 | 103.5 | 155.3 | -77.2 | 168 | 0 | 0 | 0 | 106.7 | I33 F37 | I33-L35 PolarHBondContact O-N 3.2Å; L35-F37 VanDerWaalsContact C-N 3.26Å; L35-F37 HydrophobicContact CB-CD2 4.11Å; L35-F37 HydrophobicContact CB-CE2 4.44Å; L35-F37 HydrophobicContact CD2-CE2 4.34Å; L35-F37 PolarHBondContact O-N 2.87Å | ||
| 36 | A | 36.2 | Very low | 46.5 | Very low | 105 Ų | 105 | 108.9 Ų | 108.9 | 87% | 0.868 | 63% | 0.633 | S | S | * | * | trans | -65.8 | 91 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 37 | F | 35.8 | Very low | 47.4 | Very low | 153 Ų | 153 | 112 Ų | 112 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | -117.9 | 115.7 | 158.7 | -78.8 | -84.4 | 0 | 0 | 0 | 107 | L35 T39 | L35-F37 VanDerWaalsContact C-N 3.26Å; L35-F37 HydrophobicContact CB-CD2 4.11Å; L35-F37 HydrophobicContact CB-CE2 4.44Å; L35-F37 HydrophobicContact CD2-CE2 4.34Å; L35-F37 PolarHBondContact O-N 2.87Å; F37-T39 PolarHBondContact O-N 2.8Å | ||
| 38 | Q | 35.8 | Very low | 48.3 | Very low | 208 Ų | 208 | 113 Ų | 113 | 97% | 0.972 | 66% | 0.658 | S | S | * | * | trans | -66.9 | 74 | 161.2 | -77.7 | 162.3 | -23.3 | 0 | 0 | 107.7 | ||||
| 39 | T | 42.5 | Very low | 49.7 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 56% | 0.558 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -110.1 | 152.6 | 154.1 | 47.9 | 0 | 0 | 0 | 0 | 106.1 | F37 A41 | F37-T39 PolarHBondContact O-N 2.8Å; T39-A41 PolarHBondContact O-N 2.85Å |
| 40 | P | 45.1 | Very low | 51.1 | Low | 139 Ų | 139 | 114.8 Ų | 114.8 | 90% | 0.903 | 66% | 0.659 | S | S | * | * | trans | -64.9 | 75.9 | 162 | 28.2 | -30.4 | 0 | 0 | 0 | 106.7 | L42 | P40-L42 PolarHBondContact O-N 2.89Š| ||
| 41 | A | 47.3 | Very low | 53.1 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | trans | -60.8 | 122.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | T39 I43 | T39-A41 PolarHBondContact O-N 2.85Å; A41-I43 PolarHBondContact O-N 2.83Å; A41-I43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | L | 50.9 | Low | 55.2 | Low | 151 Ų | 151 | 106 Ų | 106 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | -20.6 | 116.9 | 166.5 | -79.4 | 116.8 | 0 | 0 | 0 | 110.6 | P40 I44 | P40-L42 PolarHBondContact O-N 2.89Å; L42-I44 HydrophobicContact CB-CG1 4.05Å; L42-I44 PolarHBondContact O-N 3.32Å | ||
| 43 | I | 55.5 | Low | 57.3 | Low | 164 Ų | 164 | 103.1 Ų | 103.1 | 84% | 0.841 | 60% | 0.596 | S | S | * | * | trans | -67.6 | 85 | 167.2 | -59 | 171.3 | 0 | 0 | 0 | 105.1 | A41 P45 | A41-I43 PolarHBondContact O-N 2.83Å; A41-I43 VanDerWaalsContact O-N 3.15Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å | ||
| 44 | I | 64.8 | Low | 59.3 | Low | 125 Ų | 125 | 98.7 Ų | 98.7 | 64% | 0.641 | 58% | 0.577 | S | S | * | * | trans | -72 | 115.5 | 173.3 | -59.4 | 171.6 | 0 | 0 | 0 | 105.2 | L42 G46 | L42-I44 HydrophobicContact CB-CG1 4.05Å; L42-I44 PolarHBondContact O-N 3.32Å; I44-G46 PolarHBondContact O-N 3.33Å | ||
| 45 | P | 59.2 | Low | 61.8 | Low | 109 Ų | 109 | 101.5 Ų | 101.5 | 71% | 0.708 | 58% | 0.579 | S | S | * | * | trans | -60 | 131.8 | 179.1 | 22.7 | -30.6 | 0 | 0 | 0 | 109.4 | I43 | I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.11Å | ||
| 46 | G | 62.3 | Low | 64.1 | Low | 16 Ų | 16 | 101.8 Ų | 101.8 | 17% | 0.165 | 57% | 0.574 | C | S | . | * | trans | -58.3 | 142.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N27 I44 | N27-G46 CarbonylContact O-C 3.39Å; N27-G46 VanDerWaalsContact O-C 3.29Å; N27-G46 VanDerWaalsContact O-CA 3.23Å; N27-G46 WeakPolarHBondContact O-CA 3.33Å; I44-G46 PolarHBondContact O-N 3.33Å | ||
| 47 | C | 71.2 | Confident | 66.1 | Low | 106 Ų | 106 | 101 Ų | 101 | 72% | 0.716 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -86.8 | -10.6 | -177.8 | 58 | 0 | 0 | 0 | 0 | 114.5 | N27 | N27-C47 PolarHBondContact O-N 3.47Š|
| 48 | T | 71.3 | Confident | 68.2 | Low | 44 Ų | 44 | 102.7 Ų | 102.7 | 27% | 0.27 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.7 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | A26 N27 N29 | A26-T48 CarbonylContact C-O 3.47Å; A26-T48 WeakPolarHBondContact CA-O 3.39Å; N27-T48 PolarHBondContact N-O 3.19Å; N27-T48 PolarHBondContact O-N 3.5Å; N27-T48 PolarHBondContact O-OG1 3.29Å; N29-T48 WeakPolarHBondContact ND2-CG2 3.27Å |
| 49 | K | 76.4 | Confident | 69.9 | Low | 174 Ų | 174 | 101.7 Ų | 101.7 | 76% | 0.757 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.5 | 173.2 | -66.1 | -179.1 | -176.3 | 177 | 0 | 110 | T25 | T25-K49 CarbonylContact O-C 3.55Å; T25-K49 VanDerWaalsContact O-CA 3.22Å; T25-K49 WeakPolarHBondContact O-CA 3.48Å |
| 50 | G | 79.8 | Confident | 71.2 | Confident | 12 Ų | 12 | 106.1 Ų | 106.1 | 12% | 0.124 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -166.2 | 174.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | T25 | T25-G50 PolarHBondContact N-O 3.45Å; T25-G50 PolarHBondContact O-N 3.3Å; T25-G50 PolarHBondContact OG1-O 2.87Å |
| 51 | P | 83.6 | Confident | 72.4 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | trans | -64.2 | 153.5 | 172.6 | 27.6 | -32.9 | 0 | 0 | 0 | 110.3 | N8 | N8-P51 PolarHBondContact ND2-O 3.19Š| ||
| 52 | H | 83.3 | Confident | 73 | Confident | 26 Ų | 26 | 114.2 Ų | 114.2 | 12% | 0.12 | 59% | 0.585 | C | S | . | * | trans | -64.7 | 145.2 | 174.1 | -64.9 | -91.4 | 0 | 0 | 0 | 110.7 | C6 C11 F15 N20 T25 | C6-H52 HydrophobicContact CB-CB 3.96Å; C6-H52 VanDerWaalsContact CB-ND1 3.34Å; C6-H52 WeakPolarHBondContact CB-ND1 3.48Å; C6-H52 VanDerWaalsContact SG-CA 3.59Å; C6-H52 PolarHBondContact SG-ND1 3.15Å; C11-H52 PolarHBondContact SG-ND1 3.12Å; C11-H52 VanDerWaalsContact SG-ND1 3.42Å; F15-H52 HydrophobicContact CB-CB 4.06Å; F15-H52 WeakPolarHBondContact CB-CD2 3.29Å; F15-H52 WeakPolarHBondContact CB-NE2 3.14Å; F15-H52 HydrophobicContact CD1-CB 3.25Å; F15-H52 AromaticContact CD1-CG 3.59Å; F15-H52 AromaticContact CD1-ND1 3.92Å; F15-H52 HydrophobicContact CD2-CB 3.69Å; F15-H52 HydrophobicContact CE1-CB 3.41Å; F15-H52 VanDerWaalsContact CE1-CB 3.41Å; F15-H52 HydrophobicContact CE2-CB 3.82Å; F15-H52 HydrophobicContact CG-CB 3.38Å; F15-H52 AromaticContact CG-CD2 3.64Å; F15-H52 AromaticContact CG-CG 3.5Å; F15-H52 VanDerWaalsContact CG-CG 3.5Å; F15-H52 HydrophobicContact CZ-CB 3.66Å; N20-H52 PolarHBondContact ND2-O 3.23Å; N20-H52 PolarHBondContact OD1-N 3.47Å; T25-H52 WeakPolarHBondContact CG2-CE1 3.08Å; T25-H52 WeakPolarHBondContact CG2-NE2 3.3Å | ||
| 53 | N | 85.9 | Confident | 73.5 | Confident | 52 Ų | 52 | 113 Ų | 113 | 28% | 0.278 | 59% | 0.586 | S | S | . | * | trans | -101.7 | 115.1 | 177.1 | -179.8 | 9.9 | 0 | 0 | 0 | 110.6 | C6 Y7 N8 N55 | C6-N53 WeakPolarHBondContact CA-O 3.47Å; C6-N53 PolarHBondContact SG-N 3.27Å; C6-N53 VanDerWaalsContact SG-N 3.39Å; Y7-N53 PolarHBondContact N-O 3.08Å; N8-N53 WeakPolarHBondContact OD1-CB 3.24Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact ND2-O 3.49Å; N53-N55 PolarHBondContact O-N 3.48Å; N53-N55 VanDerWaalsContact OD1-CB 3.31Å; N53-N55 WeakPolarHBondContact OD1-CB 3.49Å; N53-N55 PolarHBondContact OD1-N 2.86Å | ||
| 54 | P | 87.2 | Confident | 73.5 | Confident | 55 Ų | 55 | 115.2 Ų | 115.2 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | trans | -76.5 | -11.9 | 175.5 | 28.1 | -30.6 | 0 | 0 | 0 | 113.8 | L4 Y7 F15 | L4-P54 HydrophobicContact CD1-CB 3.8Å; Y7-P54 WeakPolarHBondContact CD2-O 3.4Å; Y7-P54 WeakPolarHBondContact CE2-O 3.5Å; F15-P54 HydrophobicContact CZ-CB 3.79Å; F15-P54 HydrophobicContact CZ-CG 4.23Å | ||
| 55 | N | 85.9 | Confident | 73.5 | Confident | 115 Ų | 115 | 113.9 Ų | 113.9 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | trans | -89.6 | 113.4 | -172.4 | -61 | -39.5 | 0 | 0 | 0 | 111.4 | Y7 N53 | Y7-N55 WeakPolarHBondContact CB-O 3.49Å; N53-N55 VanDerWaalsContact C-N 3.28Å; N53-N55 PolarHBondContact ND2-O 3.49Å; N53-N55 PolarHBondContact O-N 3.48Å; N53-N55 VanDerWaalsContact OD1-CB 3.31Å; N53-N55 WeakPolarHBondContact OD1-CB 3.49Å; N53-N55 PolarHBondContact OD1-N 2.86Å | ||
| 56 | K | 85.2 | Confident | 73.6 | Confident | 148 Ų | 148 | 114.5 Ų | 114.5 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.6 | 174 | -171.6 | 170.8 | -176.3 | 176.8 | 0 | 110 | Y7 E58 | Y7-K56 HydrophobicContact CD1-CB 3.95Å; Y7-K56 HydrophobicContact CD1-CG 3.86Å; Y7-K56 HydrophobicContact CD2-CB 4.07Å; Y7-K56 HydrophobicContact CE1-CB 3.67Å; Y7-K56 HydrophobicContact CE1-CD 3.82Å; Y7-K56 HydrophobicContact CE1-CG 3.49Å; Y7-K56 VanDerWaalsContact CE1-CG 3.49Å; Y7-K56 HydrophobicContact CE2-CB 3.77Å; Y7-K56 HydrophobicContact CG-CB 4.14Å; K56-E58 PolarHBondContact O-N 3.48Å |
| 57 | P | 79.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 121.8 Ų | 121.8 | 58% | 0.584 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.2 | 176.1 | 21.8 | -30.6 | 0 | 0 | 0 | 110.5 | K59 | P57-K59 PolarHBondContact O-N 3.47Š|
| 58 | E | 78.5 | Confident | 72.8 | Confident | 188 Ų | 188 | 121.2 Ų | 121.2 | 88% | 0.879 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 130.4 | 175.6 | -168.6 | 148.5 | -167.8 | 0 | 0 | 109.3 | K56 E60 | K56-E58 PolarHBondContact O-N 3.48Å; E58-E60 PolarHBondContact O-N 2.86Å; E58-E60 VanDerWaalsContact O-N 3.15Å |
| 59 | K | 72.3 | Confident | 72.3 | Confident | 187 Ų | 187 | 126.9 Ų | 126.9 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | trans | -68.5 | 115.4 | 177.9 | -84 | -175.9 | 175.6 | -178.4 | 0 | 108.4 | P57 K61 | P57-K59 PolarHBondContact O-N 3.47Å; K59-K61 PolarHBondContact O-N 2.97Å | ||
| 60 | E | 70.7 | Confident | 71.3 | Confident | 184 Ų | 184 | 126.4 Ų | 126.4 | 86% | 0.86 | 63% | 0.631 | S | S | * | * | trans | -54 | 124.9 | 166.5 | -72.4 | -175.4 | 165.7 | 0 | 0 | 109.6 | E58 K62 | E58-E60 PolarHBondContact O-N 2.86Å; E58-E60 VanDerWaalsContact O-N 3.15Å; E60-K62 PolarHBondContact O-N 3.39Å | ||
| 61 | K | 69.3 | Low | 70.3 | Confident | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 66% | 0.663 | S | S | * | * | trans | -71.3 | 100.8 | 171.2 | -67.9 | 178.8 | -177.1 | 173.8 | 0 | 107.1 | K59 | K59-K61 PolarHBondContact O-N 2.97Š| ||
| 62 | K | 60.9 | Low | 69.3 | Low | 173 Ų | 173 | 135 Ų | 135 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 131.2 | 171.9 | -72 | -173.2 | 178.1 | -175 | 0 | 108.8 | E60 R64 | E60-K62 PolarHBondContact O-N 3.39Å; K62-R64 PolarHBondContact O-N 3.48Å |
| 63 | P | 60.6 | Low | 68.2 | Low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.6 | 172.6 | 20.9 | -29.3 | 0 | 0 | 0 | 108.8 | S65 | P63-S65 PolarHBondContact O-N 3.45Š|
| 64 | R | 56 | Low | 67.2 | Low | 210 Ų | 210 | 138.3 Ų | 138.3 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.9 | 176.6 | -144.6 | 178.1 | -169.2 | -171 | 5.3 | 106.8 | K62 | K62-R64 PolarHBondContact O-N 3.48Š|
| 65 | S | 63.6 | Low | 66.2 | Low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.6 | 169.6 | 27.1 | 0 | 0 | 0 | 0 | 109.4 | P63 K67 | P63-S65 PolarHBondContact O-N 3.45Å; S65-K67 PolarHBondContact O-N 2.84Å |
| 66 | P | 61.4 | Low | 65.2 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 129.7 | 175.7 | -22.2 | 31.3 | 0 | 0 | 0 | 109.5 | L68 | P66-L68 PolarHBondContact O-N 3.46Š|
| 67 | K | 56 | Low | 64.2 | Low | 168 Ų | 168 | 138.7 Ų | 138.7 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | trans | -67.7 | 115.8 | 168.3 | -77.2 | -177.1 | 174.6 | -174.2 | 0 | 106.7 | S65 | S65-K67 PolarHBondContact O-N 2.84Š| ||
| 68 | L | 60.6 | Low | 63.2 | Low | 94 Ų | 94 | 138 Ų | 138 | 49% | 0.492 | 68% | 0.682 | S | S | . | * | trans | -60.7 | 136 | 163.8 | -67.4 | 162.6 | 0 | 0 | 0 | 107.6 | P66 E72 I74 | P66-L68 PolarHBondContact O-N 3.46Å; L68-E72 VanDerWaalsContact CD2-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD2-OE2 3.35Å; L68-I74 HydrophobicContact CD1-CD1 3.83Å | ||
| 69 | E | 60.7 | Low | 62.2 | Low | 163 Ų | 163 | 134 Ų | 134 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -63.9 | 145.7 | 178.6 | -66.3 | -165 | 168.8 | 0 | 0 | 109.9 | N71 E72 | E69-N71 PolarHBondContact O-N 3.18Å; E69-E72 PolarHBondContact O-N 2.77Å | ||
| 70 | E | 57.1 | Low | 61.5 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -7.7 | -167.4 | -153.1 | 164.4 | -166.4 | 0 | 0 | 114.3 | ||
| 71 | N | 58.4 | Low | 60.9 | Low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 10.7 | -178.2 | -63.5 | -43.9 | 0 | 0 | 0 | 114.4 | E69 V73 | E69-N71 PolarHBondContact O-N 3.18Å; N71-V73 PolarHBondContact O-N 3.2Å; N71-V73 VanDerWaalsContact O-N 3.15Å |
| 72 | E | 61.7 | Low | 60.3 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 54% | 0.542 | 67% | 0.665 | S | S | . | * | trans | -76.8 | 104.2 | 178.5 | -163.9 | 174.3 | -177.8 | 0 | 0 | 110.7 | L68 E69 I74 | L68-E72 VanDerWaalsContact CD2-OE2 3.24Å; L68-E72 WeakPolarHBondContact CD2-OE2 3.35Å; E69-E72 PolarHBondContact O-N 2.77Å; E72-I74 PolarHBondContact O-N 3.42Å | ||
| 73 | V | 60.7 | Low | 60.2 | Low | 88 Ų | 88 | 123.4 Ų | 123.4 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | trans | -76.7 | 102.3 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | N71 T75 K171 | N71-V73 PolarHBondContact O-N 3.2Å; N71-V73 VanDerWaalsContact O-N 3.15Å; V73-T75 PolarHBondContact O-N 3.22Å; V73-K171 HydrophobicContact CG1-CB 4.26Å; V73-K171 HydrophobicContact CG1-CG 4.07Å | ||
| 74 | I | 64.4 | Low | 60.1 | Low | 58 Ų | 58 | 126.1 Ų | 126.1 | 30% | 0.297 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 109 | 171.3 | -57.5 | 172.5 | 0 | 0 | 0 | 107.9 | L68 E72 Y76 G172 | L68-I74 HydrophobicContact CD1-CD1 3.83Å; E72-I74 PolarHBondContact O-N 3.42Å; I74-Y76 PolarHBondContact O-N 3.05Å; I74-G172 PolarHBondContact O-N 2.73Å |
| 75 | T | 67.2 | Low | 60.4 | Low | 112 Ų | 112 | 124.8 Ų | 124.8 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.8 | 115 | 170.2 | -25.8 | 0 | 0 | 0 | 0 | 108.3 | V73 | V73-T75 PolarHBondContact O-N 3.22Å |
| 76 | Y | 63.7 | Low | 60.2 | Low | 45 Ų | 45 | 121.6 Ų | 121.6 | 18% | 0.176 | 64% | 0.638 | C | S | . | * | trans | -96.7 | 127.3 | -179 | 178.7 | -108.1 | 0 | 0 | 0 | 111.8 | I74 T78 L163 Y165 | I74-Y76 PolarHBondContact O-N 3.05Å; Y76-T78 HydrophobicContact CE1-CG2 4.29Å; Y76-T78 WeakPolarHBondContact CE1-OG1 3.31Å; Y76-L163 HydrophobicContact CG-CD2 4.5Å; Y76-Y165 HydrophobicContact CD1-CE1 4.22Å | ||
| 77 | E | 64.2 | Low | 60.2 | Low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 63% | 0.63 | S | S | * | * | trans | -112 | 112.2 | 166 | -65 | -166.9 | 162.1 | 0 | 0 | 109.2 | P79 | E77-P79 WeakPolarHBondContact O-CD 3.45Š| ||
| 78 | T | 60 | Low | 60.6 | Low | 74 Ų | 74 | 122.9 Ų | 122.9 | 45% | 0.454 | 64% | 0.639 | S | S | . | * | trans | -62 | 128.4 | 174 | -42.9 | 0 | 0 | 0 | 0 | 109.5 | Y76 V80 | Y76-T78 HydrophobicContact CE1-CG2 4.29Å; Y76-T78 WeakPolarHBondContact CE1-OG1 3.31Å; T78-V80 PolarHBondContact O-N 2.93Å; T78-V80 VanDerWaalsContact O-N 3.09Å | ||
| 79 | P | 57.6 | Low | 60.9 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | trans | -57.9 | 117.9 | 168.4 | -19.1 | 29.9 | 0 | 0 | 0 | 109.2 | E77 A81 | E77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-A81 PolarHBondContact O-N 2.91Å | ||
| 80 | V | 57.6 | Low | 61.2 | Low | 135 Ų | 135 | 117.2 Ų | 117.2 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -73.5 | 102.8 | 176.2 | -177 | 0 | 0 | 0 | 0 | 107.5 | T78 K82 | T78-V80 PolarHBondContact O-N 2.93Å; T78-V80 VanDerWaalsContact O-N 3.09Å; V80-K82 PolarHBondContact O-N 2.66Å | ||
| 81 | A | 57.7 | Low | 61.4 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P79 P83 | P79-A81 PolarHBondContact O-N 2.91Å; A81-P83 WeakPolarHBondContact O-CD 3.11Å |
| 82 | K | 56.2 | Low | 61.6 | Low | 199 Ų | 199 | 109.5 Ų | 109.5 | 87% | 0.865 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.6 | 175.2 | -72.9 | -175.5 | 179.4 | -179.2 | 0 | 108.6 | V80 R84 | V80-K82 PolarHBondContact O-N 2.66Å; K82-R84 PolarHBondContact O-N 2.82Å; K82-R84 VanDerWaalsContact O-N 3.11Å |
| 83 | P | 58.2 | Low | 62 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 120.6 | 177 | -22.9 | 32.6 | 0 | 0 | 0 | 109.2 | A81 E85 | A81-P83 WeakPolarHBondContact O-CD 3.11Å; P83-E85 PolarHBondContact O-N 2.98Å |
| 84 | R | 60.5 | Low | 62.8 | Low | 183 Ų | 183 | 112.5 Ų | 112.5 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 124.5 | 166.3 | -166.3 | 174.8 | 175 | 177.1 | -0.3 | 106.3 | K82 A86 A287 | K82-R84 PolarHBondContact O-N 2.82Å; K82-R84 VanDerWaalsContact O-N 3.11Å; R84-A86 PolarHBondContact O-N 2.82Å; R84-A287 HydrophobicContact CB-CB 4.33Å |
| 85 | E | 62.3 | Low | 64 | Low | 183 Ų | 183 | 117.7 Ų | 117.7 | 86% | 0.855 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.3 | -176.9 | -162.8 | 170.6 | 175.1 | 0 | 0 | 110.1 | P83 | P83-E85 PolarHBondContact O-N 2.98Š|
| 86 | A | 59 | Low | 65.1 | Low | 30 Ų | 30 | 115.6 Ų | 115.6 | 25% | 0.248 | 61% | 0.609 | C | S | . | * | P | Polyproline II helix | trans | -67.1 | 138.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | R84 W257 Y291 | R84-A86 PolarHBondContact O-N 2.82Å; A86-W257 HydrophobicContact CB-CZ2 4.48Å; A86-Y291 HydrophobicContact CB-CD2 3.82Å; A86-Y291 HydrophobicContact CB-CE2 3.41Å; A86-Y291 VanDerWaalsContact CB-CE2 3.41Å |
| 87 | A | 61.6 | Low | 66.6 | Low | 75 Ų | 75 | 118.3 Ų | 118.3 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 147.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | R89 | A87-R89 PolarHBondContact O-N 3.29Š|
