| 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 | 41.8 | Very low | 43.4 | Very low | 222 Ų | 222 | 145.3 Ų | 145.3 | 100% | 1.094 | 83% | 0.834 | S | S | * | * | 0 | 83.4 | 0 | -85 | -73.8 | -175.9 | 0 | 0 | 105.7 | |||||
| 2 | D | 40.4 | Very low | 43.2 | Very low | 163 Ų | 163 | 154.5 Ų | 154.5 | 87% | 0.872 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83 | 117.9 | -178.2 | -64 | -49.4 | 0 | 0 | 0 | 108.6 | ||
| 3 | Y | 46.6 | Very low | 42.7 | Very low | 222 Ų | 222 | 147.3 Ų | 147.3 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120 | 175.1 | -80.6 | -89.6 | 0 | 0 | 0 | 109.3 | ||
| 4 | L | 48.1 | Very low | 42.4 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.5 | 170.9 | -69.1 | 169.5 | 0 | 0 | 0 | 110 | ||
| 5 | P | 53.2 | Low | 42 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 133.3 | 179.6 | 27.9 | -31.2 | 0 | 0 | 0 | 111 | ||
| 6 | V | 43.8 | Very low | 41.8 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.7 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | ||
| 7 | P | 42.9 | Very low | 41.8 | Very low | 107 Ų | 107 | 153.3 Ų | 153.3 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 147.4 | 176 | -17 | 29.3 | 0 | 0 | 0 | 111.2 | ||
| 8 | P | 43.6 | Very low | 41.9 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 145.7 | 179.9 | 28.1 | -32.9 | 0 | 0 | 0 | 110.5 | L10 | P8-L10 PolarHBondContact O-N 3.42Å; P8-L10 VanDerWaalsContact O-N 3.13Å |
| 9 | A | 41 | Very low | 42.2 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | A11 | A9-A11 PolarHBondContact O-N 3.32Š|
| 10 | L | 39.8 | Very low | 43.3 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -56 | 111.3 | 172.6 | -73.1 | 163.2 | 0 | 0 | 0 | 108.8 | P8 W12 | P8-L10 PolarHBondContact O-N 3.42Å; P8-L10 VanDerWaalsContact O-N 3.13Å; L10-W12 PolarHBondContact O-N 3.19Å | ||
| 11 | A | 36.5 | Very low | 45.2 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -60 | 105.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | A9 G13 | A9-A11 PolarHBondContact O-N 3.32Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.43Å | ||
| 12 | W | 41.2 | Very low | 47.4 | Very low | 256 Ų | 256 | 130.8 Ų | 130.8 | 97% | 0.97 | 73% | 0.73 | S | S | * | * | trans | -67.4 | 92.6 | 167.5 | -91.2 | 14.4 | 0 | 0 | 0 | 109 | L10 | L10-W12 PolarHBondContact O-N 3.19Š| ||
| 13 | G | 36.4 | Very low | 49.8 | Very low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | trans | -165.8 | 61.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A11 | A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.43Å | ||
| 14 | R | 38.4 | Very low | 51.9 | Low | 234 Ų | 234 | 114.5 Ų | 114.5 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 168.2 | 125.1 | 150.1 | -93.8 | 159.5 | -176.9 | -108.7 | -0.1 | 107.8 | R16 | R14-R16 PolarHBondContact O-N 3.06Å; R14-R16 VanDerWaalsContact O-N 3.08Å |
| 15 | T | 36.1 | Very low | 53.8 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 89% | 0.89 | 65% | 0.648 | S | S | * | * | trans | -43.6 | 115.4 | 172.6 | 34.9 | 0 | 0 | 0 | 0 | 110.2 | A17 | T15-A17 VanDerWaalsContact C-N 3.29Å; T15-A17 PolarHBondContact O-N 3.25Å | ||
| 16 | R | 39.2 | Very low | 55.2 | Low | 237 Ų | 237 | 113.6 Ų | 113.6 | 89% | 0.894 | 64% | 0.639 | S | S | * | * | trans | -64.7 | 88.3 | 176.7 | -170.2 | -175.1 | -85.3 | -176.9 | -6.7 | 108.2 | R14 | R14-R16 PolarHBondContact O-N 3.06Å; R14-R16 VanDerWaalsContact O-N 3.08Å | ||
| 17 | A | 42.4 | Very low | 57.2 | Low | 75 Ų | 75 | 113.7 Ų | 113.7 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | trans | -58.3 | 139.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | T15 | T15-A17 VanDerWaalsContact C-N 3.29Å; T15-A17 PolarHBondContact O-N 3.25Å | ||
| 18 | S | 43 | Very low | 59.3 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 43% | 0.434 | 63% | 0.625 | S | S | . | * | trans | -34.8 | 141.6 | -173.6 | -169.1 | 0 | 0 | 0 | 0 | 115 | H20 | S18-H20 PolarHBondContact O-N 3.22Š| ||
| 19 | A | 46.8 | Very low | 61.4 | Low | 100 Ų | 100 | 109.1 Ų | 109.1 | 83% | 0.826 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -65.6 | 21 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 20 | H | 65.4 | Low | 63.8 | Low | 128 Ų | 128 | 104.4 Ų | 104.4 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -116.6 | 126.1 | 178.1 | -62.5 | -64.2 | 0 | 0 | 0 | 110.1 | S18 | S18-H20 PolarHBondContact O-N 3.22Š|
| 21 | S | 82.1 | Confident | 66.4 | Low | 63 Ų | 63 | 100.3 Ų | 100.3 | 44% | 0.441 | 55% | 0.549 | S | S | . | . | trans | -53.5 | 131.9 | 168.8 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | L23 | S21-L23 PolarHBondContact O-N 3.28Å; S21-L23 WeakPolarHBondContact OG-CD1 3.34Å; S21-L23 WeakPolarHBondContact OG-CG 3.46Å | ||
| 22 | P | 89.6 | Confident | 69.1 | Low | 10 Ų | 10 | 96 Ų | 96 | 7% | 0.065 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -73.5 | 26.4 | -179.1 | 32.8 | -37.4 | 0 | 0 | 0 | 113.1 | F24 P37 F40 L198 A199 | P22-F24 HydrophobicContact CB-CE2 4.43Å; P22-F24 VanDerWaalsContact O-CD2 3.25Å; P22-F24 WeakPolarHBondContact O-CD2 3.46Å; P22-F24 WeakPolarHBondContact O-CE2 3.21Å; P22-P37 HydrophobicContact CB-CG 3.94Å; P22-P37 HydrophobicContact CG-CG 3.95Å; P22-F40 HydrophobicContact CG-CB 4.21Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 HydrophobicContact CG-CD2 3.35Å; P22-F40 HydrophobicContact CG-CE2 3.76Å; P22-F40 HydrophobicContact CG-CG 3.75Å; P22-F40 HydrophobicContact CG-CZ 4.46Å; P22-L198 HydrophobicContact CB-CD1 3.75Å; P22-L198 HydrophobicContact CG-CD1 3.47Å; P22-L198 VanDerWaalsContact CG-CD1 3.47Å; P22-L198 WeakPolarHBondContact O-CA 3.38Å; P22-L198 WeakPolarHBondContact O-CD1 3.29Å; P22-A199 PolarHBondContact O-N 3.06Å |
| 23 | L | 90.4 | Very high | 71.5 | Confident | 19 Ų | 19 | 88.2 Ų | 88.2 | 10% | 0.099 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.7 | 178.8 | -64.6 | 175.2 | 0 | 0 | 0 | 109.6 | S21 V187 R196 V197 L198 | S21-L23 PolarHBondContact O-N 3.28Å; S21-L23 WeakPolarHBondContact OG-CD1 3.34Å; S21-L23 WeakPolarHBondContact OG-CG 3.46Å; L23-V187 HydrophobicContact CD2-CB 4.49Å; L23-V187 HydrophobicContact CD2-CG2 3.9Å; L23-R196 PolarHBondContact O-NH2 3.04Å; L23-V197 CarbonylContact C-O 3.56Å; L23-V197 WeakPolarHBondContact CA-O 3.36Å; L23-L198 HydrophobicContact CD2-CB 3.82Å; L23-L198 HydrophobicContact CD2-CD1 4.43Å |
| 24 | F | 90.7 | Very high | 74.1 | Confident | 23 Ų | 23 | 90 Ų | 90 | 10% | 0.101 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 164.4 | -175.2 | -57.5 | -76.9 | 0 | 0 | 0 | 111.1 | P22 P30 W34 L36 R196 V197 A199 | P22-F24 HydrophobicContact CB-CE2 4.43Å; P22-F24 VanDerWaalsContact O-CD2 3.25Å; P22-F24 WeakPolarHBondContact O-CD2 3.46Å; P22-F24 WeakPolarHBondContact O-CE2 3.21Å; F24-P30 HydrophobicContact CD1-CB 4.46Å; F24-P30 HydrophobicContact CD2-CG 3.99Å; F24-P30 HydrophobicContact CE1-CB 4.09Å; F24-P30 HydrophobicContact CE2-CB 4.19Å; F24-P30 HydrophobicContact CE2-CG 3.84Å; F24-P30 HydrophobicContact CG-CG 4.37Å; F24-P30 HydrophobicContact CZ-CB 3.93Å; F24-P30 HydrophobicContact CZ-CG 4.12Å; F24-W34 HydrophobicContact CD1-CZ3 4.01Å; F24-W34 AromaticContact CE1-CE3 3.95Å; F24-W34 HydrophobicContact CE1-CE3 3.95Å; F24-W34 AromaticContact CE1-CH2 3.74Å; F24-W34 HydrophobicContact CE1-CH2 3.74Å; F24-W34 AromaticContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CZ-CE3 4.27Å; F24-W34 HydrophobicContact CZ-CZ3 4Å; F24-L36 HydrophobicContact CE2-CD2 3.79Å; F24-L36 HydrophobicContact CZ-CD2 3.82Å; F24-R196 CarbonylContact O-C 3.52Å; F24-R196 VanDerWaalsContact O-CA 3.26Å; F24-R196 WeakPolarHBondContact O-CA 3.43Å; F24-R196 WeakPolarHBondContact O-CD 3.37Å; F24-R196 PolarHBondContact O-NE 2.78Å; F24-V197 PolarHBondContact N-O 3.49Å; F24-V197 PolarHBondContact O-N 3.47Å; F24-A199 HydrophobicContact CD2-CB 3.76Å; F24-A199 HydrophobicContact CE2-CB 3.67Å |
| 25 | R | 87.9 | Confident | 76.5 | Confident | 175 Ų | 175 | 83.1 Ų | 83.1 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 146.3 | 167.3 | -54.3 | -175.3 | -150.4 | -175.5 | 7.1 | 107.9 | N27 A28 | R25-N27 WeakPolarHBondContact CB-OD1 3.31Å; R25-N27 PolarHBondContact O-N 2.9Å; R25-N27 VanDerWaalsContact O-N 3.11Å; R25-A28 HydrophobicContact CB-CB 4.25Å; R25-A28 CarbonylContact O-C 3.5Å; R25-A28 PolarHBondContact O-N 2.95Å |
| 26 | S | 83.2 | Confident | 79.2 | Confident | 84 Ų | 84 | 77.2 Ų | 77.2 | 59% | 0.587 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.1 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 27 | N | 84.2 | Confident | 81.9 | Confident | 138 Ų | 138 | 67.5 Ų | 67.5 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.6 | 178.1 | 66.4 | -11.5 | 0 | 0 | 0 | 114.7 | R25 | R25-N27 WeakPolarHBondContact CB-OD1 3.31Å; R25-N27 PolarHBondContact O-N 2.9Å; R25-N27 VanDerWaalsContact O-N 3.11Å |
| 28 | A | 86.9 | Confident | 84.4 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -138.4 | 62.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R25 | R25-A28 HydrophobicContact CB-CB 4.25Å; R25-A28 CarbonylContact O-C 3.5Å; R25-A28 PolarHBondContact O-N 2.95Å |
| 29 | L | 89.2 | Confident | 86.9 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 149.8 | -179.9 | -66.1 | -176.9 | 0 | 0 | 0 | 111.8 | V197 | L29-V197 HydrophobicContact CD2-CG1 4.4Š|
| 30 | P | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 141.5 | -178.3 | 26.2 | -35.7 | 0 | 0 | 0 | 112.3 | F24 W34 L36 R182 A199 | F24-P30 HydrophobicContact CD1-CB 4.46Å; F24-P30 HydrophobicContact CD2-CG 3.99Å; F24-P30 HydrophobicContact CE1-CB 4.09Å; F24-P30 HydrophobicContact CE2-CB 4.19Å; F24-P30 HydrophobicContact CE2-CG 3.84Å; F24-P30 HydrophobicContact CG-CG 4.37Å; F24-P30 HydrophobicContact CZ-CB 3.93Å; F24-P30 HydrophobicContact CZ-CG 4.12Å; P30-W34 HydrophobicContact CB-CB 4.46Å; P30-W34 HydrophobicContact CB-CD2 4.34Å; P30-W34 HydrophobicContact CB-CE3 3.3Å; P30-W34 HydrophobicContact CB-CZ3 3.88Å; P30-L36 HydrophobicContact CB-CD1 4.43Å; P30-L36 HydrophobicContact CB-CD2 4.34Å; P30-L36 HydrophobicContact CG-CD1 3.9Å; P30-L36 HydrophobicContact CG-CD2 4.3Å; P30-R182 PolarHBondContact O-NH1 2.87Å; P30-A199 HydrophobicContact CG-CB 3.88Å |
| 31 | P | 93 | Very high | 90.3 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 157.6 | 167.8 | -28.4 | 38.2 | 0 | 0 | 0 | 113.3 | D33 W34 R182 | P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 WeakPolarHBondContact CB-OD1 3.26Å; P31-D33 PolarHBondContact O-N 3.16Å; P31-W34 WeakPolarHBondContact O-CB 3.41Å; P31-W34 PolarHBondContact O-N 3.34Å; P31-R182 PolarHBondContact O-NH1 3.16Å; P31-R182 PolarHBondContact O-NH2 3.46Å; P31-R182 VanDerWaalsContact O-NH2 3.12Å |
| 32 | L | 93.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.4 | -175.4 | -65.8 | 176.8 | 0 | 0 | 0 | 113.8 | F94 P105 Q128 T131 L133 R182 | L32-F94 HydrophobicContact CB-CZ 4.37Å; L32-F94 HydrophobicContact CD2-CD1 4.24Å; L32-F94 HydrophobicContact CD2-CE1 3.99Å; L32-F94 HydrophobicContact CD2-CZ 4.39Å; L32-P105 HydrophobicContact CB-CG 3.57Å; L32-P105 HydrophobicContact CD1-CG 4Å; L32-P105 HydrophobicContact CG-CG 4.46Å; L32-Q128 HydrophobicContact CD1-CB 4.38Å; L32-T131 HydrophobicContact CD1-CG2 3.96Å; L32-L133 HydrophobicContact CD1-CD2 3.89Å; L32-L133 HydrophobicContact CD2-CD2 4.06Å; L32-R182 PolarHBondContact O-NH2 2.91Å |
| 33 | D | 91.1 | Very high | 91 | Very high | 92 Ų | 92 | 66.3 Ų | 66.3 | 49% | 0.492 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.4 | 177.7 | 60.3 | -29.3 | 0 | 0 | 0 | 113.7 | P31 R104 | P31-D33 VanDerWaalsContact C-N 3.28Å; P31-D33 WeakPolarHBondContact CB-OD1 3.26Å; P31-D33 PolarHBondContact O-N 3.16Å; D33-R104 HydrophobicContact CB-CB 4.3Å; D33-R104 HydrophobicContact CB-CG 3.83Å |
| 34 | W | 91.3 | Very high | 91.4 | Very high | 100 Ų | 100 | 67.9 Ų | 67.9 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -76.2 | 132.3 | 179.2 | -140.8 | 15.7 | 0 | 0 | 0 | 110.5 | F24 P30 P31 L36 R182 | F24-W34 HydrophobicContact CD1-CZ3 4.01Å; F24-W34 AromaticContact CE1-CE3 3.95Å; F24-W34 HydrophobicContact CE1-CE3 3.95Å; F24-W34 AromaticContact CE1-CH2 3.74Å; F24-W34 HydrophobicContact CE1-CH2 3.74Å; F24-W34 AromaticContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CE1-CZ3 3.25Å; F24-W34 HydrophobicContact CZ-CE3 4.27Å; F24-W34 HydrophobicContact CZ-CZ3 4Å; P30-W34 HydrophobicContact CB-CB 4.46Å; P30-W34 HydrophobicContact CB-CD2 4.34Å; P30-W34 HydrophobicContact CB-CE3 3.3Å; P30-W34 HydrophobicContact CB-CZ3 3.88Å; P31-W34 WeakPolarHBondContact O-CB 3.41Å; P31-W34 PolarHBondContact O-N 3.34Å; W34-L36 PolarHBondContact O-N 3.33Å; W34-R182 PolarHBondContact O-NH2 3.17Å |
| 35 | P | 89.8 | Confident | 91.7 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | trans | -73.4 | 118.3 | -179.2 | 29.8 | -30.7 | 0 | 0 | 0 | 109.2 | ||||
| 36 | L | 92.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -115.5 | 146.6 | 177.1 | -65.5 | 175.9 | 0 | 0 | 0 | 109.8 | F24 P30 W34 R182 A199 Q201 | F24-L36 HydrophobicContact CE2-CD2 3.79Å; F24-L36 HydrophobicContact CZ-CD2 3.82Å; P30-L36 HydrophobicContact CB-CD1 4.43Å; P30-L36 HydrophobicContact CB-CD2 4.34Å; P30-L36 HydrophobicContact CG-CD1 3.9Å; P30-L36 HydrophobicContact CG-CD2 4.3Å; W34-L36 PolarHBondContact O-N 3.33Å; L36-R182 HydrophobicContact CD1-CG 4.29Å; L36-A199 HydrophobicContact CD1-CB 3.7Å; L36-A199 HydrophobicContact CD2-CB 4.22Å; L36-Q201 HydrophobicContact CB-CB 3.63Å; L36-Q201 HydrophobicContact CD1-CB 4.31Å | ||
| 37 | P | 94.7 | Very high | 93 | Very high | 34 Ų | 34 | 60.1 Ų | 60.1 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | trans | -76.6 | 154 | 178.8 | 33.2 | -35.1 | 0 | 0 | 0 | 111.3 | P22 Q39 L200 Q201 | P22-P37 HydrophobicContact CB-CG 3.94Å; P22-P37 HydrophobicContact CG-CG 3.95Å; P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 WeakPolarHBondContact CB-O 2.92Å; P37-L200 HydrophobicContact CG-CD2 4.36Å; P37-L200 CarbonylContact O-C 3.57Å; P37-L200 VanDerWaalsContact O-CA 3.3Å; P37-L200 WeakPolarHBondContact O-CA 3.35Å; P37-Q201 CarbonylContact C-O 3.6Å; P37-Q201 PolarHBondContact O-N 2.78Å | ||
| 38 | S | 96 | Very high | 93.6 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -78.9 | -22.1 | 169.4 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | L45 Q201 | S38-L45 PolarHBondContact O-N 3.16Å; S38-Q201 WeakPolarHBondContact CA-O 3.4Å; S38-Q201 WeakPolarHBondContact CB-O 3.37Å; S38-Q201 PolarHBondContact N-O 3.3Å |
| 39 | Q | 95.4 | Very high | 94.1 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 138.9 | -178.1 | -173.3 | -177.7 | -4.1 | 0 | 0 | 111.4 | P37 D41 F43 E44 | P37-Q39 VanDerWaalsContact C-N 3.34Å; P37-Q39 WeakPolarHBondContact CB-O 2.92Å; Q39-D41 PolarHBondContact NE2-O 3.14Å; Q39-F43 CarbonylContact C-O 3.57Å; Q39-F43 VanDerWaalsContact CA-O 3.26Å; Q39-F43 WeakPolarHBondContact CA-O 3.46Å; Q39-F43 VanDerWaalsContact CG-O 3.31Å; Q39-F43 WeakPolarHBondContact CG-O 3.44Å; Q39-E44 HydrophobicContact CB-CB 4.38Å; Q39-E44 HydrophobicContact CB-CG 4.23Å; Q39-E44 HydrophobicContact CG-CB 4.09Å; Q39-E44 HydrophobicContact CG-CG 4.35Å |
| 40 | F | 93.3 | Very high | 94.5 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 23% | 0.232 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 124.9 | 169.9 | -171.7 | -92.3 | 0 | 0 | 0 | 109.4 | P22 Q42 F43 L198 L200 | P22-F40 HydrophobicContact CG-CB 4.21Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 HydrophobicContact CG-CD2 3.35Å; P22-F40 HydrophobicContact CG-CE2 3.76Å; P22-F40 HydrophobicContact CG-CG 3.75Å; P22-F40 HydrophobicContact CG-CZ 4.46Å; F40-Q42 PolarHBondContact O-N 2.96Å; F40-F43 PolarHBondContact N-O 3.01Å; F40-F43 PolarHBondContact O-N 3.42Å; F40-L198 HydrophobicContact CB-CD1 3.93Å; F40-L198 HydrophobicContact CB-CD2 4.07Å; F40-L198 HydrophobicContact CD1-CD1 4.06Å; F40-L198 HydrophobicContact CD1-CD2 4.02Å; F40-L198 HydrophobicContact CG-CD1 4.02Å; F40-L198 HydrophobicContact CG-CD2 4.42Å; F40-L200 HydrophobicContact CB-CD2 3.93Å |
| 41 | D | 90.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -124.4 | -170.6 | -59.2 | -31 | 0 | 0 | 0 | 112 | Q39 F43 | Q39-D41 PolarHBondContact NE2-O 3.14Å; D41-F43 VanDerWaalsContact C-N 3.32Å |
| 42 | Q | 91 | Very high | 94.7 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.7 | 177 | 69.3 | -86 | 5.5 | 0 | 0 | 114.4 | F40 G82 | F40-Q42 PolarHBondContact O-N 2.96Å; Q42-G82 WeakPolarHBondContact O-CA 3.3Å |
| 43 | F | 95.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.4 | -173.2 | -56.1 | -69.8 | 0 | 0 | 0 | 111 | Q39 F40 D41 C81 G82 Y83 L185 V191 L198 L200 | Q39-F43 CarbonylContact C-O 3.57Å; Q39-F43 VanDerWaalsContact CA-O 3.26Å; Q39-F43 WeakPolarHBondContact CA-O 3.46Å; Q39-F43 VanDerWaalsContact CG-O 3.31Å; Q39-F43 WeakPolarHBondContact CG-O 3.44Å; F40-F43 PolarHBondContact N-O 3.01Å; F40-F43 PolarHBondContact O-N 3.42Å; D41-F43 VanDerWaalsContact C-N 3.32Å; F43-C81 WeakPolarHBondContact CA-O 3.24Å; F43-G82 WeakPolarHBondContact CE1-O 3.43Å; F43-Y83 HydrophobicContact CE1-CD2 4.23Å; F43-L185 HydrophobicContact CB-CD1 4.43Å; F43-L185 HydrophobicContact CD1-CD1 3.9Å; F43-L185 HydrophobicContact CD2-CD1 3.73Å; F43-L185 HydrophobicContact CE1-CD1 3.99Å; F43-L185 HydrophobicContact CE2-CD1 3.79Å; F43-L185 HydrophobicContact CG-CD1 3.77Å; F43-L185 HydrophobicContact CZ-CD1 3.92Å; F43-V191 HydrophobicContact CE2-CG1 4.15Å; F43-L198 HydrophobicContact CB-CD2 4.23Å; F43-L198 HydrophobicContact CD2-CD2 3.58Å; F43-L198 HydrophobicContact CE2-CD2 4.29Å; F43-L198 HydrophobicContact CG-CD2 4.23Å; F43-L200 HydrophobicContact CB-CD1 3.82Å |
| 44 | E | 97.5 | Very high | 94.6 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 120.4 | 177.8 | -174.8 | -171 | -166.9 | 0 | 0 | 110 | Q39 R46 L80 C81 | Q39-E44 HydrophobicContact CB-CB 4.38Å; Q39-E44 HydrophobicContact CB-CG 4.23Å; Q39-E44 HydrophobicContact CG-CB 4.09Å; Q39-E44 HydrophobicContact CG-CG 4.35Å; E44-R46 HydrophobicContact CG-CB 4.28Å; E44-R46 IonicContact OE2-CZ 3.13Å; E44-R46 IonicContact OE2-NE 2.92Å; E44-R46 IonicContact OE2-NH1 2.61Å; E44-R46 PolarHBondContact OE2-NH1 3.35Å; E44-L80 CarbonylContact O-C 3.57Å; E44-L80 WeakPolarHBondContact O-CA 3.31Å; E44-C81 HydrophobicContact CB-CB 4.31Å; E44-C81 PolarHBondContact N-O 3.19Å; E44-C81 VanDerWaalsContact N-O 3.16Å; E44-C81 PolarHBondContact O-N 2.78Å |
| 45 | L | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.2 | 166.1 | -175.2 | 68.9 | 0 | 0 | 0 | 108.5 | S38 V78 L80 L91 F181 T183 L200 V202 | S38-L45 PolarHBondContact O-N 3.16Å; L45-V78 HydrophobicContact CD1-CG1 3.73Å; L45-V78 HydrophobicContact CG-CG1 4.33Å; L45-L80 HydrophobicContact CB-CD1 4.44Å; L45-L80 HydrophobicContact CD1-CB 4.33Å; L45-L91 HydrophobicContact CD1-CD1 4.13Å; L45-L91 HydrophobicContact CD2-CD1 4.37Å; L45-F181 HydrophobicContact CD2-CB 4.33Å; L45-F181 WeakPolarHBondContact CD2-O 3.43Å; L45-T183 HydrophobicContact CD1-CG2 4.24Å; L45-T183 HydrophobicContact CD2-CG2 4.21Å; L45-L200 HydrophobicContact CB-CB 3.96Å; L45-L200 HydrophobicContact CB-CD1 4.32Å; L45-L200 HydrophobicContact CD2-CB 4.45Å; L45-V202 HydrophobicContact CD2-CG1 3.95Å; L45-V202 HydrophobicContact CG-CG1 3.83Å |
| 46 | R | 98.3 | Very high | 95 | Very high | 96 Ų | 96 | 56 Ų | 56 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.6 | -177.1 | 61.7 | 177.6 | 167.5 | -152.9 | 4.9 | 112.9 | E44 V78 K79 C81 | E44-R46 HydrophobicContact CG-CB 4.28Å; E44-R46 IonicContact OE2-CZ 3.13Å; E44-R46 IonicContact OE2-NE 2.92Å; E44-R46 IonicContact OE2-NH1 2.61Å; E44-R46 PolarHBondContact OE2-NH1 3.35Å; R46-V78 WeakPolarHBondContact O-CA 3.4Å; R46-K79 PolarHBondContact N-O 3.02Å; R46-K79 PolarHBondContact O-N 2.83Å; R46-C81 PolarHBondContact NE-SG 2.94Å; R46-C81 PolarHBondContact NH2-SG 3.02Å |
| 47 | I | 98.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 107.3 | 174.4 | -55.8 | 172.3 | 0 | 0 | 0 | 106.7 | V49 Q50 V77 V78 F181 V202 S204 | I47-V49 VanDerWaalsContact CG2-O 3.24Å; I47-V49 WeakPolarHBondContact CG2-O 3.3Å; I47-Q50 HydrophobicContact CG2-CG 4.27Å; I47-V77 CarbonylContact C-O 3.42Å; I47-V77 WeakPolarHBondContact CA-O 3.29Å; I47-V78 HydrophobicContact CG1-CG2 4.34Å; I47-F181 HydrophobicContact CD1-CD2 3.92Å; I47-F181 HydrophobicContact CD1-CE2 3.86Å; I47-F181 HydrophobicContact CG1-CD2 4.09Å; I47-F181 HydrophobicContact CG1-CE2 4.18Å; I47-V202 HydrophobicContact CD1-CG1 4.2Å; I47-V202 HydrophobicContact CD1-CG2 3.97Å; I47-V202 HydrophobicContact CG1-CG1 3.78Å; I47-V202 HydrophobicContact CG1-CG2 3.98Å; I47-S204 VanDerWaalsContact CD1-CA 3.45Å |
| 48 | E | 97.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -35.2 | 177.7 | -69.7 | -168.7 | 152.5 | 0 | 0 | 111.2 | V77 K79 | E48-V77 HydrophobicContact CB-CB 4.41Å; E48-V77 HydrophobicContact CB-CG1 4.27Å; E48-V77 PolarHBondContact N-O 3.28Å; E48-K79 VanDerWaalsContact CD-CD 3.49Å; E48-K79 HydrophobicContact CG-CB 4.11Å; E48-K79 HydrophobicContact CG-CD 4.4Å; E48-K79 WeakPolarHBondContact OE1-CD 3.32Å; E48-K79 IonicContact OE1-NZ 3.49Å; E48-K79 PolarHBondContact OE1-NZ 2.84Å; E48-K79 VanDerWaalsContact OE1-NZ 3.14Å |
| 49 | V | 97.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 56 Ų | 56 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.5 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | I47 A70 P76 V77 | I47-V49 VanDerWaalsContact CG2-O 3.24Å; I47-V49 WeakPolarHBondContact CG2-O 3.3Å; V49-A70 HydrophobicContact CG1-CB 3.41Å; V49-A70 VanDerWaalsContact CG1-CB 3.41Å; V49-P76 VanDerWaalsContact O-CA 3.24Å; V49-P76 WeakPolarHBondContact O-CA 3.49Å; V49-P76 WeakPolarHBondContact O-CB 3.34Å; V49-V77 HydrophobicContact CB-CB 3.9Å; V49-V77 HydrophobicContact CB-CG2 3.96Å; V49-V77 HydrophobicContact CG2-CB 3.92Å; V49-V77 HydrophobicContact CG2-CG2 3.85Å; V49-V77 PolarHBondContact N-O 2.8Å; V49-V77 PolarHBondContact O-N 3.01Å; V49-V77 VanDerWaalsContact O-N 3.1Å |
| 50 | Q | 97.4 | Very high | 95 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 150.3 | 179.8 | -69.6 | -73.9 | -4 | 0 | 0 | 111.9 | I47 A70 L205 | I47-Q50 HydrophobicContact CG2-CG 4.27Å; Q50-A70 WeakPolarHBondContact O-CB 3.42Å; Q50-L205 HydrophobicContact CB-CD1 4.36Å; Q50-L205 HydrophobicContact CG-CD1 4.1Å; Q50-L205 HydrophobicContact CG-CG 4.23Å; Q50-L205 VanDerWaalsContact OE1-N 3.07Å |
| 51 | P | 97.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 157 | 168.4 | 29.8 | -33.2 | 0 | 0 | 0 | 111.1 | V68 P76 I207 | P51-V68 HydrophobicContact CB-CG1 3.52Å; P51-P76 HydrophobicContact CB-CG 3.83Å; P51-I207 HydrophobicContact CB-CD1 3.79Å; P51-I207 HydrophobicContact CB-CG1 4.26Å; P51-I207 HydrophobicContact CG-CD1 3.71Å; P51-I207 HydrophobicContact CG-CG1 3.98Å |
| 52 | R | 91.6 | Very high | 94.8 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 149.5 | 168.7 | -71.7 | -179.7 | -176.1 | -159.7 | -3.7 | 109.7 | H54 K69 A70 A71 P72 | R52-H54 PolarHBondContact O-N 3.1Å; R52-K69 WeakPolarHBondContact CG-O 3.36Å; R52-K69 PolarHBondContact N-O 2.78Å; R52-A70 PolarHBondContact NE-O 3.36Å; R52-A70 PolarHBondContact NH2-O 3.35Å; R52-A71 HydrophobicContact CG-CB 4.16Å; R52-P72 PolarHBondContact NH2-O 3.34Å |
| 53 | P | 90.5 | Very high | 94.7 | Very high | 83 Ų | 83 | 58.3 Ų | 58.3 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -66.8 | 1.3 | 178.9 | 28.9 | -36.5 | 0 | 0 | 0 | 113.3 | E208 | P53-E208 WeakPolarHBondContact O-CB 3.44Å; P53-E208 PolarHBondContact O-N 3.01Å |
| 54 | H | 93.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -148.3 | 136.3 | 179.9 | -178 | 80.8 | 0 | 0 | 0 | 112.7 | R52 E208 S210 R212 | R52-H54 PolarHBondContact O-N 3.1Å; H54-E208 WeakPolarHBondContact CA-O 3.48Å; H54-E208 HydrophobicContact CB-CB 4.49Å; H54-E208 PolarHBondContact ND1-O 2.67Å; H54-S210 PolarHBondContact CE1-O 3.18Å; H54-R212 VanDerWaalsContact CB-NH2 3.33Å; H54-R212 PolarHBondContact CD2-NE 2.61Å; H54-R212 WeakPolarHBondContact CE1-CG 3.42Å; H54-R212 PolarHBondContact CE1-NE 3.11Å; H54-R212 PolarHBondContact ND1-NE 2.6Å; H54-R212 VanDerWaalsContact ND1-NE 3.19Å; H54-R212 WeakPolarHBondContact NE2-CD 3.44Å; H54-R212 PolarHBondContact NE2-NE 3.06Å |
| 55 | H | 94.8 | Very high | 94.3 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | trans | -152 | 113.3 | 171.6 | 173.3 | 90 | 0 | 0 | 0 | 108.1 | A57 G66 V68 I153 I207 E208 C209 | H55-A57 PolarHBondContact O-N 3.13Å; H55-A57 VanDerWaalsContact O-N 3.09Å; H55-G66 PolarHBondContact CE1-O 2.91Å; H55-V68 HydrophobicContact CB-CG2 4.4Å; H55-I153 HydrophobicContact CB-CD1 4.48Å; H55-I207 HydrophobicContact CB-CG2 3.77Å; H55-E208 PolarHBondContact N-O 3.12Å; H55-C209 VanDerWaalsContact O-CA 3.29Å; H55-C209 WeakPolarHBondContact O-CA 3.21Å | ||
| 56 | R | 94.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 64.8 Ų | 64.8 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | trans | -64.1 | 114.3 | 177.6 | 177.3 | -178.6 | 171.6 | 158 | 7.2 | 110.1 | Q211 | R56-Q211 VanDerWaalsContact CZ-CD 3.43Š| ||
| 57 | A | 96 | Very high | 94.1 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | trans | -68.2 | 158.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H55 Y109 I153 K155 C209 | H55-A57 PolarHBondContact O-N 3.13Å; H55-A57 VanDerWaalsContact O-N 3.09Å; A57-Y109 HydrophobicContact CB-CD1 3.99Å; A57-Y109 HydrophobicContact CB-CE1 3.77Å; A57-I153 WeakPolarHBondContact CA-O 3.11Å; A57-I153 HydrophobicContact CB-CB 4.17Å; A57-I153 HydrophobicContact CB-CG2 3.87Å; A57-K155 HydrophobicContact CB-CB 4.23Å; A57-C209 HydrophobicContact CB-CB 4.06Å; A57-C209 PolarHBondContact N-O 2.99Å; A57-C209 VanDerWaalsContact N-O 3.12Å | ||
| 58 | H | 95.1 | Very high | 94 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 154.5 | 176.7 | 66.4 | -69.8 | 0 | 0 | 0 | 111.1 | E62 R65 H112 I153 L154 K155 | H58-E62 HydrophobicContact CB-CB 4.12Å; H58-R65 HydrophobicContact CB-CB 4.49Å; H58-R65 HydrophobicContact CB-CG 3.68Å; H58-H112 AromaticContact CE1-CD2 3.45Å; H58-H112 PolarHBondContact CE1-CD2 3.36Å; H58-H112 VanDerWaalsContact CE1-CD2 3.45Å; H58-H112 AromaticContact CE1-CG 3.44Å; H58-H112 VanDerWaalsContact CE1-CG 3.44Å; H58-H112 AromaticContact CE1-ND1 3.92Å; H58-H112 AromaticContact CE1-NE2 3.93Å; H58-H112 AromaticContact NE2-CD2 3.71Å; H58-H112 AromaticContact NE2-CE1 3.69Å; H58-H112 AromaticContact NE2-CG 3.65Å; H58-H112 AromaticContact NE2-ND1 3.65Å; H58-H112 AromaticContact NE2-NE2 3.72Å; H58-I153 PolarHBondContact CE1-O 2.83Å; H58-I153 PolarHBondContact N-O 3.21Å; H58-I153 PolarHBondContact ND1-O 2.88Å; H58-L154 CarbonylContact O-C 3.6Å; H58-L154 WeakPolarHBondContact O-CA 3.12Å; H58-L154 WeakPolarHBondContact O-CD1 3.19Å; H58-K155 PolarHBondContact O-N 2.89Å |
| 59 | Y | 94.8 | Very high | 94 | Very high | 93 Ų | 93 | 59.9 Ų | 59.9 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | trans | -83.8 | 161.1 | 165.6 | -64.6 | -81.4 | 0 | 0 | 0 | 110.1 | T61 E62 K155 R157 | Y59-T61 PolarHBondContact O-N 3.04Å; Y59-E62 WeakPolarHBondContact CD2-OE1 3.26Å; Y59-E62 WeakPolarHBondContact O-CA 3.25Å; Y59-E62 WeakPolarHBondContact O-CB 3.45Å; Y59-E62 PolarHBondContact O-N 2.97Å; Y59-K155 HydrophobicContact CD1-CB 4.12Å; Y59-K155 HydrophobicContact CD1-CG 3.98Å; Y59-K155 WeakPolarHBondContact CD1-O 3.4Å; Y59-K155 HydrophobicContact CE1-CB 3.98Å; Y59-K155 HydrophobicContact CE1-CG 3.36Å; Y59-R157 HydrophobicContact CD1-CG 4.24Å | ||
| 60 | E | 91.4 | Very high | 93.8 | Very high | 153 Ų | 153 | 57.3 Ų | 57.3 | 72% | 0.715 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.7 | 177.5 | -172.9 | 167.4 | -146.9 | 0 | 0 | 112.9 | E62 L154 | E60-E62 VanDerWaalsContact C-N 3.28Å; E60-L154 HydrophobicContact CB-CD1 4.24Å |
| 61 | T | 90.9 | Very high | 93 | Very high | 121 Ų | 121 | 57.3 Ų | 57.3 | 74% | 0.742 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.8 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | Y59 | Y59-T61 PolarHBondContact O-N 3.04Š|
| 62 | E | 89.6 | Confident | 91.8 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -90.9 | 146.6 | 173.6 | -64.7 | -174.6 | -156 | 0 | 0 | 109.5 | H58 Y59 E60 R65 | H58-E62 HydrophobicContact CB-CB 4.12Å; Y59-E62 WeakPolarHBondContact CD2-OE1 3.26Å; Y59-E62 WeakPolarHBondContact O-CA 3.25Å; Y59-E62 WeakPolarHBondContact O-CB 3.45Å; Y59-E62 PolarHBondContact O-N 2.97Å; E60-E62 VanDerWaalsContact C-N 3.28Å; E62-R65 IonicContact OE2-CZ 2.61Å; E62-R65 IonicContact OE2-NE 3.68Å; E62-R65 PolarHBondContact OE2-NE 2.71Å; E62-R65 IonicContact OE2-NH2 3Å; E62-R65 PolarHBondContact OE2-NH2 2.87Å |
| 63 | G | 89.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 63 Ų | 63 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 152.7 | 165 | 0 | 0 | 0 | 0 | 0 | 111.4 | R65 | G63-R65 PolarHBondContact O-N 2.84Š|
| 64 | S | 91.3 | Very high | 91.4 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 134.9 | -179.4 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | G66 H112 | S64-G66 PolarHBondContact O-N 2.93Å; S64-G66 PolarHBondContact OG-N 2.8Å; S64-H112 PolarHBondContact OG-CD2 3.12Å; S64-H112 PolarHBondContact OG-NE2 2.98Å |
| 65 | R | 92.5 | Very high | 91.6 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | trans | -84 | 6.8 | 174.1 | -66.6 | -82.6 | -178.9 | -174.4 | -4.6 | 113 | H58 E62 G63 | H58-R65 HydrophobicContact CB-CB 4.49Å; H58-R65 HydrophobicContact CB-CG 3.68Å; E62-R65 IonicContact OE2-CZ 2.61Å; E62-R65 IonicContact OE2-NE 3.68Å; E62-R65 PolarHBondContact OE2-NE 2.71Å; E62-R65 IonicContact OE2-NH2 3Å; E62-R65 PolarHBondContact OE2-NH2 2.87Å; G63-R65 PolarHBondContact O-N 2.84Å | ||
| 66 | G | 95 | Very high | 91.8 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | trans | 77 | -176.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | H55 S64 | H55-G66 PolarHBondContact CE1-O 2.91Å; S64-G66 PolarHBondContact O-N 2.93Å; S64-G66 PolarHBondContact OG-N 2.8Å | ||
| 67 | A | 97.2 | Very high | 92 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | trans | -79.4 | 157.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V114 D149 A151 | A67-V114 HydrophobicContact CB-CB 4.43Å; A67-V114 HydrophobicContact CB-CG2 4.19Å; A67-D149 VanDerWaalsContact CB-C 3.46Å; A67-D149 WeakPolarHBondContact CB-O 3.02Å; A67-A151 CarbonylContact C-O 3.4Å; A67-A151 WeakPolarHBondContact CA-O 3.34Å; A67-A151 WeakPolarHBondContact CB-O 3.36Å | ||
| 68 | V | 97.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | trans | -59.9 | 136.7 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | P51 H55 H75 P76 A151 I153 L179 I207 | P51-V68 HydrophobicContact CB-CG1 3.52Å; H55-V68 HydrophobicContact CB-CG2 4.4Å; V68-H75 PolarHBondContact O-ND1 2.83Å; V68-P76 HydrophobicContact CG1-CG 4.3Å; V68-P76 WeakPolarHBondContact O-CD 3.33Å; V68-A151 PolarHBondContact N-O 3.01Å; V68-I153 HydrophobicContact CG2-CD1 3.93Å; V68-I153 HydrophobicContact CG2-CG1 3.9Å; V68-L179 HydrophobicContact CB-CD1 4.27Å; V68-L179 HydrophobicContact CG1-CD1 4.26Å; V68-L179 HydrophobicContact CG2-CD1 4.25Å; V68-I207 HydrophobicContact CG1-CD1 4.11Å | ||
| 69 | K | 96.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | trans | -107.3 | 159 | -176.3 | -64.5 | -69.5 | 179.2 | 174.1 | 0 | 111.2 | R52 G74 H75 | R52-K69 WeakPolarHBondContact CG-O 3.36Å; R52-K69 PolarHBondContact N-O 2.78Å; K69-G74 WeakPolarHBondContact CA-O 3.43Å; K69-G74 VanDerWaalsContact CD-O 3.26Å; K69-G74 WeakPolarHBondContact CD-O 3.48Å; K69-H75 VanDerWaalsContact CE-CE1 3.45Å; K69-H75 WeakPolarHBondContact CE-CE1 3.4Å; K69-H75 PolarHBondContact NZ-CE1 2.83Å; K69-H75 PolarHBondContact NZ-NE2 2.81Å | ||
| 70 | A | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -106.6 | 164.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V49 Q50 R52 G74 | V49-A70 HydrophobicContact CG1-CB 3.41Å; V49-A70 VanDerWaalsContact CG1-CB 3.41Å; Q50-A70 WeakPolarHBondContact O-CB 3.42Å; R52-A70 PolarHBondContact NE-O 3.36Å; R52-A70 PolarHBondContact NH2-O 3.35Å; A70-G74 PolarHBondContact N-O 2.87Å |