| 88 | R | 62.6 | Low | 68.1 | Low | 243 Ų | 243 | 113.6 Ų | 113.6 | 92% | 0.917 | 61% | 0.612 | S | S | * | * | trans | -56.5 | 116 | 178.6 | -75.9 | -173.5 | 177.2 | -168.2 | -0.8 | 110 | ||||
| 89 | R | 67.3 | Low | 69.8 | Low | 81 Ų | 81 | 110.5 Ų | 110.5 | 31% | 0.306 | 59% | 0.593 | S | S | . | * | trans | -67.1 | 132.6 | 179.7 | 165.2 | 173.8 | -84.2 | 151.8 | -3.1 | 111.3 | A87 P255 L256 Y291 | A87-R89 PolarHBondContact O-N 3.29Å; R89-P255 VanDerWaalsContact NH2-CB 3.33Å; R89-L256 PolarHBondContact NH2-O 3.47Å; R89-Y291 HydrophobicContact CB-CE2 4.2Å; R89-Y291 VanDerWaalsContact NH1-CG 3.31Å | ||
| 90 | P | 67.3 | Low | 71.7 | Confident | 56 Ų | 56 | 109 Ų | 109 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | trans | -63.6 | 141.2 | 165.1 | -15.8 | 28.1 | 0 | 0 | 0 | 111 | T92 E259 | P90-T92 PolarHBondContact O-N 3.21Å; P90-T92 VanDerWaalsContact O-N 3.17Å; P90-T92 PolarHBondContact O-OG1 3.18Å; P90-T92 VanDerWaalsContact O-OG1 3.05Å; P90-E259 WeakPolarHBondContact CD-OE1 3.48Å; P90-E259 HydrophobicContact CG-CG 4.45Å; P90-E259 WeakPolarHBondContact CG-OE1 3.15Å | ||
| 91 | A | 62 | Low | 73.5 | Confident | 103 Ų | 103 | 105 Ų | 105 | 85% | 0.851 | 56% | 0.556 | S | S | * | * | trans | -66.1 | 114.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M93 | A91-M93 PolarHBondContact O-N 3.12Š| ||
| 92 | T | 62.4 | Low | 75.3 | Confident | 52 Ų | 52 | 105.4 Ų | 105.4 | 32% | 0.319 | 55% | 0.547 | S | S | . | . | trans | -97.4 | 87.6 | -169 | -32.8 | 0 | 0 | 0 | 0 | 111.3 | P90 E94 N233 V235 | P90-T92 PolarHBondContact O-N 3.21Å; P90-T92 VanDerWaalsContact O-N 3.17Å; P90-T92 PolarHBondContact O-OG1 3.18Å; P90-T92 VanDerWaalsContact O-OG1 3.05Å; T92-E94 HydrophobicContact CG2-CB 3.94Å; T92-N233 VanDerWaalsContact CG2-ND2 3.25Å; T92-N233 WeakPolarHBondContact CG2-ND2 3.4Å; T92-V235 HydrophobicContact CG2-CG2 3.69Å; T92-V235 WeakPolarHBondContact OG1-CG2 3.37Å | ||
| 93 | M | 69.1 | Low | 77.3 | Confident | 194 Ų | 194 | 97.8 Ų | 97.8 | 96% | 0.956 | 52% | 0.516 | S | S | * | . | trans | -88.8 | 12 | 160 | -70 | -160.4 | -88.5 | 0 | 0 | 111.9 | A91 | A91-M93 PolarHBondContact O-N 3.12Š| ||
| 94 | E | 78.5 | Confident | 79.1 | Confident | 73 Ų | 73 | 93.8 Ų | 93.8 | 34% | 0.341 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 129 | -179.1 | -167.6 | -176.3 | -172.6 | 0 | 0 | 111.2 | T92 K97 N233 S234 | T92-E94 HydrophobicContact CG2-CB 3.94Å; E94-K97 IonicContact OE1-NZ 3.96Å; E94-N233 HydrophobicContact CB-CB 4.23Å; E94-N233 HydrophobicContact CG-CB 4.14Å; E94-N233 PolarHBondContact O-ND2 3.46Å; E94-S234 WeakPolarHBondContact OE2-CB 3.21Å; E94-S234 PolarHBondContact OE2-N 3.34Å; E94-S234 PolarHBondContact OE2-OG 3.07Å |
| 95 | Q | 88.4 | Confident | 80.8 | Confident | 167 Ų | 167 | 91.9 Ų | 91.9 | 78% | 0.78 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 139.2 | 174.3 | -65.7 | 178.8 | -2 | 0 | 0 | 110.9 | K97 | Q95-K97 PolarHBondContact O-N 3.33Š|
| 96 | L | 91.8 | Very high | 82.4 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 133.7 | 172.7 | -70 | 166.2 | 0 | 0 | 0 | 110.1 | A231 N233 H236 K238 | L96-A231 HydrophobicContact CB-CB 3.93Å; L96-N233 HydrophobicContact CD2-CB 4.22Å; L96-H236 HydrophobicContact CD2-CB 4.28Å; L96-K238 HydrophobicContact CD1-CB 3.89Å; L96-K238 HydrophobicContact CD1-CD 4.11Å |
| 97 | K | 94.9 | Very high | 84.2 | Confident | 102 Ų | 102 | 84.1 Ų | 84.1 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.5 | 175 | -63.4 | 175.9 | -177.5 | 165.4 | 0 | 109.6 | E94 Q95 V99 A231 V232 V262 | E94-K97 IonicContact OE1-NZ 3.96Å; Q95-K97 PolarHBondContact O-N 3.33Å; K97-V99 PolarHBondContact O-N 3.19Å; K97-A231 CarbonylContact O-C 3.51Å; K97-A231 VanDerWaalsContact O-CA 3.23Å; K97-A231 WeakPolarHBondContact O-CA 3.39Å; K97-V232 PolarHBondContact N-O 2.92Å; K97-V232 PolarHBondContact O-N 2.79Å; K97-V262 HydrophobicContact CB-CG1 3.96Å; K97-V262 HydrophobicContact CD-CG1 4.14Å |
| 98 | A | 95.7 | Very high | 85.8 | Confident | 71 Ų | 71 | 87.1 Ų | 87.1 | 59% | 0.587 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L229 I230 | A98-L229 HydrophobicContact CB-CD1 4.02Å; A98-I230 WeakPolarHBondContact CA-O 3.44Å |
| 99 | V | 95.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 6% | 0.055 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 149.3 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | K97 M101 I230 V232 A267 | K97-V99 PolarHBondContact O-N 3.19Å; V99-M101 PolarHBondContact O-N 3.05Å; V99-I230 HydrophobicContact CG2-CB 3.76Å; V99-I230 HydrophobicContact CG2-CG2 3.54Å; V99-I230 PolarHBondContact N-O 3.32Å; V99-V232 HydrophobicContact CG1-CB 3.98Å; V99-V232 HydrophobicContact CG1-CG2 3.78Å; V99-A267 HydrophobicContact CG2-CB 4.22Å |
| 100 | P | 96.4 | Very high | 88.6 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 129.3 | 173.8 | 24.4 | -33.6 | 0 | 0 | 0 | 111.1 | S265 A267 | P100-S265 WeakPolarHBondContact CD-O 3.31Å; P100-A267 PolarHBondContact O-N 3.12Å |
| 101 | M | 95.7 | Very high | 89.8 | Confident | 50 Ų | 50 | 75 Ų | 75 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.9 | 179.9 | -71.7 | 170.3 | 68 | 0 | 0 | 110.3 | V99 I230 A267 L269 | V99-M101 PolarHBondContact O-N 3.05Å; M101-I230 HydrophobicContact CE-CD1 4.24Å; M101-I230 HydrophobicContact CG-CD1 4.3Å; M101-I230 HydrophobicContact SD-CD1 4.29Å; M101-I230 HydrophobicContact SD-CG1 4.29Å; M101-A267 HydrophobicContact CG-CB 4.21Å; M101-L269 HydrophobicContact CB-CD1 3.81Å; M101-L269 HydrophobicContact CE-CD1 3.66Å; M101-L269 HydrophobicContact CE-CD2 3.54Å; M101-L269 HydrophobicContact CE-CG 4.16Å; M101-L269 HydrophobicContact CG-CD1 4.05Å |
| 102 | N | 96.3 | Very high | 91.3 | Very high | 94 Ų | 94 | 76 Ų | 76 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.9 | 177.1 | -67.1 | -54.3 | 0 | 0 | 0 | 110.5 | A267 V268 L269 | N102-A267 PolarHBondContact N-O 3.15Å; N102-V268 HydrophobicContact CB-CG2 4.46Å; N102-V268 CarbonylContact O-C 3.48Å; N102-V268 WeakPolarHBondContact O-CA 3.26Å; N102-L269 PolarHBondContact O-N 2.86Å |
| 103 | V | 96.7 | Very high | 92.7 | Very high | 38 Ų | 38 | 82.4 Ų | 82.4 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.5 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L107 R108 V225 | V103-L107 HydrophobicContact CG1-CB 4.16Å; V103-L107 HydrophobicContact CG1-CD2 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; V103-R108 HydrophobicContact CG1-CG 3.8Å; V103-R108 PolarHBondContact O-NE 3.44Å; V103-V225 HydrophobicContact CG2-CG1 4.05Å; V103-V225 HydrophobicContact CG2-CG2 3.73Å |
| 104 | A | 96.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 74.8 Ų | 74.8 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | trans | -69.8 | 154.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S106 L107 R108 V268 L269 N270 | A104-S106 PolarHBondContact O-N 2.93Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-L107 VanDerWaalsContact O-N 3.07Å; A104-R108 PolarHBondContact O-N 3.47Å; A104-V268 HydrophobicContact CB-CG1 4.2Å; A104-L269 WeakPolarHBondContact CB-O 3.34Å; A104-L269 PolarHBondContact N-O 3.19Å; A104-N270 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 105 | E | 96 | Very high | 94.2 | Very high | 144 Ų | 144 | 76.5 Ų | 76.5 | 67% | 0.673 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.9 | -34.5 | 177.5 | -164.2 | -172.9 | 159.1 | 0 | 0 | 112.2 | L107 R108 N109 | E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.09Å; E105-R108 PolarHBondContact O-N 3.09Å; E105-N109 WeakPolarHBondContact O-CB 3.44Å; E105-N109 PolarHBondContact O-N 3.5Å; E105-N109 PolarHBondContact O-ND2 3.1Å |
| 106 | S | 96.5 | Very high | 94.2 | Very high | 49 Ų | 49 | 72.8 Ų | 72.8 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | A104 L110 N270 A271 | A104-S106 PolarHBondContact O-N 2.93Å; S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 PolarHBondContact O-N 3.15Å; S106-N270 WeakPolarHBondContact OG-CA 3.45Å; S106-A271 PolarHBondContact OG-N 2.92Å; S106-A271 VanDerWaalsContact OG-N 3.12Å |
| 107 | L | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73 | -39.5 | 177.9 | -176.2 | 54.8 | 0 | 0 | 0 | 111.2 | V103 A104 E105 L110 W111 V225 L269 | V103-L107 HydrophobicContact CG1-CB 4.16Å; V103-L107 HydrophobicContact CG1-CD2 4.13Å; V103-L107 HydrophobicContact CG1-CG 4.28Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-L107 VanDerWaalsContact O-N 3.07Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.09Å; L107-L110 HydrophobicContact CD1-CD2 4.36Å; L107-L110 WeakPolarHBondContact O-CB 3.36Å; L107-L110 PolarHBondContact O-N 3.2Å; L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.42Å; L107-W111 VanDerWaalsContact O-N 3.08Å; L107-V225 HydrophobicContact CD2-CG2 4.36Å; L107-L269 HydrophobicContact CD2-CB 3.65Å; L107-L269 HydrophobicContact CD2-CD2 4.36Å |
| 108 | R | 95 | Very high | 92.6 | Very high | 137 Ų | 137 | 70.8 Ų | 70.8 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -51.4 | 175.9 | -62.3 | 178.6 | -174.5 | -96.3 | 1.9 | 111.2 | V103 A104 E105 L110 W111 E112 | V103-R108 HydrophobicContact CG1-CG 3.8Å; V103-R108 PolarHBondContact O-NE 3.44Å; A104-R108 PolarHBondContact O-N 3.47Å; E105-R108 PolarHBondContact O-N 3.09Å; R108-L110 VanDerWaalsContact C-N 3.27Å; R108-L110 PolarHBondContact O-N 3.05Å; R108-W111 PolarHBondContact O-N 2.86Å; R108-W111 VanDerWaalsContact O-N 3.12Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.44Å |
| 109 | N | 95 | Very high | 91 | Very high | 49 Ų | 49 | 70.7 Ų | 70.7 | 26% | 0.262 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -35.1 | 179 | -67.4 | -11 | 0 | 0 | 0 | 112.2 | E105 R113 | E105-N109 WeakPolarHBondContact O-CB 3.44Å; E105-N109 PolarHBondContact O-N 3.5Å; E105-N109 PolarHBondContact O-ND2 3.1Å; N109-R113 VanDerWaalsContact O-CG 3.26Å; N109-R113 WeakPolarHBondContact O-CG 3.47Å; N109-R113 PolarHBondContact O-N 3.26Å; N109-R113 VanDerWaalsContact O-N 3.13Å |
| 110 | L | 94.6 | Very high | 89.1 | Confident | 27 Ų | 27 | 76 Ų | 76 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 175.3 | -177.6 | 71.4 | 0 | 0 | 0 | 111.3 | S106 L107 R108 R113 W114 R221 A222 A271 | S106-L110 WeakPolarHBondContact O-CB 3.46Å; S106-L110 PolarHBondContact O-N 3.15Å; L107-L110 HydrophobicContact CD1-CD2 4.36Å; L107-L110 WeakPolarHBondContact O-CB 3.36Å; L107-L110 PolarHBondContact O-N 3.2Å; R108-L110 VanDerWaalsContact C-N 3.27Å; R108-L110 PolarHBondContact O-N 3.05Å; L110-R113 PolarHBondContact O-N 2.96Å; L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 3.07Å; L110-R221 HydrophobicContact CD2-CG 4.39Å; L110-A222 HydrophobicContact CD2-CB 3.79Å; L110-A271 HydrophobicContact CB-CB 4.41Å; L110-A271 HydrophobicContact CD2-CB 4.17Å |
| 111 | W | 92.9 | Very high | 86.9 | Confident | 51 Ų | 51 | 80 Ų | 80 | 19% | 0.193 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 178.1 | -84.2 | 106.4 | 0 | 0 | 0 | 112.5 | L107 R108 R113 W114 K115 T223 V224 Y245 | L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.42Å; L107-W111 VanDerWaalsContact O-N 3.08Å; R108-W111 PolarHBondContact O-N 2.86Å; R108-W111 VanDerWaalsContact O-N 3.12Å; W111-R113 PolarHBondContact O-N 3.22Å; W111-W114 AromaticContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CZ3 4.34Å; W111-W114 HydrophobicContact CZ3-CD2 4.35Å; W111-W114 AromaticContact CZ3-CE3 3.71Å; W111-W114 HydrophobicContact CZ3-CE3 3.71Å; W111-W114 AromaticContact CZ3-CZ3 3.82Å; W111-W114 HydrophobicContact CZ3-CZ3 3.82Å; W111-W114 PolarHBondContact O-N 2.91Å; W111-K115 WeakPolarHBondContact O-CG 3.47Å; W111-K115 PolarHBondContact O-N 3.14Å; W111-T223 PolarHBondContact NE1-O 2.96Å; W111-T223 VanDerWaalsContact NE1-O 3.09Å; W111-V224 HydrophobicContact CH2-CG2 3.97Å; W111-V224 HydrophobicContact CZ2-CG2 3.79Å; W111-Y245 HydrophobicContact CE3-CD1 4.38Å; W111-Y245 HydrophobicContact CH2-CD1 4.02Å; W111-Y245 HydrophobicContact CZ2-CD1 4.39Å; W111-Y245 HydrophobicContact CZ3-CD1 4.02Å |
| 112 | E | 92.2 | Very high | 84.5 | Confident | 124 Ų | 124 | 80.1 Ų | 80.1 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59 | -45.1 | 174.6 | -73.8 | 173.8 | -176.8 | 0 | 0 | 111.9 | R108 W114 K115 A116 | R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.44Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 2.8Å; E112-K115 PolarHBondContact O-N 2.84Å; E112-A116 WeakPolarHBondContact O-CB 3.49Å; E112-A116 PolarHBondContact O-N 2.9Å |
| 113 | R | 92.9 | Very high | 82.2 | Confident | 186 Ų | 186 | 79.4 Ų | 79.4 | 70% | 0.702 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 175.8 | -71.3 | 174.1 | -167.8 | 175.8 | 4.3 | 112.4 | N109 L110 W111 A116 S117 | N109-R113 VanDerWaalsContact O-CG 3.26Å; N109-R113 WeakPolarHBondContact O-CG 3.47Å; N109-R113 PolarHBondContact O-N 3.26Å; N109-R113 VanDerWaalsContact O-N 3.13Å; L110-R113 PolarHBondContact O-N 2.96Å; W111-R113 PolarHBondContact O-N 3.22Å; R113-A116 PolarHBondContact O-N 2.7Å; R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.13Å |
| 114 | W | 89.9 | Confident | 79.6 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 13% | 0.129 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 178 | -175.8 | 84.2 | 0 | 0 | 0 | 111.5 | L110 W111 E112 S117 N119 E120 Y245 | L110-W114 WeakPolarHBondContact O-CB 3.48Å; L110-W114 PolarHBondContact O-N 3.07Å; W111-W114 AromaticContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CE3 3.85Å; W111-W114 HydrophobicContact CE3-CZ3 4.34Å; W111-W114 HydrophobicContact CZ3-CD2 4.35Å; W111-W114 AromaticContact CZ3-CE3 3.71Å; W111-W114 HydrophobicContact CZ3-CE3 3.71Å; W111-W114 AromaticContact CZ3-CZ3 3.82Å; W111-W114 HydrophobicContact CZ3-CZ3 3.82Å; W111-W114 PolarHBondContact O-N 2.91Å; E112-W114 VanDerWaalsContact C-N 3.34Å; E112-W114 PolarHBondContact O-N 2.8Å; W114-S117 PolarHBondContact O-N 3.17Å; W114-S117 VanDerWaalsContact O-N 3.15Å; W114-S117 PolarHBondContact O-OG 3.38Å; W114-N119 HydrophobicContact CD2-CB 4.29Å; W114-N119 WeakPolarHBondContact CH2-O 3.44Å; W114-N119 HydrophobicContact CZ2-CB 3.81Å; W114-N119 WeakPolarHBondContact CZ2-O 3.33Å; W114-E120 HydrophobicContact CH2-CG 4.43Å; W114-E120 HydrophobicContact CZ3-CG 3.84Å; W114-Y245 HydrophobicContact CB-CD1 4.22Å; W114-Y245 HydrophobicContact CB-CE1 3.59Å; W114-Y245 AromaticContact CD1-CD1 3.48Å; W114-Y245 VanDerWaalsContact CD1-CD1 3.48Å; W114-Y245 AromaticContact CD1-CE1 3.21Å; W114-Y245 AromaticContact CD1-CE2 3.9Å; W114-Y245 AromaticContact CD1-CG 3.94Å; W114-Y245 AromaticContact CD1-CZ 3.41Å; W114-Y245 VanDerWaalsContact CD1-CZ 3.41Å; W114-Y245 AromaticContact CD2-CD1 3.63Å; W114-Y245 HydrophobicContact CD2-CD1 3.63Å; W114-Y245 AromaticContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CG 4.34Å; W114-Y245 AromaticContact CE2-CD1 3.66Å; W114-Y245 AromaticContact CE2-CG 3.88Å; W114-Y245 HydrophobicContact CE3-CD1 4.4Å; W114-Y245 AromaticContact CG-CD1 3.52Å; W114-Y245 HydrophobicContact CG-CD1 3.52Å; W114-Y245 AromaticContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CG 4.36Å; W114-Y245 AromaticContact CG-CZ 3.93Å; W114-Y245 HydrophobicContact CZ2-CD1 4.43Å; W114-Y245 HydrophobicContact CZ2-CG 4.4Å; W114-Y245 AromaticContact NE1-CD1 3.53Å; W114-Y245 AromaticContact NE1-CD2 3.91Å; W114-Y245 AromaticContact NE1-CE1 3.77Å; W114-Y245 AromaticContact NE1-CG 3.6Å |
| 115 | K | 89.7 | Confident | 76.7 | Confident | 108 Ų | 108 | 87.4 Ų | 87.4 | 47% | 0.47 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 173.2 | -70.9 | -179.2 | 178.6 | -168.2 | 0 | 111.9 | W111 E112 S117 G118 E120 | W111-K115 WeakPolarHBondContact O-CG 3.47Å; W111-K115 PolarHBondContact O-N 3.14Å; E112-K115 PolarHBondContact O-N 2.84Å; K115-S117 PolarHBondContact O-N 3.29Å; K115-S117 VanDerWaalsContact O-N 3.15Å; K115-G118 PolarHBondContact O-N 3.31Å; K115-G118 VanDerWaalsContact O-N 3.11Å; K115-E120 HydrophobicContact CG-CG 4.4Å |
| 116 | A | 88.5 | Confident | 73.9 | Confident | 90 Ų | 90 | 86.5 Ų | 86.5 | 74% | 0.744 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.2 | -21.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E112 R113 G118 | E112-A116 WeakPolarHBondContact O-CB 3.49Å; E112-A116 PolarHBondContact O-N 2.9Å; R113-A116 PolarHBondContact O-N 2.7Å; A116-G118 PolarHBondContact O-N 2.83Å |
| 117 | S | 82 | Confident | 71.6 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.2 | 176.7 | 70 | 0 | 0 | 0 | 0 | 114.7 | R113 W114 K115 N119 | R113-S117 PolarHBondContact O-N 3.28Å; R113-S117 VanDerWaalsContact O-N 3.13Å; W114-S117 PolarHBondContact O-N 3.17Å; W114-S117 VanDerWaalsContact O-N 3.15Å; W114-S117 PolarHBondContact O-OG 3.38Å; K115-S117 PolarHBondContact O-N 3.29Å; K115-S117 VanDerWaalsContact O-N 3.15Å; S117-N119 PolarHBondContact O-N 3.39Å; S117-N119 PolarHBondContact OG-ND2 3.46Å |
| 118 | G | 70.7 | Confident | 69 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 16 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K115 A116 E120 | K115-G118 PolarHBondContact O-N 3.31Å; K115-G118 VanDerWaalsContact O-N 3.11Å; A116-G118 PolarHBondContact O-N 2.83Å; G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.91Å |
| 119 | N | 62.8 | Low | 66.7 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -81 | 3.6 | -179.2 | -86.8 | -24.9 | 0 | 0 | 0 | 114.2 | W114 S117 D121 S122 | W114-N119 HydrophobicContact CD2-CB 4.29Å; W114-N119 WeakPolarHBondContact CH2-O 3.44Å; W114-N119 HydrophobicContact CZ2-CB 3.81Å; W114-N119 WeakPolarHBondContact CZ2-O 3.33Å; S117-N119 PolarHBondContact O-N 3.39Å; S117-N119 PolarHBondContact OG-ND2 3.46Å; N119-D121 PolarHBondContact O-N 3.1Å; N119-S122 PolarHBondContact O-N 3Å |
| 120 | E | 55.7 | Low | 64.9 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -62.1 | -23.4 | 179.2 | -87 | -178.8 | 136.1 | 0 | 0 | 113 | W114 K115 G118 | W114-E120 HydrophobicContact CH2-CG 4.43Å; W114-E120 HydrophobicContact CZ3-CG 3.84Å; K115-E120 HydrophobicContact CG-CG 4.4Å; G118-E120 VanDerWaalsContact C-N 3.26Å; G118-E120 PolarHBondContact O-N 2.91Å |
| 121 | D | 49.8 | Very low | 63.7 | Low | 161 Ų | 161 | 106.1 Ų | 106.1 | 86% | 0.861 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -106 | 3.4 | -179.8 | -68.4 | -37.4 | 0 | 0 | 0 | 114.9 | N119 | N119-D121 PolarHBondContact O-N 3.1Š|
| 122 | S | 44.8 | Very low | 63.1 | Low | 52 Ų | 52 | 104.7 Ų | 104.7 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | trans | -112 | 42.9 | -177.9 | -159.8 | 0 | 0 | 0 | 0 | 112.8 | N119 T124 | N119-S122 PolarHBondContact O-N 3Å; S122-T124 VanDerWaalsContact C-N 3.29Å | ||
| 123 | V | 48.4 | Very low | 62.8 | Low | 79 Ų | 79 | 102.3 Ų | 102.3 | 48% | 0.479 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -100 | 51.4 | 165.2 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 124 | T | 40.9 | Very low | 62.6 | Low | 121 Ų | 121 | 93.8 Ų | 93.8 | 74% | 0.742 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 176.6 | 127 | 160.6 | 18.5 | 0 | 0 | 0 | 0 | 107.9 | S122 | S122-T124 VanDerWaalsContact C-N 3.29Š|
| 125 | S | 35.7 | Very low | 62.4 | Low | 107 Ų | 107 | 97 Ų | 97 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | trans | 66.1 | 81.1 | 166.8 | 58.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 126 | D | 38.7 | Very low | 62.4 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | trans | -134.3 | 65.9 | 143.3 | -101 | -34.4 | 0 | 0 | 0 | 110.2 | T128 | D126-T128 PolarHBondContact O-N 3.38Š| ||
| 127 | I | 47 | Very low | 62.3 | Low | 126 Ų | 126 | 91 Ų | 91 | 65% | 0.646 | 52% | 0.518 | S | S | * | . | trans | -86.3 | 71.6 | 162.1 | -55.8 | 177.2 | 0 | 0 | 0 | 106.8 | H194 | I127-H194 HydrophobicContact CD1-CB 4.45Š| ||
| 128 | T | 41.3 | Very low | 62.5 | Low | 104 Ų | 104 | 89.5 Ų | 89.5 | 64% | 0.638 | 51% | 0.514 | S | S | * | . | trans | -93.3 | 92.2 | 165.2 | 40 | 0 | 0 | 0 | 0 | 108.3 | D126 K130 | D126-T128 PolarHBondContact O-N 3.38Å; T128-K130 PolarHBondContact O-N 3.08Å; T128-K130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | N | 47.2 | Very low | 63.4 | Low | 169 Ų | 169 | 87.7 Ų | 87.7 | 90% | 0.904 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 54.8 | 34.4 | 155 | -109.5 | -12 | 0 | 0 | 0 | 118.9 | ||
| 130 | K | 56.9 | Low | 64.3 | Low | 186 Ų | 186 | 86.8 Ų | 86.8 | 81% | 0.809 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 119.7 | 166.5 | -71.5 | 176.8 | -176.4 | 166.3 | 0 | 109.5 | T128 A132 | T128-K130 PolarHBondContact O-N 3.08Å; T128-K130 VanDerWaalsContact O-N 3.1Å; K130-A132 PolarHBondContact O-N 2.82Å |
| 131 | E | 70.5 | Confident | 65.8 | Low | 90 Ų | 90 | 83.9 Ų | 83.9 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 127.3 | 178.8 | -65.9 | 171.1 | 159 | 0 | 0 | 110.4 | V133 L142 K144 | E131-V133 PolarHBondContact O-N 3.15Å; E131-L142 HydrophobicContact CB-CD2 3.95Å; E131-K144 HydrophobicContact CG-CD 4.38Å; E131-K144 WeakPolarHBondContact OE1-CD 3.22Å; E131-K144 WeakPolarHBondContact OE1-CE 3.19Å; E131-K144 IonicContact OE1-NZ 2.71Å; E131-K144 PolarHBondContact OE1-NZ 2.72Å |
| 132 | A | 80.4 | Confident | 67.6 | Low | 20 Ų | 20 | 78.6 Ų | 78.6 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 126.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K130 S143 F192 | K130-A132 PolarHBondContact O-N 2.82Å; A132-S143 WeakPolarHBondContact O-CB 3.5Å; A132-S143 PolarHBondContact O-N 2.71Å; A132-F192 HydrophobicContact CB-CB 4.18Å; A132-F192 HydrophobicContact CB-CD1 4.27Å |
| 133 | V | 85.3 | Confident | 69.6 | Low | 75 Ų | 75 | 79 Ų | 79 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -95.5 | 137.2 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | E131 K135 L142 | E131-V133 PolarHBondContact O-N 3.15Å; V133-K135 PolarHBondContact O-N 3.44Å; V133-L142 HydrophobicContact CG2-CD2 3.6Å |
| 134 | C | 88.2 | Confident | 71.2 | Confident | 6 Ų | 6 | 82.9 Ų | 82.9 | 4% | 0.041 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 125.8 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | N136 C139 Q141 H190 D191 F192 | C134-N136 VanDerWaalsContact C-N 3.34Å; C134-C139 HydrophobicContact CB-CB 4.21Å; C134-C139 WeakPolarHBondContact CB-SG 3.43Å; C134-C139 PolarHBondContact SG-SG 3.49Å; C134-Q141 PolarHBondContact N-O 3.39Å; C134-H190 PolarHBondContact SG-ND1 3.31Å; C134-H190 VanDerWaalsContact SG-ND1 3.39Å; C134-D191 WeakPolarHBondContact CA-O 3.47Å; C134-F192 HydrophobicContact CB-CD1 4.26Å; C134-F192 HydrophobicContact CB-CE1 3.61Å; C134-F192 HydrophobicContact CB-CZ 4.08Å |
| 135 | K | 85.7 | Confident | 73.4 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | trans | -82 | -10 | -177.3 | -67.1 | 175 | 175.5 | 172.6 | 0 | 114.1 | V133 D191 S193 | V133-K135 PolarHBondContact O-N 3.44Å; K135-D191 HydrophobicContact CB-CB 4.34Å; K135-D191 PolarHBondContact N-O 2.69Å; K135-S193 PolarHBondContact NZ-O 2.89Å | ||
| 136 | N | 89.2 | Confident | 75.6 | Confident | 35 Ų | 35 | 80.7 Ų | 80.7 | 19% | 0.187 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -65.5 | 135 | 178.1 | -67.6 | -25.3 | 0 | 0 | 0 | 111.1 | C134 G138 C139 C150 Y152 D189 | C134-N136 VanDerWaalsContact C-N 3.34Å; N136-G138 PolarHBondContact O-N 2.77Å; N136-C139 HydrophobicContact CB-CB 4.26Å; N136-C139 WeakPolarHBondContact O-CB 3.31Å; N136-C139 PolarHBondContact O-N 3.15Å; N136-C139 VanDerWaalsContact O-N 3.12Å; N136-C150 PolarHBondContact ND2-SG 3.11Å; N136-Y152 HydrophobicContact CB-CD1 4.38Å; N136-Y152 HydrophobicContact CB-CD2 4.13Å; N136-Y152 HydrophobicContact CB-CG 3.77Å; N136-D189 PolarHBondContact ND2-O 3.02Å |
| 137 | A | 88.3 | Confident | 77.9 | Confident | 36 Ų | 36 | 77.3 Ų | 77.3 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 125.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C139 Y152 H153 W166 | A137-C139 VanDerWaalsContact C-N 3.33Å; A137-Y152 CarbonylContact O-C 3.2Å; A137-Y152 VanDerWaalsContact O-CA 3.24Å; A137-Y152 WeakPolarHBondContact O-CA 3.38Å; A137-Y152 WeakPolarHBondContact O-CB 3.26Å; A137-H153 HydrophobicContact CB-CB 4.41Å; A137-H153 PolarHBondContact O-N 3.17Å; A137-W166 HydrophobicContact CB-CH2 3.67Å; A137-W166 HydrophobicContact CB-CZ2 4.43Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å |
| 138 | G | 85.8 | Confident | 79.9 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -3.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N136 | N136-G138 PolarHBondContact O-N 2.77Š|
| 139 | C | 88.2 | Confident | 82.2 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 14% | 0.135 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -68.3 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 112 | C134 N136 A137 Q141 C150 H190 | C134-C139 HydrophobicContact CB-CB 4.21Å; C134-C139 WeakPolarHBondContact CB-SG 3.43Å; C134-C139 PolarHBondContact SG-SG 3.49Å; N136-C139 HydrophobicContact CB-CB 4.26Å; N136-C139 WeakPolarHBondContact O-CB 3.31Å; N136-C139 PolarHBondContact O-N 3.15Å; N136-C139 VanDerWaalsContact O-N 3.12Å; A137-C139 VanDerWaalsContact C-N 3.33Å; C139-Q141 PolarHBondContact O-N 3.2Å; C139-Q141 PolarHBondContact SG-OE1 2.91Å; C139-C150 VanDerWaalsContact CB-SG 3.56Å; C139-H190 PolarHBondContact SG-CE1 3.36Å; C139-H190 PolarHBondContact SG-ND1 3.3Å; C139-H190 VanDerWaalsContact SG-ND1 3.36Å |
| 140 | G | 82.9 | Confident | 84.4 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | trans | 61.8 | 9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 141 | Q | 87.4 | Confident | 86.1 | Confident | 58 Ų | 58 | 64.4 Ų | 64.4 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | trans | -68.8 | 144.6 | 178.4 | -74.3 | 172.9 | -83 | 0 | 0 | 111.1 | C134 C139 A146 S147 H190 F192 | C134-Q141 PolarHBondContact N-O 3.39Å; C139-Q141 PolarHBondContact O-N 3.2Å; C139-Q141 PolarHBondContact SG-OE1 2.91Å; Q141-A146 HydrophobicContact CB-CB 4.43Å; Q141-S147 PolarHBondContact NE2-OG 2.76Å; Q141-S147 VanDerWaalsContact NE2-OG 3.08Å; Q141-S147 PolarHBondContact OE1-OG 2.83Å; Q141-H190 PolarHBondContact OE1-CE1 3.19Å; Q141-F192 WeakPolarHBondContact O-CE1 3.31Å | ||
| 142 | L | 87.1 | Confident | 87.2 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -79.1 | 140.9 | 173 | -66.9 | 165.6 | 0 | 0 | 0 | 109.5 | E131 V133 K144 E145 A146 | E131-L142 HydrophobicContact CB-CD2 3.95Å; V133-L142 HydrophobicContact CG2-CD2 3.6Å; L142-K144 PolarHBondContact O-N 2.85Å; L142-E145 CarbonylContact O-C 3.46Å; L142-E145 PolarHBondContact O-N 2.62Å; L142-A146 PolarHBondContact O-N 3.02Å |
| 143 | S | 85.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.3 | -176.7 | 179 | 0 | 0 | 0 | 0 | 114.6 | A132 | A132-S143 WeakPolarHBondContact O-CB 3.5Å; A132-S143 PolarHBondContact O-N 2.71Å |
| 144 | K | 83.1 | Confident | 88 | Confident | 160 Ų | 160 | 62.2 Ų | 62.2 | 70% | 0.696 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -24.4 | 177.2 | -67.2 | -176.7 | -175.2 | 166 | 0 | 113.9 | E131 L142 | E131-K144 HydrophobicContact CG-CD 4.38Å; E131-K144 WeakPolarHBondContact OE1-CD 3.22Å; E131-K144 WeakPolarHBondContact OE1-CE 3.19Å; E131-K144 IonicContact OE1-NZ 2.71Å; E131-K144 PolarHBondContact OE1-NZ 2.72Å; L142-K144 PolarHBondContact O-N 2.85Å |
| 145 | E | 86.3 | Confident | 88 | Confident | 150 Ų | 150 | 62.7 Ų | 62.7 | 70% | 0.701 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 11.1 | -174.2 | -58.7 | -179.4 | 172.1 | 0 | 0 | 111.4 | L142 | L142-E145 CarbonylContact O-C 3.46Å; L142-E145 PolarHBondContact O-N 2.62Å |
| 146 | A | 82 | Confident | 88 | Confident | 31 Ų | 31 | 62.9 Ų | 62.9 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | trans | -70.4 | 137.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q141 L142 F192 | Q141-A146 HydrophobicContact CB-CB 4.43Å; L142-A146 PolarHBondContact O-N 3.02Å; A146-F192 HydrophobicContact CB-CE2 3.9Å; A146-F192 HydrophobicContact CB-CZ 3.45Å; A146-F192 VanDerWaalsContact CB-CZ 3.45Å | ||
| 147 | S | 87.4 | Confident | 88 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | trans | -68.5 | 165.2 | 166.7 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | Q141 E149 H190 | Q141-S147 PolarHBondContact NE2-OG 2.76Å; Q141-S147 VanDerWaalsContact NE2-OG 3.08Å; Q141-S147 PolarHBondContact OE1-OG 2.83Å; S147-E149 PolarHBondContact O-N 2.82Å; S147-E149 PolarHBondContact OG-O 2.87Å; S147-H190 PolarHBondContact O-CD2 3.3Å; S147-H190 PolarHBondContact O-NE2 2.99Å | ||
| 148 | D | 88 | Confident | 87.9 | Confident | 169 Ų | 169 | 63.3 Ų | 63.3 | 90% | 0.904 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -64.5 | -25.8 | 173.2 | -66.5 | -27.5 | 0 | 0 | 0 | 112.1 | ||
| 149 | E | 91.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -116.7 | 129.9 | -178.4 | -169 | -177.9 | -127.5 | 0 | 0 | 110.8 | S147 K187 | S147-E149 PolarHBondContact O-N 2.82Å; S147-E149 PolarHBondContact OG-O 2.87Å; E149-K187 VanDerWaalsContact CD-CG 3.45Å; E149-K187 HydrophobicContact CG-CB 4.01Å; E149-K187 HydrophobicContact CG-CG 4.11Å; E149-K187 WeakPolarHBondContact OE1-CB 3.22Å; E149-K187 WeakPolarHBondContact OE1-CD 3.49Å; E149-K187 VanDerWaalsContact OE1-CG 3.27Å; E149-K187 WeakPolarHBondContact OE1-CG 3.45Å; E149-K187 IonicContact OE1-NZ 2.94Å; E149-K187 PolarHBondContact OE1-NZ 2.85Å; E149-K187 WeakPolarHBondContact OE2-CE 3.33Å; E149-K187 IonicContact OE2-NZ 2.68Å; E149-K187 PolarHBondContact OE2-NZ 2.84Å |
| 150 | C | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.6 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | N136 C139 Y152 K187 G188 H190 | N136-C150 PolarHBondContact ND2-SG 3.11Å; C139-C150 VanDerWaalsContact CB-SG 3.56Å; C150-Y152 HydrophobicContact CB-CD1 4.41Å; C150-K187 CarbonylContact O-C 3.47Å; C150-K187 WeakPolarHBondContact O-CA 3.24Å; C150-G188 WeakPolarHBondContact CA-O 3.32Å; C150-G188 VanDerWaalsContact CB-O 3.22Å; C150-G188 WeakPolarHBondContact CB-O 3.29Å; C150-G188 PolarHBondContact N-O 2.81Å; C150-G188 PolarHBondContact O-N 3.44Å; C150-H190 HydrophobicContact CB-CB 4.4Å |
| 151 | L | 93 | Very high | 88 | Confident | 62 Ų | 62 | 75.1 Ų | 75.1 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 116.2 | 167.2 | -64.2 | 178 | 0 | 0 | 0 | 110 | T183 T186 K187 | L151-T183 HydrophobicContact CB-CG2 4.14Å; L151-T183 HydrophobicContact CD1-CG2 3.71Å; L151-T186 WeakPolarHBondContact CA-O 3.49Å; L151-K187 HydrophobicContact CD2-CB 4.41Å; L151-K187 HydrophobicContact CD2-CD 4.44Å; L151-K187 HydrophobicContact CD2-CG 3.37Å |
| 152 | Y | 93.3 | Very high | 88 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 169.7 | -177.6 | 68.8 | -79.6 | 0 | 0 | 0 | 114.2 | N136 A137 C150 P154 G184 C185 T186 | N136-Y152 HydrophobicContact CB-CD1 4.38Å; N136-Y152 HydrophobicContact CB-CD2 4.13Å; N136-Y152 HydrophobicContact CB-CG 3.77Å; A137-Y152 CarbonylContact O-C 3.2Å; A137-Y152 VanDerWaalsContact O-CA 3.24Å; A137-Y152 WeakPolarHBondContact O-CA 3.38Å; A137-Y152 WeakPolarHBondContact O-CB 3.26Å; C150-Y152 HydrophobicContact CB-CD1 4.41Å; Y152-P154 HydrophobicContact CE2-CB 4.23Å; Y152-G184 CarbonylContact O-C 3.55Å; Y152-G184 WeakPolarHBondContact O-CA 3.39Å; Y152-C185 PolarHBondContact O-N 2.77Å; Y152-T186 WeakPolarHBondContact CD1-O 3.33Å; Y152-T186 HydrophobicContact CE1-CG2 4.2Å; Y152-T186 PolarHBondContact N-O 3.11Å; Y152-T186 PolarHBondContact O-N 2.77Å |
| 153 | H | 91.4 | Very high | 88 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 2% | 0.023 | 40% | 0.398 | C | S | . | . | trans | -102.9 | 115.4 | 173.3 | -69.1 | -64.4 | 0 | 0 | 0 | 110.4 | A137 G155 W166 C168 T183 C185 | A137-H153 HydrophobicContact CB-CB 4.41Å; A137-H153 PolarHBondContact O-N 3.17Å; H153-G155 PolarHBondContact O-N 3.31Å; H153-W166 HydrophobicContact CB-CB 4.24Å; H153-W166 HydrophobicContact CB-CD2 3.67Å; H153-W166 HydrophobicContact CB-CE3 3.76Å; H153-W166 HydrophobicContact CB-CG 3.88Å; H153-W166 HydrophobicContact CB-CZ3 4.35Å; H153-W166 AromaticContact CD2-CD1 3.26Å; H153-W166 AromaticContact CD2-CD2 3.73Å; H153-W166 AromaticContact CD2-CE2 3.54Å; H153-W166 AromaticContact CD2-CG 3.6Å; H153-W166 AromaticContact CD2-NE1 3.22Å; H153-W166 PolarHBondContact CD2-NE1 2.97Å; H153-W166 AromaticContact CE1-CD1 3.7Å; H153-W166 AromaticContact CG-CD1 3.62Å; H153-W166 AromaticContact CG-CD2 3.7Å; H153-W166 AromaticContact CG-CG 3.48Å; H153-W166 VanDerWaalsContact CG-CG 3.48Å; H153-W166 AromaticContact CG-NE1 3.93Å; H153-W166 AromaticContact ND1-CD1 3.87Å; H153-W166 AromaticContact ND1-CG 3.81Å; H153-W166 AromaticContact NE2-CD1 3.31Å; H153-W166 VanDerWaalsContact NE2-CD1 3.31Å; H153-W166 AromaticContact NE2-CG 3.97Å; H153-W166 AromaticContact NE2-NE1 3.54Å; H153-C168 PolarHBondContact ND1-SG 3.37Å; H153-C168 VanDerWaalsContact ND1-SG 3.43Å; H153-T183 PolarHBondContact CE1-O 2.99Å; H153-T183 VanDerWaalsContact CE1-O 3.25Å; H153-T183 PolarHBondContact NE2-O 2.75Å; H153-C185 PolarHBondContact ND1-SG 3.24Å; H153-C185 VanDerWaalsContact ND1-SG 3.43Å | ||
| 154 | P | 91.1 | Very high | 88.3 | Confident | 80 Ų | 80 | 72.6 Ų | 72.6 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | trans | -76.3 | -10.8 | 173.3 | 29.7 | -35.4 | 0 | 0 | 0 | 112.9 | Y152 C168 T186 | Y152-P154 HydrophobicContact CE2-CB 4.23Å; P154-C168 HydrophobicContact CG-CB 3.91Å; P154-T186 VanDerWaalsContact CD-OG1 3.25Å; P154-T186 WeakPolarHBondContact CD-OG1 2.94Å; P154-T186 WeakPolarHBondContact CG-OG1 3.4Å | ||
| 155 | G | 87 | Confident | 88.6 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -85.5 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H153 S167 | H153-G155 PolarHBondContact O-N 3.31Å; G155-S167 VanDerWaalsContact CA-OG 3.27Å; G155-S167 WeakPolarHBondContact CA-OG 3.27Å |
| 156 | I | 86.4 | Confident | 88.8 | Confident | 108 Ų | 108 | 60.1 Ų | 60.1 | 55% | 0.554 | 33% | 0.328 | S | S | * | . | trans | -97.8 | 152.8 | 176.7 | 59.9 | 167.9 | 0 | 0 | 0 | 111 | V158 S167 | I156-V158 HydrophobicContact CG1-CG2 4.47Å; I156-S167 PolarHBondContact N-OG 3.04Å; I156-S167 PolarHBondContact O-N 2.73Å | ||
| 157 | P | 88.8 | Confident | 89.2 | Confident | 46 Ų | 46 | 61 Ų | 61 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 134.9 | 170.4 | 29.4 | -35.6 | 0 | 0 | 0 | 110.5 | F159 W166 F179 | P157-F159 HydrophobicContact CB-CE1 4.49Å; P157-F159 HydrophobicContact CB-CE2 4.22Å; P157-F159 HydrophobicContact CB-CZ 3.89Å; P157-W166 HydrophobicContact CB-CZ3 4.29Å; P157-W166 HydrophobicContact CG-CZ3 4.41Å; P157-F179 HydrophobicContact CB-CE1 4.15Å; P157-F179 HydrophobicContact CB-CZ 3.61Å |