| 71 | A | 81.1 | Confident | 92.7 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -104.3 | 142.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R52 | R52-A71 HydrophobicContact CG-CB 4.16Š|
| 72 | P | 71.5 | Confident | 92.8 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 75% | 0.747 | 28% | 0.284 | S | S | * | . | S | Bend | cis | -76.8 | -30.5 | 1 | 29.2 | -33.4 | 0 | 0 | 0 | 113.9 | R52 | R52-P72 PolarHBondContact NH2-O 3.34Š|
| 73 | T | 82 | Confident | 92.9 | Very high | 117 Ų | 117 | 42.7 Ų | 42.7 | 72% | 0.718 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -143.5 | 167.2 | 176.8 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 74 | G | 93.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 89.2 | -150.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | K69 A70 | K69-G74 WeakPolarHBondContact CA-O 3.43Å; K69-G74 VanDerWaalsContact CD-O 3.26Å; K69-G74 WeakPolarHBondContact CD-O 3.48Å; A70-G74 PolarHBondContact N-O 2.87Å |
| 75 | H | 97.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 46.3 Ų | 46.3 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | trans | -132.1 | 159.5 | -170.5 | -67.3 | -84.1 | 0 | 0 | 0 | 111 | V68 K69 L147 D149 | V68-H75 PolarHBondContact O-ND1 2.83Å; K69-H75 VanDerWaalsContact CE-CE1 3.45Å; K69-H75 WeakPolarHBondContact CE-CE1 3.4Å; K69-H75 PolarHBondContact NZ-CE1 2.83Å; K69-H75 PolarHBondContact NZ-NE2 2.81Å; H75-L147 HydrophobicContact CB-CD1 3.83Å; H75-L147 HydrophobicContact CB-CG 4.15Å; H75-D149 HydrophobicContact CB-CB 4.34Å | ||
| 76 | P | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -57.2 | 149.1 | 173.5 | -21.6 | 32.9 | 0 | 0 | 0 | 111.7 | V49 P51 V68 I148 | V49-P76 VanDerWaalsContact O-CA 3.24Å; V49-P76 WeakPolarHBondContact O-CA 3.49Å; V49-P76 WeakPolarHBondContact O-CB 3.34Å; P51-P76 HydrophobicContact CB-CG 3.83Å; V68-P76 HydrophobicContact CG1-CG 4.3Å; V68-P76 WeakPolarHBondContact O-CD 3.33Å; P76-I148 HydrophobicContact CB-CB 4.21Å; P76-I148 HydrophobicContact CB-CG1 4.36Å; P76-I148 WeakPolarHBondContact O-CG1 3.41Å; P76-I148 PolarHBondContact O-N 2.74Å | ||
| 77 | V | 98.3 | Very high | 92.1 | Very high | 23 Ų | 23 | 56.8 Ų | 56.8 | 14% | 0.139 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.6 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 109 | I47 E48 V49 T145 A146 L147 | I47-V77 CarbonylContact C-O 3.42Å; I47-V77 WeakPolarHBondContact CA-O 3.29Å; E48-V77 HydrophobicContact CB-CB 4.41Å; E48-V77 HydrophobicContact CB-CG1 4.27Å; E48-V77 PolarHBondContact N-O 3.28Å; V49-V77 HydrophobicContact CB-CB 3.9Å; V49-V77 HydrophobicContact CB-CG2 3.96Å; V49-V77 HydrophobicContact CG2-CB 3.92Å; V49-V77 HydrophobicContact CG2-CG2 3.85Å; V49-V77 PolarHBondContact N-O 2.8Å; V49-V77 PolarHBondContact O-N 3.01Å; V49-V77 VanDerWaalsContact O-N 3.1Å; V77-T145 HydrophobicContact CG1-CG2 3.43Å; V77-T145 VanDerWaalsContact CG1-CG2 3.43Å; V77-A146 WeakPolarHBondContact CA-O 3.17Å; V77-L147 HydrophobicContact CG2-CD1 3.81Å |
| 78 | V | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.5 | 179.7 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | L45 R46 I47 L91 T145 A146 I148 F181 | L45-V78 HydrophobicContact CD1-CG1 3.73Å; L45-V78 HydrophobicContact CG-CG1 4.33Å; R46-V78 WeakPolarHBondContact O-CA 3.4Å; I47-V78 HydrophobicContact CG1-CG2 4.34Å; V78-L91 HydrophobicContact CB-CD2 4Å; V78-L91 HydrophobicContact CG1-CD1 4.24Å; V78-L91 HydrophobicContact CG1-CD2 3.98Å; V78-T145 CarbonylContact O-C 3.53Å; V78-T145 WeakPolarHBondContact O-CA 3.14Å; V78-A146 PolarHBondContact N-O 2.9Å; V78-A146 PolarHBondContact O-N 2.9Å; V78-I148 HydrophobicContact CG2-CD1 4.36Å; V78-I148 HydrophobicContact CG2-CG1 4.14Å; V78-F181 HydrophobicContact CG1-CB 4.36Å; V78-F181 HydrophobicContact CG1-CG 4.36Å; V78-F181 HydrophobicContact CG2-CD1 3.7Å; V78-F181 HydrophobicContact CG2-CD2 3.91Å; V78-F181 HydrophobicContact CG2-CE1 3.66Å; V78-F181 HydrophobicContact CG2-CE2 3.86Å; V78-F181 HydrophobicContact CG2-CG 3.83Å; V78-F181 HydrophobicContact CG2-CZ 3.73Å |
| 79 | K | 98.4 | Very high | 91.9 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 22% | 0.217 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 138.3 | -177.5 | -175.2 | 175.7 | -174.4 | 168 | 0 | 112.1 | R46 E48 M144 T145 | R46-K79 PolarHBondContact N-O 3.02Å; R46-K79 PolarHBondContact O-N 2.83Å; E48-K79 VanDerWaalsContact CD-CD 3.49Å; E48-K79 HydrophobicContact CG-CB 4.11Å; E48-K79 HydrophobicContact CG-CD 4.4Å; E48-K79 WeakPolarHBondContact OE1-CD 3.32Å; E48-K79 IonicContact OE1-NZ 3.49Å; E48-K79 PolarHBondContact OE1-NZ 2.84Å; E48-K79 VanDerWaalsContact OE1-NZ 3.14Å; K79-M144 WeakPolarHBondContact CA-O 3.3Å; K79-T145 HydrophobicContact CB-CG2 4.49Å; K79-T145 WeakPolarHBondContact CG-OG1 3.24Å |
| 80 | L | 98.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.1 | 166.8 | 178.7 | 66.4 | 0 | 0 | 0 | 109.7 | E44 L45 Y83 L89 L138 M144 T183 L200 | E44-L80 CarbonylContact O-C 3.57Å; E44-L80 WeakPolarHBondContact O-CA 3.31Å; L45-L80 HydrophobicContact CB-CD1 4.44Å; L45-L80 HydrophobicContact CD1-CB 4.33Å; L80-Y83 HydrophobicContact CD2-CG 4.07Å; L80-L89 HydrophobicContact CD2-CD1 3.56Å; L80-L138 HydrophobicContact CB-CD1 4.43Å; L80-M144 HydrophobicContact CB-CB 4.08Å; L80-M144 HydrophobicContact CD2-CE 4.06Å; L80-M144 PolarHBondContact N-O 3.08Å; L80-M144 WeakPolarHBondContact O-CB 3.49Å; L80-T183 HydrophobicContact CD1-CG2 4.3Å; L80-T183 HydrophobicContact CD2-CG2 4.4Å; L80-L200 HydrophobicContact CD1-CD1 3.98Å |
| 81 | C | 96.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 155.6 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | F43 E44 R46 Y83 | F43-C81 WeakPolarHBondContact CA-O 3.24Å; E44-C81 HydrophobicContact CB-CB 4.31Å; E44-C81 PolarHBondContact N-O 3.19Å; E44-C81 VanDerWaalsContact N-O 3.16Å; E44-C81 PolarHBondContact O-N 2.78Å; R46-C81 PolarHBondContact NE-SG 2.94Å; R46-C81 PolarHBondContact NH2-SG 3.02Å; C81-Y83 PolarHBondContact O-N 2.87Å |
| 82 | G | 93.2 | Very high | 93 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 80.1 | -6.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q42 F43 V84 | Q42-G82 WeakPolarHBondContact O-CA 3.3Å; F43-G82 WeakPolarHBondContact CE1-O 3.43Å; G82-V84 PolarHBondContact O-N 3.02Å |
| 83 | Y | 92.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | trans | -85.8 | 105.1 | 175.8 | -169.1 | -103.9 | 0 | 0 | 0 | 111 | F43 L80 C81 E85 K87 L89 M144 L185 | F43-Y83 HydrophobicContact CE1-CD2 4.23Å; L80-Y83 HydrophobicContact CD2-CG 4.07Å; C81-Y83 PolarHBondContact O-N 2.87Å; Y83-E85 HydrophobicContact CE1-CB 3.83Å; Y83-E85 WeakPolarHBondContact CE1-O 3.49Å; Y83-E85 HydrophobicContact CE2-CB 3.98Å; Y83-E85 HydrophobicContact CE2-CG 4.21Å; Y83-E85 WeakPolarHBondContact OH-CB 3.43Å; Y83-E85 PolarHBondContact OH-OE2 3.26Å; Y83-K87 VanDerWaalsContact CE1-O 3.32Å; Y83-K87 WeakPolarHBondContact CE1-O 3.24Å; Y83-L89 HydrophobicContact CD1-CD1 4.24Å; Y83-L89 HydrophobicContact CD2-CD1 4.22Å; Y83-L89 HydrophobicContact CE1-CD1 4.02Å; Y83-L89 HydrophobicContact CE1-CG 4.11Å; Y83-L89 HydrophobicContact CE2-CD1 4.04Å; Y83-L89 HydrophobicContact CG-CD1 4.31Å; Y83-M144 HydrophobicContact CD1-CE 3.58Å; Y83-M144 HydrophobicContact CD1-CG 4.07Å; Y83-M144 HydrophobicContact CD1-SD 3.93Å; Y83-M144 HydrophobicContact CE1-CE 3.89Å; Y83-M144 HydrophobicContact CE1-SD 4.33Å; Y83-M144 HydrophobicContact CG-CE 4.39Å; Y83-L185 HydrophobicContact CE2-CB 4.42Å | ||
| 84 | V | 87.5 | Confident | 95.1 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 82% | 0.818 | 25% | 0.246 | S | C | * | . | trans | -98.7 | -9.3 | -175.6 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | G82 | G82-V84 PolarHBondContact O-N 3.02Š| ||
| 85 | E | 86.6 | Confident | 95.3 | Very high | 67 Ų | 67 | 44.2 Ų | 44.2 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -70.6 | 147 | 178.4 | -64.8 | -178.8 | -148.5 | 0 | 0 | 111.1 | Y83 K87 | Y83-E85 HydrophobicContact CE1-CB 3.83Å; Y83-E85 WeakPolarHBondContact CE1-O 3.49Å; Y83-E85 HydrophobicContact CE2-CB 3.98Å; Y83-E85 HydrophobicContact CE2-CG 4.21Å; Y83-E85 WeakPolarHBondContact OH-CB 3.43Å; Y83-E85 PolarHBondContact OH-OE2 3.26Å; E85-K87 PolarHBondContact O-N 3.1Å |
| 86 | R | 85.3 | Confident | 95.2 | Very high | 229 Ų | 229 | 42.8 Ų | 42.8 | 86% | 0.864 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -88.5 | 34.6 | 178.8 | -62.6 | -169.5 | 178.9 | -155.3 | 0.7 | 113.2 | ||
| 87 | K | 91.9 | Very high | 95 | Very high | 135 Ų | 135 | 43.5 Ų | 43.5 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | trans | -111.6 | 134.5 | 179.2 | -70.2 | 179.1 | -179.3 | 171.3 | 0 | 110.8 | Y83 E85 | Y83-K87 VanDerWaalsContact CE1-O 3.32Å; Y83-K87 WeakPolarHBondContact CE1-O 3.24Å; E85-K87 PolarHBondContact O-N 3.1Å | ||
| 88 | P | 94.3 | Very high | 94.6 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | trans | -62.2 | 147.1 | 171.5 | -23.5 | 34.3 | 0 | 0 | 0 | 112.3 | L138 | P88-L138 CarbonylContact C-O 3.59Å; P88-L138 VanDerWaalsContact CA-O 3.3Å; P88-L138 WeakPolarHBondContact CA-O 3.33Å | ||
| 89 | L | 96.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 169.4 | 171.6 | -61.5 | 179.4 | 0 | 0 | 0 | 110.5 | L80 Y83 L138 M144 L185 | L80-L89 HydrophobicContact CD2-CD1 3.56Å; Y83-L89 HydrophobicContact CD1-CD1 4.24Å; Y83-L89 HydrophobicContact CD2-CD1 4.22Å; Y83-L89 HydrophobicContact CE1-CD1 4.02Å; Y83-L89 HydrophobicContact CE1-CG 4.11Å; Y83-L89 HydrophobicContact CE2-CD1 4.04Å; Y83-L89 HydrophobicContact CG-CD1 4.31Å; L89-L138 HydrophobicContact CB-CB 4.31Å; L89-L138 PolarHBondContact N-O 2.9Å; L89-L138 PolarHBondContact O-N 2.84Å; L89-M144 HydrophobicContact CB-CE 3.96Å; L89-M144 HydrophobicContact CD1-CE 3.64Å; L89-M144 HydrophobicContact CG-CE 3.75Å; L89-L185 HydrophobicContact CD1-CB 4.01Å |
| 90 | S | 96.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.7 | 168.9 | -170.9 | 0 | 0 | 0 | 0 | 110.7 | D135 T183 | S90-D135 PolarHBondContact OG-OD1 2.9Å; S90-T183 PolarHBondContact O-OG1 2.88Å |
| 91 | L | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.4 | 165.3 | -175.6 | 66.6 | 0 | 0 | 0 | 108.6 | L45 V78 V93 I136 L138 A146 I148 F181 | L45-L91 HydrophobicContact CD1-CD1 4.13Å; L45-L91 HydrophobicContact CD2-CD1 4.37Å; V78-L91 HydrophobicContact CB-CD2 4Å; V78-L91 HydrophobicContact CG1-CD1 4.24Å; V78-L91 HydrophobicContact CG1-CD2 3.98Å; L91-V93 HydrophobicContact CG-CG2 4.41Å; L91-I136 HydrophobicContact CB-CB 4.38Å; L91-I136 WeakPolarHBondContact CB-O 3.46Å; L91-I136 PolarHBondContact N-O 3.01Å; L91-I136 PolarHBondContact O-N 2.79Å; L91-L138 HydrophobicContact CB-CD1 3.88Å; L91-L138 HydrophobicContact CB-CD2 4.42Å; L91-L138 HydrophobicContact CB-CG 3.86Å; L91-L138 HydrophobicContact CD1-CD1 4.27Å; L91-L138 HydrophobicContact CD2-CD2 4.44Å; L91-A146 HydrophobicContact CD2-CB 3.99Å; L91-I148 HydrophobicContact CD2-CD1 4Å; L91-F181 HydrophobicContact CD1-CB 4Å; L91-F181 HydrophobicContact CD2-CD1 4.08Å; L91-F181 HydrophobicContact CG-CD1 4.4Å |
| 92 | Q | 98.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.117 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131 | 172.4 | -68.7 | 178.8 | -28.9 | 0 | 0 | 109.8 | L134 D135 F181 R182 H184 | Q92-L134 CarbonylContact C-O 3.56Å; Q92-D135 WeakPolarHBondContact CG-OD1 3.5Å; Q92-F181 CarbonylContact O-C 3.58Å; Q92-F181 WeakPolarHBondContact O-CA 3.47Å; Q92-R182 HydrophobicContact CB-CB 4.35Å; Q92-R182 WeakPolarHBondContact CB-O 3.32Å; Q92-R182 PolarHBondContact N-O 3.09Å; Q92-R182 PolarHBondContact O-N 2.87Å; Q92-H184 PolarHBondContact OE1-CE1 3.1Å; Q92-H184 VanDerWaalsContact OE1-CE1 3.28Å |
| 93 | V | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.3 | 176 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | L91 I111 L133 L134 I136 V180 F181 | L91-V93 HydrophobicContact CG-CG2 4.41Å; V93-I111 HydrophobicContact CG1-CD1 4.03Å; V93-L133 WeakPolarHBondContact O-CA 3.47Å; V93-L134 HydrophobicContact CB-CB 4.28Å; V93-L134 PolarHBondContact N-O 3.01Å; V93-L134 PolarHBondContact O-N 2.85Å; V93-I136 HydrophobicContact CG2-CD1 3.79Å; V93-I136 HydrophobicContact CG2-CG1 4.45Å; V93-V180 WeakPolarHBondContact CA-O 3.48Å; V93-F181 HydrophobicContact CB-CD1 4.37Å; V93-F181 HydrophobicContact CB-CE1 4.44Å; V93-F181 HydrophobicContact CG1-CD1 3.96Å; V93-F181 HydrophobicContact CG1-CE1 3.69Å; V93-F181 HydrophobicContact CG1-CZ 4.45Å; V93-F181 HydrophobicContact CG2-CD1 3.75Å; V93-F181 HydrophobicContact CG2-CE1 3.91Å |
| 94 | F | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 165 | 172.1 | 66.6 | -85.7 | 0 | 0 | 0 | 111.9 | L32 P105 T131 L133 V180 | L32-F94 HydrophobicContact CB-CZ 4.37Å; L32-F94 HydrophobicContact CD2-CD1 4.24Å; L32-F94 HydrophobicContact CD2-CE1 3.99Å; L32-F94 HydrophobicContact CD2-CZ 4.39Å; F94-P105 HydrophobicContact CE2-CG 4.27Å; F94-T131 HydrophobicContact CB-CG2 4.29Å; F94-L133 HydrophobicContact CB-CD2 3.57Å; F94-L133 HydrophobicContact CD1-CD2 4.03Å; F94-L133 HydrophobicContact CG-CD2 4.05Å; F94-V180 HydrophobicContact CD1-CB 4.02Å; F94-V180 HydrophobicContact CD1-CG1 4.3Å; F94-V180 HydrophobicContact CD2-CB 4.1Å; F94-V180 HydrophobicContact CD2-CG2 4.34Å; F94-V180 HydrophobicContact CE1-CB 3.68Å; F94-V180 HydrophobicContact CE1-CG1 3.49Å; F94-V180 VanDerWaalsContact CE1-CG1 3.49Å; F94-V180 HydrophobicContact CE2-CB 3.76Å; F94-V180 HydrophobicContact CE2-CG1 4.03Å; F94-V180 HydrophobicContact CE2-CG2 3.9Å; F94-V180 HydrophobicContact CG-CB 4.23Å; F94-V180 HydrophobicContact CZ-CB 3.55Å; F94-V180 HydrophobicContact CZ-CG1 3.34Å; F94-V180 HydrophobicContact CZ-CG2 4.09Å; F94-V180 PolarHBondContact N-O 2.82Å; F94-V180 PolarHBondContact O-N 2.9Å |
| 95 | V | 98.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 119.2 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | H106 I111 I153 V177 L179 | V95-H106 HydrophobicContact CG1-CB 4.02Å; V95-H106 PolarHBondContact O-N 3.28Å; V95-I111 HydrophobicContact CG2-CB 4.19Å; V95-I111 HydrophobicContact CG2-CD1 3.97Å; V95-I153 HydrophobicContact CG2-CG2 4.43Å; V95-V177 HydrophobicContact CG1-CB 3.56Å; V95-V177 HydrophobicContact CG1-CG1 3.82Å; V95-V177 HydrophobicContact CG1-CG2 3.8Å; V95-L179 HydrophobicContact CG2-CD2 4.35Å |
| 96 | G | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 167.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R104 V177 R178 | G96-R104 CarbonylContact C-O 3.55Å; G96-R104 WeakPolarHBondContact CA-O 3.45Å; G96-V177 WeakPolarHBondContact O-CA 3.25Å; G96-R178 PolarHBondContact N-O 3.46Å; G96-R178 PolarHBondContact O-N 3.45Å |
| 97 | T | 93.5 | Very high | 91.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 149.7 | 168.8 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | D99 S102 R104 | T97-D99 VanDerWaalsContact C-N 3.3Å; T97-S102 PolarHBondContact OG1-O 2.63Å; T97-R104 HydrophobicContact CG2-CB 4.37Å; T97-R104 PolarHBondContact N-O 2.97Å; T97-R104 PolarHBondContact OG1-N 3Å; T97-R104 PolarHBondContact OG1-O 3.11Å |
| 98 | A | 89.8 | Confident | 91.3 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -83.3 | -1.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D100 R176 R178 P206 | A98-D100 PolarHBondContact O-N 2.9Å; A98-R176 HydrophobicContact CB-CB 3.78Å; A98-R176 WeakPolarHBondContact CB-O 3.39Å; A98-R178 PolarHBondContact O-NE 3.19Å; A98-R178 PolarHBondContact O-NH2 3.03Å; A98-R178 VanDerWaalsContact O-NH2 3.14Å; A98-P206 HydrophobicContact CB-CB 4.27Å |
| 99 | D | 80.4 | Confident | 91.4 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | trans | -69.2 | 121.2 | 178.2 | 175.6 | 17.4 | 0 | 0 | 0 | 111.5 | T97 R101 S102 | T97-D99 VanDerWaalsContact C-N 3.3Å; D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 PolarHBondContact OD1-N 3.34Å; D99-S102 PolarHBondContact OD2-OG 2.85Å | ||
| 100 | D | 69.7 | Low | 91.5 | Very high | 125 Ų | 125 | 38.4 Ų | 38.4 | 67% | 0.668 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.9 | 179.5 | -75.7 | -56.2 | 0 | 0 | 0 | 113.6 | A98 R178 | A98-D100 PolarHBondContact O-N 2.9Å; D100-R178 IonicContact OD1-CZ 2.78Å; D100-R178 IonicContact OD1-NH1 3.14Å; D100-R178 PolarHBondContact OD1-NH1 3.19Å; D100-R178 IonicContact OD1-NH2 3.81Å; D100-R178 PolarHBondContact OD1-NH2 3.07Å; D100-R178 IonicContact OD2-NH2 3.37Å; D100-R178 PolarHBondContact OD2-NH2 2.77Å |
| 101 | R | 75.1 | Confident | 91.6 | Very high | 238 Ų | 238 | 36.1 Ų | 36.1 | 90% | 0.898 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -25 | -174.8 | -61.3 | -176.1 | -174.9 | -172.2 | 2.2 | 112.7 | D99 | D99-R101 VanDerWaalsContact C-N 3.26Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 PolarHBondContact OD1-N 3.34Å |
| 102 | S | 81.6 | Confident | 91.5 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | trans | -152.9 | 88.7 | -171.1 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | T97 D99 R104 | T97-S102 PolarHBondContact OG1-O 2.63Å; D99-S102 PolarHBondContact OD2-OG 2.85Å; S102-R104 PolarHBondContact O-N 3.17Å; S102-R104 PolarHBondContact OG-NH1 3.15Å | ||
| 103 | I | 90 | Very high | 91.5 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 15% | 0.149 | 19% | 0.194 | C | C | . | . | trans | -70.9 | 115.9 | 173 | -60.9 | -63.1 | 0 | 0 | 0 | 109.1 | V180 A203 | I103-V180 HydrophobicContact CG2-CB 4.47Å; I103-V180 HydrophobicContact CG2-CG1 4.08Å; I103-V180 HydrophobicContact CG2-CG2 3.55Å; I103-A203 HydrophobicContact CD1-CB 4Å; I103-A203 HydrophobicContact CG1-CB 4.24Å | ||
| 104 | R | 92.5 | Very high | 91.4 | Very high | 112 Ų | 112 | 42.3 Ų | 42.3 | 42% | 0.423 | 20% | 0.198 | S | C | . | . | trans | -130.9 | 158 | 173.6 | -61.9 | -169 | -68.4 | -75.3 | -8.4 | 109.8 | D33 G96 T97 S102 H106 | D33-R104 HydrophobicContact CB-CB 4.3Å; D33-R104 HydrophobicContact CB-CG 3.83Å; G96-R104 CarbonylContact C-O 3.55Å; G96-R104 WeakPolarHBondContact CA-O 3.45Å; T97-R104 HydrophobicContact CG2-CB 4.37Å; T97-R104 PolarHBondContact N-O 2.97Å; T97-R104 PolarHBondContact OG1-N 3Å; T97-R104 PolarHBondContact OG1-O 3.11Å; S102-R104 PolarHBondContact O-N 3.17Å; S102-R104 PolarHBondContact OG-NH1 3.15Å; R104-H106 PolarHBondContact O-N 3Å | ||
| 105 | P | 94.5 | Very high | 91.1 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -49.7 | 132.6 | 168.3 | -29.5 | 37.4 | 0 | 0 | 0 | 112 | L32 F94 T131 | L32-P105 HydrophobicContact CB-CG 3.57Å; L32-P105 HydrophobicContact CD1-CG 4Å; L32-P105 HydrophobicContact CG-CG 4.46Å; F94-P105 HydrophobicContact CE2-CG 4.27Å; P105-T131 HydrophobicContact CB-CG2 3.83Å; P105-T131 WeakPolarHBondContact CB-OG1 3.41Å; P105-T131 HydrophobicContact CG-CG2 4.28Å |
| 106 | H | 93.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | trans | -73.7 | 130.4 | 179.6 | -161.4 | -63.9 | 0 | 0 | 0 | 109.9 | V95 R104 F108 Y109 | V95-H106 HydrophobicContact CG1-CB 4.02Å; V95-H106 PolarHBondContact O-N 3.28Å; R104-H106 PolarHBondContact O-N 3Å; H106-F108 PolarHBondContact ND1-N 3.25Å; H106-Y109 AromaticContact CE1-CD2 3.42Å; H106-Y109 VanDerWaalsContact CE1-CD2 3.42Å; H106-Y109 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y109 AromaticContact CE1-CE2 3.86Å; H106-Y109 AromaticContact CG-CD2 3.89Å; H106-Y109 AromaticContact ND1-CD2 3.45Å; H106-Y109 WeakPolarHBondContact ND1-CD2 2.97Å; H106-Y109 PolarHBondContact ND1-N 2.98Å; H106-Y109 AromaticContact NE2-CD2 3.8Å | ||
| 107 | P | 90.7 | Very high | 90 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -72.1 | -37.7 | -177.1 | 22.8 | -33 | 0 | 0 | 0 | 114.9 | I161 E167 | P107-I161 WeakPolarHBondContact O-CD1 3.37Å; P107-E167 HydrophobicContact CB-CG 4.29Å; P107-E167 WeakPolarHBondContact CB-OE1 3.47Å; P107-E167 WeakPolarHBondContact CB-OE2 3.46Å; P107-E167 HydrophobicContact CG-CG 4.47Å; P107-E167 WeakPolarHBondContact CG-OE1 3.38Å |
| 108 | F | 92.4 | Very high | 89.6 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -91.9 | -7.4 | -178.3 | -66 | -86.5 | 0 | 0 | 0 | 115.2 | H106 L156 I161 G171 | H106-F108 PolarHBondContact ND1-N 3.25Å; F108-L156 PolarHBondContact O-N 2.8Å; F108-I161 HydrophobicContact CD1-CB 4.37Å; F108-I161 HydrophobicContact CD1-CG1 3.81Å; F108-I161 HydrophobicContact CD1-CG2 4.47Å; F108-I161 HydrophobicContact CE1-CB 3.97Å; F108-I161 HydrophobicContact CE1-CG1 3.94Å; F108-I161 HydrophobicContact CE1-CG2 3.94Å; F108-I161 HydrophobicContact CE2-CG2 4.48Å; F108-I161 HydrophobicContact CZ-CB 4.46Å; F108-I161 HydrophobicContact CZ-CG2 3.92Å; F108-G171 WeakPolarHBondContact CD2-O 3.38Å |
| 109 | Y | 95.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.7 | -177.4 | -64.7 | -86.2 | 0 | 0 | 0 | 110.9 | A57 H106 I153 L154 K155 V177 C209 | A57-Y109 HydrophobicContact CB-CD1 3.99Å; A57-Y109 HydrophobicContact CB-CE1 3.77Å; H106-Y109 AromaticContact CE1-CD2 3.42Å; H106-Y109 VanDerWaalsContact CE1-CD2 3.42Å; H106-Y109 WeakPolarHBondContact CE1-CD2 3.26Å; H106-Y109 AromaticContact CE1-CE2 3.86Å; H106-Y109 AromaticContact CG-CD2 3.89Å; H106-Y109 AromaticContact ND1-CD2 3.45Å; H106-Y109 WeakPolarHBondContact ND1-CD2 2.97Å; H106-Y109 PolarHBondContact ND1-N 2.98Å; H106-Y109 AromaticContact NE2-CD2 3.8Å; Y109-I153 HydrophobicContact CD1-CG2 3.83Å; Y109-I153 HydrophobicContact CG-CG2 4.37Å; Y109-L154 CarbonylContact C-O 3.58Å; Y109-L154 WeakPolarHBondContact CA-O 3.11Å; Y109-K155 HydrophobicContact CD1-CB 4.1Å; Y109-K155 HydrophobicContact CD1-CD 3.89Å; Y109-K155 HydrophobicContact CE1-CB 3.9Å; Y109-K155 HydrophobicContact CE1-CD 3.33Å; Y109-K155 HydrophobicContact CE1-CG 4.16Å; Y109-K155 HydrophobicContact CE2-CD 4.12Å; Y109-K155 HydrophobicContact CG-CD 4.5Å; Y109-K155 VanDerWaalsContact CZ-CD 3.44Å; Y109-V177 HydrophobicContact CD1-CG1 4.5Å; Y109-V177 HydrophobicContact CD2-CG1 3.43Å; Y109-V177 VanDerWaalsContact CD2-CG1 3.43Å; Y109-V177 HydrophobicContact CE2-CG1 3.99Å; Y109-V177 HydrophobicContact CG-CG1 3.76Å; Y109-C209 HydrophobicContact CD1-CB 4.26Å; Y109-C209 HydrophobicContact CE1-CB 3.54Å |
| 110 | Q | 97.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 158 | 175.8 | -71.2 | -170.1 | -9.4 | 0 | 0 | 111.1 | G130 K132 L154 L156 | Q110-G130 PolarHBondContact NE2-O 2.87Å; Q110-G130 VanDerWaalsContact NE2-O 3.1Å; Q110-K132 HydrophobicContact CB-CB 4.4Å; Q110-K132 HydrophobicContact CB-CD 4.35Å; Q110-K132 VanDerWaalsContact OE1-CE 3.31Å; Q110-K132 VanDerWaalsContact OE1-CG 3.25Å; Q110-L154 HydrophobicContact CB-CB 4.48Å; Q110-L154 PolarHBondContact N-O 3.39Å; Q110-L154 PolarHBondContact O-N 2.85Å; Q110-L156 HydrophobicContact CG-CD1 3.83Å; Q110-L156 HydrophobicContact CG-CD2 4.43Å; Q110-L156 HydrophobicContact CG-CG 4.28Å |
| 111 | I | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 141.8 | 168.8 | -156.9 | 69.4 | 0 | 0 | 0 | 108.5 | V93 V95 K132 L134 A151 L179 | V93-I111 HydrophobicContact CG1-CD1 4.03Å; V95-I111 HydrophobicContact CG2-CB 4.19Å; V95-I111 HydrophobicContact CG2-CD1 3.97Å; I111-K132 HydrophobicContact CG2-CB 3.76Å; I111-K132 VanDerWaalsContact CG2-O 3.24Å; I111-K132 WeakPolarHBondContact CG2-O 3.19Å; I111-L134 HydrophobicContact CG1-CB 3.99Å; I111-L134 HydrophobicContact CG1-CD2 4.5Å; I111-L134 HydrophobicContact CG2-CB 4.21Å; I111-A151 HydrophobicContact CD1-CB 4Å; I111-L179 HydrophobicContact CD1-CD2 3.91Å |
| 112 | H | 97.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126 | 174.2 | 172.8 | 77.4 | 0 | 0 | 0 | 109.3 | H58 S64 V114 G152 L154 | H58-H112 AromaticContact CE1-CD2 3.45Å; H58-H112 PolarHBondContact CE1-CD2 3.36Å; H58-H112 VanDerWaalsContact CE1-CD2 3.45Å; H58-H112 AromaticContact CE1-CG 3.44Å; H58-H112 VanDerWaalsContact CE1-CG 3.44Å; H58-H112 AromaticContact CE1-ND1 3.92Å; H58-H112 AromaticContact CE1-NE2 3.93Å; H58-H112 AromaticContact NE2-CD2 3.71Å; H58-H112 AromaticContact NE2-CE1 3.69Å; H58-H112 AromaticContact NE2-CG 3.65Å; H58-H112 AromaticContact NE2-ND1 3.65Å; H58-H112 AromaticContact NE2-NE2 3.72Å; S64-H112 PolarHBondContact OG-CD2 3.12Å; S64-H112 PolarHBondContact OG-NE2 2.98Å; H112-V114 PolarHBondContact O-N 2.86Å; H112-G152 PolarHBondContact N-O 3.07Å; H112-G152 PolarHBondContact O-N 3.05Å; H112-L154 HydrophobicContact CB-CB 4.23Å |
| 113 | R | 97.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 115 | 173.9 | -178.3 | 169.7 | 175.9 | -94.1 | 1.5 | 110.7 | T115 S123 E125 L134 | R113-T115 HydrophobicContact CG-CG2 4.32Å; R113-S123 PolarHBondContact NE-O 3.36Å; R113-S123 PolarHBondContact NE-OG 2.83Å; R113-S123 PolarHBondContact NH2-O 2.83Å; R113-E125 HydrophobicContact CB-CB 4.38Å; R113-L134 HydrophobicContact CB-CD1 3.71Å; R113-L134 HydrophobicContact CG-CD1 3.73Å |
| 114 | V | 96.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | trans | -90.9 | 131.4 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | A67 H112 V119 C150 | A67-V114 HydrophobicContact CB-CB 4.43Å; A67-V114 HydrophobicContact CB-CG2 4.19Å; H112-V114 PolarHBondContact O-N 2.86Å; V114-V119 HydrophobicContact CG1-CG2 4.01Å; V114-C150 PolarHBondContact N-O 2.98Å | ||
| 115 | T | 92.1 | Very high | 93.7 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 56% | 0.564 | 33% | 0.325 | S | S | * | . | trans | -125.3 | 158.2 | 174.8 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | R113 | R113-T115 HydrophobicContact CG-CG2 4.32Š| ||
| 116 | G | 87.3 | Confident | 93.8 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 152.3 | 172 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M118 V119 | G116-M118 PolarHBondContact O-N 3.34Å; G116-M118 VanDerWaalsContact O-N 3.15Å; G116-V119 PolarHBondContact O-N 3.26Å |
| 117 | K | 83.1 | Confident | 93.9 | Very high | 223 Ų | 223 | 62 Ų | 62 | 97% | 0.97 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.6 | -176.7 | -66.3 | -175.4 | 179 | -178.3 | 0 | 114.3 | ||
| 118 | M | 85.9 | Confident | 94 | Very high | 181 Ų | 181 | 64.2 Ų | 64.2 | 89% | 0.892 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.4 | 179.8 | -58.6 | -166.2 | -60.9 | 0 | 0 | 113.4 | G116 | G116-M118 PolarHBondContact O-N 3.34Å; G116-M118 VanDerWaalsContact O-N 3.15Å |
| 119 | V | 93.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 40% | 0.399 | C | S | . | . | trans | -97.4 | 111 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | V114 G116 C150 | V114-V119 HydrophobicContact CG1-CG2 4.01Å; G116-V119 PolarHBondContact O-N 3.26Å; V119-C150 HydrophobicContact CG1-CB 3.58Å | ||
| 120 | G | 91.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 75% | 0.753 | 42% | 0.415 | S | S | * | . | trans | -89 | -23.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D149 | G120-D149 PolarHBondContact N-OD2 2.78Š| ||
| 121 | T | 95.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 18% | 0.184 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -86.6 | 119.2 | -173.6 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | I136 L147 D149 | T121-I136 HydrophobicContact CG2-CG2 3.56Å; T121-L147 PolarHBondContact OG1-O 3.47Å; T121-D149 WeakPolarHBondContact CB-OD1 3.41Å; T121-D149 PolarHBondContact N-OD1 3.32Å; T121-D149 PolarHBondContact OG1-OD1 2.82Å |
| 122 | A | 94.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 71.5 Ų | 71.5 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | trans | -61.8 | 137.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P137 | A122-P137 WeakPolarHBondContact O-CD 3.26Š| ||
| 123 | S | 96.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 69.5 Ų | 69.5 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | trans | -153 | 155.2 | 179.5 | 64.9 | 0 | 0 | 0 | 0 | 112 | R113 D135 | R113-S123 PolarHBondContact NE-O 3.36Å; R113-S123 PolarHBondContact NE-OG 2.83Å; R113-S123 PolarHBondContact NH2-O 2.83Å; S123-D135 VanDerWaalsContact CA-O 3.26Å; S123-D135 WeakPolarHBondContact CA-O 3.4Å | ||
| 124 | H | 96.8 | Very high | 93.5 | Very high | 121 Ų | 121 | 64.8 Ų | 64.8 | 56% | 0.56 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.8 | 178.5 | 175.8 | -90 | 0 | 0 | 0 | 110.3 | D135 | H124-D135 HydrophobicContact CB-CB 4.44Å; H124-D135 PolarHBondContact N-O 2.87Å; H124-D135 PolarHBondContact O-N 2.82Å |
| 125 | E | 97.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.2 | 176.8 | -176 | 178.1 | 113.1 | 0 | 0 | 109.8 | R113 K132 L133 | R113-E125 HydrophobicContact CB-CB 4.38Å; E125-K132 WeakPolarHBondContact OE1-CD 3.36Å; E125-K132 WeakPolarHBondContact OE1-CE 3.35Å; E125-K132 IonicContact OE1-NZ 3.17Å; E125-K132 PolarHBondContact OE1-NZ 3.44Å; E125-K132 IonicContact OE2-NZ 3.78Å; E125-L133 WeakPolarHBondContact CA-O 3.33Å |
| 126 | S | 96.2 | Very high | 93.9 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 167.6 | 173.4 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | K132 L133 D135 | S126-K132 CarbonylContact O-C 3.5Å; S126-K132 WeakPolarHBondContact O-CA 3.46Å; S126-L133 PolarHBondContact N-O 2.98Å; S126-L133 PolarHBondContact O-N 2.86Å; S126-D135 PolarHBondContact OG-OD2 3.07Å |
| 127 | V | 95.5 | Very high | 94.4 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.7 | 179 | -179 | 0 | 0 | 0 | 0 | 109.7 | T131 K132 | V127-T131 WeakPolarHBondContact CA-O 3.47Å; V127-K132 HydrophobicContact CG2-CG 4.16Å |
| 128 | Q | 93.1 | Very high | 95 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.2 | 175 | -175.2 | 178.5 | -5.4 | 0 | 0 | 109.6 | L32 G130 T131 L133 | L32-Q128 HydrophobicContact CD1-CB 4.38Å; Q128-G130 PolarHBondContact O-N 3.02Å; Q128-G130 VanDerWaalsContact O-N 3.14Å; Q128-T131 PolarHBondContact N-O 2.9Å; Q128-T131 WeakPolarHBondContact O-CB 3.47Å; Q128-T131 PolarHBondContact O-N 2.86Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-L133 HydrophobicContact CB-CG 4.33Å |
| 129 | A | 89.4 | Confident | 95.5 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 78% | 0.777 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T131 | A129-T131 PolarHBondContact O-N 2.98Š|
| 130 | G | 90.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 44 Ų | 44 | 37% | 0.371 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 4.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q110 Q128 | Q110-G130 PolarHBondContact NE2-O 2.87Å; Q110-G130 VanDerWaalsContact NE2-O 3.1Å; Q128-G130 PolarHBondContact O-N 3.02Å; Q128-G130 VanDerWaalsContact O-N 3.14Å |
| 131 | T | 95 | Very high | 95.7 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.4 | 172.9 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | L32 F94 P105 V127 Q128 A129 L133 | L32-T131 HydrophobicContact CD1-CG2 3.96Å; F94-T131 HydrophobicContact CB-CG2 4.29Å; P105-T131 HydrophobicContact CB-CG2 3.83Å; P105-T131 WeakPolarHBondContact CB-OG1 3.41Å; P105-T131 HydrophobicContact CG-CG2 4.28Å; V127-T131 WeakPolarHBondContact CA-O 3.47Å; Q128-T131 PolarHBondContact N-O 2.9Å; Q128-T131 WeakPolarHBondContact O-CB 3.47Å; Q128-T131 PolarHBondContact O-N 2.86Å; A129-T131 PolarHBondContact O-N 2.98Å; T131-L133 HydrophobicContact CG2-CD2 4.5Å |
| 132 | K | 97.4 | Very high | 95.7 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 135 | 171.3 | -71.6 | -177.8 | 179.3 | -142 | 0 | 110.3 | Q110 I111 E125 S126 V127 | Q110-K132 HydrophobicContact CB-CB 4.4Å; Q110-K132 HydrophobicContact CB-CD 4.35Å; Q110-K132 VanDerWaalsContact OE1-CE 3.31Å; Q110-K132 VanDerWaalsContact OE1-CG 3.25Å; I111-K132 HydrophobicContact CG2-CB 3.76Å; I111-K132 VanDerWaalsContact CG2-O 3.24Å; I111-K132 WeakPolarHBondContact CG2-O 3.19Å; E125-K132 WeakPolarHBondContact OE1-CD 3.36Å; E125-K132 WeakPolarHBondContact OE1-CE 3.35Å; E125-K132 IonicContact OE1-NZ 3.17Å; E125-K132 PolarHBondContact OE1-NZ 3.44Å; E125-K132 IonicContact OE2-NZ 3.78Å; S126-K132 CarbonylContact O-C 3.5Å; S126-K132 WeakPolarHBondContact O-CA 3.46Å; V127-K132 HydrophobicContact CG2-CG 4.16Å |