| 158 | V | 86.2 | Confident | 89.3 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.6 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | I156 K164 Y165 | I156-V158 HydrophobicContact CG1-CG2 4.47Å; V158-K164 WeakPolarHBondContact O-CA 3.19Å; V158-Y165 HydrophobicContact CB-CD1 4.15Å; V158-Y165 HydrophobicContact CB-CD2 4.04Å; V158-Y165 HydrophobicContact CB-CE1 3.76Å; V158-Y165 HydrophobicContact CB-CE2 3.65Å; V158-Y165 HydrophobicContact CB-CG 4.29Å; V158-Y165 HydrophobicContact CG1-CD1 4.47Å; V158-Y165 HydrophobicContact CG1-CE1 3.65Å; V158-Y165 HydrophobicContact CG1-CE2 4.03Å; V158-Y165 VanDerWaalsContact CG1-OH 3.32Å; V158-Y165 WeakPolarHBondContact CG1-OH 3.39Å; V158-Y165 HydrophobicContact CG2-CD2 4.31Å; V158-Y165 HydrophobicContact CG2-CE2 3.82Å; V158-Y165 PolarHBondContact N-O 2.83Å; V158-Y165 PolarHBondContact O-N 3.26Å |
| 159 | F | 90.8 | Very high | 89.2 | Confident | 98 Ų | 98 | 54 Ų | 54 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 103.8 | 177.6 | -50.5 | -56.1 | 0 | 0 | 0 | 108.9 | P157 L163 K164 F176 F179 | P157-F159 HydrophobicContact CB-CE1 4.49Å; P157-F159 HydrophobicContact CB-CE2 4.22Å; P157-F159 HydrophobicContact CB-CZ 3.89Å; F159-L163 WeakPolarHBondContact CA-O 3.41Å; F159-K164 HydrophobicContact CD1-CB 3.74Å; F159-K164 HydrophobicContact CD1-CD 4.3Å; F159-K164 HydrophobicContact CD1-CG 3.68Å; F159-K164 HydrophobicContact CE1-CB 3.94Å; F159-K164 HydrophobicContact CE1-CD 4.36Å; F159-K164 HydrophobicContact CE1-CG 4.11Å; F159-F176 HydrophobicContact CE1-CE2 4.33Å; F159-F176 HydrophobicContact CZ-CE2 4.12Å; F159-F179 AromaticContact CE1-CD1 3.94Å; F159-F179 HydrophobicContact CE1-CD1 3.94Å; F159-F179 AromaticContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CG 4.39Å; F159-F179 HydrophobicContact CE1-CZ 4.17Å; F159-F179 HydrophobicContact CZ-CD1 4.32Å; F159-F179 AromaticContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CZ 4.36Å |
| 160 | H | 82 | Confident | 88.8 | Confident | 93 Ų | 93 | 54.5 Ų | 54.5 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.4 | -176.1 | -166.5 | -95.1 | 0 | 0 | 0 | 109.6 | G162 L163 | H160-G162 PolarHBondContact O-N 2.83Å; H160-G162 VanDerWaalsContact O-N 3.16Å; H160-L163 PolarHBondContact N-O 3.27Å; H160-L163 WeakPolarHBondContact O-CA 3.3Å; H160-L163 VanDerWaalsContact O-CB 3.3Å; H160-L163 WeakPolarHBondContact O-CB 3.38Å; H160-L163 PolarHBondContact O-N 3.35Å |
| 161 | E | 86.7 | Confident | 88.5 | Confident | 164 Ų | 164 | 59.6 Ų | 59.6 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.7 | 177 | -69.3 | 173.2 | -176.3 | 0 | 0 | 114.6 | L163 | E161-L163 PolarHBondContact O-N 3.23Š|
| 162 | G | 87.2 | Confident | 88.2 | Confident | 52 Ų | 52 | 57 Ų | 57 | 54% | 0.536 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -11.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H160 K164 | H160-G162 PolarHBondContact O-N 2.83Å; H160-G162 VanDerWaalsContact O-N 3.16Å; G162-K164 PolarHBondContact O-NZ 3.22Å |
| 163 | L | 88.3 | Confident | 88 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.2 | 173.9 | -133.3 | 90.3 | 0 | 0 | 0 | 111.4 | Y76 F159 H160 E161 Y165 T173 T174 | Y76-L163 HydrophobicContact CG-CD2 4.5Å; F159-L163 WeakPolarHBondContact CA-O 3.41Å; H160-L163 PolarHBondContact N-O 3.27Å; H160-L163 WeakPolarHBondContact O-CA 3.3Å; H160-L163 VanDerWaalsContact O-CB 3.3Å; H160-L163 WeakPolarHBondContact O-CB 3.38Å; H160-L163 PolarHBondContact O-N 3.35Å; E161-L163 PolarHBondContact O-N 3.23Å; L163-Y165 HydrophobicContact CD2-CD1 4.27Å; L163-T173 CarbonylContact C-O 3.58Å; L163-T174 HydrophobicContact CD1-CG2 4.28Å |
| 164 | K | 90.4 | Very high | 87.9 | Confident | 39 Ų | 39 | 59 Ų | 59 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 126 | -178.8 | -49.2 | 178.5 | 172.9 | 61.9 | 0 | 108.7 | V158 F159 G162 G172 T173 T174 F176 F179 | V158-K164 WeakPolarHBondContact O-CA 3.19Å; F159-K164 HydrophobicContact CD1-CB 3.74Å; F159-K164 HydrophobicContact CD1-CD 4.3Å; F159-K164 HydrophobicContact CD1-CG 3.68Å; F159-K164 HydrophobicContact CE1-CB 3.94Å; F159-K164 HydrophobicContact CE1-CD 4.36Å; F159-K164 HydrophobicContact CE1-CG 4.11Å; G162-K164 PolarHBondContact O-NZ 3.22Å; K164-G172 CarbonylContact O-C 3.55Å; K164-G172 WeakPolarHBondContact O-CA 3.42Å; K164-T173 HydrophobicContact CB-CG2 4.21Å; K164-T173 WeakPolarHBondContact CB-O 3.39Å; K164-T173 PolarHBondContact N-O 3.16Å; K164-T173 PolarHBondContact O-N 3.23Å; K164-T174 PolarHBondContact NZ-O 3.26Å; K164-F176 HydrophobicContact CD-CB 3.98Å; K164-F176 HydrophobicContact CD-CD2 3.87Å; K164-F176 HydrophobicContact CD-CG 4.42Å; K164-F179 HydrophobicContact CB-CB 3.88Å; K164-F179 HydrophobicContact CB-CD2 3.88Å; K164-F179 HydrophobicContact CB-CG 3.86Å; K164-F179 HydrophobicContact CD-CB 4.22Å |
| 165 | Y | 91 | Very high | 87.9 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 164.5 | -177.4 | 62 | -85.1 | 0 | 0 | 0 | 112.5 | Y76 V158 L163 K170 K171 | Y76-Y165 HydrophobicContact CD1-CE1 4.22Å; V158-Y165 HydrophobicContact CB-CD1 4.15Å; V158-Y165 HydrophobicContact CB-CD2 4.04Å; V158-Y165 HydrophobicContact CB-CE1 3.76Å; V158-Y165 HydrophobicContact CB-CE2 3.65Å; V158-Y165 HydrophobicContact CB-CG 4.29Å; V158-Y165 HydrophobicContact CG1-CD1 4.47Å; V158-Y165 HydrophobicContact CG1-CE1 3.65Å; V158-Y165 HydrophobicContact CG1-CE2 4.03Å; V158-Y165 VanDerWaalsContact CG1-OH 3.32Å; V158-Y165 WeakPolarHBondContact CG1-OH 3.39Å; V158-Y165 HydrophobicContact CG2-CD2 4.31Å; V158-Y165 HydrophobicContact CG2-CE2 3.82Å; V158-Y165 PolarHBondContact N-O 2.83Å; V158-Y165 PolarHBondContact O-N 3.26Å; L163-Y165 HydrophobicContact CD2-CD1 4.27Å; Y165-K170 HydrophobicContact CD2-CB 4.41Å; Y165-K170 HydrophobicContact CD2-CG 4.39Å; Y165-K170 HydrophobicContact CE2-CG 4.38Å; Y165-K171 WeakPolarHBondContact CB-O 3.36Å |
| 166 | W | 90.6 | Very high | 87.9 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.9 | 169.8 | -64.8 | 97.6 | 0 | 0 | 0 | 111.1 | A137 H153 P157 C168 C169 K170 F179 Q182 | A137-W166 HydrophobicContact CB-CH2 3.67Å; A137-W166 HydrophobicContact CB-CZ2 4.43Å; A137-W166 HydrophobicContact CB-CZ3 3.79Å; H153-W166 HydrophobicContact CB-CB 4.24Å; H153-W166 HydrophobicContact CB-CD2 3.67Å; H153-W166 HydrophobicContact CB-CE3 3.76Å; H153-W166 HydrophobicContact CB-CG 3.88Å; H153-W166 HydrophobicContact CB-CZ3 4.35Å; H153-W166 AromaticContact CD2-CD1 3.26Å; H153-W166 AromaticContact CD2-CD2 3.73Å; H153-W166 AromaticContact CD2-CE2 3.54Å; H153-W166 AromaticContact CD2-CG 3.6Å; H153-W166 AromaticContact CD2-NE1 3.22Å; H153-W166 PolarHBondContact CD2-NE1 2.97Å; H153-W166 AromaticContact CE1-CD1 3.7Å; H153-W166 AromaticContact CG-CD1 3.62Å; H153-W166 AromaticContact CG-CD2 3.7Å; H153-W166 AromaticContact CG-CG 3.48Å; H153-W166 VanDerWaalsContact CG-CG 3.48Å; H153-W166 AromaticContact CG-NE1 3.93Å; H153-W166 AromaticContact ND1-CD1 3.87Å; H153-W166 AromaticContact ND1-CG 3.81Å; H153-W166 AromaticContact NE2-CD1 3.31Å; H153-W166 VanDerWaalsContact NE2-CD1 3.31Å; H153-W166 AromaticContact NE2-CG 3.97Å; H153-W166 AromaticContact NE2-NE1 3.54Å; P157-W166 HydrophobicContact CB-CZ3 4.29Å; P157-W166 HydrophobicContact CG-CZ3 4.41Å; W166-C168 PolarHBondContact O-N 2.86Å; W166-C168 VanDerWaalsContact O-N 3.11Å; W166-C169 PolarHBondContact O-N 2.8Å; W166-K170 WeakPolarHBondContact O-CA 3.36Å; W166-K170 PolarHBondContact O-N 3.1Å; W166-F179 AromaticContact CD1-CE2 3.67Å; W166-F179 HydrophobicContact CD2-CE2 4.12Å; W166-F179 HydrophobicContact CD2-CZ 4.02Å; W166-F179 AromaticContact CE2-CE2 3.74Å; W166-F179 AromaticContact CE2-CZ 3.48Å; W166-F179 VanDerWaalsContact CE2-CZ 3.48Å; W166-F179 HydrophobicContact CG-CE2 4.08Å; W166-F179 HydrophobicContact CG-CZ 4.46Å; W166-F179 HydrophobicContact CH2-CZ 4.31Å; W166-F179 HydrophobicContact CZ2-CE1 4.21Å; W166-F179 HydrophobicContact CZ2-CE2 4.35Å; W166-F179 AromaticContact CZ2-CZ 3.65Å; W166-F179 HydrophobicContact CZ2-CZ 3.65Å; W166-F179 AromaticContact NE1-CE2 3.43Å; W166-F179 AromaticContact NE1-CZ 3.64Å; W166-Q182 VanDerWaalsContact CD1-OE1 3.28Å |
| 167 | S | 89.2 | Confident | 88 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.4 | -178.3 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | G155 I156 | G155-S167 VanDerWaalsContact CA-OG 3.27Å; G155-S167 WeakPolarHBondContact CA-OG 3.27Å; I156-S167 PolarHBondContact N-OG 3.04Å; I156-S167 PolarHBondContact O-N 2.73Å |
| 168 | C | 89.6 | Confident | 88 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -27.4 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | H153 P154 W166 C185 | H153-C168 PolarHBondContact ND1-SG 3.37Å; H153-C168 VanDerWaalsContact ND1-SG 3.43Å; P154-C168 HydrophobicContact CG-CB 3.91Å; W166-C168 PolarHBondContact O-N 2.86Å; W166-C168 VanDerWaalsContact O-N 3.11Å; C168-C185 PolarHBondContact SG-SG 3.14Å |
| 169 | C | 87.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -12.6 | -176.2 | 68.9 | 0 | 0 | 0 | 0 | 114.5 | W166 K171 C185 | W166-C169 PolarHBondContact O-N 2.8Å; C169-K171 HydrophobicContact CB-CG 4.36Å; C169-K171 PolarHBondContact O-N 2.96Å; C169-C185 HydrophobicContact CB-CB 3.72Å |
| 170 | K | 82 | Confident | 88.1 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | trans | 51.4 | 28.1 | 176.8 | -56.2 | -175.2 | -176.9 | 178.7 | 0 | 115.1 | Y165 W166 G172 | Y165-K170 HydrophobicContact CD2-CB 4.41Å; Y165-K170 HydrophobicContact CD2-CG 4.39Å; Y165-K170 HydrophobicContact CE2-CG 4.38Å; W166-K170 WeakPolarHBondContact O-CA 3.36Å; W166-K170 PolarHBondContact O-N 3.1Å; K170-G172 PolarHBondContact O-N 3.21Å | ||
| 171 | K | 86.2 | Confident | 88.4 | Confident | 106 Ų | 106 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 101.5 | 172.8 | -64.3 | -176.6 | -179.2 | -179.1 | 0 | 109.3 | V73 Y165 C169 Q182 | V73-K171 HydrophobicContact CG1-CB 4.26Å; V73-K171 HydrophobicContact CG1-CG 4.07Å; Y165-K171 WeakPolarHBondContact CB-O 3.36Å; C169-K171 HydrophobicContact CB-CG 4.36Å; C169-K171 PolarHBondContact O-N 2.96Å; K171-Q182 PolarHBondContact O-NE2 3.04Å; K171-Q182 PolarHBondContact O-OE1 3.05Å |
| 172 | G | 86.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 145.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I74 K164 K170 | I74-G172 PolarHBondContact O-N 2.73Å; K164-G172 CarbonylContact O-C 3.55Å; K164-G172 WeakPolarHBondContact O-CA 3.42Å; K170-G172 PolarHBondContact O-N 3.21Å |
| 173 | T | 88.8 | Confident | 88.6 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -140.4 | 149.4 | 165.9 | 170.1 | 0 | 0 | 0 | 0 | 109.8 | L163 K164 D175 N178 F179 | L163-T173 CarbonylContact C-O 3.58Å; K164-T173 HydrophobicContact CB-CG2 4.21Å; K164-T173 WeakPolarHBondContact CB-O 3.39Å; K164-T173 PolarHBondContact N-O 3.16Å; K164-T173 PolarHBondContact O-N 3.23Å; T173-D175 VanDerWaalsContact CG2-O 3.29Å; T173-D175 WeakPolarHBondContact CG2-O 3.38Å; T173-D175 PolarHBondContact OG1-N 3.27Å; T173-D175 PolarHBondContact OG1-O 3.23Å; T173-N178 HydrophobicContact CG2-CB 4.28Å; T173-F179 HydrophobicContact CG2-CB 3.6Å |
| 174 | T | 89.3 | Confident | 88.8 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -85.7 | -21.9 | 171.8 | 54.5 | 0 | 0 | 0 | 0 | 112 | L163 K164 | L163-T174 HydrophobicContact CD1-CG2 4.28Å; K164-T174 PolarHBondContact NZ-O 3.26Å |
| 175 | D | 90.6 | Very high | 88.9 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | trans | -91.1 | 135.4 | 178.5 | 179.5 | 59.6 | 0 | 0 | 0 | 112.6 | T173 G177 N178 F179 | T173-D175 VanDerWaalsContact CG2-O 3.29Å; T173-D175 WeakPolarHBondContact CG2-O 3.38Å; T173-D175 PolarHBondContact OG1-N 3.27Å; T173-D175 PolarHBondContact OG1-O 3.23Å; D175-G177 VanDerWaalsContact OD2-CA 3.26Å; D175-G177 WeakPolarHBondContact OD2-CA 3.23Å; D175-G177 PolarHBondContact OD2-N 2.89Å; D175-N178 HydrophobicContact CB-CB 4.18Å; D175-N178 PolarHBondContact OD2-N 2.84Å; D175-F179 PolarHBondContact O-N 3.29Å | ||
| 176 | F | 87.8 | Confident | 89 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.4 | -35.2 | -179.5 | -171.5 | -106.9 | 0 | 0 | 0 | 112.6 | F159 K164 F179 L180 | F159-F176 HydrophobicContact CE1-CE2 4.33Å; F159-F176 HydrophobicContact CZ-CE2 4.12Å; K164-F176 HydrophobicContact CD-CB 3.98Å; K164-F176 HydrophobicContact CD-CD2 3.87Å; K164-F176 HydrophobicContact CD-CG 4.42Å; F176-F179 HydrophobicContact CD2-CD1 4.39Å; F176-F179 HydrophobicContact CE2-CD1 4.25Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 PolarHBondContact O-N 2.8Å; F176-L180 HydrophobicContact CD1-CD1 3.99Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.52Å; F176-L180 HydrophobicContact CE1-CD2 4.34Å; F176-L180 HydrophobicContact CE1-CG 3.96Å; F176-L180 HydrophobicContact CZ-CD1 4.11Å; F176-L180 HydrophobicContact CZ-CD2 4.09Å; F176-L180 HydrophobicContact CZ-CG 4.16Å; F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.1Å |
| 177 | G | 88.9 | Confident | 89.2 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | D175 F179 L180 K181 | D175-G177 VanDerWaalsContact OD2-CA 3.26Å; D175-G177 WeakPolarHBondContact OD2-CA 3.23Å; D175-G177 PolarHBondContact OD2-N 2.89Å; G177-F179 VanDerWaalsContact C-N 3.31Å; G177-F179 PolarHBondContact O-N 3.12Å; G177-L180 PolarHBondContact O-N 3.3Å; G177-K181 VanDerWaalsContact O-CG 3.31Å; G177-K181 WeakPolarHBondContact O-CG 3.29Å; G177-K181 PolarHBondContact O-N 3.01Å; G177-K181 VanDerWaalsContact O-N 3.17Å |
| 178 | N | 88.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64 | -36.2 | 174.4 | -72 | -5.8 | 0 | 0 | 0 | 111.9 | T173 D175 K181 Q182 | T173-N178 HydrophobicContact CG2-CB 4.28Å; D175-N178 HydrophobicContact CB-CB 4.18Å; D175-N178 PolarHBondContact OD2-N 2.84Å; N178-K181 PolarHBondContact O-N 3.45Å; N178-Q182 WeakPolarHBondContact O-CG 3.44Å; N178-Q182 PolarHBondContact O-N 2.6Å |
| 179 | F | 90.1 | Very high | 89.4 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.022 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 176.5 | 170.3 | -102.9 | 0 | 0 | 0 | 111.8 | P157 F159 K164 W166 T173 D175 F176 G177 K181 Q182 | P157-F179 HydrophobicContact CB-CE1 4.15Å; P157-F179 HydrophobicContact CB-CZ 3.61Å; F159-F179 AromaticContact CE1-CD1 3.94Å; F159-F179 HydrophobicContact CE1-CD1 3.94Å; F159-F179 AromaticContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CE1 3.81Å; F159-F179 HydrophobicContact CE1-CG 4.39Å; F159-F179 HydrophobicContact CE1-CZ 4.17Å; F159-F179 HydrophobicContact CZ-CD1 4.32Å; F159-F179 AromaticContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CE1 3.88Å; F159-F179 HydrophobicContact CZ-CZ 4.36Å; K164-F179 HydrophobicContact CB-CB 3.88Å; K164-F179 HydrophobicContact CB-CD2 3.88Å; K164-F179 HydrophobicContact CB-CG 3.86Å; K164-F179 HydrophobicContact CD-CB 4.22Å; W166-F179 AromaticContact CD1-CE2 3.67Å; W166-F179 HydrophobicContact CD2-CE2 4.12Å; W166-F179 HydrophobicContact CD2-CZ 4.02Å; W166-F179 AromaticContact CE2-CE2 3.74Å; W166-F179 AromaticContact CE2-CZ 3.48Å; W166-F179 VanDerWaalsContact CE2-CZ 3.48Å; W166-F179 HydrophobicContact CG-CE2 4.08Å; W166-F179 HydrophobicContact CG-CZ 4.46Å; W166-F179 HydrophobicContact CH2-CZ 4.31Å; W166-F179 HydrophobicContact CZ2-CE1 4.21Å; W166-F179 HydrophobicContact CZ2-CE2 4.35Å; W166-F179 AromaticContact CZ2-CZ 3.65Å; W166-F179 HydrophobicContact CZ2-CZ 3.65Å; W166-F179 AromaticContact NE1-CE2 3.43Å; W166-F179 AromaticContact NE1-CZ 3.64Å; T173-F179 HydrophobicContact CG2-CB 3.6Å; D175-F179 PolarHBondContact O-N 3.29Å; F176-F179 HydrophobicContact CD2-CD1 4.39Å; F176-F179 HydrophobicContact CE2-CD1 4.25Å; F176-F179 WeakPolarHBondContact O-CB 3.42Å; F176-F179 PolarHBondContact O-N 2.8Å; G177-F179 VanDerWaalsContact C-N 3.31Å; G177-F179 PolarHBondContact O-N 3.12Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 2.9Å; F179-Q182 WeakPolarHBondContact O-CB 3.35Å; F179-Q182 WeakPolarHBondContact O-CG 3.45Å; F179-Q182 PolarHBondContact O-N 2.8Å |
| 180 | L | 88.9 | Confident | 89.6 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -28.4 | 177.9 | -67.6 | -179.5 | 0 | 0 | 0 | 113.1 | F176 G177 Q182 | F176-L180 HydrophobicContact CD1-CD1 3.99Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.52Å; F176-L180 HydrophobicContact CE1-CD2 4.34Å; F176-L180 HydrophobicContact CE1-CG 3.96Å; F176-L180 HydrophobicContact CZ-CD1 4.11Å; F176-L180 HydrophobicContact CZ-CD2 4.09Å; F176-L180 HydrophobicContact CZ-CG 4.16Å; F176-L180 PolarHBondContact O-N 3.22Å; F176-L180 VanDerWaalsContact O-N 3.1Å; G177-L180 PolarHBondContact O-N 3.3Å; L180-Q182 VanDerWaalsContact C-N 3.34Å |
| 181 | K | 88.1 | Confident | 89.9 | Confident | 163 Ų | 163 | 65.5 Ų | 65.5 | 71% | 0.709 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.5 | 178.2 | -69.6 | 173.9 | -177 | 177.6 | 0 | 113.9 | G177 N178 F179 T183 | G177-K181 VanDerWaalsContact O-CG 3.31Å; G177-K181 WeakPolarHBondContact O-CG 3.29Å; G177-K181 PolarHBondContact O-N 3.01Å; G177-K181 VanDerWaalsContact O-N 3.17Å; N178-K181 PolarHBondContact O-N 3.45Å; F179-K181 VanDerWaalsContact C-N 3.26Å; F179-K181 PolarHBondContact O-N 2.9Å; K181-T183 PolarHBondContact O-N 2.9Å |
| 182 | Q | 87.8 | Confident | 90 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 123.3 | -179.8 | -69.3 | -172.7 | -3.3 | 0 | 0 | 110.5 | W166 K171 N178 F179 L180 | W166-Q182 VanDerWaalsContact CD1-OE1 3.28Å; K171-Q182 PolarHBondContact O-NE2 3.04Å; K171-Q182 PolarHBondContact O-OE1 3.05Å; N178-Q182 WeakPolarHBondContact O-CG 3.44Å; N178-Q182 PolarHBondContact O-N 2.6Å; F179-Q182 WeakPolarHBondContact O-CB 3.35Å; F179-Q182 WeakPolarHBondContact O-CG 3.45Å; F179-Q182 PolarHBondContact O-N 2.8Å; L180-Q182 VanDerWaalsContact C-N 3.34Å |