| 133 | L | 98 | Very high | 95.7 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.6 | 172.6 | -56.8 | -177.6 | 0 | 0 | 0 | 108.7 | L32 V93 F94 E125 S126 Q128 T131 | L32-L133 HydrophobicContact CD1-CD2 3.89Å; L32-L133 HydrophobicContact CD2-CD2 4.06Å; V93-L133 WeakPolarHBondContact O-CA 3.47Å; F94-L133 HydrophobicContact CB-CD2 3.57Å; F94-L133 HydrophobicContact CD1-CD2 4.03Å; F94-L133 HydrophobicContact CG-CD2 4.05Å; E125-L133 WeakPolarHBondContact CA-O 3.33Å; S126-L133 PolarHBondContact N-O 2.98Å; S126-L133 PolarHBondContact O-N 2.86Å; Q128-L133 HydrophobicContact CB-CD1 3.79Å; Q128-L133 HydrophobicContact CB-CG 4.33Å; T131-L133 HydrophobicContact CG2-CD2 4.5Å |
| 134 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.2 | 169.1 | -170.4 | 68.9 | 0 | 0 | 0 | 108.5 | Q92 V93 I111 R113 I136 C150 A151 | Q92-L134 CarbonylContact C-O 3.56Å; V93-L134 HydrophobicContact CB-CB 4.28Å; V93-L134 PolarHBondContact N-O 3.01Å; V93-L134 PolarHBondContact O-N 2.85Å; I111-L134 HydrophobicContact CG1-CB 3.99Å; I111-L134 HydrophobicContact CG1-CD2 4.5Å; I111-L134 HydrophobicContact CG2-CB 4.21Å; R113-L134 HydrophobicContact CB-CD1 3.71Å; R113-L134 HydrophobicContact CG-CD1 3.73Å; L134-I136 HydrophobicContact CD2-CD1 4.24Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CG1 4.3Å; L134-C150 WeakPolarHBondContact CD2-O 3.4Å; L134-A151 HydrophobicContact CD2-CB 3.82Å |
| 135 | D | 98.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.3 | 176.7 | -69.5 | -73.1 | 0 | 0 | 0 | 109.5 | S90 Q92 S123 H124 S126 | S90-D135 PolarHBondContact OG-OD1 2.9Å; Q92-D135 WeakPolarHBondContact CG-OD1 3.5Å; S123-D135 VanDerWaalsContact CA-O 3.26Å; S123-D135 WeakPolarHBondContact CA-O 3.4Å; H124-D135 HydrophobicContact CB-CB 4.44Å; H124-D135 PolarHBondContact N-O 2.87Å; H124-D135 PolarHBondContact O-N 2.82Å; S126-D135 PolarHBondContact OG-OD2 3.07Å |
| 136 | I | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130 | -179.6 | -60.9 | 174.4 | 0 | 0 | 0 | 108.6 | L91 V93 T121 L134 A146 I148 C150 | L91-I136 HydrophobicContact CB-CB 4.38Å; L91-I136 WeakPolarHBondContact CB-O 3.46Å; L91-I136 PolarHBondContact N-O 3.01Å; L91-I136 PolarHBondContact O-N 2.79Å; V93-I136 HydrophobicContact CG2-CD1 3.79Å; V93-I136 HydrophobicContact CG2-CG1 4.45Å; T121-I136 HydrophobicContact CG2-CG2 3.56Å; L134-I136 HydrophobicContact CD2-CD1 4.24Å; L134-I136 HydrophobicContact CD2-CG1 4.44Å; L134-I136 HydrophobicContact CG-CG1 4.3Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; I136-I148 HydrophobicContact CD1-CD1 3.82Å; I136-I148 HydrophobicContact CD1-CG2 4.42Å; I136-C150 VanDerWaalsContact CD1-SG 3.59Å |
| 137 | P | 97.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.5 | 178.9 | 28.5 | -33.2 | 0 | 0 | 0 | 111.7 | A122 | A122-P137 WeakPolarHBondContact O-CD 3.26Å |
| 138 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 117.5 | 165 | -71.1 | 171 | 0 | 0 | 0 | 108.6 | L80 P88 L89 L91 M144 A146 | L80-L138 HydrophobicContact CB-CD1 4.43Å; P88-L138 CarbonylContact C-O 3.59Å; P88-L138 VanDerWaalsContact CA-O 3.3Å; P88-L138 WeakPolarHBondContact CA-O 3.33Å; L89-L138 HydrophobicContact CB-CB 4.31Å; L89-L138 PolarHBondContact N-O 2.9Å; L89-L138 PolarHBondContact O-N 2.84Å; L91-L138 HydrophobicContact CB-CD1 3.88Å; L91-L138 HydrophobicContact CB-CD2 4.42Å; L91-L138 HydrophobicContact CB-CG 3.86Å; L91-L138 HydrophobicContact CD1-CD1 4.27Å; L91-L138 HydrophobicContact CD2-CD2 4.44Å; L138-M144 HydrophobicContact CB-CE 3.64Å; L138-M144 HydrophobicContact CB-SD 4.39Å; L138-A146 HydrophobicContact CD2-CB 3.7Å |
| 139 | N | 96.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | trans | -111.7 | 133.4 | -170.2 | -69.8 | -43.6 | 0 | 0 | 0 | 110.6 | E141 N142 M144 | N139-E141 WeakPolarHBondContact CB-OE2 3.48Å; N139-E141 PolarHBondContact O-N 2.81Å; N139-N142 PolarHBondContact O-N 3.05Å; N139-N142 VanDerWaalsContact O-N 3.12Å; N139-N142 PolarHBondContact O-OD1 3.04Å; N139-M144 PolarHBondContact O-N 3.43Å | ||
| 140 | P | 94.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 34.4 Ų | 34.4 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -58 | -30.8 | 175.4 | -24.6 | 33.4 | 0 | 0 | 0 | 112.8 | N142 N143 M144 | P140-N142 PolarHBondContact O-N 3.26Å; P140-N143 PolarHBondContact O-N 3.15Å; P140-M144 HydrophobicContact CB-SD 4.37Å; P140-M144 HydrophobicContact CG-SD 3.96Å; P140-M144 VanDerWaalsContact N-SD 3.42Å |
| 141 | E | 94.4 | Very high | 97 | Very high | 154 Ų | 154 | 32.7 Ų | 32.7 | 72% | 0.72 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -63.4 | -25.2 | 179.5 | -60.5 | 74.6 | -161.4 | 0 | 0 | 112.9 | N139 | N139-E141 WeakPolarHBondContact CB-OE2 3.48Å; N139-E141 PolarHBondContact O-N 2.81Å |
| 142 | N | 94.2 | Very high | 97.1 | Very high | 66 Ų | 66 | 32 Ų | 32 | 35% | 0.353 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -106.4 | 24.7 | 175.9 | 74.3 | 13.7 | 0 | 0 | 0 | 112.5 | N139 P140 M144 T145 | N139-N142 PolarHBondContact O-N 3.05Å; N139-N142 VanDerWaalsContact O-N 3.12Å; N139-N142 PolarHBondContact O-OD1 3.04Å; P140-N142 PolarHBondContact O-N 3.26Å; N142-M144 VanDerWaalsContact C-N 3.26Å; N142-M144 PolarHBondContact O-N 2.98Å; N142-M144 PolarHBondContact OD1-N 3.34Å; N142-T145 PolarHBondContact ND2-O 3.14Å; N142-T145 VanDerWaalsContact O-CB 3.29Å; N142-T145 WeakPolarHBondContact O-CB 3.45Å; N142-T145 PolarHBondContact O-N 3.06Å; N142-T145 PolarHBondContact O-OG1 3Å; N142-T145 PolarHBondContact OD1-N 2.86Å; N142-T145 PolarHBondContact OD1-O 2.84Å; N142-T145 VanDerWaalsContact OD1-O 3.1Å |
| 143 | N | 95.6 | Very high | 97.2 | Very high | 123 Ų | 123 | 30 Ų | 30 | 66% | 0.658 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.4 | -176.8 | -59.4 | -46.9 | 0 | 0 | 0 | 112.6 | P140 T145 | P140-N143 PolarHBondContact O-N 3.15Å; N143-T145 PolarHBondContact O-N 2.61Å; N143-T145 VanDerWaalsContact O-N 3.16Å; N143-T145 PolarHBondContact O-OG1 3.34Å |
| 144 | M | 97.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.9 | 179.9 | -57 | -59.8 | -72.7 | 0 | 0 | 112.6 | K79 L80 Y83 L89 L138 N139 P140 N142 | K79-M144 WeakPolarHBondContact CA-O 3.3Å; L80-M144 HydrophobicContact CB-CB 4.08Å; L80-M144 HydrophobicContact CD2-CE 4.06Å; L80-M144 PolarHBondContact N-O 3.08Å; L80-M144 WeakPolarHBondContact O-CB 3.49Å; Y83-M144 HydrophobicContact CD1-CE 3.58Å; Y83-M144 HydrophobicContact CD1-CG 4.07Å; Y83-M144 HydrophobicContact CD1-SD 3.93Å; Y83-M144 HydrophobicContact CE1-CE 3.89Å; Y83-M144 HydrophobicContact CE1-SD 4.33Å; Y83-M144 HydrophobicContact CG-CE 4.39Å; L89-M144 HydrophobicContact CB-CE 3.96Å; L89-M144 HydrophobicContact CD1-CE 3.64Å; L89-M144 HydrophobicContact CG-CE 3.75Å; L138-M144 HydrophobicContact CB-CE 3.64Å; L138-M144 HydrophobicContact CB-SD 4.39Å; N139-M144 PolarHBondContact O-N 3.43Å; P140-M144 HydrophobicContact CB-SD 4.37Å; P140-M144 HydrophobicContact CG-SD 3.96Å; P140-M144 VanDerWaalsContact N-SD 3.42Å; N142-M144 VanDerWaalsContact C-N 3.26Å; N142-M144 PolarHBondContact O-N 2.98Å; N142-M144 PolarHBondContact OD1-N 3.34Å |
| 145 | T | 98 | Very high | 97 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 18% | 0.184 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.3 | -176.4 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | V77 V78 K79 N142 N143 | V77-T145 HydrophobicContact CG1-CG2 3.43Å; V77-T145 VanDerWaalsContact CG1-CG2 3.43Å; V78-T145 CarbonylContact O-C 3.53Å; V78-T145 WeakPolarHBondContact O-CA 3.14Å; K79-T145 HydrophobicContact CB-CG2 4.49Å; K79-T145 WeakPolarHBondContact CG-OG1 3.24Å; N142-T145 PolarHBondContact ND2-O 3.14Å; N142-T145 VanDerWaalsContact O-CB 3.29Å; N142-T145 WeakPolarHBondContact O-CB 3.45Å; N142-T145 PolarHBondContact O-N 3.06Å; N142-T145 PolarHBondContact O-OG1 3Å; N142-T145 PolarHBondContact OD1-N 2.86Å; N142-T145 PolarHBondContact OD1-O 2.84Å; N142-T145 VanDerWaalsContact OD1-O 3.1Å; N143-T145 PolarHBondContact O-N 2.61Å; N143-T145 VanDerWaalsContact O-N 3.16Å; N143-T145 PolarHBondContact O-OG1 3.34Å |
| 146 | A | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V77 V78 L91 I136 L138 I148 | V77-A146 WeakPolarHBondContact CA-O 3.17Å; V78-A146 PolarHBondContact N-O 2.9Å; V78-A146 PolarHBondContact O-N 2.9Å; L91-A146 HydrophobicContact CD2-CB 3.99Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; L138-A146 HydrophobicContact CD2-CB 3.7Å; A146-I148 HydrophobicContact CB-CD1 3.93Å |
| 147 | L | 97.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 40% | 0.403 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 124.7 | 166.1 | -175.3 | 72.2 | 0 | 0 | 0 | 108.8 | H75 V77 T121 D149 | H75-L147 HydrophobicContact CB-CD1 3.83Å; H75-L147 HydrophobicContact CB-CG 4.15Å; V77-L147 HydrophobicContact CG2-CD1 3.81Å; T121-L147 PolarHBondContact OG1-O 3.47Å; L147-D149 VanDerWaalsContact C-N 3.35Å; L147-D149 HydrophobicContact CD2-CB 4.34Å; L147-D149 HydrophobicContact CG-CB 4.42Å; L147-D149 PolarHBondContact O-N 3.31Å |
| 148 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -95.6 | 64.6 | -173.2 | -45.4 | -58.6 | 0 | 0 | 0 | 110.1 | P76 V78 L91 I136 A146 A151 F181 | P76-I148 HydrophobicContact CB-CB 4.21Å; P76-I148 HydrophobicContact CB-CG1 4.36Å; P76-I148 WeakPolarHBondContact O-CG1 3.41Å; P76-I148 PolarHBondContact O-N 2.74Å; V78-I148 HydrophobicContact CG2-CD1 4.36Å; V78-I148 HydrophobicContact CG2-CG1 4.14Å; L91-I148 HydrophobicContact CD2-CD1 4Å; I136-I148 HydrophobicContact CD1-CD1 3.82Å; I136-I148 HydrophobicContact CD1-CG2 4.42Å; A146-I148 HydrophobicContact CB-CD1 3.93Å; I148-A151 HydrophobicContact CG2-CB 3.6Å; I148-F181 HydrophobicContact CD1-CE1 4.08Å; I148-F181 HydrophobicContact CG1-CE1 3.92Å; I148-F181 HydrophobicContact CG1-CZ 4.35Å; I148-F181 HydrophobicContact CG2-CE1 4.35Å | ||
| 149 | D | 97.7 | Very high | 95 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | trans | -93.1 | -2.1 | 179.3 | 72.6 | -17.7 | 0 | 0 | 0 | 114.2 | A67 H75 G120 T121 L147 | A67-D149 VanDerWaalsContact CB-C 3.46Å; A67-D149 WeakPolarHBondContact CB-O 3.02Å; H75-D149 HydrophobicContact CB-CB 4.34Å; G120-D149 PolarHBondContact N-OD2 2.78Å; T121-D149 WeakPolarHBondContact CB-OD1 3.41Å; T121-D149 PolarHBondContact N-OD1 3.32Å; T121-D149 PolarHBondContact OG1-OD1 2.82Å; L147-D149 VanDerWaalsContact C-N 3.35Å; L147-D149 HydrophobicContact CD2-CB 4.34Å; L147-D149 HydrophobicContact CG-CB 4.42Å; L147-D149 PolarHBondContact O-N 3.31Å | ||
| 150 | C | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -111.5 | 7.6 | -175.8 | 63.8 | 0 | 0 | 0 | 0 | 114 | V114 V119 L134 I136 | V114-C150 PolarHBondContact N-O 2.98Å; V119-C150 HydrophobicContact CG1-CB 3.58Å; L134-C150 WeakPolarHBondContact CD2-O 3.4Å; I136-C150 VanDerWaalsContact CD1-SG 3.59Å |
| 151 | A | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A67 V68 I111 L134 I148 | A67-A151 CarbonylContact C-O 3.4Å; A67-A151 WeakPolarHBondContact CA-O 3.34Å; A67-A151 WeakPolarHBondContact CB-O 3.36Å; V68-A151 PolarHBondContact N-O 3.01Å; I111-A151 HydrophobicContact CD1-CB 4Å; L134-A151 HydrophobicContact CD2-CB 3.82Å; I148-A151 HydrophobicContact CG2-CB 3.6Å |
| 152 | G | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 179.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | H112 | H112-G152 PolarHBondContact N-O 3.07Å; H112-G152 PolarHBondContact O-N 3.05Å |
| 153 | I | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.1 | -178.5 | -52.5 | 178 | 0 | 0 | 0 | 110.4 | H55 A57 H58 V68 V95 Y109 V177 I207 | H55-I153 HydrophobicContact CB-CD1 4.48Å; A57-I153 WeakPolarHBondContact CA-O 3.11Å; A57-I153 HydrophobicContact CB-CB 4.17Å; A57-I153 HydrophobicContact CB-CG2 3.87Å; H58-I153 PolarHBondContact CE1-O 2.83Å; H58-I153 PolarHBondContact N-O 3.21Å; H58-I153 PolarHBondContact ND1-O 2.88Å; V68-I153 HydrophobicContact CG2-CD1 3.93Å; V68-I153 HydrophobicContact CG2-CG1 3.9Å; V95-I153 HydrophobicContact CG2-CG2 4.43Å; Y109-I153 HydrophobicContact CD1-CG2 3.83Å; Y109-I153 HydrophobicContact CG-CG2 4.37Å; I153-V177 HydrophobicContact CD1-CG2 3.93Å; I153-I207 HydrophobicContact CD1-CD1 4.38Å; I153-I207 HydrophobicContact CD1-CG2 4.44Å |
| 154 | L | 97 | Very high | 90.6 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129 | 176.1 | -174.7 | 74.3 | 0 | 0 | 0 | 110 | H58 E60 Y109 Q110 H112 L156 | H58-L154 CarbonylContact O-C 3.6Å; H58-L154 WeakPolarHBondContact O-CA 3.12Å; H58-L154 WeakPolarHBondContact O-CD1 3.19Å; E60-L154 HydrophobicContact CB-CD1 4.24Å; Y109-L154 CarbonylContact C-O 3.58Å; Y109-L154 WeakPolarHBondContact CA-O 3.11Å; Q110-L154 HydrophobicContact CB-CB 4.48Å; Q110-L154 PolarHBondContact N-O 3.39Å; Q110-L154 PolarHBondContact O-N 2.85Å; H112-L154 HydrophobicContact CB-CB 4.23Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.47Å |
| 155 | K | 95 | Very high | 89 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.7 | 167.7 | 177.5 | 73 | -179.5 | 79 | 0 | 108.8 | A57 H58 Y59 Y109 N158 | A57-K155 HydrophobicContact CB-CB 4.23Å; H58-K155 PolarHBondContact O-N 2.89Å; Y59-K155 HydrophobicContact CD1-CB 4.12Å; Y59-K155 HydrophobicContact CD1-CG 3.98Å; Y59-K155 WeakPolarHBondContact CD1-O 3.4Å; Y59-K155 HydrophobicContact CE1-CB 3.98Å; Y59-K155 HydrophobicContact CE1-CG 3.36Å; Y109-K155 HydrophobicContact CD1-CB 4.1Å; Y109-K155 HydrophobicContact CD1-CD 3.89Å; Y109-K155 HydrophobicContact CE1-CB 3.9Å; Y109-K155 HydrophobicContact CE1-CD 3.33Å; Y109-K155 HydrophobicContact CE1-CG 4.16Å; Y109-K155 HydrophobicContact CE2-CD 4.12Å; Y109-K155 HydrophobicContact CG-CD 4.5Å; Y109-K155 VanDerWaalsContact CZ-CD 3.44Å; K155-N158 PolarHBondContact NZ-OD1 3.3Å |
| 156 | L | 92.5 | Very high | 87.3 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 145.4 | 172.9 | -60.1 | -179.8 | 0 | 0 | 0 | 110.4 | F108 Q110 L154 I161 | F108-L156 PolarHBondContact O-N 2.8Å; Q110-L156 HydrophobicContact CG-CD1 3.83Å; Q110-L156 HydrophobicContact CG-CD2 4.43Å; Q110-L156 HydrophobicContact CG-CG 4.28Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.47Å; L156-I161 HydrophobicContact CB-CD1 3.74Å; L156-I161 HydrophobicContact CB-CG1 4.17Å; L156-I161 HydrophobicContact CD1-CD1 3.52Å; L156-I161 HydrophobicContact CG-CD1 4.29Å |
| 157 | R | 89.3 | Confident | 85.8 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -70 | 143.1 | 175 | -61.2 | -177.4 | -63.6 | -179.9 | 1.5 | 109.6 | Y59 S159 D160 I161 | Y59-R157 HydrophobicContact CD1-CG 4.24Å; R157-S159 VanDerWaalsContact C-N 3.31Å; R157-S159 PolarHBondContact O-N 2.88Å; R157-D160 IonicContact CZ-OD1 2.78Å; R157-D160 IonicContact CZ-OD2 3.96Å; R157-D160 IonicContact NE-OD1 2.83Å; R157-D160 IonicContact NE-OD2 3.55Å; R157-D160 PolarHBondContact NE-OD2 3.4Å; R157-D160 IonicContact NH2-OD1 2.88Å; R157-D160 PolarHBondContact NH2-OD1 3.42Å; R157-D160 IonicContact NH2-OD2 3.86Å; R157-D160 PolarHBondContact NH2-OD2 2.84Å; R157-D160 PolarHBondContact O-N 2.88Å; R157-D160 VanDerWaalsContact O-N 3.09Å; R157-I161 PolarHBondContact O-N 3.14Å |
| 158 | N | 84.6 | Confident | 83.9 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | -174.7 | -60.3 | -15.2 | 0 | 0 | 0 | 111.8 | K155 D160 I161 E162 R172 | K155-N158 PolarHBondContact NZ-OD1 3.3Å; N158-D160 PolarHBondContact O-N 2.91Å; N158-I161 PolarHBondContact O-N 2.88Å; N158-E162 WeakPolarHBondContact O-CG 3.39Å; N158-E162 PolarHBondContact O-N 3.27Å; N158-R172 PolarHBondContact ND2-NE 3.3Å; N158-R172 PolarHBondContact ND2-NH1 3.4Å; N158-R172 VanDerWaalsContact ND2-NH1 3.16Å |
| 159 | S | 82.9 | Confident | 82.1 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -52.8 | -39.1 | 173.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | R157 I161 L163 | R157-S159 VanDerWaalsContact C-N 3.31Å; R157-S159 PolarHBondContact O-N 2.88Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.15Å; S159-L163 WeakPolarHBondContact O-CD1 3.4Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.24Å; S159-L163 PolarHBondContact O-N 2.89Å |