| 183 | T | 90.9 | Very high | 89.5 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 60% | 0.595 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 136.8 | 174.2 | -47.4 | 0 | 0 | 0 | 0 | 110.2 | L151 H153 K181 | L151-T183 HydrophobicContact CB-CG2 4.14Å; L151-T183 HydrophobicContact CD1-CG2 3.71Å; H153-T183 PolarHBondContact CE1-O 2.99Å; H153-T183 VanDerWaalsContact CE1-O 3.25Å; H153-T183 PolarHBondContact NE2-O 2.75Å; K181-T183 PolarHBondContact O-N 2.9Å |
| 184 | G | 91.7 | Very high | 88.2 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 144.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y152 | Y152-G184 CarbonylContact O-C 3.55Å; Y152-G184 WeakPolarHBondContact O-CA 3.39Å |
| 185 | C | 92.4 | Very high | 86.2 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -94.4 | -6.7 | -179.4 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | Y152 H153 C168 C169 | Y152-C185 PolarHBondContact O-N 2.77Å; H153-C185 PolarHBondContact ND1-SG 3.24Å; H153-C185 VanDerWaalsContact ND1-SG 3.43Å; C168-C185 PolarHBondContact SG-SG 3.14Å; C169-C185 HydrophobicContact CB-CB 3.72Å |
| 186 | T | 92.9 | Very high | 84 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.6 | -176.1 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | L151 Y152 P154 | L151-T186 WeakPolarHBondContact CA-O 3.49Å; Y152-T186 WeakPolarHBondContact CD1-O 3.33Å; Y152-T186 HydrophobicContact CE1-CG2 4.2Å; Y152-T186 PolarHBondContact N-O 3.11Å; Y152-T186 PolarHBondContact O-N 2.77Å; P154-T186 VanDerWaalsContact CD-OG1 3.25Å; P154-T186 WeakPolarHBondContact CD-OG1 2.94Å; P154-T186 WeakPolarHBondContact CG-OG1 3.4Å |
| 187 | K | 94.3 | Very high | 81.8 | Confident | 132 Ų | 132 | 72.5 Ų | 72.5 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.6 | 175.6 | -71.3 | 159.9 | 162.1 | -100 | 0 | 109.4 | E149 C150 L151 | E149-K187 VanDerWaalsContact CD-CG 3.45Å; E149-K187 HydrophobicContact CG-CB 4.01Å; E149-K187 HydrophobicContact CG-CG 4.11Å; E149-K187 WeakPolarHBondContact OE1-CB 3.22Å; E149-K187 WeakPolarHBondContact OE1-CD 3.49Å; E149-K187 VanDerWaalsContact OE1-CG 3.27Å; E149-K187 WeakPolarHBondContact OE1-CG 3.45Å; E149-K187 IonicContact OE1-NZ 2.94Å; E149-K187 PolarHBondContact OE1-NZ 2.85Å; E149-K187 WeakPolarHBondContact OE2-CE 3.33Å; E149-K187 IonicContact OE2-NZ 2.68Å; E149-K187 PolarHBondContact OE2-NZ 2.84Å; C150-K187 CarbonylContact O-C 3.47Å; C150-K187 WeakPolarHBondContact O-CA 3.24Å; L151-K187 HydrophobicContact CD2-CB 4.41Å; L151-K187 HydrophobicContact CD2-CD 4.44Å; L151-K187 HydrophobicContact CD2-CG 3.37Å |
| 188 | G | 92.1 | Very high | 79.5 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 25% | 0.247 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -160.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C150 | C150-G188 WeakPolarHBondContact CA-O 3.32Å; C150-G188 VanDerWaalsContact CB-O 3.22Å; C150-G188 WeakPolarHBondContact CB-O 3.29Å; C150-G188 PolarHBondContact N-O 2.81Å; C150-G188 PolarHBondContact O-N 3.44Å |
| 189 | D | 92.7 | Very high | 77.2 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | trans | -86.4 | 148.6 | -179.1 | -57.9 | -45.6 | 0 | 0 | 0 | 111.9 | N136 | N136-D189 PolarHBondContact ND2-O 3.02Š| ||
| 190 | H | 90.9 | Very high | 75.2 | Confident | 33 Ų | 33 | 84.9 Ų | 84.9 | 15% | 0.153 | 45% | 0.445 | C | S | . | . | trans | -68.2 | 141 | 172.6 | -72.5 | -77 | 0 | 0 | 0 | 112 | C134 C139 Q141 S147 C150 F192 | C134-H190 PolarHBondContact SG-ND1 3.31Å; C134-H190 VanDerWaalsContact SG-ND1 3.39Å; C139-H190 PolarHBondContact SG-CE1 3.36Å; C139-H190 PolarHBondContact SG-ND1 3.3Å; C139-H190 VanDerWaalsContact SG-ND1 3.36Å; Q141-H190 PolarHBondContact OE1-CE1 3.19Å; S147-H190 PolarHBondContact O-CD2 3.3Å; S147-H190 PolarHBondContact O-NE2 2.99Å; C150-H190 HydrophobicContact CB-CB 4.4Å; H190-F192 HydrophobicContact CB-CD2 3.72Å; H190-F192 HydrophobicContact CB-CE1 4.35Å; H190-F192 HydrophobicContact CB-CE2 3.11Å; H190-F192 HydrophobicContact CB-CZ 3.44Å; H190-F192 VanDerWaalsContact CB-CZ 3.44Å; H190-F192 AromaticContact CG-CE2 3.61Å; H190-F192 AromaticContact CG-CZ 3.56Å; H190-F192 AromaticContact ND1-CZ 3.78Å | ||
| 191 | D | 88.5 | Confident | 73.4 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 29% | 0.289 | 43% | 0.433 | S | S | . | . | trans | -101 | 93.8 | 169.6 | -177.7 | 16.6 | 0 | 0 | 0 | 111.3 | C134 K135 S193 | C134-D191 WeakPolarHBondContact CA-O 3.47Å; K135-D191 HydrophobicContact CB-CB 4.34Å; K135-D191 PolarHBondContact N-O 2.69Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.43Å; D191-S193 PolarHBondContact OD1-N 2.78Å; D191-S193 PolarHBondContact OD1-OG 2.83Å | ||
| 192 | F | 87.5 | Confident | 72.4 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 21% | 0.211 | 43% | 0.427 | C | S | . | . | trans | -99.4 | 11.7 | 171.6 | -58.9 | -62.5 | 0 | 0 | 0 | 113 | A132 C134 Q141 A146 H190 H194 | A132-F192 HydrophobicContact CB-CB 4.18Å; A132-F192 HydrophobicContact CB-CD1 4.27Å; C134-F192 HydrophobicContact CB-CD1 4.26Å; C134-F192 HydrophobicContact CB-CE1 3.61Å; C134-F192 HydrophobicContact CB-CZ 4.08Å; Q141-F192 WeakPolarHBondContact O-CE1 3.31Å; A146-F192 HydrophobicContact CB-CE2 3.9Å; A146-F192 HydrophobicContact CB-CZ 3.45Å; A146-F192 VanDerWaalsContact CB-CZ 3.45Å; H190-F192 HydrophobicContact CB-CD2 3.72Å; H190-F192 HydrophobicContact CB-CE1 4.35Å; H190-F192 HydrophobicContact CB-CE2 3.11Å; H190-F192 HydrophobicContact CB-CZ 3.44Å; H190-F192 VanDerWaalsContact CB-CZ 3.44Å; H190-F192 AromaticContact CG-CE2 3.61Å; H190-F192 AromaticContact CG-CZ 3.56Å; H190-F192 AromaticContact ND1-CZ 3.78Å; F192-H194 PolarHBondContact O-N 2.81Å | ||
| 193 | S | 77.1 | Confident | 72 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | trans | -63 | 125.4 | -170.8 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | K135 D191 | K135-S193 PolarHBondContact NZ-O 2.89Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.43Å; D191-S193 PolarHBondContact OD1-N 2.78Å; D191-S193 PolarHBondContact OD1-OG 2.83Å | ||
| 194 | H | 61.7 | Low | 71.9 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | trans | -78.5 | -10.3 | 166.4 | -72.4 | -76.1 | 0 | 0 | 0 | 112.1 | I127 F192 N196 | I127-H194 HydrophobicContact CD1-CB 4.45Å; F192-H194 PolarHBondContact O-N 2.81Å; H194-N196 PolarHBondContact O-N 2.78Å | ||
| 195 | S | 45.9 | Very low | 72 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 42% | 0.42 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -69.8 | 135.8 | 179.6 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | K197 | S195-K197 PolarHBondContact O-N 2.84Š|
| 196 | N | 44.7 | Very low | 72.1 | Confident | 126 Ų | 126 | 80.3 Ų | 80.3 | 67% | 0.674 | 42% | 0.419 | S | S | * | . | trans | -66.1 | 51 | 160.6 | -161.6 | 10.4 | 0 | 0 | 0 | 109.6 | H194 Q198 | H194-N196 PolarHBondContact O-N 2.78Å; N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 2.9Å | ||
| 197 | K | 42.6 | Very low | 72.3 | Confident | 160 Ų | 160 | 82.1 Ų | 82.1 | 70% | 0.696 | 42% | 0.421 | S | S | * | . | trans | -59.6 | 102.8 | 160.6 | -89.4 | -177.8 | 176.8 | -178.7 | 0 | 103.3 | S195 N199 | S195-K197 PolarHBondContact O-N 2.84Å; K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact O-CA 3.46Å; K197-N199 PolarHBondContact O-N 3.33Å | ||
| 198 | Q | 39.7 | Very low | 72.4 | Confident | 175 Ų | 175 | 80.7 Ų | 80.7 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | trans | -11.7 | 92.8 | -179.1 | -77.8 | 178 | -29.8 | 0 | 0 | 109.6 | N196 V200 | N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 2.9Å; Q198-V200 PolarHBondContact O-N 2.8Å | ||
| 199 | N | 40.2 | Very low | 72.6 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | trans | -73 | 81.7 | -179.6 | -145.2 | -18.5 | 0 | 0 | 0 | 103 | K197 S201 | K197-N199 VanDerWaalsContact C-N 3.3Å; K197-N199 WeakPolarHBondContact O-CA 3.46Å; K197-N199 PolarHBondContact O-N 3.33Å; N199-S201 PolarHBondContact O-N 2.81Å | ||
| 200 | V | 48.4 | Very low | 72.7 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 64% | 0.642 | 40% | 0.398 | S | S | * | . | trans | -66.2 | 59.2 | 151.5 | -165.6 | 0 | 0 | 0 | 0 | 104.7 | Q198 A202 | Q198-V200 PolarHBondContact O-N 2.8Å; V200-A202 PolarHBondContact O-N 3.15Å | ||
| 201 | S | 52.1 | Low | 72.7 | Confident | 42 Ų | 42 | 79.3 Ų | 79.3 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | trans | -62.5 | 89.5 | 152.1 | 52.7 | 0 | 0 | 0 | 0 | 101.9 | N199 C203 Y243 | N199-S201 PolarHBondContact O-N 2.81Å; S201-C203 VanDerWaalsContact C-N 3.32Å; S201-C203 PolarHBondContact O-N 3.18Å; S201-Y243 PolarHBondContact O-OH 3.22Å; S201-Y243 VanDerWaalsContact O-OH 3.14Å; S201-Y243 PolarHBondContact OG-OH 3.04Å | ||
| 202 | A | 66.5 | Low | 73 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | trans | -51 | 104.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | V200 R204 | V200-A202 PolarHBondContact O-N 3.15Å; A202-R204 PolarHBondContact O-N 2.76Å | ||
| 203 | C | 79.2 | Confident | 73.4 | Confident | 8 Ų | 8 | 83.7 Ų | 83.7 | 5% | 0.054 | 43% | 0.432 | C | S | . | . | trans | -56.8 | 120.6 | -179 | -170 | 0 | 0 | 0 | 0 | 104.7 | S201 Y205 I218 Y219 F250 | S201-C203 VanDerWaalsContact C-N 3.32Å; S201-C203 PolarHBondContact O-N 3.18Å; C203-Y205 PolarHBondContact O-N 2.9Å; C203-I218 HydrophobicContact CB-CG2 4.31Å; C203-I218 WeakPolarHBondContact SG-CG2 3.27Å; C203-Y219 PolarHBondContact SG-O 2.91Å; C203-F250 HydrophobicContact CB-CB 3.71Å; C203-F250 HydrophobicContact CB-CD1 3.58Å; C203-F250 HydrophobicContact CB-CD2 3.27Å; C203-F250 HydrophobicContact CB-CE1 3.94Å; C203-F250 HydrophobicContact CB-CE2 3.67Å; C203-F250 HydrophobicContact CB-CG 3.21Å; C203-F250 HydrophobicContact CB-CZ 3.98Å; C203-F250 WeakPolarHBondContact O-CE2 3.25Å; C203-F250 WeakPolarHBondContact O-CZ 3.37Å | ||
| 204 | R | 89.5 | Confident | 74.4 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | trans | -58.8 | 135.6 | 176.6 | 179.1 | 175.8 | 172.5 | -104.1 | -12.9 | 106.1 | A202 D206 Y219 | A202-R204 PolarHBondContact O-N 2.76Å; R204-D206 IonicContact CZ-OD2 3.56Å; R204-D206 IonicContact NH1-OD2 3.62Å; R204-D206 IonicContact NH2-OD2 2.7Å; R204-D206 PolarHBondContact NH2-OD2 3.18Å; R204-Y219 HydrophobicContact CB-CD2 4.14Å; R204-Y219 HydrophobicContact CG-CD2 4.02Å; R204-Y219 HydrophobicContact CG-CE2 4.41Å; R204-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R204-Y219 VanDerWaalsContact NH1-CZ 3.32Å; R204-Y219 PolarHBondContact NH1-OH 3.37Å; R204-Y219 VanDerWaalsContact O-CD2 3.32Å; R204-Y219 WeakPolarHBondContact O-CD2 3.25Å; R204-Y219 PolarHBondContact O-N 2.77Å | ||
| 205 | Y | 94 | Very high | 76.2 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.9 | 162.9 | 70.5 | -84.3 | 0 | 0 | 0 | 109 | C203 V216 N217 F250 L252 L289 | C203-Y205 PolarHBondContact O-N 2.9Å; Y205-V216 HydrophobicContact CD2-CG1 4.28Å; Y205-N217 CarbonylContact C-O 3.51Å; Y205-N217 WeakPolarHBondContact CA-O 3.27Å; Y205-N217 WeakPolarHBondContact CB-O 3.38Å; Y205-F250 AromaticContact CD1-CZ 3.94Å; Y205-F250 HydrophobicContact CD1-CZ 3.94Å; Y205-L252 HydrophobicContact CD1-CD1 4.13Å; Y205-L252 HydrophobicContact CD2-CD1 4.46Å; Y205-L252 HydrophobicContact CD2-CD2 4.25Å; Y205-L252 HydrophobicContact CE1-CD1 3.64Å; Y205-L252 HydrophobicContact CE2-CD1 4.02Å; Y205-L252 HydrophobicContact CE2-CD2 4.45Å; Y205-L252 HydrophobicContact CG-CD2 4.36Å; Y205-L289 HydrophobicContact CE2-CD2 4.2Å |
| 206 | D | 94.5 | Very high | 78.6 | Confident | 37 Ų | 37 | 74 Ų | 74 | 20% | 0.198 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 172 | 168.8 | 63.9 | 32.6 | 0 | 0 | 0 | 109.7 | R204 V216 N217 Y219 | R204-D206 IonicContact CZ-OD2 3.56Å; R204-D206 IonicContact NH1-OD2 3.62Å; R204-D206 IonicContact NH2-OD2 2.7Å; R204-D206 PolarHBondContact NH2-OD2 3.18Å; D206-V216 CarbonylContact O-C 3.29Å; D206-V216 WeakPolarHBondContact O-CA 3.18Å; D206-N217 PolarHBondContact N-O 3.43Å; D206-N217 PolarHBondContact O-N 3.26Å; D206-N217 WeakPolarHBondContact OD1-CB 3.17Å; D206-N217 PolarHBondContact OD1-ND2 2.93Å; D206-Y219 HydrophobicContact CB-CE2 4.48Å; D206-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D206-Y219 WeakPolarHBondContact OD2-CE2 3.24Å; D206-Y219 PolarHBondContact OD2-OH 3.34Å |
| 207 | W | 97 | Very high | 81.1 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.7 | 177.2 | 71.2 | -78.5 | 0 | 0 | 0 | 110.6 | Q209 V214 T215 V216 W286 L289 | W207-Q209 HydrophobicContact CZ3-CB 4.23Å; W207-Q209 HydrophobicContact CZ3-CG 4.06Å; W207-V214 HydrophobicContact CE3-CG1 3.95Å; W207-T215 CarbonylContact C-O 3.45Å; W207-T215 WeakPolarHBondContact CA-O 3.43Å; W207-T215 WeakPolarHBondContact CB-O 3.45Å; W207-V216 HydrophobicContact CB-CG2 4.27Å; W207-W286 HydrophobicContact CZ3-CB 4.48Å; W207-L289 HydrophobicContact CB-CD1 4.32Å; W207-L289 HydrophobicContact CB-CD2 3.99Å; W207-L289 HydrophobicContact CD2-CB 3.73Å; W207-L289 HydrophobicContact CD2-CD1 4.41Å; W207-L289 HydrophobicContact CE3-CB 4.38Å; W207-L289 HydrophobicContact CG-CB 3.78Å; W207-L289 HydrophobicContact CG-CD1 4.3Å; W207-L289 HydrophobicContact CG-CD2 3.96Å; W207-L289 HydrophobicContact CG-CG 4.24Å; W207-L289 HydrophobicContact CZ2-CB 4.3Å; W207-L289 VanDerWaalsContact CZ2-N 3.33Å |
| 208 | F | 95.8 | Very high | 83.7 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 45% | 0.452 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 170.8 | 170.3 | 63.3 | -84.9 | 0 | 0 | 0 | 108.4 | T215 N217 | F208-T215 HydrophobicContact CD1-CG2 4.42Å; F208-T215 HydrophobicContact CE1-CG2 3.54Å; F208-T215 HydrophobicContact CE2-CG2 4.35Å; F208-T215 HydrophobicContact CZ-CG2 3.51Å; F208-T215 PolarHBondContact N-O 2.86Å; F208-T215 PolarHBondContact O-N 2.68Å; F208-N217 WeakPolarHBondContact CE1-ND2 3.37Å |
| 209 | Q | 96.5 | Very high | 86.4 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 27% | 0.271 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.8 | -175.8 | 62.1 | 179 | -43.1 | 0 | 0 | 111.8 | W207 E213 V214 W286 | W207-Q209 HydrophobicContact CZ3-CB 4.23Å; W207-Q209 HydrophobicContact CZ3-CG 4.06Å; Q209-E213 WeakPolarHBondContact CA-O 3.43Å; Q209-E213 WeakPolarHBondContact CB-O 3.38Å; Q209-V214 HydrophobicContact CB-CG2 4.17Å; Q209-W286 PolarHBondContact NE2-O 3.45Å |
| 210 | T | 94 | Very high | 88.9 | Confident | 60 Ų | 60 | 53.2 Ų | 53.2 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | trans | -105.6 | -179.9 | 162.1 | 73.3 | 0 | 0 | 0 | 0 | 108.9 | K212 E213 K280 | T210-K212 PolarHBondContact O-N 2.92Å; T210-K212 VanDerWaalsContact O-N 3.12Å; T210-K212 PolarHBondContact OG1-N 3.25Å; T210-E213 HydrophobicContact CG2-CG 4.36Å; T210-E213 WeakPolarHBondContact CG2-OE1 3.48Å; T210-E213 PolarHBondContact N-O 2.94Å; T210-E213 WeakPolarHBondContact OG1-CG 3.34Å; T210-E213 PolarHBondContact OG1-N 3Å; T210-E213 PolarHBondContact OG1-OE1 3.17Å; T210-K280 PolarHBondContact O-NZ 3.16Å | ||
| 211 | G | 91.8 | Very high | 91.1 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -59.5 | -22.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P283 G284 | G211-P283 WeakPolarHBondContact O-CA 3.25Å; G211-G284 PolarHBondContact O-N 3.06Å; G211-G284 VanDerWaalsContact O-N 3.15Å |
| 212 | K | 95 | Very high | 93 | Very high | 136 Ų | 136 | 52.8 Ų | 52.8 | 59% | 0.591 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -117.6 | -14.5 | -171.3 | -61.5 | -177.4 | -178.2 | 179.1 | 0 | 114.5 | T210 K280 | T210-K212 PolarHBondContact O-N 2.92Å; T210-K212 VanDerWaalsContact O-N 3.12Å; T210-K212 PolarHBondContact OG1-N 3.25Å; K212-K280 WeakPolarHBondContact O-CB 3.34Å; K212-K280 PolarHBondContact O-N 3.01Å |
| 213 | E | 96.5 | Very high | 94.4 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 162.4 | -177.4 | 76.4 | -132 | 140.6 | 0 | 0 | 112.4 | Q209 T210 L278 K280 | Q209-E213 WeakPolarHBondContact CA-O 3.43Å; Q209-E213 WeakPolarHBondContact CB-O 3.38Å; T210-E213 HydrophobicContact CG2-CG 4.36Å; T210-E213 WeakPolarHBondContact CG2-OE1 3.48Å; T210-E213 PolarHBondContact N-O 2.94Å; T210-E213 WeakPolarHBondContact OG1-CG 3.34Å; T210-E213 PolarHBondContact OG1-N 3Å; T210-E213 PolarHBondContact OG1-OE1 3.17Å; E213-L278 CarbonylContact C-O 3.45Å; E213-L278 VanDerWaalsContact CA-O 3.26Å; E213-L278 WeakPolarHBondContact CA-O 3.3Å; E213-L278 WeakPolarHBondContact CB-O 3.48Å; E213-K280 WeakPolarHBondContact O-CE 3.38Å |
| 214 | V | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.7 | 170.1 | -180 | 0 | 0 | 0 | 0 | 107.3 | W207 Q209 V216 L278 K280 W286 L289 | W207-V214 HydrophobicContact CE3-CG1 3.95Å; Q209-V214 HydrophobicContact CB-CG2 4.17Å; V214-V216 HydrophobicContact CG1-CG2 4.42Å; V214-L278 HydrophobicContact CB-CB 4.33Å; V214-L278 PolarHBondContact N-O 3.25Å; V214-L278 PolarHBondContact O-N 3.43Å; V214-K280 HydrophobicContact CG2-CD 4.37Å; V214-K280 HydrophobicContact CG2-CG 4.17Å; V214-W286 HydrophobicContact CG2-CD2 3.76Å; V214-W286 HydrophobicContact CG2-CE3 3.79Å; V214-W286 HydrophobicContact CG2-CG 4.34Å; V214-W286 HydrophobicContact CG2-CH2 4.21Å; V214-W286 HydrophobicContact CG2-CZ2 4.19Å; V214-W286 HydrophobicContact CG2-CZ3 4.02Å; V214-L289 HydrophobicContact CG1-CD1 3.74Å |
| 215 | T | 98.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.4 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 109 | W207 F208 I276 Q277 | W207-T215 CarbonylContact C-O 3.45Å; W207-T215 WeakPolarHBondContact CA-O 3.43Å; W207-T215 WeakPolarHBondContact CB-O 3.45Å; F208-T215 HydrophobicContact CD1-CG2 4.42Å; F208-T215 HydrophobicContact CE1-CG2 3.54Å; F208-T215 HydrophobicContact CE2-CG2 4.35Å; F208-T215 HydrophobicContact CZ-CG2 3.51Å; F208-T215 PolarHBondContact N-O 2.86Å; F208-T215 PolarHBondContact O-N 2.68Å; T215-I276 CarbonylContact C-O 3.58Å; T215-I276 VanDerWaalsContact CA-O 3.25Å; T215-I276 WeakPolarHBondContact CA-O 3.46Å; T215-Q277 HydrophobicContact CG2-CG 4.47Å |
| 216 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.7 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | Y205 D206 W207 V214 L237 L252 I276 L278 L289 | Y205-V216 HydrophobicContact CD2-CG1 4.28Å; D206-V216 CarbonylContact O-C 3.29Å; D206-V216 WeakPolarHBondContact O-CA 3.18Å; W207-V216 HydrophobicContact CB-CG2 4.27Å; V214-V216 HydrophobicContact CG1-CG2 4.42Å; V216-L237 HydrophobicContact CG2-CD2 4.18Å; V216-L252 HydrophobicContact CG1-CD2 4.28Å; V216-I276 HydrophobicContact CB-CB 4.23Å; V216-I276 PolarHBondContact N-O 3.07Å; V216-I276 PolarHBondContact O-N 2.75Å; V216-L278 HydrophobicContact CG2-CD1 4.4Å; V216-L289 HydrophobicContact CG1-CD2 4.41Å; V216-L289 HydrophobicContact CG2-CD1 3.74Å; V216-L289 HydrophobicContact CG2-CD2 3.97Å |
| 217 | N | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.2 | 174.9 | -55.6 | -50.5 | 0 | 0 | 0 | 109.9 | Y205 D206 F208 Y219 I274 | Y205-N217 CarbonylContact C-O 3.51Å; Y205-N217 WeakPolarHBondContact CA-O 3.27Å; Y205-N217 WeakPolarHBondContact CB-O 3.38Å; D206-N217 PolarHBondContact N-O 3.43Å; D206-N217 PolarHBondContact O-N 3.26Å; D206-N217 WeakPolarHBondContact OD1-CB 3.17Å; D206-N217 PolarHBondContact OD1-ND2 2.93Å; F208-N217 WeakPolarHBondContact CE1-ND2 3.37Å; N217-Y219 HydrophobicContact CB-CE2 4.17Å; N217-I274 CarbonylContact C-O 3.56Å; N217-I274 VanDerWaalsContact CA-O 3.29Å; N217-I274 WeakPolarHBondContact CA-O 3.21Å |
| 218 | I | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.5 | 170.7 | -60.3 | 173.7 | 0 | 0 | 0 | 107.8 | C203 A220 A239 I241 F250 L252 K273 I274 I276 | C203-I218 HydrophobicContact CB-CG2 4.31Å; C203-I218 WeakPolarHBondContact SG-CG2 3.27Å; I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 HydrophobicContact CG2-CB 4.36Å; I218-A220 PolarHBondContact O-N 3.43Å; I218-A239 HydrophobicContact CD1-CB 3.86Å; I218-I241 HydrophobicContact CD1-CG1 4.25Å; I218-F250 HydrophobicContact CD1-CE1 4.24Å; I218-F250 HydrophobicContact CG1-CE1 4.42Å; I218-F250 HydrophobicContact CG2-CD1 3.82Å; I218-F250 HydrophobicContact CG2-CE1 3.82Å; I218-L252 HydrophobicContact CD1-CD2 4.26Å; I218-K273 CarbonylContact O-C 3.44Å; I218-K273 WeakPolarHBondContact O-CA 3.44Å; I218-K273 WeakPolarHBondContact O-CB 3.44Å; I218-I274 HydrophobicContact CB-CB 4.34Å; I218-I274 PolarHBondContact N-O 3.06Å; I218-I274 PolarHBondContact O-N 2.93Å; I218-I276 HydrophobicContact CD1-CD1 3.82Å |
| 219 | Y | 95.3 | Very high | 95.1 | Very high | 82 Ų | 82 | 52.5 Ų | 52.5 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | trans | -85.1 | 71.2 | -174.5 | -67.2 | -90.2 | 0 | 0 | 0 | 112.1 | C203 R204 D206 N217 K273 | C203-Y219 PolarHBondContact SG-O 2.91Å; R204-Y219 HydrophobicContact CB-CD2 4.14Å; R204-Y219 HydrophobicContact CG-CD2 4.02Å; R204-Y219 HydrophobicContact CG-CE2 4.41Å; R204-Y219 VanDerWaalsContact NH1-CE2 3.3Å; R204-Y219 VanDerWaalsContact NH1-CZ 3.32Å; R204-Y219 PolarHBondContact NH1-OH 3.37Å; R204-Y219 VanDerWaalsContact O-CD2 3.32Å; R204-Y219 WeakPolarHBondContact O-CD2 3.25Å; R204-Y219 PolarHBondContact O-N 2.77Å; D206-Y219 HydrophobicContact CB-CE2 4.48Å; D206-Y219 VanDerWaalsContact OD2-CE2 3.24Å; D206-Y219 WeakPolarHBondContact OD2-CE2 3.24Å; D206-Y219 PolarHBondContact OD2-OH 3.34Å; N217-Y219 HydrophobicContact CB-CE2 4.17Å; Y219-K273 HydrophobicContact CD1-CB 4.29Å; Y219-K273 HydrophobicContact CE1-CD 4.43Å | ||
| 220 | A | 93.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -109.1 | 118.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I218 I241 Y243 S272 K273 I274 | I218-A220 VanDerWaalsContact C-N 3.31Å; I218-A220 HydrophobicContact CG2-CB 4.36Å; I218-A220 PolarHBondContact O-N 3.43Å; A220-I241 HydrophobicContact CB-CG2 3.87Å; A220-Y243 HydrophobicContact CB-CD1 4.37Å; A220-Y243 HydrophobicContact CB-CD2 4.27Å; A220-Y243 HydrophobicContact CB-CG 3.9Å; A220-S272 CarbonylContact O-C 3.58Å; A220-K273 PolarHBondContact O-N 2.76Å; A220-I274 HydrophobicContact CB-CD1 4.46Å | ||
| 221 | R | 93.7 | Very high | 95.3 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 53% | 0.528 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -83.2 | 142.4 | 174.4 | -178.5 | -177.9 | 174.9 | -174 | -2.1 | 110.5 | L110 T223 Y243 D244 A271 | L110-R221 HydrophobicContact CD2-CG 4.39Å; R221-T223 PolarHBondContact O-N 2.63Å; R221-Y243 WeakPolarHBondContact O-CB 3.24Å; R221-D244 PolarHBondContact O-N 2.86Å; R221-A271 WeakPolarHBondContact CA-O 3.14Å |
| 222 | A | 94 | Very high | 95.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 54.1 | 50.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | L110 V224 Y245 A271 | L110-A222 HydrophobicContact CD2-CB 3.79Å; A222-V224 PolarHBondContact O-N 2.83Å; A222-Y245 HydrophobicContact CB-CD1 3.74Å; A222-Y245 HydrophobicContact CB-CD2 4.13Å; A222-Y245 HydrophobicContact CB-CE1 3.58Å; A222-Y245 HydrophobicContact CB-CE2 4.03Å; A222-Y245 HydrophobicContact CB-CG 4.02Å; A222-Y245 PolarHBondContact O-N 3.44Å; A222-A271 PolarHBondContact N-O 2.88Å |
| 223 | T | 95 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -59.2 | 134.7 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | W111 R221 S228 I241 T242 L269 I274 | W111-T223 PolarHBondContact NE1-O 2.96Å; W111-T223 VanDerWaalsContact NE1-O 3.09Å; R221-T223 PolarHBondContact O-N 2.63Å; T223-S228 WeakPolarHBondContact CG2-OG 3.04Å; T223-I241 HydrophobicContact CG2-CG2 4.09Å; T223-T242 WeakPolarHBondContact CA-O 3.43Å; T223-L269 HydrophobicContact CG2-CD2 3.7Å; T223-I274 HydrophobicContact CG2-CD1 3.83Å | ||
| 224 | V | 94.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 37.5 Ų | 37.5 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | trans | -88.7 | 104.2 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | W111 A222 E226 K227 S228 T242 | W111-V224 HydrophobicContact CH2-CG2 3.97Å; W111-V224 HydrophobicContact CZ2-CG2 3.79Å; A222-V224 PolarHBondContact O-N 2.83Å; V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 2.83Å; V224-K227 HydrophobicContact CB-CB 4.21Å; V224-K227 HydrophobicContact CG1-CB 3.88Å; V224-K227 HydrophobicContact CG1-CD 4.06Å; V224-K227 HydrophobicContact CG1-CG 3.84Å; V224-K227 CarbonylContact O-C 3.5Å; V224-K227 PolarHBondContact O-N 2.8Å; V224-S228 WeakPolarHBondContact O-CB 3.21Å; V224-S228 PolarHBondContact O-N 2.76Å; V224-S228 PolarHBondContact O-OG 2.83Å; V224-T242 HydrophobicContact CB-CG2 4.1Å; V224-T242 HydrophobicContact CG2-CG2 3.99Å; V224-T242 PolarHBondContact N-O 2.97Å | ||
| 225 | V | 94 | Very high | 95.2 | Very high | 54 Ų | 54 | 37.7 Ų | 37.7 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -58.6 | -45.3 | -172.4 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | V103 L107 K227 S228 L269 | V103-V225 HydrophobicContact CG2-CG1 4.05Å; V103-V225 HydrophobicContact CG2-CG2 3.73Å; L107-V225 HydrophobicContact CD2-CG2 4.36Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.26Å; V225-S228 PolarHBondContact O-N 2.85Å; V225-L269 HydrophobicContact CG2-CD2 4.03Å |
| 226 | E | 93.2 | Very high | 95 | Very high | 195 Ų | 195 | 39.7 Ų | 39.7 | 91% | 0.911 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -70.4 | -20.1 | -176.3 | -61.2 | 174.6 | -172.6 | 0 | 0 | 113.9 | V224 | V224-E226 VanDerWaalsContact C-N 3.34Å; V224-E226 PolarHBondContact O-N 2.83Å |
| 227 | K | 92.9 | Very high | 95 | Very high | 141 Ų | 141 | 39.7 Ų | 39.7 | 61% | 0.613 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -107.8 | 15.6 | 178.5 | -61.9 | -174.9 | -179.6 | 178.1 | 0 | 112.2 | V224 V225 T242 | V224-K227 HydrophobicContact CB-CB 4.21Å; V224-K227 HydrophobicContact CG1-CB 3.88Å; V224-K227 HydrophobicContact CG1-CD 4.06Å; V224-K227 HydrophobicContact CG1-CG 3.84Å; V224-K227 CarbonylContact O-C 3.5Å; V224-K227 PolarHBondContact O-N 2.8Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.26Å; K227-T242 HydrophobicContact CB-CG2 4.11Å; K227-T242 HydrophobicContact CD-CG2 4.25Å; K227-T242 WeakPolarHBondContact O-CB 3.38Å; K227-T242 PolarHBondContact O-OG1 2.95Å |
| 228 | S | 94.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | trans | -123.4 | 137 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | T223 V224 V225 E240 T242 | T223-S228 WeakPolarHBondContact CG2-OG 3.04Å; V224-S228 WeakPolarHBondContact O-CB 3.21Å; V224-S228 PolarHBondContact O-N 2.76Å; V224-S228 PolarHBondContact O-OG 2.83Å; V225-S228 PolarHBondContact O-N 2.85Å; S228-E240 CarbonylContact C-O 3.55Å; S228-E240 WeakPolarHBondContact CA-O 3.48Å; S228-T242 PolarHBondContact OG-N 3.27Å; S228-T242 VanDerWaalsContact OG-N 3.11Å; S228-T242 PolarHBondContact OG-O 3.37Å | ||
| 229 | L | 95.9 | Very high | 94.9 | Very high | 78 Ų | 78 | 41.7 Ų | 41.7 | 41% | 0.408 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134 | -179.6 | 176.8 | 65.6 | 0 | 0 | 0 | 109.6 | A98 A239 E240 | A98-L229 HydrophobicContact CB-CD1 4.02Å; L229-A239 CarbonylContact O-C 3.55Å; L229-A239 WeakPolarHBondContact O-CA 3.38Å; L229-E240 HydrophobicContact CB-CB 4.45Å; L229-E240 PolarHBondContact N-O 2.76Å; L229-E240 PolarHBondContact O-N 3.2Å |
| 230 | I | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.4 | 171.1 | -56.1 | 168.7 | 0 | 0 | 0 | 106.7 | A98 V99 M101 L237 A239 I241 A267 I274 I276 | A98-I230 WeakPolarHBondContact CA-O 3.44Å; V99-I230 HydrophobicContact CG2-CB 3.76Å; V99-I230 HydrophobicContact CG2-CG2 3.54Å; V99-I230 PolarHBondContact N-O 3.32Å; M101-I230 HydrophobicContact CE-CD1 4.24Å; M101-I230 HydrophobicContact CG-CD1 4.3Å; M101-I230 HydrophobicContact SD-CD1 4.29Å; M101-I230 HydrophobicContact SD-CG1 4.29Å; I230-L237 HydrophobicContact CG2-CD1 4.09Å; I230-A239 HydrophobicContact CG1-CB 4.22Å; I230-I241 HydrophobicContact CD1-CD1 4.26Å; I230-I241 HydrophobicContact CG1-CD1 3.97Å; I230-A267 HydrophobicContact CD1-CB 3.59Å; I230-I274 HydrophobicContact CD1-CG2 3.74Å; I230-I276 HydrophobicContact CD1-CD1 4.23Å; I230-I276 HydrophobicContact CD1-CG1 4.12Å; I230-I276 HydrophobicContact CG2-CD1 3.83Å; I230-I276 HydrophobicContact CG2-CG1 4.25Å; I230-I276 HydrophobicContact CG2-CG2 4.27Å |
| 231 | A | 97.2 | Very high | 95 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L96 K97 K238 | L96-A231 HydrophobicContact CB-CB 3.93Å; K97-A231 CarbonylContact O-C 3.51Å; K97-A231 VanDerWaalsContact O-CA 3.23Å; K97-A231 WeakPolarHBondContact O-CA 3.39Å; A231-K238 PolarHBondContact N-O 2.96Å; A231-K238 PolarHBondContact O-N 3.32Å; A231-K238 VanDerWaalsContact O-O 3.05Å |
| 232 | V | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144 | -172 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | K97 V99 H236 L237 V260 V262 L278 | K97-V232 PolarHBondContact N-O 2.92Å; K97-V232 PolarHBondContact O-N 2.79Å; V99-V232 HydrophobicContact CG1-CB 3.98Å; V99-V232 HydrophobicContact CG1-CG2 3.78Å; V232-H236 VanDerWaalsContact CA-O 3.31Å; V232-H236 WeakPolarHBondContact CA-O 3.25Å; V232-L237 HydrophobicContact CG2-CD1 3.51Å; V232-V260 HydrophobicContact CG1-CG2 3.61Å; V232-V262 HydrophobicContact CG1-CG2 4.49Å; V232-L278 HydrophobicContact CG1-CD2 4.22Å; V232-L278 HydrophobicContact CG2-CD2 3.87Å |
| 233 | N | 94.2 | Very high | 95 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -171.8 | 160.7 | 70.9 | 20.2 | 0 | 0 | 0 | 109.1 | T92 E94 L96 V235 H236 V260 V262 | T92-N233 VanDerWaalsContact CG2-ND2 3.25Å; T92-N233 WeakPolarHBondContact CG2-ND2 3.4Å; E94-N233 HydrophobicContact CB-CB 4.23Å; E94-N233 HydrophobicContact CG-CB 4.14Å; E94-N233 PolarHBondContact O-ND2 3.46Å; L96-N233 HydrophobicContact CD2-CB 4.22Å; N233-V235 PolarHBondContact O-N 3.46Å; N233-V235 PolarHBondContact OD1-N 3.04Å; N233-H236 PolarHBondContact N-O 2.7Å; N233-H236 WeakPolarHBondContact OD1-CA 3.33Å; N233-H236 WeakPolarHBondContact OD1-CB 3.44Å; N233-H236 PolarHBondContact OD1-N 2.85Å; N233-V260 VanDerWaalsContact O-CG2 3.26Å; N233-V260 WeakPolarHBondContact O-CG2 3.28Å; N233-V262 VanDerWaalsContact C-CG2 3.48Å |
| 234 | S | 93.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -26.5 | -178.9 | 47.3 | 0 | 0 | 0 | 0 | 115.3 | E94 E259 V260 | E94-S234 WeakPolarHBondContact OE2-CB 3.21Å; E94-S234 PolarHBondContact OE2-N 3.34Å; E94-S234 PolarHBondContact OE2-OG 3.07Å; S234-E259 CarbonylContact O-C 3.5Å; S234-E259 WeakPolarHBondContact O-CA 3.44Å; S234-V260 PolarHBondContact O-N 2.83Å |
| 235 | V | 93.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | 18 | -175.3 | -60.9 | 0 | 0 | 0 | 0 | 114.7 | T92 N233 L256 E259 | T92-V235 HydrophobicContact CG2-CG2 3.69Å; T92-V235 WeakPolarHBondContact OG1-CG2 3.37Å; N233-V235 PolarHBondContact O-N 3.46Å; N233-V235 PolarHBondContact OD1-N 3.04Å; V235-L256 WeakPolarHBondContact O-CB 3.42Å; V235-L256 PolarHBondContact O-N 2.74Å; V235-E259 HydrophobicContact CG1-CG 3.66Å |
| 236 | H | 95.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 23% | 0.231 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.3 | -173.5 | -147.7 | 88.6 | 0 | 0 | 0 | 110.9 | L96 V232 N233 D253 P255 | L96-H236 HydrophobicContact CD2-CB 4.28Å; V232-H236 VanDerWaalsContact CA-O 3.31Å; V232-H236 WeakPolarHBondContact CA-O 3.25Å; N233-H236 PolarHBondContact N-O 2.7Å; N233-H236 WeakPolarHBondContact OD1-CA 3.33Å; N233-H236 WeakPolarHBondContact OD1-CB 3.44Å; N233-H236 PolarHBondContact OD1-N 2.85Å; H236-D253 IonicContact CD2-OD1 3.64Å; H236-D253 PolarHBondContact CD2-OD1 3.38Å; H236-D253 IonicContact CE1-OD1 3.37Å; H236-D253 IonicContact NE2-OD1 3.75Å; H236-D253 PolarHBondContact NE2-OD1 3.12Å; H236-P255 WeakPolarHBondContact ND1-CA 3.26Å |
| 237 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 176.6 | 166.9 | 65.1 | 0 | 0 | 0 | 109 | V216 I230 V232 L252 I254 L256 I276 L278 | V216-L237 HydrophobicContact CG2-CD2 4.18Å; I230-L237 HydrophobicContact CG2-CD1 4.09Å; V232-L237 HydrophobicContact CG2-CD1 3.51Å; L237-L252 HydrophobicContact CD2-CD2 4.24Å; L237-I254 HydrophobicContact CB-CG1 4.14Å; L237-I254 HydrophobicContact CD2-CD1 4.32Å; L237-I254 HydrophobicContact CD2-CG1 4.43Å; L237-I254 PolarHBondContact N-O 3.24Å; L237-I254 PolarHBondContact O-N 3.11Å; L237-L256 HydrophobicContact CB-CD1 4.23Å; L237-L256 HydrophobicContact CB-CD2 3.89Å; L237-L256 HydrophobicContact CB-CG 4.12Å; L237-I276 HydrophobicContact CD1-CD1 4.21Å; L237-I276 HydrophobicContact CD1-CG2 4.39Å; L237-I276 HydrophobicContact CD2-CD1 4.34Å; L237-L278 HydrophobicContact CD2-CD1 4.41Å |
| 238 | K | 96.2 | Very high | 94 | Very high | 48 Ų | 48 | 29 Ų | 29 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.6 | 169.3 | -167.6 | 175.1 | -167.1 | -160.5 | 0 | 110.4 | L96 A231 E240 E251 L252 D253 | L96-K238 HydrophobicContact CD1-CB 3.89Å; L96-K238 HydrophobicContact CD1-CD 4.11Å; A231-K238 PolarHBondContact N-O 2.96Å; A231-K238 PolarHBondContact O-N 3.32Å; A231-K238 VanDerWaalsContact O-O 3.05Å; K238-E240 WeakPolarHBondContact CE-OE1 3.32Å; K238-E240 IonicContact NZ-OE1 2.64Å; K238-E240 PolarHBondContact NZ-OE1 2.81Å; K238-E251 VanDerWaalsContact CE-OE1 3.26Å; K238-E251 WeakPolarHBondContact CE-OE1 3.23Å; K238-E251 IonicContact NZ-OE1 2.96Å; K238-L252 CarbonylContact C-O 3.53Å; K238-L252 VanDerWaalsContact CA-O 3.28Å; K238-L252 WeakPolarHBondContact CA-O 3.37Å; K238-D253 HydrophobicContact CG-CB 4.4Å |
| 239 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 122.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I218 L229 I230 I241 E251 L252 I276 | I218-A239 HydrophobicContact CD1-CB 3.86Å; L229-A239 CarbonylContact O-C 3.55Å; L229-A239 WeakPolarHBondContact O-CA 3.38Å; I230-A239 HydrophobicContact CG1-CB 4.22Å; A239-I241 HydrophobicContact CB-CD1 4.33Å; A239-I241 HydrophobicContact CB-CG1 4.36Å; A239-E251 CarbonylContact O-C 3.55Å; A239-E251 WeakPolarHBondContact O-CA 3.15Å; A239-L252 HydrophobicContact CB-CB 4.33Å; A239-L252 PolarHBondContact N-O 2.9Å; A239-L252 PolarHBondContact O-N 3.4Å; A239-I276 HydrophobicContact CB-CD1 4.32Å |
| 240 | E | 95.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.7 | 175.8 | -66.7 | 174.3 | -172.6 | 0 | 0 | 107.2 | S228 L229 K238 F249 E251 | S228-E240 CarbonylContact C-O 3.55Å; S228-E240 WeakPolarHBondContact CA-O 3.48Å; L229-E240 HydrophobicContact CB-CB 4.45Å; L229-E240 PolarHBondContact N-O 2.76Å; L229-E240 PolarHBondContact O-N 3.2Å; K238-E240 WeakPolarHBondContact CE-OE1 3.32Å; K238-E240 IonicContact NZ-OE1 2.64Å; K238-E240 PolarHBondContact NZ-OE1 2.81Å; E240-F249 HydrophobicContact CB-CE2 4Å; E240-F249 HydrophobicContact CB-CZ 3.91Å; E240-F249 HydrophobicContact CG-CZ 4.16Å; E240-E251 HydrophobicContact CG-CG 4.39Å |