| 160 | D | 81.7 | Confident | 80.1 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 23% | 0.23 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -78.2 | -17.7 | -175.9 | -54.4 | -14.9 | 0 | 0 | 0 | 112.2 | R157 N158 R164 | R157-D160 IonicContact CZ-OD1 2.78Å; R157-D160 IonicContact CZ-OD2 3.96Å; R157-D160 IonicContact NE-OD1 2.83Å; R157-D160 IonicContact NE-OD2 3.55Å; R157-D160 PolarHBondContact NE-OD2 3.4Å; R157-D160 IonicContact NH2-OD1 2.88Å; R157-D160 PolarHBondContact NH2-OD1 3.42Å; R157-D160 IonicContact NH2-OD2 3.86Å; R157-D160 PolarHBondContact NH2-OD2 2.84Å; R157-D160 PolarHBondContact O-N 2.88Å; R157-D160 VanDerWaalsContact O-N 3.09Å; N158-D160 PolarHBondContact O-N 2.91Å; D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-NE 3.49Å |
| 161 | I | 81.3 | Confident | 78.4 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -87.3 | -47.9 | 174.4 | -58 | -53.3 | 0 | 0 | 0 | 110.5 | P107 F108 L156 R157 N158 S159 L163 R164 K165 E167 | P107-I161 WeakPolarHBondContact O-CD1 3.37Å; F108-I161 HydrophobicContact CD1-CB 4.37Å; F108-I161 HydrophobicContact CD1-CG1 3.81Å; F108-I161 HydrophobicContact CD1-CG2 4.47Å; F108-I161 HydrophobicContact CE1-CB 3.97Å; F108-I161 HydrophobicContact CE1-CG1 3.94Å; F108-I161 HydrophobicContact CE1-CG2 3.94Å; F108-I161 HydrophobicContact CE2-CG2 4.48Å; F108-I161 HydrophobicContact CZ-CB 4.46Å; F108-I161 HydrophobicContact CZ-CG2 3.92Å; L156-I161 HydrophobicContact CB-CD1 3.74Å; L156-I161 HydrophobicContact CB-CG1 4.17Å; L156-I161 HydrophobicContact CD1-CD1 3.52Å; L156-I161 HydrophobicContact CG-CD1 4.29Å; R157-I161 PolarHBondContact O-N 3.14Å; N158-I161 PolarHBondContact O-N 2.88Å; S159-I161 VanDerWaalsContact C-N 3.31Å; S159-I161 PolarHBondContact O-N 3.15Å; I161-L163 PolarHBondContact O-N 2.68Å; I161-R164 PolarHBondContact O-N 2.72Å; I161-K165 PolarHBondContact O-N 2.73Å; I161-E167 HydrophobicContact CG2-CB 4.03Å |
| 162 | E | 77.8 | Confident | 77 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.4 | -41.3 | 179.7 | -71.2 | 164 | -158.1 | 0 | 0 | 110.7 | N158 R164 R172 | N158-E162 WeakPolarHBondContact O-CG 3.39Å; N158-E162 PolarHBondContact O-N 3.27Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3Å; E162-R172 IonicContact OE1-NH1 3.37Å; E162-R172 PolarHBondContact OE1-NH1 2.81Å |
| 163 | L | 70.7 | Confident | 75.8 | Confident | 152 Ų | 152 | 77 Ų | 77 | 80% | 0.796 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.9 | -23.7 | 175.6 | -73.6 | 168.7 | 0 | 0 | 0 | 114.9 | S159 I161 | S159-L163 WeakPolarHBondContact O-CD1 3.4Å; S159-L163 VanDerWaalsContact O-CG 3.29Å; S159-L163 WeakPolarHBondContact O-CG 3.24Å; S159-L163 PolarHBondContact O-N 2.89Å; I161-L163 PolarHBondContact O-N 2.68Å |
| 164 | R | 70.1 | Confident | 75 | Confident | 140 Ų | 140 | 79.9 Ų | 79.9 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -104.2 | -34.1 | -172.6 | -73.9 | -169.7 | -68.2 | 163 | -4 | 114.8 | D160 I161 E162 | D160-R164 WeakPolarHBondContact O-CG 3.42Å; D160-R164 PolarHBondContact O-NE 3.49Å; I161-R164 PolarHBondContact O-N 2.72Å; E162-R164 VanDerWaalsContact C-N 3.32Å; E162-R164 PolarHBondContact O-N 3Å |
| 165 | K | 64.4 | Low | 74.7 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -133.2 | -2.4 | -164.9 | -75 | -168.1 | 174.1 | -171.5 | 0 | 115.7 | I161 E167 | I161-K165 PolarHBondContact O-N 2.73Å; K165-E167 HydrophobicContact CB-CB 4.25Å; K165-E167 PolarHBondContact O-N 2.85Å; K165-E167 VanDerWaalsContact O-N 3.07Å |
| 166 | G | 63 | Low | 74.6 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | trans | 55.3 | 27.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 167 | E | 64.8 | Low | 74.8 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 33% | 0.327 | 43% | 0.43 | S | S | . | . | trans | -81.4 | 133.8 | -167.7 | -151.7 | 151.4 | -168.8 | 0 | 0 | 110.8 | P107 I161 K165 | P107-E167 HydrophobicContact CB-CG 4.29Å; P107-E167 WeakPolarHBondContact CB-OE1 3.47Å; P107-E167 WeakPolarHBondContact CB-OE2 3.46Å; P107-E167 HydrophobicContact CG-CG 4.47Å; P107-E167 WeakPolarHBondContact CG-OE1 3.38Å; I161-E167 HydrophobicContact CG2-CB 4.03Å; K165-E167 HydrophobicContact CB-CB 4.25Å; K165-E167 PolarHBondContact O-N 2.85Å; K165-E167 VanDerWaalsContact O-N 3.07Å | ||
| 168 | T | 58.8 | Low | 75.2 | Confident | 99 Ų | 99 | 80.3 Ų | 80.3 | 61% | 0.607 | 41% | 0.411 | S | S | * | . | trans | -76.9 | 167.2 | -166.5 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | V170 G171 | T168-V170 PolarHBondContact O-N 3.07Å; T168-G171 PolarHBondContact O-N 2.62Å | ||
| 169 | D | 59.9 | Low | 75.8 | Confident | 119 Ų | 119 | 78.7 Ų | 78.7 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -50.8 | -19.5 | 179.6 | -85.1 | -37.3 | 0 | 0 | 0 | 115.8 | G171 R172 | D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 3.08Å; D169-R172 VanDerWaalsContact O-CB 3.24Å; D169-R172 WeakPolarHBondContact O-CB 3.37Å; D169-R172 PolarHBondContact O-N 2.85Å; D169-R172 VanDerWaalsContact O-N 3.14Å |
| 170 | V | 56.6 | Low | 76.6 | Confident | 114 Ų | 114 | 75.9 Ų | 75.9 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | -178.6 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | T168 R172 K173 N174 | T168-V170 PolarHBondContact O-N 3.07Å; V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 2.95Å; V170-K173 PolarHBondContact O-N 3.34Å; V170-N174 PolarHBondContact O-N 2.79Å |
| 171 | G | 62 | Low | 77.4 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.1 | -18.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F108 T168 D169 K173 N174 | F108-G171 WeakPolarHBondContact CD2-O 3.38Å; T168-G171 PolarHBondContact O-N 2.62Å; D169-G171 VanDerWaalsContact C-N 3.34Å; D169-G171 PolarHBondContact O-N 3.08Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.94Å; G171-N174 PolarHBondContact O-N 3.16Å |
| 172 | R | 67.6 | Low | 78.2 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 175.8 | -169 | 178.9 | 178.1 | 112.1 | -4.7 | 112.2 | N158 E162 D169 V170 | N158-R172 PolarHBondContact ND2-NE 3.3Å; N158-R172 PolarHBondContact ND2-NH1 3.4Å; N158-R172 VanDerWaalsContact ND2-NH1 3.16Å; E162-R172 IonicContact OE1-NH1 3.37Å; E162-R172 PolarHBondContact OE1-NH1 2.81Å; D169-R172 VanDerWaalsContact O-CB 3.24Å; D169-R172 WeakPolarHBondContact O-CB 3.37Å; D169-R172 PolarHBondContact O-N 2.85Å; D169-R172 VanDerWaalsContact O-N 3.14Å; V170-R172 VanDerWaalsContact C-N 3.28Å; V170-R172 PolarHBondContact O-N 2.95Å |
| 173 | K | 74.1 | Confident | 79.1 | Confident | 183 Ų | 183 | 68.9 Ų | 68.9 | 80% | 0.796 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -91.7 | -14.5 | 179.4 | -63.7 | -178.7 | -177.7 | 176.6 | 0 | 113.2 | V170 G171 T175 | V170-K173 PolarHBondContact O-N 3.34Å; G171-K173 VanDerWaalsContact C-N 3.32Å; G171-K173 PolarHBondContact O-N 2.94Å; K173-T175 PolarHBondContact O-N 2.88Å |
| 174 | N | 80.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -83 | 105.6 | 178.8 | -168 | -4.9 | 0 | 0 | 0 | 110.8 | V170 G171 R176 | V170-N174 PolarHBondContact O-N 2.79Å; G171-N174 PolarHBondContact O-N 3.16Å; N174-R176 PolarHBondContact OD1-N 2.91Å; N174-R176 PolarHBondContact OD1-O 2.78Å | ||
| 175 | T | 90.8 | Very high | 81.3 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.239 | 29% | 0.292 | C | S | . | . | trans | -102.6 | 6.5 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | K173 E208 C209 | K173-T175 PolarHBondContact O-N 2.88Å; T175-E208 WeakPolarHBondContact CB-OE1 3.44Å; T175-E208 PolarHBondContact OG1-OE1 2.92Å; T175-E208 PolarHBondContact OG1-OE2 3.38Å; T175-C209 VanDerWaalsContact O-CB 3.26Å; T175-C209 WeakPolarHBondContact O-CB 3.46Å; T175-C209 PolarHBondContact O-N 2.75Å | ||
| 176 | R | 93.3 | Very high | 82.4 | Confident | 122 Ų | 122 | 54 Ų | 54 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.3 | -180 | -61.7 | -174.5 | 99.6 | 178.8 | 6.4 | 111.1 | A98 N174 I207 E208 | A98-R176 HydrophobicContact CB-CB 3.78Å; A98-R176 WeakPolarHBondContact CB-O 3.39Å; N174-R176 PolarHBondContact OD1-N 2.91Å; N174-R176 PolarHBondContact OD1-O 2.78Å; R176-I207 WeakPolarHBondContact CA-O 3.5Å; R176-E208 WeakPolarHBondContact CG-OE2 3.18Å; R176-E208 IonicContact NE-OE2 3.43Å |
| 177 | V | 96.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 171.2 | -179.4 | -48.7 | 0 | 0 | 0 | 0 | 111.2 | V95 G96 Y109 I153 P206 I207 C209 | V95-V177 HydrophobicContact CG1-CB 3.56Å; V95-V177 HydrophobicContact CG1-CG1 3.82Å; V95-V177 HydrophobicContact CG1-CG2 3.8Å; G96-V177 WeakPolarHBondContact O-CA 3.25Å; Y109-V177 HydrophobicContact CD1-CG1 4.5Å; Y109-V177 HydrophobicContact CD2-CG1 3.43Å; Y109-V177 VanDerWaalsContact CD2-CG1 3.43Å; Y109-V177 HydrophobicContact CE2-CG1 3.99Å; Y109-V177 HydrophobicContact CG-CG1 3.76Å; I153-V177 HydrophobicContact CD1-CG2 3.93Å; V177-P206 CarbonylContact O-C 3.52Å; V177-P206 WeakPolarHBondContact O-CA 3.48Å; V177-I207 HydrophobicContact CG2-CB 4.21Å; V177-I207 PolarHBondContact N-O 2.81Å; V177-I207 PolarHBondContact O-N 3.03Å; V177-C209 WeakPolarHBondContact CG2-SG 3.46Å |
| 178 | R | 97.5 | Very high | 83.5 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148.3 | 165 | -69.4 | 176.2 | -173.9 | -145 | 4.7 | 109.8 | G96 A98 D100 A203 S204 | G96-R178 PolarHBondContact N-O 3.46Å; G96-R178 PolarHBondContact O-N 3.45Å; A98-R178 PolarHBondContact O-NE 3.19Å; A98-R178 PolarHBondContact O-NH2 3.03Å; A98-R178 VanDerWaalsContact O-NH2 3.14Å; D100-R178 IonicContact OD1-CZ 2.78Å; D100-R178 IonicContact OD1-NH1 3.14Å; D100-R178 PolarHBondContact OD1-NH1 3.19Å; D100-R178 IonicContact OD1-NH2 3.81Å; D100-R178 PolarHBondContact OD1-NH2 3.07Å; D100-R178 IonicContact OD2-NH2 3.37Å; D100-R178 PolarHBondContact OD2-NH2 2.77Å; R178-A203 HydrophobicContact CB-CB 4.43Å; R178-S204 WeakPolarHBondContact CD-O 3.4Å; R178-S204 WeakPolarHBondContact CG-O 3.39Å |
| 179 | L | 98.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126.5 | 160.5 | -63.3 | -179.1 | 0 | 0 | 0 | 107.5 | V68 V95 I111 F181 A203 S204 I207 | V68-L179 HydrophobicContact CB-CD1 4.27Å; V68-L179 HydrophobicContact CG1-CD1 4.26Å; V68-L179 HydrophobicContact CG2-CD1 4.25Å; V95-L179 HydrophobicContact CG2-CD2 4.35Å; I111-L179 HydrophobicContact CD1-CD2 3.91Å; L179-F181 HydrophobicContact CB-CE2 3.83Å; L179-F181 HydrophobicContact CB-CZ 3.74Å; L179-F181 HydrophobicContact CD1-CZ 4.18Å; L179-A203 WeakPolarHBondContact O-CA 3.18Å; L179-S204 PolarHBondContact N-OG 2.89Å; L179-S204 PolarHBondContact O-N 2.85Å; L179-I207 HydrophobicContact CD1-CD1 4.3Å; L179-I207 HydrophobicContact CG-CD1 3.93Å |
| 180 | V | 98.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.3 | 179.5 | -172 | 0 | 0 | 0 | 0 | 108.1 | V93 F94 I103 Q201 A203 | V93-V180 WeakPolarHBondContact CA-O 3.48Å; F94-V180 HydrophobicContact CD1-CB 4.02Å; F94-V180 HydrophobicContact CD1-CG1 4.3Å; F94-V180 HydrophobicContact CD2-CB 4.1Å; F94-V180 HydrophobicContact CD2-CG2 4.34Å; F94-V180 HydrophobicContact CE1-CB 3.68Å; F94-V180 HydrophobicContact CE1-CG1 3.49Å; F94-V180 VanDerWaalsContact CE1-CG1 3.49Å; F94-V180 HydrophobicContact CE2-CB 3.76Å; F94-V180 HydrophobicContact CE2-CG1 4.03Å; F94-V180 HydrophobicContact CE2-CG2 3.9Å; F94-V180 HydrophobicContact CG-CB 4.23Å; F94-V180 HydrophobicContact CZ-CB 3.55Å; F94-V180 HydrophobicContact CZ-CG1 3.34Å; F94-V180 HydrophobicContact CZ-CG2 4.09Å; F94-V180 PolarHBondContact N-O 2.82Å; F94-V180 PolarHBondContact O-N 2.9Å; I103-V180 HydrophobicContact CG2-CB 4.47Å; I103-V180 HydrophobicContact CG2-CG1 4.08Å; I103-V180 HydrophobicContact CG2-CG2 3.55Å; V180-Q201 VanDerWaalsContact CG1-CD 3.47Å; V180-Q201 HydrophobicContact CG1-CG 3.53Å; V180-A203 HydrophobicContact CG2-CB 4.31Å |
| 181 | F | 98.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.7 | -177.3 | -57.4 | -80.2 | 0 | 0 | 0 | 108.7 | L45 I47 V78 L91 Q92 V93 I148 L179 Q201 V202 | L45-F181 HydrophobicContact CD2-CB 4.33Å; L45-F181 WeakPolarHBondContact CD2-O 3.43Å; I47-F181 HydrophobicContact CD1-CD2 3.92Å; I47-F181 HydrophobicContact CD1-CE2 3.86Å; I47-F181 HydrophobicContact CG1-CD2 4.09Å; I47-F181 HydrophobicContact CG1-CE2 4.18Å; V78-F181 HydrophobicContact CG1-CB 4.36Å; V78-F181 HydrophobicContact CG1-CG 4.36Å; V78-F181 HydrophobicContact CG2-CD1 3.7Å; V78-F181 HydrophobicContact CG2-CD2 3.91Å; V78-F181 HydrophobicContact CG2-CE1 3.66Å; V78-F181 HydrophobicContact CG2-CE2 3.86Å; V78-F181 HydrophobicContact CG2-CG 3.83Å; V78-F181 HydrophobicContact CG2-CZ 3.73Å; L91-F181 HydrophobicContact CD1-CB 4Å; L91-F181 HydrophobicContact CD2-CD1 4.08Å; L91-F181 HydrophobicContact CG-CD1 4.4Å; Q92-F181 CarbonylContact O-C 3.58Å; Q92-F181 WeakPolarHBondContact O-CA 3.47Å; V93-F181 HydrophobicContact CB-CD1 4.37Å; V93-F181 HydrophobicContact CB-CE1 4.44Å; V93-F181 HydrophobicContact CG1-CD1 3.96Å; V93-F181 HydrophobicContact CG1-CE1 3.69Å; V93-F181 HydrophobicContact CG1-CZ 4.45Å; V93-F181 HydrophobicContact CG2-CD1 3.75Å; V93-F181 HydrophobicContact CG2-CE1 3.91Å; I148-F181 HydrophobicContact CD1-CE1 4.08Å; I148-F181 HydrophobicContact CG1-CE1 3.92Å; I148-F181 HydrophobicContact CG1-CZ 4.35Å; I148-F181 HydrophobicContact CG2-CE1 4.35Å; L179-F181 HydrophobicContact CB-CE2 3.83Å; L179-F181 HydrophobicContact CB-CZ 3.74Å; L179-F181 HydrophobicContact CD1-CZ 4.18Å; F181-Q201 CarbonylContact O-C 3.51Å; F181-Q201 VanDerWaalsContact O-CA 3.24Å; F181-Q201 WeakPolarHBondContact O-CA 3.38Å; F181-V202 HydrophobicContact CB-CG1 3.95Å; F181-V202 HydrophobicContact CD2-CG1 4.23Å; F181-V202 PolarHBondContact N-O 2.8Å; F181-V202 PolarHBondContact O-N 2.9Å |
| 182 | R | 97.7 | Very high | 83.9 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.1 | 179.7 | -175.5 | -179.5 | -74.1 | -159.8 | -7.5 | 109.9 | P30 P31 L32 W34 L36 Q92 L200 | P30-R182 PolarHBondContact O-NH1 2.87Å; P31-R182 PolarHBondContact O-NH1 3.16Å; P31-R182 PolarHBondContact O-NH2 3.46Å; P31-R182 VanDerWaalsContact O-NH2 3.12Å; L32-R182 PolarHBondContact O-NH2 2.91Å; W34-R182 PolarHBondContact O-NH2 3.17Å; L36-R182 HydrophobicContact CD1-CG 4.29Å; Q92-R182 HydrophobicContact CB-CB 4.35Å; Q92-R182 WeakPolarHBondContact CB-O 3.32Å; Q92-R182 PolarHBondContact N-O 3.09Å; Q92-R182 PolarHBondContact O-N 2.87Å; R182-L200 VanDerWaalsContact CA-O 3.3Å; R182-L200 WeakPolarHBondContact CA-O 3.37Å |
| 183 | T | 97.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.5 | 172 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | L45 L80 S90 L185 A199 L200 | L45-T183 HydrophobicContact CD1-CG2 4.24Å; L45-T183 HydrophobicContact CD2-CG2 4.21Å; L80-T183 HydrophobicContact CD1-CG2 4.3Å; L80-T183 HydrophobicContact CD2-CG2 4.4Å; S90-T183 PolarHBondContact O-OG1 2.88Å; T183-L185 HydrophobicContact CG2-CD2 4.18Å; T183-A199 WeakPolarHBondContact O-CA 3.41Å; T183-L200 HydrophobicContact CG2-CB 4.4Å; T183-L200 PolarHBondContact N-O 3.24Å; T183-L200 PolarHBondContact O-N 3.14Å |
| 184 | H | 95.2 | Very high | 83.7 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 108.1 | -175.8 | -67 | 107.1 | 0 | 0 | 0 | 107.4 | Q92 V197 L198 | Q92-H184 PolarHBondContact OE1-CE1 3.1Å; Q92-H184 VanDerWaalsContact OE1-CE1 3.28Å; H184-V197 HydrophobicContact CB-CG1 3.62Å; H184-L198 WeakPolarHBondContact CA-O 3.26Å |
| 185 | L | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.6 | -179.9 | 48.9 | 141.7 | 0 | 0 | 0 | 110.3 | F43 Y83 L89 T183 V187 V197 L198 L200 | F43-L185 HydrophobicContact CB-CD1 4.43Å; F43-L185 HydrophobicContact CD1-CD1 3.9Å; F43-L185 HydrophobicContact CD2-CD1 3.73Å; F43-L185 HydrophobicContact CE1-CD1 3.99Å; F43-L185 HydrophobicContact CE2-CD1 3.79Å; F43-L185 HydrophobicContact CG-CD1 3.77Å; F43-L185 HydrophobicContact CZ-CD1 3.92Å; Y83-L185 HydrophobicContact CE2-CB 4.42Å; L89-L185 HydrophobicContact CD1-CB 4.01Å; T183-L185 HydrophobicContact CG2-CD2 4.18Å; L185-V187 PolarHBondContact O-N 3.32Å; L185-V197 CarbonylContact O-C 3.58Å; L185-V197 VanDerWaalsContact O-CA 3.31Å; L185-V197 WeakPolarHBondContact O-CA 3.11Å; L185-L198 HydrophobicContact CD1-CB 4.03Å; L185-L198 HydrophobicContact CD1-CD2 3.62Å; L185-L198 HydrophobicContact CD1-CG 4.1Å; L185-L198 HydrophobicContact CD2-CB 4.29Å; L185-L198 HydrophobicContact CD2-CD2 4.16Å; L185-L198 HydrophobicContact CD2-CG 4Å; L185-L198 WeakPolarHBondContact CD2-O 3.41Å; L185-L198 HydrophobicContact CG-CB 3.81Å; L185-L198 HydrophobicContact CG-CD2 4.1Å; L185-L198 HydrophobicContact CG-CG 4.02Å; L185-L198 PolarHBondContact N-O 2.98Å; L185-L198 PolarHBondContact O-N 2.89Å; L185-L200 HydrophobicContact CD2-CD1 3.96Å; L185-L200 HydrophobicContact CD2-CG 4.1Å |