| 241 | I | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.3 | -167.7 | -55.7 | -54.3 | 0 | 0 | 0 | 110.2 | I218 A220 T223 I230 A239 Y243 F249 F250 I274 | I218-I241 HydrophobicContact CD1-CG1 4.25Å; A220-I241 HydrophobicContact CB-CG2 3.87Å; T223-I241 HydrophobicContact CG2-CG2 4.09Å; I230-I241 HydrophobicContact CD1-CD1 4.26Å; I230-I241 HydrophobicContact CG1-CD1 3.97Å; A239-I241 HydrophobicContact CB-CD1 4.33Å; A239-I241 HydrophobicContact CB-CG1 4.36Å; I241-Y243 HydrophobicContact CG2-CD1 4.49Å; I241-F249 CarbonylContact O-C 3.59Å; I241-F249 WeakPolarHBondContact O-CA 3.43Å; I241-F250 HydrophobicContact CB-CB 4.49Å; I241-F250 PolarHBondContact N-O 3.16Å; I241-F250 PolarHBondContact O-N 2.95Å; I241-I274 HydrophobicContact CB-CD1 4.32Å; I241-I274 HydrophobicContact CD1-CD1 3.46Å; I241-I274 VanDerWaalsContact CD1-CD1 3.46Å; I241-I274 HydrophobicContact CG1-CD1 3.83Å; I241-I274 HydrophobicContact CG2-CD1 3.51Å |
| 242 | T | 94 | Very high | 93.3 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.5 | 168.7 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | T223 V224 K227 S228 K248 | T223-T242 WeakPolarHBondContact CA-O 3.43Å; V224-T242 HydrophobicContact CB-CG2 4.1Å; V224-T242 HydrophobicContact CG2-CG2 3.99Å; V224-T242 PolarHBondContact N-O 2.97Å; K227-T242 HydrophobicContact CB-CG2 4.11Å; K227-T242 HydrophobicContact CD-CG2 4.25Å; K227-T242 WeakPolarHBondContact O-CB 3.38Å; K227-T242 PolarHBondContact O-OG1 2.95Å; S228-T242 PolarHBondContact OG-N 3.27Å; S228-T242 VanDerWaalsContact OG-N 3.11Å; S228-T242 PolarHBondContact OG-O 3.37Å; T242-K248 CarbonylContact C-O 3.56Å; T242-K248 WeakPolarHBondContact CA-O 3.32Å |
| 243 | Y | 93.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 38 Ų | 38 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | -177.7 | -172.3 | 72.9 | -80.9 | 0 | 0 | 0 | 112.4 | S201 A220 R221 I241 G246 E247 K248 F250 | S201-Y243 PolarHBondContact O-OH 3.22Å; S201-Y243 VanDerWaalsContact O-OH 3.14Å; S201-Y243 PolarHBondContact OG-OH 3.04Å; A220-Y243 HydrophobicContact CB-CD1 4.37Å; A220-Y243 HydrophobicContact CB-CD2 4.27Å; A220-Y243 HydrophobicContact CB-CG 3.9Å; R221-Y243 WeakPolarHBondContact O-CB 3.24Å; I241-Y243 HydrophobicContact CG2-CD1 4.49Å; Y243-G246 PolarHBondContact O-N 3.14Å; Y243-G246 VanDerWaalsContact O-N 3.1Å; Y243-E247 PolarHBondContact O-N 3.48Å; Y243-K248 HydrophobicContact CD1-CB 3.86Å; Y243-K248 HydrophobicContact CD2-CB 4.11Å; Y243-K248 HydrophobicContact CD2-CD 4.41Å; Y243-K248 HydrophobicContact CE1-CB 3.45Å; Y243-K248 VanDerWaalsContact CE1-CB 3.45Å; Y243-K248 HydrophobicContact CE2-CB 3.73Å; Y243-K248 HydrophobicContact CE2-CD 3.58Å; Y243-K248 HydrophobicContact CE2-CG 4.31Å; Y243-K248 HydrophobicContact CG-CB 4.17Å; Y243-K248 PolarHBondContact N-O 2.77Å; Y243-K248 PolarHBondContact O-N 2.91Å; Y243-K248 VanDerWaalsContact O-N 3.11Å; Y243-F250 HydrophobicContact CD1-CB 4.45Å; Y243-F250 HydrophobicContact CE1-CB 3.92Å |
| 244 | D | 92 | Very high | 93.1 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 19% | 0.193 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | 57.1 | 50.1 | -175.6 | -148.5 | 14.7 | 0 | 0 | 0 | 111.1 | R221 G246 E247 K248 | R221-D244 PolarHBondContact O-N 2.86Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 VanDerWaalsContact O-N 3.09Å; D244-E247 WeakPolarHBondContact O-CB 3.35Å; D244-E247 WeakPolarHBondContact O-CG 3.33Å; D244-E247 PolarHBondContact O-N 2.79Å; D244-K248 HydrophobicContact CB-CB 4.27Å; D244-K248 HydrophobicContact CB-CD 3.99Å; D244-K248 HydrophobicContact CB-CG 4.17Å; D244-K248 WeakPolarHBondContact OD2-CD 3.45Å; D244-K248 VanDerWaalsContact OD2-CE 3.31Å; D244-K248 WeakPolarHBondContact OD2-CE 3.14Å; D244-K248 IonicContact OD2-NZ 2.71Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å |
| 245 | Y | 92.2 | Very high | 93.2 | Very high | 45 Ų | 45 | 38.7 Ų | 38.7 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | 58.6 | 20.8 | -176.1 | -50.5 | -78.8 | 0 | 0 | 0 | 114.9 | W111 W114 A222 | W111-Y245 HydrophobicContact CE3-CD1 4.38Å; W111-Y245 HydrophobicContact CH2-CD1 4.02Å; W111-Y245 HydrophobicContact CZ2-CD1 4.39Å; W111-Y245 HydrophobicContact CZ3-CD1 4.02Å; W114-Y245 HydrophobicContact CB-CD1 4.22Å; W114-Y245 HydrophobicContact CB-CE1 3.59Å; W114-Y245 AromaticContact CD1-CD1 3.48Å; W114-Y245 VanDerWaalsContact CD1-CD1 3.48Å; W114-Y245 AromaticContact CD1-CE1 3.21Å; W114-Y245 AromaticContact CD1-CE2 3.9Å; W114-Y245 AromaticContact CD1-CG 3.94Å; W114-Y245 AromaticContact CD1-CZ 3.41Å; W114-Y245 VanDerWaalsContact CD1-CZ 3.41Å; W114-Y245 AromaticContact CD2-CD1 3.63Å; W114-Y245 HydrophobicContact CD2-CD1 3.63Å; W114-Y245 AromaticContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CE1 3.93Å; W114-Y245 HydrophobicContact CD2-CG 4.34Å; W114-Y245 AromaticContact CE2-CD1 3.66Å; W114-Y245 AromaticContact CE2-CG 3.88Å; W114-Y245 HydrophobicContact CE3-CD1 4.4Å; W114-Y245 AromaticContact CG-CD1 3.52Å; W114-Y245 HydrophobicContact CG-CD1 3.52Å; W114-Y245 AromaticContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CE1 3.27Å; W114-Y245 HydrophobicContact CG-CG 4.36Å; W114-Y245 AromaticContact CG-CZ 3.93Å; W114-Y245 HydrophobicContact CZ2-CD1 4.43Å; W114-Y245 HydrophobicContact CZ2-CG 4.4Å; W114-Y245 AromaticContact NE1-CD1 3.53Å; W114-Y245 AromaticContact NE1-CD2 3.91Å; W114-Y245 AromaticContact NE1-CE1 3.77Å; W114-Y245 AromaticContact NE1-CG 3.6Å; A222-Y245 HydrophobicContact CB-CD1 3.74Å; A222-Y245 HydrophobicContact CB-CD2 4.13Å; A222-Y245 HydrophobicContact CB-CE1 3.58Å; A222-Y245 HydrophobicContact CB-CE2 4.03Å; A222-Y245 HydrophobicContact CB-CG 4.02Å; A222-Y245 PolarHBondContact O-N 3.44Å |
| 246 | G | 88.4 | Confident | 93.3 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 32% | 0.32 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | 104.5 | -1.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y243 D244 | Y243-G246 PolarHBondContact O-N 3.14Å; Y243-G246 VanDerWaalsContact O-N 3.1Å; D244-G246 PolarHBondContact O-N 2.97Å; D244-G246 VanDerWaalsContact O-N 3.09Å |
| 247 | E | 87 | Confident | 93.1 | Very high | 110 Ų | 110 | 38.1 Ų | 38.1 | 51% | 0.514 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -25.5 | -177.2 | -63.8 | -172.9 | 171.1 | 0 | 0 | 113.4 | Y243 D244 | Y243-E247 PolarHBondContact O-N 3.48Å; D244-E247 WeakPolarHBondContact O-CB 3.35Å; D244-E247 WeakPolarHBondContact O-CG 3.33Å; D244-E247 PolarHBondContact O-N 2.79Å |
| 248 | K | 89.4 | Confident | 92.9 | Very high | 56 Ų | 56 | 38.8 Ų | 38.8 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.8 | -173.1 | -66.6 | 176.7 | 179 | 148.6 | 0 | 112.4 | T242 Y243 D244 | T242-K248 CarbonylContact C-O 3.56Å; T242-K248 WeakPolarHBondContact CA-O 3.32Å; Y243-K248 HydrophobicContact CD1-CB 3.86Å; Y243-K248 HydrophobicContact CD2-CB 4.11Å; Y243-K248 HydrophobicContact CD2-CD 4.41Å; Y243-K248 HydrophobicContact CE1-CB 3.45Å; Y243-K248 VanDerWaalsContact CE1-CB 3.45Å; Y243-K248 HydrophobicContact CE2-CB 3.73Å; Y243-K248 HydrophobicContact CE2-CD 3.58Å; Y243-K248 HydrophobicContact CE2-CG 4.31Å; Y243-K248 HydrophobicContact CG-CB 4.17Å; Y243-K248 PolarHBondContact N-O 2.77Å; Y243-K248 PolarHBondContact O-N 2.91Å; Y243-K248 VanDerWaalsContact O-N 3.11Å; D244-K248 HydrophobicContact CB-CB 4.27Å; D244-K248 HydrophobicContact CB-CD 3.99Å; D244-K248 HydrophobicContact CB-CG 4.17Å; D244-K248 WeakPolarHBondContact OD2-CD 3.45Å; D244-K248 VanDerWaalsContact OD2-CE 3.31Å; D244-K248 WeakPolarHBondContact OD2-CE 3.14Å; D244-K248 IonicContact OD2-NZ 2.71Å; D244-K248 PolarHBondContact OD2-NZ 2.98Å |
| 249 | F | 90.3 | Very high | 92.8 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 43% | 0.425 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.5 | 178.5 | -178.2 | -101.4 | 0 | 0 | 0 | 110.3 | E240 I241 E251 | E240-F249 HydrophobicContact CB-CE2 4Å; E240-F249 HydrophobicContact CB-CZ 3.91Å; E240-F249 HydrophobicContact CG-CZ 4.16Å; I241-F249 CarbonylContact O-C 3.59Å; I241-F249 WeakPolarHBondContact O-CA 3.43Å; F249-E251 HydrophobicContact CE1-CB 4.01Å; F249-E251 HydrophobicContact CZ-CB 4.45Å |
| 250 | F | 92.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.6 | 176.7 | 173.1 | -107.5 | 0 | 0 | 0 | 110.5 | C203 Y205 I218 I241 Y243 L252 | C203-F250 HydrophobicContact CB-CB 3.71Å; C203-F250 HydrophobicContact CB-CD1 3.58Å; C203-F250 HydrophobicContact CB-CD2 3.27Å; C203-F250 HydrophobicContact CB-CE1 3.94Å; C203-F250 HydrophobicContact CB-CE2 3.67Å; C203-F250 HydrophobicContact CB-CG 3.21Å; C203-F250 HydrophobicContact CB-CZ 3.98Å; C203-F250 WeakPolarHBondContact O-CE2 3.25Å; C203-F250 WeakPolarHBondContact O-CZ 3.37Å; Y205-F250 AromaticContact CD1-CZ 3.94Å; Y205-F250 HydrophobicContact CD1-CZ 3.94Å; I218-F250 HydrophobicContact CD1-CE1 4.24Å; I218-F250 HydrophobicContact CG1-CE1 4.42Å; I218-F250 HydrophobicContact CG2-CD1 3.82Å; I218-F250 HydrophobicContact CG2-CE1 3.82Å; I241-F250 HydrophobicContact CB-CB 4.49Å; I241-F250 PolarHBondContact N-O 3.16Å; I241-F250 PolarHBondContact O-N 2.95Å; Y243-F250 HydrophobicContact CD1-CB 4.45Å; Y243-F250 HydrophobicContact CE1-CB 3.92Å; F250-L252 HydrophobicContact CE1-CB 3.79Å; F250-L252 HydrophobicContact CZ-CB 4.06Å |
| 251 | E | 93.8 | Very high | 92.7 | Very high | 96 Ų | 96 | 40.9 Ų | 40.9 | 45% | 0.449 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.9 | 175.3 | -173.1 | 174.1 | 172.6 | 0 | 0 | 110.1 | K238 A239 E240 F249 | K238-E251 VanDerWaalsContact CE-OE1 3.26Å; K238-E251 WeakPolarHBondContact CE-OE1 3.23Å; K238-E251 IonicContact NZ-OE1 2.96Å; A239-E251 CarbonylContact O-C 3.55Å; A239-E251 WeakPolarHBondContact O-CA 3.15Å; E240-E251 HydrophobicContact CG-CG 4.39Å; F249-E251 HydrophobicContact CE1-CB 4.01Å; F249-E251 HydrophobicContact CZ-CB 4.45Å |
| 252 | L | 93.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 113.7 | 169.4 | 177.2 | 67.4 | 0 | 0 | 0 | 108 | Y205 V216 I218 L237 K238 A239 F250 I254 | Y205-L252 HydrophobicContact CD1-CD1 4.13Å; Y205-L252 HydrophobicContact CD2-CD1 4.46Å; Y205-L252 HydrophobicContact CD2-CD2 4.25Å; Y205-L252 HydrophobicContact CE1-CD1 3.64Å; Y205-L252 HydrophobicContact CE2-CD1 4.02Å; Y205-L252 HydrophobicContact CE2-CD2 4.45Å; Y205-L252 HydrophobicContact CG-CD2 4.36Å; V216-L252 HydrophobicContact CG1-CD2 4.28Å; I218-L252 HydrophobicContact CD1-CD2 4.26Å; L237-L252 HydrophobicContact CD2-CD2 4.24Å; K238-L252 CarbonylContact C-O 3.53Å; K238-L252 VanDerWaalsContact CA-O 3.28Å; K238-L252 WeakPolarHBondContact CA-O 3.37Å; A239-L252 HydrophobicContact CB-CB 4.33Å; A239-L252 PolarHBondContact N-O 2.9Å; A239-L252 PolarHBondContact O-N 3.4Å; F250-L252 HydrophobicContact CE1-CB 3.79Å; F250-L252 HydrophobicContact CZ-CB 4.06Å; L252-I254 HydrophobicContact CD1-CD1 4.3Å; L252-I254 HydrophobicContact CD1-CG1 4.39Å; L252-I254 HydrophobicContact CD1-CG2 3.67Å; L252-I254 HydrophobicContact CD2-CD1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.39Å; L252-I254 HydrophobicContact CG-CG1 4.3Å; L252-I254 HydrophobicContact CG-CG2 4.35Å |
| 253 | D | 93.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 102.1 | 178.5 | -166.9 | -12.9 | 0 | 0 | 0 | 108.6 | H236 K238 | H236-D253 IonicContact CD2-OD1 3.64Å; H236-D253 PolarHBondContact CD2-OD1 3.38Å; H236-D253 IonicContact CE1-OD1 3.37Å; H236-D253 IonicContact NE2-OD1 3.75Å; H236-D253 PolarHBondContact NE2-OD1 3.12Å; K238-D253 HydrophobicContact CG-CB 4.4Å |
| 254 | I | 93.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 136 | -171 | 58.5 | 171.7 | 0 | 0 | 0 | 113.8 | L237 L252 L256 L289 V290 | L237-I254 HydrophobicContact CB-CG1 4.14Å; L237-I254 HydrophobicContact CD2-CD1 4.32Å; L237-I254 HydrophobicContact CD2-CG1 4.43Å; L237-I254 PolarHBondContact N-O 3.24Å; L237-I254 PolarHBondContact O-N 3.11Å; L252-I254 HydrophobicContact CD1-CD1 4.3Å; L252-I254 HydrophobicContact CD1-CG1 4.39Å; L252-I254 HydrophobicContact CD1-CG2 3.67Å; L252-I254 HydrophobicContact CD2-CD1 4.31Å; L252-I254 HydrophobicContact CG-CD1 4.39Å; L252-I254 HydrophobicContact CG-CG1 4.3Å; L252-I254 HydrophobicContact CG-CG2 4.35Å; I254-L256 HydrophobicContact CD1-CD2 4.5Å; I254-L256 PolarHBondContact O-N 3.41Å; I254-L289 HydrophobicContact CD1-CD2 3.5Å; I254-L289 HydrophobicContact CD1-CG 3.78Å; I254-V290 HydrophobicContact CB-CG2 4.19Å; I254-V290 HydrophobicContact CD1-CG2 4.12Å; I254-V290 HydrophobicContact CG2-CG2 4.15Å |
| 255 | P | 94 | Very high | 93 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 119.1 | 167.8 | 30.3 | -33.1 | 0 | 0 | 0 | 109.9 | R89 H236 V290 Y291 | R89-P255 VanDerWaalsContact NH2-CB 3.33Å; H236-P255 WeakPolarHBondContact ND1-CA 3.26Å; P255-V290 HydrophobicContact CG-CG1 4.03Å; P255-V290 CarbonylContact O-C 3.56Å; P255-V290 VanDerWaalsContact O-CA 3.31Å; P255-V290 WeakPolarHBondContact O-CA 3.41Å; P255-Y291 PolarHBondContact O-N 3.17Å |
| 256 | L | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -72.6 | 141.1 | -178.5 | -63.3 | 172.1 | 0 | 0 | 0 | 112 | R89 V235 L237 I254 G258 V260 L278 W286 L289 | R89-L256 PolarHBondContact NH2-O 3.47Å; V235-L256 WeakPolarHBondContact O-CB 3.42Å; V235-L256 PolarHBondContact O-N 2.74Å; L237-L256 HydrophobicContact CB-CD1 4.23Å; L237-L256 HydrophobicContact CB-CD2 3.89Å; L237-L256 HydrophobicContact CB-CG 4.12Å; I254-L256 HydrophobicContact CD1-CD2 4.5Å; I254-L256 PolarHBondContact O-N 3.41Å; L256-G258 VanDerWaalsContact C-N 3.32Å; L256-G258 PolarHBondContact O-N 3.04Å; L256-V260 HydrophobicContact CD1-CG1 3.9Å; L256-V260 HydrophobicContact CD1-CG2 3.92Å; L256-L278 HydrophobicContact CD1-CD1 3.96Å; L256-L278 HydrophobicContact CD2-CD1 3.88Å; L256-W286 HydrophobicContact CB-CH2 3.95Å; L256-W286 HydrophobicContact CB-CZ3 4.03Å; L256-W286 HydrophobicContact CD2-CH2 4.48Å; L256-W286 HydrophobicContact CD2-CZ3 4.18Å; L256-L289 WeakPolarHBondContact CA-O 2.89Å; L256-L289 HydrophobicContact CD2-CD1 4.11Å |
| 257 | W | 92.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 47 Ų | 47 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -63.6 | -34.2 | -178.6 | -173.5 | 89.7 | 0 | 0 | 0 | 113.6 | A86 W286 A287 S288 L289 | A86-W257 HydrophobicContact CB-CZ2 4.48Å; W257-W286 HydrophobicContact CB-CD2 4.35Å; W257-W286 HydrophobicContact CB-CE3 3.91Å; W257-W286 HydrophobicContact CB-CZ3 4.38Å; W257-W286 HydrophobicContact CD2-CB 4.3Å; W257-W286 HydrophobicContact CD2-CG 4.44Å; W257-W286 HydrophobicContact CE3-CB 3.73Å; W257-W286 AromaticContact CE3-CD1 3.68Å; W257-W286 HydrophobicContact CE3-CD2 4.04Å; W257-W286 AromaticContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CZ3-CB 4.25Å; W257-W286 AromaticContact CZ3-CD1 3.84Å; W257-W286 HydrophobicContact CZ3-CG 4.11Å; W257-A287 HydrophobicContact CZ2-CB 4.11Å; W257-S288 WeakPolarHBondContact CB-O 3.09Å; W257-L289 PolarHBondContact N-O 3.05Å |
| 258 | G | 91.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -130.9 | 173 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L256 W286 | L256-G258 VanDerWaalsContact C-N 3.32Å; L256-G258 PolarHBondContact O-N 3.04Å; G258-W286 VanDerWaalsContact CA-CZ2 3.41Å; G258-W286 WeakPolarHBondContact O-CH2 3.35Å; G258-W286 VanDerWaalsContact O-CZ2 3.28Å; G258-W286 WeakPolarHBondContact O-CZ2 3.19Å |
| 259 | E | 93.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 40.6 Ų | 40.6 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | trans | -77.5 | 142 | 179.5 | -71.9 | 171.7 | -145.5 | 0 | 0 | 112.5 | P90 S234 V235 A281 | P90-E259 WeakPolarHBondContact CD-OE1 3.48Å; P90-E259 HydrophobicContact CG-CG 4.45Å; P90-E259 WeakPolarHBondContact CG-OE1 3.15Å; S234-E259 CarbonylContact O-C 3.5Å; S234-E259 WeakPolarHBondContact O-CA 3.44Å; V235-E259 HydrophobicContact CG1-CG 3.66Å; E259-A281 HydrophobicContact CB-CB 3.79Å; E259-A281 WeakPolarHBondContact O-CB 3.35Å; E259-A281 PolarHBondContact O-N 3.33Å | ||
| 260 | V | 94.9 | Very high | 95 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 146.7 | 178.4 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | V232 N233 S234 L256 V262 L278 K279 W286 | V232-V260 HydrophobicContact CG1-CG2 3.61Å; N233-V260 VanDerWaalsContact O-CG2 3.26Å; N233-V260 WeakPolarHBondContact O-CG2 3.28Å; S234-V260 PolarHBondContact O-N 2.83Å; L256-V260 HydrophobicContact CD1-CG1 3.9Å; L256-V260 HydrophobicContact CD1-CG2 3.92Å; V260-V262 PolarHBondContact O-N 3.37Å; V260-L278 HydrophobicContact CG1-CB 3.99Å; V260-L278 HydrophobicContact CG1-CD1 4.47Å; V260-K279 CarbonylContact C-O 3.5Å; V260-K279 WeakPolarHBondContact CA-O 3.08Å; V260-K279 WeakPolarHBondContact CB-O 3.43Å; V260-W286 HydrophobicContact CG1-CH2 3.74Å; V260-W286 HydrophobicContact CG1-CZ2 3.97Å |
| 261 | N | 94.9 | Very high | 95.1 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 107.2 | 167.1 | -179 | -27 | 0 | 0 | 0 | 108.3 | E263 A264 S265 K279 | N261-E263 PolarHBondContact O-N 2.83Å; N261-E263 PolarHBondContact OD1-N 2.64Å; N261-E263 VanDerWaalsContact OD1-N 3.12Å; N261-A264 HydrophobicContact CB-CB 4.16Å; N261-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact OD1-N 3.5Å; N261-A264 VanDerWaalsContact OD1-N 3.16Å; N261-S265 PolarHBondContact O-N 2.85Å; N261-S265 PolarHBondContact O-OG 2.73Å; N261-K279 HydrophobicContact CB-CB 4.27Å; N261-K279 HydrophobicContact CB-CG 4.44Å; N261-K279 PolarHBondContact N-O 2.77Å |
| 262 | V | 94.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -42.4 | -175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | K97 V232 N233 V260 A264 S265 | K97-V262 HydrophobicContact CB-CG1 3.96Å; K97-V262 HydrophobicContact CD-CG1 4.14Å; V232-V262 HydrophobicContact CG1-CG2 4.49Å; N233-V262 VanDerWaalsContact C-CG2 3.48Å; V260-V262 PolarHBondContact O-N 3.37Å; V262-A264 VanDerWaalsContact C-N 3.3Å; V262-A264 PolarHBondContact O-N 2.76Å; V262-S265 PolarHBondContact O-N 3.08Å |
| 263 | E | 94.7 | Very high | 95.3 | Very high | 173 Ų | 173 | 39 Ų | 39 | 81% | 0.808 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70 | -28.8 | -176.7 | -62 | -179.8 | 175.6 | 0 | 0 | 112.6 | N261 S265 | N261-E263 PolarHBondContact O-N 2.83Å; N261-E263 PolarHBondContact OD1-N 2.64Å; N261-E263 VanDerWaalsContact OD1-N 3.12Å; E263-S265 VanDerWaalsContact C-N 3.34Å |
| 264 | A | 96 | Very high | 95.5 | Very high | 54 Ų | 54 | 35.4 Ų | 35.4 | 45% | 0.446 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 3.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N261 V262 K279 | N261-A264 HydrophobicContact CB-CB 4.16Å; N261-A264 PolarHBondContact O-N 2.91Å; N261-A264 PolarHBondContact OD1-N 3.5Å; N261-A264 VanDerWaalsContact OD1-N 3.16Å; V262-A264 VanDerWaalsContact C-N 3.3Å; V262-A264 PolarHBondContact O-N 2.76Å; A264-K279 HydrophobicContact CB-CB 3.7Å; A264-K279 HydrophobicContact CB-CG 3.89Å |
| 265 | S | 97.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 146.9 | 179 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | P100 N261 V262 E263 Q277 L278 K279 | P100-S265 WeakPolarHBondContact CD-O 3.31Å; N261-S265 PolarHBondContact O-N 2.85Å; N261-S265 PolarHBondContact O-OG 2.73Å; V262-S265 PolarHBondContact O-N 3.08Å; E263-S265 VanDerWaalsContact C-N 3.34Å; S265-Q277 CarbonylContact C-O 3.52Å; S265-Q277 WeakPolarHBondContact CA-O 3.46Å; S265-Q277 WeakPolarHBondContact CB-O 3.26Å; S265-L278 WeakPolarHBondContact OG-CA 3.32Å; S265-K279 PolarHBondContact OG-N 3.4Å; S265-K279 VanDerWaalsContact OG-N 3.14Å |
| 266 | S | 97.8 | Very high | 95.9 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 169.3 | -177.4 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | Q277 | S266-Q277 PolarHBondContact N-O 3.07Å; S266-Q277 PolarHBondContact O-N 3.09Å |
| 267 | A | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V99 P100 M101 N102 I230 L269 I274 E275 I276 | V99-A267 HydrophobicContact CG2-CB 4.22Å; P100-A267 PolarHBondContact O-N 3.12Å; M101-A267 HydrophobicContact CG-CB 4.21Å; N102-A267 PolarHBondContact N-O 3.15Å; I230-A267 HydrophobicContact CD1-CB 3.59Å; A267-L269 HydrophobicContact CB-CD1 4.47Å; A267-I274 HydrophobicContact CB-CG2 4.49Å; A267-E275 CarbonylContact C-O 3.51Å; A267-E275 VanDerWaalsContact CA-O 3.25Å; A267-E275 WeakPolarHBondContact CA-O 3.45Å; A267-I276 HydrophobicContact CB-CG1 4.37Å |
| 268 | V | 97.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.2 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | N102 A104 I274 E275 | N102-V268 HydrophobicContact CB-CG2 4.46Å; N102-V268 CarbonylContact O-C 3.48Å; N102-V268 WeakPolarHBondContact O-CA 3.26Å; A104-V268 HydrophobicContact CB-CG1 4.2Å; V268-I274 WeakPolarHBondContact O-CA 3.48Å; V268-E275 PolarHBondContact N-O 2.76Å; V268-E275 PolarHBondContact O-N 2.8Å |
| 269 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.5 | -179.6 | -72.8 | 71.4 | 0 | 0 | 0 | 109.4 | M101 N102 A104 L107 T223 V225 A267 I274 | M101-L269 HydrophobicContact CB-CD1 3.81Å; M101-L269 HydrophobicContact CE-CD1 3.66Å; M101-L269 HydrophobicContact CE-CD2 3.54Å; M101-L269 HydrophobicContact CE-CG 4.16Å; M101-L269 HydrophobicContact CG-CD1 4.05Å; N102-L269 PolarHBondContact O-N 2.86Å; A104-L269 WeakPolarHBondContact CB-O 3.34Å; A104-L269 PolarHBondContact N-O 3.19Å; L107-L269 HydrophobicContact CD2-CB 3.65Å; L107-L269 HydrophobicContact CD2-CD2 4.36Å; T223-L269 HydrophobicContact CG2-CD2 3.7Å; V225-L269 HydrophobicContact CG2-CD2 4.03Å; A267-L269 HydrophobicContact CB-CD1 4.47Å; L269-I274 HydrophobicContact CD1-CG2 4.22Å; L269-I274 HydrophobicContact CG-CG1 4.2Å; L269-I274 HydrophobicContact CG-CG2 4.18Å |
| 270 | N | 97.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | trans | -107.4 | 172.3 | 177.8 | -64.3 | -84.9 | 0 | 0 | 0 | 110.8 | A104 S106 S272 K273 | A104-N270 WeakPolarHBondContact CB-OD1 3.49Å; S106-N270 WeakPolarHBondContact OG-CA 3.45Å; N270-S272 PolarHBondContact O-N 3.41Å; N270-K273 WeakPolarHBondContact CA-O 3.03Å; N270-K273 HydrophobicContact CB-CG 4.36Å; N270-K273 VanDerWaalsContact CB-O 3.3Å; N270-K273 WeakPolarHBondContact CB-O 3.31Å; N270-K273 PolarHBondContact N-O 2.87Å | ||
| 271 | A | 94.7 | Very high | 96.6 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -54.6 | -36 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S106 L110 R221 A222 | S106-A271 PolarHBondContact OG-N 2.92Å; S106-A271 VanDerWaalsContact OG-N 3.12Å; L110-A271 HydrophobicContact CB-CB 4.41Å; L110-A271 HydrophobicContact CD2-CB 4.17Å; R221-A271 WeakPolarHBondContact CA-O 3.14Å; A222-A271 PolarHBondContact N-O 2.88Å |
| 272 | S | 94.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 39.9 Ų | 39.9 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -120.7 | -6 | -170.7 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | A220 N270 | A220-S272 CarbonylContact O-C 3.58Å; N270-S272 PolarHBondContact O-N 3.41Å |
| 273 | K | 95.8 | Very high | 96.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 22% | 0.217 | 25% | 0.252 | C | S | . | . | trans | -162.7 | 161.7 | -176.9 | 62.8 | 175.4 | -177.3 | 163 | 0 | 112.4 | I218 Y219 A220 N270 E275 | I218-K273 CarbonylContact O-C 3.44Å; I218-K273 WeakPolarHBondContact O-CA 3.44Å; I218-K273 WeakPolarHBondContact O-CB 3.44Å; Y219-K273 HydrophobicContact CD1-CB 4.29Å; Y219-K273 HydrophobicContact CE1-CD 4.43Å; A220-K273 PolarHBondContact O-N 2.76Å; N270-K273 WeakPolarHBondContact CA-O 3.03Å; N270-K273 HydrophobicContact CB-CG 4.36Å; N270-K273 VanDerWaalsContact CB-O 3.3Å; N270-K273 WeakPolarHBondContact CB-O 3.31Å; N270-K273 PolarHBondContact N-O 2.87Å; K273-E275 HydrophobicContact CD-CG 4.31Å; K273-E275 WeakPolarHBondContact CE-OE1 3.28Å; K273-E275 IonicContact NZ-OE1 2.6Å; K273-E275 PolarHBondContact NZ-OE1 3.02Å | ||
| 274 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.4 | 171.2 | -52.1 | 176.1 | 0 | 0 | 0 | 107.4 | N217 I218 A220 T223 I230 I241 A267 V268 L269 I276 | N217-I274 CarbonylContact C-O 3.56Å; N217-I274 VanDerWaalsContact CA-O 3.29Å; N217-I274 WeakPolarHBondContact CA-O 3.21Å; I218-I274 HydrophobicContact CB-CB 4.34Å; I218-I274 PolarHBondContact N-O 3.06Å; I218-I274 PolarHBondContact O-N 2.93Å; A220-I274 HydrophobicContact CB-CD1 4.46Å; T223-I274 HydrophobicContact CG2-CD1 3.83Å; I230-I274 HydrophobicContact CD1-CG2 3.74Å; I241-I274 HydrophobicContact CB-CD1 4.32Å; I241-I274 HydrophobicContact CD1-CD1 3.46Å; I241-I274 VanDerWaalsContact CD1-CD1 3.46Å; I241-I274 HydrophobicContact CG1-CD1 3.83Å; I241-I274 HydrophobicContact CG2-CD1 3.51Å; A267-I274 HydrophobicContact CB-CG2 4.49Å; V268-I274 WeakPolarHBondContact O-CA 3.48Å; L269-I274 HydrophobicContact CD1-CG2 4.22Å; L269-I274 HydrophobicContact CG-CG1 4.2Å; L269-I274 HydrophobicContact CG-CG2 4.18Å; I274-I276 HydrophobicContact CG2-CG1 4.31Å |
| 275 | E | 98.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 38 Ų | 38 | 22% | 0.22 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.6 | 176.7 | -56.2 | -171.9 | 165.4 | 0 | 0 | 109.3 | A267 V268 K273 | A267-E275 CarbonylContact C-O 3.51Å; A267-E275 VanDerWaalsContact CA-O 3.25Å; A267-E275 WeakPolarHBondContact CA-O 3.45Å; V268-E275 PolarHBondContact N-O 2.76Å; V268-E275 PolarHBondContact O-N 2.8Å; K273-E275 HydrophobicContact CD-CG 4.31Å; K273-E275 WeakPolarHBondContact CE-OE1 3.28Å; K273-E275 IonicContact NZ-OE1 2.6Å; K273-E275 PolarHBondContact NZ-OE1 3.02Å |
| 276 | I | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.5 | 176.8 | -51.7 | 174.2 | 0 | 0 | 0 | 107.8 | T215 V216 I218 I230 L237 A239 A267 I274 L278 | T215-I276 CarbonylContact C-O 3.58Å; T215-I276 VanDerWaalsContact CA-O 3.25Å; T215-I276 WeakPolarHBondContact CA-O 3.46Å; V216-I276 HydrophobicContact CB-CB 4.23Å; V216-I276 PolarHBondContact N-O 3.07Å; V216-I276 PolarHBondContact O-N 2.75Å; I218-I276 HydrophobicContact CD1-CD1 3.82Å; I230-I276 HydrophobicContact CD1-CD1 4.23Å; I230-I276 HydrophobicContact CD1-CG1 4.12Å; I230-I276 HydrophobicContact CG2-CD1 3.83Å; I230-I276 HydrophobicContact CG2-CG1 4.25Å; I230-I276 HydrophobicContact CG2-CG2 4.27Å; L237-I276 HydrophobicContact CD1-CD1 4.21Å; L237-I276 HydrophobicContact CD1-CG2 4.39Å; L237-I276 HydrophobicContact CD2-CD1 4.34Å; A239-I276 HydrophobicContact CB-CD1 4.32Å; A267-I276 HydrophobicContact CB-CG1 4.37Å; I274-I276 HydrophobicContact CG2-CG1 4.31Å; I276-L278 HydrophobicContact CG2-CD2 3.87Å; I276-L278 HydrophobicContact CG2-CG 4.17Å |
| 277 | Q | 97.9 | Very high | 95 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 109 | 178.2 | -62.7 | -179.7 | 7.4 | 0 | 0 | 109.2 | T215 S265 S266 | T215-Q277 HydrophobicContact CG2-CG 4.47Å; S265-Q277 CarbonylContact C-O 3.52Å; S265-Q277 WeakPolarHBondContact CA-O 3.46Å; S265-Q277 WeakPolarHBondContact CB-O 3.26Å; S266-Q277 PolarHBondContact N-O 3.07Å; S266-Q277 PolarHBondContact O-N 3.09Å |
| 278 | L | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.7 | 178.6 | -59 | 177.6 | 0 | 0 | 0 | 110 | E213 V214 V216 V232 L237 L256 V260 S265 I276 K280 | E213-L278 CarbonylContact C-O 3.45Å; E213-L278 VanDerWaalsContact CA-O 3.26Å; E213-L278 WeakPolarHBondContact CA-O 3.3Å; E213-L278 WeakPolarHBondContact CB-O 3.48Å; V214-L278 HydrophobicContact CB-CB 4.33Å; V214-L278 PolarHBondContact N-O 3.25Å; V214-L278 PolarHBondContact O-N 3.43Å; V216-L278 HydrophobicContact CG2-CD1 4.4Å; V232-L278 HydrophobicContact CG1-CD2 4.22Å; V232-L278 HydrophobicContact CG2-CD2 3.87Å; L237-L278 HydrophobicContact CD2-CD1 4.41Å; L256-L278 HydrophobicContact CD1-CD1 3.96Å; L256-L278 HydrophobicContact CD2-CD1 3.88Å; V260-L278 HydrophobicContact CG1-CB 3.99Å; V260-L278 HydrophobicContact CG1-CD1 4.47Å; S265-L278 WeakPolarHBondContact OG-CA 3.32Å; I276-L278 HydrophobicContact CG2-CD2 3.87Å; I276-L278 HydrophobicContact CG2-CG 4.17Å; L278-K280 PolarHBondContact O-N 2.85Å |
| 279 | K | 97.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 124.9 | 175.9 | -168.4 | 71.3 | 179 | -174.6 | 0 | 109.8 | V260 N261 A264 S265 A281 | V260-K279 CarbonylContact C-O 3.5Å; V260-K279 WeakPolarHBondContact CA-O 3.08Å; V260-K279 WeakPolarHBondContact CB-O 3.43Å; N261-K279 HydrophobicContact CB-CB 4.27Å; N261-K279 HydrophobicContact CB-CG 4.44Å; N261-K279 PolarHBondContact N-O 2.77Å; A264-K279 HydrophobicContact CB-CB 3.7Å; A264-K279 HydrophobicContact CB-CG 3.89Å; S265-K279 PolarHBondContact OG-N 3.4Å; S265-K279 VanDerWaalsContact OG-N 3.14Å; K279-A281 PolarHBondContact O-N 3.05Å |
| 280 | K | 96 | Very high | 94.3 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132.1 | 175.9 | -65 | 173.8 | 179.2 | 171.2 | 0 | 109.7 | T210 K212 E213 V214 L278 N282 G284 W286 | T210-K280 PolarHBondContact O-NZ 3.16Å; K212-K280 WeakPolarHBondContact O-CB 3.34Å; K212-K280 PolarHBondContact O-N 3.01Å; E213-K280 WeakPolarHBondContact O-CE 3.38Å; V214-K280 HydrophobicContact CG2-CD 4.37Å; V214-K280 HydrophobicContact CG2-CG 4.17Å; L278-K280 PolarHBondContact O-N 2.85Å; K280-N282 VanDerWaalsContact C-N 3.32Å; K280-G284 PolarHBondContact NZ-O 3.36Å; K280-W286 HydrophobicContact CG-CZ2 4.31Å |
| 281 | A | 93.5 | Very high | 93.8 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -66 | -40.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E259 K279 | E259-A281 HydrophobicContact CB-CB 3.79Å; E259-A281 WeakPolarHBondContact O-CB 3.35Å; E259-A281 PolarHBondContact O-N 3.33Å; K279-A281 PolarHBondContact O-N 3.05Å |
| 282 | N | 90.4 | Very high | 93.1 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -116.5 | 120.3 | 176.9 | -64.6 | -59.2 | 0 | 0 | 0 | 110.3 | K280 | K280-N282 VanDerWaalsContact C-N 3.32Š|
| 283 | P | 89.1 | Confident | 93.1 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | trans | -58 | 139.5 | 175.5 | -24.1 | 33.8 | 0 | 0 | 0 | 112 | G211 | G211-P283 WeakPolarHBondContact O-CA 3.25Š| ||
| 284 | G | 88.2 | Confident | 92.9 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 156.8 | 167.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G211 K280 | G211-G284 PolarHBondContact O-N 3.06Å; G211-G284 VanDerWaalsContact O-N 3.15Å; K280-G284 PolarHBondContact NZ-O 3.36Å |
| 285 | A | 90.8 | Very high | 92.7 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | trans | -88.1 | 124.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 286 | W | 92.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | trans | -79.7 | 133.1 | 171.6 | -70.2 | 16.9 | 0 | 0 | 0 | 109.5 | W207 Q209 V214 L256 W257 G258 V260 K280 S288 L289 | W207-W286 HydrophobicContact CZ3-CB 4.48Å; Q209-W286 PolarHBondContact NE2-O 3.45Å; V214-W286 HydrophobicContact CG2-CD2 3.76Å; V214-W286 HydrophobicContact CG2-CE3 3.79Å; V214-W286 HydrophobicContact CG2-CG 4.34Å; V214-W286 HydrophobicContact CG2-CH2 4.21Å; V214-W286 HydrophobicContact CG2-CZ2 4.19Å; V214-W286 HydrophobicContact CG2-CZ3 4.02Å; L256-W286 HydrophobicContact CB-CH2 3.95Å; L256-W286 HydrophobicContact CB-CZ3 4.03Å; L256-W286 HydrophobicContact CD2-CH2 4.48Å; L256-W286 HydrophobicContact CD2-CZ3 4.18Å; W257-W286 HydrophobicContact CB-CD2 4.35Å; W257-W286 HydrophobicContact CB-CE3 3.91Å; W257-W286 HydrophobicContact CB-CZ3 4.38Å; W257-W286 HydrophobicContact CD2-CB 4.3Å; W257-W286 HydrophobicContact CD2-CG 4.44Å; W257-W286 HydrophobicContact CE3-CB 3.73Å; W257-W286 AromaticContact CE3-CD1 3.68Å; W257-W286 HydrophobicContact CE3-CD2 4.04Å; W257-W286 AromaticContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CE3-CG 3.55Å; W257-W286 HydrophobicContact CZ3-CB 4.25Å; W257-W286 AromaticContact CZ3-CD1 3.84Å; W257-W286 HydrophobicContact CZ3-CG 4.11Å; G258-W286 VanDerWaalsContact CA-CZ2 3.41Å; G258-W286 WeakPolarHBondContact O-CH2 3.35Å; G258-W286 VanDerWaalsContact O-CZ2 3.28Å; G258-W286 WeakPolarHBondContact O-CZ2 3.19Å; V260-W286 HydrophobicContact CG1-CH2 3.74Å; V260-W286 HydrophobicContact CG1-CZ2 3.97Å; K280-W286 HydrophobicContact CG-CZ2 4.31Å; W286-S288 VanDerWaalsContact C-N 3.33Å; W286-L289 HydrophobicContact CZ3-CD1 4.36Å | ||
| 287 | A | 90.2 | Very high | 92 | Very high | 60 Ų | 60 | 59.7 Ų | 59.7 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -74.9 | -27.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R84 W257 | R84-A287 HydrophobicContact CB-CB 4.33Å; W257-A287 HydrophobicContact CZ2-CB 4.11Å |
| 288 | S | 92.7 | Very high | 91.6 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | trans | -146.7 | 160.6 | -180 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | W257 W286 V290 | W257-S288 WeakPolarHBondContact CB-O 3.09Å; W286-S288 VanDerWaalsContact C-N 3.33Å; S288-V290 WeakPolarHBondContact CB-O 3.39Å; S288-V290 PolarHBondContact OG-N 3.11Å; S288-V290 VanDerWaalsContact OG-N 3.08Å; S288-V290 PolarHBondContact OG-O 3.29Å | ||
| 289 | L | 94 | Very high | 91.1 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -72.4 | -39.9 | 165.8 | -178.6 | 65.2 | 0 | 0 | 0 | 110.8 | Y205 W207 V214 V216 I254 L256 W257 W286 | Y205-L289 HydrophobicContact CE2-CD2 4.2Å; W207-L289 HydrophobicContact CB-CD1 4.32Å; W207-L289 HydrophobicContact CB-CD2 3.99Å; W207-L289 HydrophobicContact CD2-CB 3.73Å; W207-L289 HydrophobicContact CD2-CD1 4.41Å; W207-L289 HydrophobicContact CE3-CB 4.38Å; W207-L289 HydrophobicContact CG-CB 3.78Å; W207-L289 HydrophobicContact CG-CD1 4.3Å; W207-L289 HydrophobicContact CG-CD2 3.96Å; W207-L289 HydrophobicContact CG-CG 4.24Å; W207-L289 HydrophobicContact CZ2-CB 4.3Å; W207-L289 VanDerWaalsContact CZ2-N 3.33Å; V214-L289 HydrophobicContact CG1-CD1 3.74Å; V216-L289 HydrophobicContact CG1-CD2 4.41Å; V216-L289 HydrophobicContact CG2-CD1 3.74Å; V216-L289 HydrophobicContact CG2-CD2 3.97Å; I254-L289 HydrophobicContact CD1-CD2 3.5Å; I254-L289 HydrophobicContact CD1-CG 3.78Å; L256-L289 WeakPolarHBondContact CA-O 2.89Å; L256-L289 HydrophobicContact CD2-CD1 4.11Å; W257-L289 PolarHBondContact N-O 3.05Å; W286-L289 HydrophobicContact CZ3-CD1 4.36Å |
| 290 | V | 93.1 | Very high | 90.7 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -100.3 | 133.5 | -172.5 | -172 | 0 | 0 | 0 | 0 | 109.9 | I254 P255 S288 | I254-V290 HydrophobicContact CB-CG2 4.19Å; I254-V290 HydrophobicContact CD1-CG2 4.12Å; I254-V290 HydrophobicContact CG2-CG2 4.15Å; P255-V290 HydrophobicContact CG-CG1 4.03Å; P255-V290 CarbonylContact O-C 3.56Å; P255-V290 VanDerWaalsContact O-CA 3.31Å; P255-V290 WeakPolarHBondContact O-CA 3.41Å; S288-V290 WeakPolarHBondContact CB-O 3.39Å; S288-V290 PolarHBondContact OG-N 3.11Å; S288-V290 VanDerWaalsContact OG-N 3.08Å; S288-V290 PolarHBondContact OG-O 3.29Å |
| 291 | Y | 87.8 | Confident | 90.2 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | trans | -73.9 | 125.5 | 170.1 | -172.2 | -83.5 | 0 | 0 | 0 | 109.8 | A86 R89 P255 | A86-Y291 HydrophobicContact CB-CD2 3.82Å; A86-Y291 HydrophobicContact CB-CE2 3.41Å; A86-Y291 VanDerWaalsContact CB-CE2 3.41Å; R89-Y291 HydrophobicContact CB-CE2 4.2Å; R89-Y291 VanDerWaalsContact NH1-CG 3.31Å; P255-Y291 PolarHBondContact O-N 3.17Å | ||
| 292 | Q | 80.4 | Confident | 89.9 | Confident | 222 Ų | 222 | 68.8 Ų | 68.8 | 100% | 1.037 | 41% | 0.412 | S | S | * | . | trans | -93.4 | 0 | 176.7 | -69.3 | -176 | -33.3 | 0 | 0 | 111.7 |
Retrieved 292 of 292 residues in 134.2 ms
(Link to these results)