| 186 | P | 88.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 133.3 | 167.7 | -19.9 | 32.1 | 0 | 0 | 0 | 109.6 | ||
| 187 | V | 80.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123 | 176.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | L23 L185 V191 R196 L198 | L23-V187 HydrophobicContact CD2-CB 4.49Å; L23-V187 HydrophobicContact CD2-CG2 3.9Å; L185-V187 PolarHBondContact O-N 3.32Å; V187-V191 HydrophobicContact CG1-CB 3.58Å; V187-V191 HydrophobicContact CG1-CG1 3.72Å; V187-R196 PolarHBondContact N-O 2.78Å; V187-L198 HydrophobicContact CG2-CB 3.42Å; V187-L198 VanDerWaalsContact CG2-CB 3.42Å |
| 188 | A | 69.6 | Low | 83.1 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | trans | -94.7 | 154.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111 | V191 | A188-V191 PolarHBondContact O-N 3.45Š| ||
| 189 | P | 60.6 | Low | 83 | Confident | 86 Ų | 86 | 36.6 Ų | 36.6 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 140.5 | 169.2 | -23 | 33.7 | 0 | 0 | 0 | 110.8 | G192 | P189-G192 WeakPolarHBondContact CA-O 3.44Š|
| 190 | P | 58.1 | Low | 83 | Confident | 134 Ų | 134 | 36.6 Ų | 36.6 | 87% | 0.87 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91 | -1.4 | 15 | 35 | -36 | 0 | 0 | 0 | 115.8 | G192 | P190-G192 VanDerWaalsContact C-N 3.3Å; P190-G192 PolarHBondContact O-N 3.43Å |
| 191 | V | 63.9 | Low | 82.9 | Confident | 44 Ų | 44 | 37.2 Ų | 37.2 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -76.1 | -19.6 | -172 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | F43 V187 A188 | F43-V191 HydrophobicContact CE2-CG1 4.15Å; V187-V191 HydrophobicContact CG1-CB 3.58Å; V187-V191 HydrophobicContact CG1-CG1 3.72Å; A188-V191 PolarHBondContact O-N 3.45Å |
| 192 | G | 63.6 | Low | 82.9 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -170.8 | 169.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | P189 P190 | P189-G192 WeakPolarHBondContact CA-O 3.44Å; P190-G192 VanDerWaalsContact C-N 3.3Å; P190-G192 PolarHBondContact O-N 3.43Å |
| 193 | P | 64.9 | Low | 82.9 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | trans | -60.6 | 145.5 | 174.5 | -18.6 | 29.3 | 0 | 0 | 0 | 111.4 | R196 | P193-R196 HydrophobicContact CB-CG 4.02Å; P193-R196 HydrophobicContact CG-CG 4.22Å; P193-R196 WeakPolarHBondContact O-CB 3.36Å; P193-R196 WeakPolarHBondContact O-CG 3.37Å; P193-R196 PolarHBondContact O-N 3.39Å | ||
| 194 | P | 71.5 | Confident | 82.9 | Confident | 107 Ų | 107 | 39.5 Ų | 39.5 | 70% | 0.695 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 141.2 | 177.1 | 24.5 | -32.8 | 0 | 0 | 0 | 111.3 | R196 | P194-R196 VanDerWaalsContact C-N 3.34Š|
| 195 | G | 77.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 7.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 196 | R | 86.8 | Confident | 83.1 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 30% | 0.298 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 153.1 | 171.4 | -62.5 | -68.8 | -74.9 | -84.2 | 2.3 | 111.6 | L23 F24 V187 P193 P194 | L23-R196 PolarHBondContact O-NH2 3.04Å; F24-R196 CarbonylContact O-C 3.52Å; F24-R196 VanDerWaalsContact O-CA 3.26Å; F24-R196 WeakPolarHBondContact O-CA 3.43Å; F24-R196 WeakPolarHBondContact O-CD 3.37Å; F24-R196 PolarHBondContact O-NE 2.78Å; V187-R196 PolarHBondContact N-O 2.78Å; P193-R196 HydrophobicContact CB-CG 4.02Å; P193-R196 HydrophobicContact CG-CG 4.22Å; P193-R196 WeakPolarHBondContact O-CB 3.36Å; P193-R196 WeakPolarHBondContact O-CG 3.37Å; P193-R196 PolarHBondContact O-N 3.39Å; P194-R196 VanDerWaalsContact C-N 3.34Å |
| 197 | V | 91.7 | Very high | 83.4 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 108 | L23 F24 L29 H184 L185 | L23-V197 CarbonylContact C-O 3.56Å; L23-V197 WeakPolarHBondContact CA-O 3.36Å; F24-V197 PolarHBondContact N-O 3.49Å; F24-V197 PolarHBondContact O-N 3.47Å; L29-V197 HydrophobicContact CD2-CG1 4.4Å; H184-V197 HydrophobicContact CB-CG1 3.62Å; L185-V197 CarbonylContact O-C 3.58Å; L185-V197 VanDerWaalsContact O-CA 3.31Å; L185-V197 WeakPolarHBondContact O-CA 3.11Å |
| 198 | L | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.5 | 171.6 | 164.5 | 64.3 | 0 | 0 | 0 | 108.6 | P22 L23 F40 F43 H184 L185 V187 L200 | P22-L198 HydrophobicContact CB-CD1 3.75Å; P22-L198 HydrophobicContact CG-CD1 3.47Å; P22-L198 VanDerWaalsContact CG-CD1 3.47Å; P22-L198 WeakPolarHBondContact O-CA 3.38Å; P22-L198 WeakPolarHBondContact O-CD1 3.29Å; L23-L198 HydrophobicContact CD2-CB 3.82Å; L23-L198 HydrophobicContact CD2-CD1 4.43Å; F40-L198 HydrophobicContact CB-CD1 3.93Å; F40-L198 HydrophobicContact CB-CD2 4.07Å; F40-L198 HydrophobicContact CD1-CD1 4.06Å; F40-L198 HydrophobicContact CD1-CD2 4.02Å; F40-L198 HydrophobicContact CG-CD1 4.02Å; F40-L198 HydrophobicContact CG-CD2 4.42Å; F43-L198 HydrophobicContact CB-CD2 4.23Å; F43-L198 HydrophobicContact CD2-CD2 3.58Å; F43-L198 HydrophobicContact CE2-CD2 4.29Å; F43-L198 HydrophobicContact CG-CD2 4.23Å; H184-L198 WeakPolarHBondContact CA-O 3.26Å; L185-L198 HydrophobicContact CD1-CB 4.03Å; L185-L198 HydrophobicContact CD1-CD2 3.62Å; L185-L198 HydrophobicContact CD1-CG 4.1Å; L185-L198 HydrophobicContact CD2-CB 4.29Å; L185-L198 HydrophobicContact CD2-CD2 4.16Å; L185-L198 HydrophobicContact CD2-CG 4Å; L185-L198 WeakPolarHBondContact CD2-O 3.41Å; L185-L198 HydrophobicContact CG-CB 3.81Å; L185-L198 HydrophobicContact CG-CD2 4.1Å; L185-L198 HydrophobicContact CG-CG 4.02Å; L185-L198 PolarHBondContact N-O 2.98Å; L185-L198 PolarHBondContact O-N 2.89Å; V187-L198 HydrophobicContact CG2-CB 3.42Å; V187-L198 VanDerWaalsContact CG2-CB 3.42Å; L198-L200 HydrophobicContact CD1-CD2 4.04Å; L198-L200 HydrophobicContact CD1-CG 4.49Å; L198-L200 HydrophobicContact CD2-CD2 4.33Å; L198-L200 HydrophobicContact CD2-CG 4.39Å; L198-L200 HydrophobicContact CG-CD2 4.21Å; L198-L200 HydrophobicContact CG-CG 4.19Å |
| 199 | A | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P22 F24 P30 L36 T183 | P22-A199 PolarHBondContact O-N 3.06Å; F24-A199 HydrophobicContact CD2-CB 3.76Å; F24-A199 HydrophobicContact CE2-CB 3.67Å; P30-A199 HydrophobicContact CG-CB 3.88Å; L36-A199 HydrophobicContact CD1-CB 3.7Å; L36-A199 HydrophobicContact CD2-CB 4.22Å; T183-A199 WeakPolarHBondContact O-CA 3.41Å |
| 200 | L | 97.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.9 | 174.7 | -62.5 | 178.5 | 0 | 0 | 0 | 110.1 | P37 F40 F43 L45 L80 R182 T183 L185 L198 | P37-L200 HydrophobicContact CG-CD2 4.36Å; P37-L200 CarbonylContact O-C 3.57Å; P37-L200 VanDerWaalsContact O-CA 3.3Å; P37-L200 WeakPolarHBondContact O-CA 3.35Å; F40-L200 HydrophobicContact CB-CD2 3.93Å; F43-L200 HydrophobicContact CB-CD1 3.82Å; L45-L200 HydrophobicContact CB-CB 3.96Å; L45-L200 HydrophobicContact CB-CD1 4.32Å; L45-L200 HydrophobicContact CD2-CB 4.45Å; L80-L200 HydrophobicContact CD1-CD1 3.98Å; R182-L200 VanDerWaalsContact CA-O 3.3Å; R182-L200 WeakPolarHBondContact CA-O 3.37Å; T183-L200 HydrophobicContact CG2-CB 4.4Å; T183-L200 PolarHBondContact N-O 3.24Å; T183-L200 PolarHBondContact O-N 3.14Å; L185-L200 HydrophobicContact CD2-CD1 3.96Å; L185-L200 HydrophobicContact CD2-CG 4.1Å; L198-L200 HydrophobicContact CD1-CD2 4.04Å; L198-L200 HydrophobicContact CD1-CG 4.49Å; L198-L200 HydrophobicContact CD2-CD2 4.33Å; L198-L200 HydrophobicContact CD2-CG 4.39Å; L198-L200 HydrophobicContact CG-CD2 4.21Å; L198-L200 HydrophobicContact CG-CG 4.19Å |
| 201 | Q | 97.3 | Very high | 87.8 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.8 | 178.1 | -173.8 | 172.8 | -81.3 | 0 | 0 | 112 | L36 P37 S38 V180 F181 | L36-Q201 HydrophobicContact CB-CB 3.63Å; L36-Q201 HydrophobicContact CD1-CB 4.31Å; P37-Q201 CarbonylContact C-O 3.6Å; P37-Q201 PolarHBondContact O-N 2.78Å; S38-Q201 WeakPolarHBondContact CA-O 3.4Å; S38-Q201 WeakPolarHBondContact CB-O 3.37Å; S38-Q201 PolarHBondContact N-O 3.3Å; V180-Q201 VanDerWaalsContact CG1-CD 3.47Å; V180-Q201 HydrophobicContact CG1-CG 3.53Å; F181-Q201 CarbonylContact O-C 3.51Å; F181-Q201 VanDerWaalsContact O-CA 3.24Å; F181-Q201 WeakPolarHBondContact O-CA 3.38Å |
| 202 | V | 97.4 | Very high | 88 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.2 | 170.4 | 66.4 | 0 | 0 | 0 | 0 | 109.5 | L45 I47 F181 | L45-V202 HydrophobicContact CD2-CG1 3.95Å; L45-V202 HydrophobicContact CG-CG1 3.83Å; I47-V202 HydrophobicContact CD1-CG1 4.2Å; I47-V202 HydrophobicContact CD1-CG2 3.97Å; I47-V202 HydrophobicContact CG1-CG1 3.78Å; I47-V202 HydrophobicContact CG1-CG2 3.98Å; F181-V202 HydrophobicContact CB-CG1 3.95Å; F181-V202 HydrophobicContact CD2-CG1 4.23Å; F181-V202 PolarHBondContact N-O 2.8Å; F181-V202 PolarHBondContact O-N 2.9Å |
| 203 | A | 97.7 | Very high | 87.8 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I103 R178 L179 V180 | I103-A203 HydrophobicContact CD1-CB 4Å; I103-A203 HydrophobicContact CG1-CB 4.24Å; R178-A203 HydrophobicContact CB-CB 4.43Å; L179-A203 WeakPolarHBondContact O-CA 3.18Å; V180-A203 HydrophobicContact CG2-CB 4.31Å |
| 204 | S | 97.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 172.5 | 176.9 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | I47 R178 L179 | I47-S204 VanDerWaalsContact CD1-CA 3.45Å; R178-S204 WeakPolarHBondContact CD-O 3.4Å; R178-S204 WeakPolarHBondContact CG-O 3.39Å; L179-S204 PolarHBondContact N-OG 2.89Å; L179-S204 PolarHBondContact O-N 2.85Å |
| 205 | L | 95.4 | Very high | 86.4 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 53% | 0.534 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -59.4 | 152.8 | 159.2 | -64.2 | 178.6 | 0 | 0 | 0 | 110.8 | Q50 | Q50-L205 HydrophobicContact CB-CD1 4.36Å; Q50-L205 HydrophobicContact CG-CD1 4.1Å; Q50-L205 HydrophobicContact CG-CG 4.23Å; Q50-L205 VanDerWaalsContact OE1-N 3.07Å |
| 206 | P | 95.3 | Very high | 86.2 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 20% | 0.195 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 138.2 | 176.5 | -25.4 | 34.1 | 0 | 0 | 0 | 113.4 | A98 V177 | A98-P206 HydrophobicContact CB-CB 4.27Å; V177-P206 CarbonylContact O-C 3.52Å; V177-P206 WeakPolarHBondContact O-CA 3.48Å |
| 207 | I | 95.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.4 | 176.8 | -52.7 | 173.8 | 0 | 0 | 0 | 108.3 | P51 H55 V68 I153 R176 V177 L179 | P51-I207 HydrophobicContact CB-CD1 3.79Å; P51-I207 HydrophobicContact CB-CG1 4.26Å; P51-I207 HydrophobicContact CG-CD1 3.71Å; P51-I207 HydrophobicContact CG-CG1 3.98Å; H55-I207 HydrophobicContact CB-CG2 3.77Å; V68-I207 HydrophobicContact CG1-CD1 4.11Å; I153-I207 HydrophobicContact CD1-CD1 4.38Å; I153-I207 HydrophobicContact CD1-CG2 4.44Å; R176-I207 WeakPolarHBondContact CA-O 3.5Å; V177-I207 HydrophobicContact CG2-CB 4.21Å; V177-I207 PolarHBondContact N-O 2.81Å; V177-I207 PolarHBondContact O-N 3.03Å; L179-I207 HydrophobicContact CD1-CD1 4.3Å; L179-I207 HydrophobicContact CG-CD1 3.93Å |
| 208 | E | 94.1 | Very high | 86.3 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.7 | 170.6 | -179.6 | 52.8 | -120.8 | 0 | 0 | 110.1 | P53 H54 H55 T175 R176 S210 | P53-E208 WeakPolarHBondContact O-CB 3.44Å; P53-E208 PolarHBondContact O-N 3.01Å; H54-E208 WeakPolarHBondContact CA-O 3.48Å; H54-E208 HydrophobicContact CB-CB 4.49Å; H54-E208 PolarHBondContact ND1-O 2.67Å; H55-E208 PolarHBondContact N-O 3.12Å; T175-E208 WeakPolarHBondContact CB-OE1 3.44Å; T175-E208 PolarHBondContact OG1-OE1 2.92Å; T175-E208 PolarHBondContact OG1-OE2 3.38Å; R176-E208 WeakPolarHBondContact CG-OE2 3.18Å; R176-E208 IonicContact NE-OE2 3.43Å; E208-S210 WeakPolarHBondContact OE1-CB 3.45Å; E208-S210 PolarHBondContact OE1-N 3.44Å; E208-S210 VanDerWaalsContact OE1-N 3.11Å; E208-S210 PolarHBondContact OE1-OG 2.84Å |
| 209 | C | 94.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | trans | -99.3 | -11.7 | -173.5 | -69.4 | 0 | 0 | 0 | 0 | 115 | H55 A57 Y109 T175 V177 | H55-C209 VanDerWaalsContact O-CA 3.29Å; H55-C209 WeakPolarHBondContact O-CA 3.21Å; A57-C209 HydrophobicContact CB-CB 4.06Å; A57-C209 PolarHBondContact N-O 2.99Å; A57-C209 VanDerWaalsContact N-O 3.12Å; Y109-C209 HydrophobicContact CD1-CB 4.26Å; Y109-C209 HydrophobicContact CE1-CB 3.54Å; T175-C209 VanDerWaalsContact O-CB 3.26Å; T175-C209 WeakPolarHBondContact O-CB 3.46Å; T175-C209 PolarHBondContact O-N 2.75Å; V177-C209 WeakPolarHBondContact CG2-SG 3.46Å | ||
| 210 | S | 89.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 49 Ų | 49 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -58.6 | 158.7 | 179.2 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | H54 E208 R212 | H54-S210 PolarHBondContact CE1-O 3.18Å; E208-S210 WeakPolarHBondContact OE1-CB 3.45Å; E208-S210 PolarHBondContact OE1-N 3.44Å; E208-S210 VanDerWaalsContact OE1-N 3.11Å; E208-S210 PolarHBondContact OE1-OG 2.84Å; S210-R212 PolarHBondContact O-N 2.92Å; S210-R212 VanDerWaalsContact O-N 3.09Å |
| 211 | Q | 81.8 | Confident | 86.3 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | trans | -65.3 | 112.3 | 161 | 174.4 | 169.3 | -10 | 0 | 0 | 106.9 | R56 S213 | R56-Q211 VanDerWaalsContact CZ-CD 3.43Å; Q211-S213 PolarHBondContact O-N 3.31Å; Q211-S213 VanDerWaalsContact O-N 3.08Å | ||
| 212 | R | 68.1 | Low | 86.3 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | trans | -51.7 | 123.2 | 160.5 | -89.2 | 170.4 | -162.8 | -81.7 | 3.2 | 106.3 | H54 S210 A214 | H54-R212 VanDerWaalsContact CB-NH2 3.33Å; H54-R212 PolarHBondContact CD2-NE 2.61Å; H54-R212 WeakPolarHBondContact CE1-CG 3.42Å; H54-R212 PolarHBondContact CE1-NE 3.11Å; H54-R212 PolarHBondContact ND1-NE 2.6Å; H54-R212 VanDerWaalsContact ND1-NE 3.19Å; H54-R212 WeakPolarHBondContact NE2-CD 3.44Å; H54-R212 PolarHBondContact NE2-NE 3.06Å; S210-R212 PolarHBondContact O-N 2.92Å; S210-R212 VanDerWaalsContact O-N 3.09Å; R212-A214 PolarHBondContact O-N 3.41Å; R212-A214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | S | 59.6 | Low | 86.3 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | trans | -45.8 | 126.5 | 156.7 | 46.7 | 0 | 0 | 0 | 0 | 105 | Q211 Q215 | Q211-S213 PolarHBondContact O-N 3.31Å; Q211-S213 VanDerWaalsContact O-N 3.08Å; S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 CarbonylContact O-C 3.56Å; S213-Q215 PolarHBondContact O-N 2.92Å | ||
| 214 | A | 50.2 | Low | 86.2 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -56.5 | 103.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | R212 K309 | R212-A214 PolarHBondContact O-N 3.41Å; R212-A214 VanDerWaalsContact O-N 3.1Å; A214-K309 VanDerWaalsContact O-CD 3.27Å; A214-K309 WeakPolarHBondContact O-CD 3.48Å; A214-K309 WeakPolarHBondContact O-CE 3.49Å; A214-K309 PolarHBondContact O-NZ 3.29Å |
| 215 | Q | 58.3 | Low | 86.1 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 54.5 | 127.9 | -167.1 | -73.2 | 146.8 | -20.8 | 0 | 0 | 115.7 | S213 L217 L244 K309 | S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 CarbonylContact O-C 3.56Å; S213-Q215 PolarHBondContact O-N 2.92Å; Q215-L217 PolarHBondContact O-N 2.58Å; Q215-L244 VanDerWaalsContact CD-CD1 3.43Å; Q215-L244 HydrophobicContact CG-CD1 4.3Å; Q215-K309 HydrophobicContact CB-CD 4.09Å |
| 216 | E | 72.9 | Confident | 86.1 | Confident | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 138.8 | 156.7 | -69.7 | 172.7 | -161.7 | 0 | 0 | 108.5 | N242 | E216-N242 HydrophobicContact CB-CB 4.41Å; E216-N242 WeakPolarHBondContact CB-ND2 3.33Å; E216-N242 PolarHBondContact OE2-ND2 2.9Å |
| 217 | L | 88.4 | Confident | 86.1 | Confident | 94 Ų | 94 | 61.8 Ų | 61.8 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 144.3 | -178.8 | -64.2 | 175.3 | 0 | 0 | 0 | 108.9 | Q215 V219 K309 | Q215-L217 PolarHBondContact O-N 2.58Å; L217-V219 PolarHBondContact O-N 2.93Å; L217-K309 HydrophobicContact CD2-CB 3.83Å; L217-K309 HydrophobicContact CD2-CG 4.26Å |
| 218 | P | 92.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 139.4 | 173.2 | 26.4 | -31.4 | 0 | 0 | 0 | 108.9 | F243 V303 N305 S311 | P218-F243 HydrophobicContact CB-CD1 3.99Å; P218-F243 HydrophobicContact CB-CE1 4.14Å; P218-V303 HydrophobicContact CB-CB 4Å; P218-V303 HydrophobicContact CB-CG1 3.63Å; P218-V303 HydrophobicContact CG-CB 4.19Å; P218-V303 HydrophobicContact CG-CG1 3.95Å; P218-V303 WeakPolarHBondContact CG-O 3.22Å; P218-N305 HydrophobicContact CG-CB 4.42Å; P218-S311 WeakPolarHBondContact O-CA 3.22Å; P218-S311 WeakPolarHBondContact O-CB 3.33Å |
| 219 | V | 94.3 | Very high | 86.2 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 108 | L217 E221 G240 T241 F243 | L217-V219 PolarHBondContact O-N 2.93Å; V219-E221 HydrophobicContact CG1-CG 4.43Å; V219-G240 WeakPolarHBondContact O-CA 3.09Å; V219-T241 PolarHBondContact N-O 3.33Å; V219-T241 PolarHBondContact O-N 3.27Å; V219-F243 WeakPolarHBondContact O-CE1 3.18Å; V219-F243 WeakPolarHBondContact O-CZ 3.29Å |
| 220 | I | 96.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.7 | 172 | -57.4 | 168.8 | 0 | 0 | 0 | 107.1 | V223 L238 V303 H314 | I220-V223 HydrophobicContact CG2-CG2 3.74Å; I220-L238 HydrophobicContact CG2-CD2 4.46Å; I220-V303 HydrophobicContact CD1-CB 4.4Å; I220-V303 HydrophobicContact CD1-CG2 3.73Å; I220-V303 HydrophobicContact CG1-CB 4.35Å; I220-V303 HydrophobicContact CG1-CG2 3.68Å; I220-H314 WeakPolarHBondContact CB-NE2 3.45Å; I220-H314 PolarHBondContact O-NE2 3.4Å |
| 221 | E | 95.1 | Very high | 86.6 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.603 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -38.2 | 178.9 | -67.7 | 176.5 | 172.8 | 0 | 0 | 111.7 | V219 S239 | V219-E221 HydrophobicContact CG1-CG 4.43Å; E221-S239 PolarHBondContact N-O 3.02Å |
| 222 | S | 95.9 | Very high | 87.2 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.7 | 176.3 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | S239 | S222-S239 PolarHBondContact N-O 2.7Å; S222-S239 VanDerWaalsContact N-O 3.14Å; S222-S239 PolarHBondContact O-N 3.09Å; S222-S239 WeakPolarHBondContact OG-CB 3.41Å |
| 223 | V | 97.3 | Very high | 88.5 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122 | -176 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | I220 V225 L236 L238 L301 H314 | I220-V223 HydrophobicContact CG2-CG2 3.74Å; V223-V225 VanDerWaalsContact CG1-O 3.25Å; V223-V225 WeakPolarHBondContact CG1-O 3.14Å; V223-V225 PolarHBondContact O-N 3.09Å; V223-L236 HydrophobicContact CG1-CD1 3.59Å; V223-L238 HydrophobicContact CB-CD2 4.18Å; V223-L238 HydrophobicContact CG1-CD2 3.83Å; V223-L238 HydrophobicContact CG2-CD2 3.86Å; V223-L301 HydrophobicContact CG1-CD2 4.1Å; V223-H314 HydrophobicContact CG2-CB 4.42Å |
| 224 | S | 96.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -68.9 | -33.1 | -173.9 | 63.2 | 0 | 0 | 0 | 0 | 114.1 | L237 | S224-L237 PolarHBondContact N-O 3.12Å; S224-L237 PolarHBondContact OG-N 3.45Å |
| 225 | V | 94.9 | Very high | 92.4 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.255 | 32% | 0.324 | S | S | . | . | trans | -135.6 | 132.1 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | V223 S227 L236 F316 | V223-V225 VanDerWaalsContact CG1-O 3.25Å; V223-V225 WeakPolarHBondContact CG1-O 3.14Å; V223-V225 PolarHBondContact O-N 3.09Å; V225-S227 WeakPolarHBondContact CG1-O 3.42Å; V225-L236 HydrophobicContact CB-CD1 4.14Å; V225-L236 VanDerWaalsContact O-CD1 3.29Å; V225-L236 WeakPolarHBondContact O-CD1 3.19Å; V225-F316 WeakPolarHBondContact O-CE2 3.15Å | ||
| 226 | T | 95.3 | Very high | 94.3 | Very high | 85 Ų | 85 | 54 Ų | 54 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -108.3 | 0.1 | -178.3 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | F316 K317 | T226-F316 CarbonylContact O-C 3.43Å; T226-F316 WeakPolarHBondContact O-CA 3.04Å; T226-K317 PolarHBondContact O-N 2.88Å |
| 227 | S | 95.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 51.7 Ų | 51.7 | 32% | 0.322 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 146.8 | 176 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V225 K317 | V225-S227 WeakPolarHBondContact CG1-O 3.42Å; S227-K317 CarbonylContact C-O 3.54Å; S227-K317 WeakPolarHBondContact CA-O 3.33Å; S227-K317 VanDerWaalsContact CB-O 3.29Å; S227-K317 WeakPolarHBondContact CB-O 3.44Å |
| 228 | C | 95.9 | Very high | 96 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 174.4 | 174.1 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | E234 V285 F316 K317 Y318 L319 | C228-E234 HydrophobicContact CB-CB 4.34Å; C228-E234 HydrophobicContact CB-CG 4.11Å; C228-E234 VanDerWaalsContact CB-OE1 3.29Å; C228-E234 WeakPolarHBondContact CB-OE1 3.48Å; C228-V285 VanDerWaalsContact SG-CG1 3.57Å; C228-F316 HydrophobicContact CB-CE1 4.37Å; C228-F316 HydrophobicContact CB-CZ 3.91Å; C228-F316 VanDerWaalsContact SG-CE1 3.53Å; C228-F316 VanDerWaalsContact SG-CZ 3.52Å; C228-K317 PolarHBondContact N-O 3.1Å; C228-Y318 CarbonylContact O-C 3.51Å; C228-Y318 WeakPolarHBondContact O-CA 3.45Å; C228-Y318 WeakPolarHBondContact SG-CE1 2.87Å; C228-L319 PolarHBondContact O-N 2.58Å |
| 229 | S | 95.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 147.7 | 167.9 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | E231 G232 Y318 L319 | S229-E231 PolarHBondContact O-N 2.76Å; S229-E231 VanDerWaalsContact O-N 3.09Å; S229-E231 PolarHBondContact OG-N 2.83Å; S229-G232 PolarHBondContact O-N 2.86Å; S229-Y318 WeakPolarHBondContact O-CD1 3.18Å; S229-L319 CarbonylContact C-O 3.59Å |
| 230 | V | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -23.9 | 170.8 | -71.9 | 0 | 0 | 0 | 0 | 113.3 | G232 Y288 L291 V293 L319 V321 | V230-G232 PolarHBondContact O-N 3.37Å; V230-Y288 HydrophobicContact CG1-CD1 4.42Å; V230-Y288 PolarHBondContact O-N 2.9Å; V230-L291 HydrophobicContact CB-CD2 4.12Å; V230-L291 HydrophobicContact CG2-CD2 4.31Å; V230-L291 WeakPolarHBondContact O-CD2 3.29Å; V230-V293 HydrophobicContact CG1-CG2 3.42Å; V230-V293 VanDerWaalsContact CG1-CG2 3.42Å; V230-L319 VanDerWaalsContact CG1-O 3.29Å; V230-L319 WeakPolarHBondContact CG1-O 3.49Å; V230-L319 PolarHBondContact N-O 3.38Å; V230-V321 HydrophobicContact CG2-CG2 3.56Å |
| 231 | E | 96.1 | Very high | 96 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.1 | 174.7 | -62.3 | -179.4 | 142.3 | 0 | 0 | 113.1 | S229 A287 V321 | S229-E231 PolarHBondContact O-N 2.76Å; S229-E231 VanDerWaalsContact O-N 3.09Å; S229-E231 PolarHBondContact OG-N 2.83Å; E231-A287 WeakPolarHBondContact O-CB 3.13Å; E231-V321 HydrophobicContact CG-CG2 4.24Å |
| 232 | G | 95.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | trans | 64.4 | -144.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S229 V230 E234 | S229-G232 PolarHBondContact O-N 2.86Å; V230-G232 PolarHBondContact O-N 3.37Å; G232-E234 PolarHBondContact O-N 2.92Å | ||
| 233 | G | 94.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | trans | 82.8 | -12.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R284 V285 | G233-R284 WeakPolarHBondContact O-CG 3.35Å; G233-R284 PolarHBondContact O-NH1 2.92Å; G233-V285 PolarHBondContact N-O 3.21Å | ||
| 234 | E | 95.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 42 Ų | 42 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | trans | -66.8 | 149.7 | 174.4 | -68.9 | -177.7 | -149.5 | 0 | 0 | 111.9 | C228 G232 R284 V285 | C228-E234 HydrophobicContact CB-CB 4.34Å; C228-E234 HydrophobicContact CB-CG 4.11Å; C228-E234 VanDerWaalsContact CB-OE1 3.29Å; C228-E234 WeakPolarHBondContact CB-OE1 3.48Å; G232-E234 PolarHBondContact O-N 2.92Å; E234-R284 WeakPolarHBondContact O-CA 3.4Å; E234-V285 WeakPolarHBondContact O-CG2 3.29Å; E234-V285 PolarHBondContact O-N 3.09Å | ||
| 235 | E | 97.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.5 | 173.2 | -173.5 | 179.9 | 95 | 0 | 0 | 110.1 | ||
| 236 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124 | -179.4 | 175.3 | 63.7 | 0 | 0 | 0 | 109.7 | V223 V225 L238 F251 V283 V285 L301 | V223-L236 HydrophobicContact CG1-CD1 3.59Å; V225-L236 HydrophobicContact CB-CD1 4.14Å; V225-L236 VanDerWaalsContact O-CD1 3.29Å; V225-L236 WeakPolarHBondContact O-CD1 3.19Å; L236-L238 HydrophobicContact CD1-CD2 4.34Å; L236-L238 HydrophobicContact CD2-CD2 4.16Å; L236-L238 HydrophobicContact CG-CD2 4.07Å; L236-L238 HydrophobicContact CG-CG 4.47Å; L236-F251 HydrophobicContact CD2-CZ 3.76Å; L236-V283 HydrophobicContact CB-CG2 3.76Å; L236-V283 HydrophobicContact CD2-CG2 4Å; L236-V283 HydrophobicContact CG-CG2 4.07Å; L236-V283 PolarHBondContact N-O 3.29Å; L236-V283 PolarHBondContact O-N 2.89Å; L236-V285 HydrophobicContact CB-CG2 3.74Å; L236-V285 HydrophobicContact CD2-CG2 4.11Å; L236-L301 HydrophobicContact CD2-CD2 3.97Å |
| 237 | L | 98.1 | Very high | 94.8 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.3 | 174.9 | -56.5 | 178.5 | 0 | 0 | 0 | 109.6 | S224 L280 L281 C282 | S224-L237 PolarHBondContact N-O 3.12Å; S224-L237 PolarHBondContact OG-N 3.45Å; L237-L280 HydrophobicContact CB-CD1 4.32Å; L237-L281 WeakPolarHBondContact CA-O 2.89Å; L237-C282 HydrophobicContact CD2-CB 3.86Å |
| 238 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114.2 | 172.2 | -54.6 | 179 | 0 | 0 | 0 | 109 | I220 V223 L236 F243 V249 L280 L281 L301 V303 | I220-L238 HydrophobicContact CG2-CD2 4.46Å; V223-L238 HydrophobicContact CB-CD2 4.18Å; V223-L238 HydrophobicContact CG1-CD2 3.83Å; V223-L238 HydrophobicContact CG2-CD2 3.86Å; L236-L238 HydrophobicContact CD1-CD2 4.34Å; L236-L238 HydrophobicContact CD2-CD2 4.16Å; L236-L238 HydrophobicContact CG-CD2 4.07Å; L236-L238 HydrophobicContact CG-CG 4.47Å; L238-F243 WeakPolarHBondContact O-CE2 3.25Å; L238-V249 HydrophobicContact CD1-CB 4.44Å; L238-V249 HydrophobicContact CD1-CG1 3.72Å; L238-V249 HydrophobicContact CD1-CG2 3.81Å; L238-L280 CarbonylContact O-C 3.57Å; L238-L280 WeakPolarHBondContact O-CA 3.26Å; L238-L281 HydrophobicContact CB-CB 4.32Å; L238-L281 PolarHBondContact N-O 3.27Å; L238-L281 PolarHBondContact O-N 3.09Å; L238-L301 HydrophobicContact CD2-CD2 3.91Å; L238-V303 HydrophobicContact CD1-CG2 3.85Å |
| 239 | S | 97.4 | Very high | 95 | Very high | 40 Ų | 40 | 46 Ų | 46 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.1 | 172.2 | -50.5 | 0 | 0 | 0 | 0 | 110 | E221 S222 C279 L280 | E221-S239 PolarHBondContact N-O 3.02Å; S222-S239 PolarHBondContact N-O 2.7Å; S222-S239 VanDerWaalsContact N-O 3.14Å; S222-S239 PolarHBondContact O-N 3.09Å; S222-S239 WeakPolarHBondContact OG-CB 3.41Å; S239-C279 CarbonylContact C-O 3.54Å; S239-C279 WeakPolarHBondContact CA-O 3.38Å; S239-L280 WeakPolarHBondContact OG-CD1 3.5Å |
| 240 | G | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -151.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V219 C279 | V219-G240 WeakPolarHBondContact O-CA 3.09Å; G240-C279 PolarHBondContact N-O 3.08Å; G240-C279 WeakPolarHBondContact O-CA 3.48Å; G240-C279 WeakPolarHBondContact O-CB 3.36Å |
| 241 | T | 91.8 | Very high | 95.1 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 158.4 | -177.5 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | V219 F243 | V219-T241 PolarHBondContact N-O 3.33Å; V219-T241 PolarHBondContact O-N 3.27Å; T241-F243 VanDerWaalsContact C-N 3.28Å; T241-F243 PolarHBondContact O-N 2.95Å |
| 242 | N | 90.6 | Very high | 95.1 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | trans | 61.3 | 33.1 | 178.5 | -64.2 | -54.2 | 0 | 0 | 0 | 113.5 | E216 N305 | E216-N242 HydrophobicContact CB-CB 4.41Å; E216-N242 WeakPolarHBondContact CB-ND2 3.33Å; E216-N242 PolarHBondContact OE2-ND2 2.9Å; N242-N305 PolarHBondContact O-ND2 2.89Å | ||
| 243 | F | 93.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | trans | -77.5 | 145.6 | 165.1 | -53.9 | -31.4 | 0 | 0 | 0 | 109.8 | P218 V219 L238 T241 E278 L281 V303 | P218-F243 HydrophobicContact CB-CD1 3.99Å; P218-F243 HydrophobicContact CB-CE1 4.14Å; V219-F243 WeakPolarHBondContact O-CE1 3.18Å; V219-F243 WeakPolarHBondContact O-CZ 3.29Å; L238-F243 WeakPolarHBondContact O-CE2 3.25Å; T241-F243 VanDerWaalsContact C-N 3.28Å; T241-F243 PolarHBondContact O-N 2.95Å; F243-E278 WeakPolarHBondContact CB-O 3.29Å; F243-E278 PolarHBondContact N-O 3.24Å; F243-E278 VanDerWaalsContact N-O 3.08Å; F243-E278 WeakPolarHBondContact O-CA 3.24Å; F243-L281 HydrophobicContact CB-CD1 4.39Å; F243-L281 HydrophobicContact CB-CD2 4.27Å; F243-L281 HydrophobicContact CB-CG 4.23Å; F243-L281 HydrophobicContact CD1-CD1 4.04Å; F243-L281 HydrophobicContact CD2-CD1 4.06Å; F243-L281 HydrophobicContact CD2-CD2 4.49Å; F243-L281 HydrophobicContact CD2-CG 3.67Å; F243-L281 HydrophobicContact CE1-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CG 4.12Å; F243-L281 HydrophobicContact CG-CD1 3.9Å; F243-L281 HydrophobicContact CG-CD2 4.48Å; F243-L281 HydrophobicContact CG-CG 3.89Å; F243-L281 HydrophobicContact CZ-CD1 4.47Å; F243-V303 HydrophobicContact CD1-CG1 3.86Å; F243-V303 HydrophobicContact CE1-CB 4.19Å; F243-V303 HydrophobicContact CE1-CG1 3.98Å; F243-V303 HydrophobicContact CE1-CG2 3.89Å; F243-V303 HydrophobicContact CZ-CG2 4.38Å | ||
| 244 | L | 90.9 | Very high | 94.5 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | trans | -120 | 159.2 | -176.8 | -58.6 | 173.8 | 0 | 0 | 0 | 109.1 | Q215 I246 S247 N305 | Q215-L244 VanDerWaalsContact CD-CD1 3.43Å; Q215-L244 HydrophobicContact CG-CD1 4.3Å; L244-I246 HydrophobicContact CB-CG1 4.03Å; L244-I246 HydrophobicContact CD1-CG1 4.26Å; L244-I246 PolarHBondContact O-N 3.43Å; L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.41Å; L244-S247 PolarHBondContact O-N 3.48Å; L244-S247 PolarHBondContact O-OG 3.42Å; L244-N305 HydrophobicContact CD1-CB 3.73Å | ||
| 245 | P | 89.4 | Confident | 93.6 | Very high | 108 Ų | 108 | 42.7 Ų | 42.7 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.4 | 171.2 | -26.9 | 35.5 | 0 | 0 | 0 | 114.5 | R273 | P245-R273 PolarHBondContact O-NH1 3.23Š|
| 246 | I | 90 | Very high | 91.9 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 59% | 0.585 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 5.8 | 177.7 | 63.4 | 164.2 | 0 | 0 | 0 | 113.7 | L244 | L244-I246 HydrophobicContact CB-CG1 4.03Å; L244-I246 HydrophobicContact CD1-CG1 4.26Å; L244-I246 PolarHBondContact O-N 3.43Å |
| 247 | S | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -58.6 | 141.4 | 178.1 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | L244 R273 S304 N305 | L244-S247 PolarHBondContact N-OG 2.9Å; L244-S247 WeakPolarHBondContact O-CB 3.41Å; L244-S247 PolarHBondContact O-N 3.48Å; L244-S247 PolarHBondContact O-OG 3.42Å; S247-R273 PolarHBondContact O-NH1 2.92Å; S247-R273 PolarHBondContact O-NH2 3.42Å; S247-S304 WeakPolarHBondContact CA-O 3.5Å; S247-N305 PolarHBondContact OG-OD1 3.48Å | ||
| 248 | R | 97.1 | Very high | 87.3 | Confident | 104 Ų | 104 | 49.2 Ų | 49.2 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.9 | 176.9 | -57.1 | 175.3 | 66.4 | -159.7 | -2 | 108.5 | L250 E268 V303 S304 | R248-L250 HydrophobicContact CB-CD1 4.02Å; R248-E268 WeakPolarHBondContact CB-OE1 3.49Å; R248-E268 WeakPolarHBondContact CG-OE1 3.1Å; R248-E268 IonicContact CZ-OE1 3.01Å; R248-E268 IonicContact CZ-OE2 2.85Å; R248-E268 IonicContact NE-OE1 3.24Å; R248-E268 PolarHBondContact NE-OE1 3.02Å; R248-E268 IonicContact NE-OE2 3.5Å; R248-E268 PolarHBondContact NE-OE2 2.99Å; R248-E268 IonicContact NH2-OE2 3.71Å; R248-E268 PolarHBondContact NH2-OE2 2.95Å; R248-V303 CarbonylContact O-C 3.51Å; R248-V303 WeakPolarHBondContact O-CA 3.39Å; R248-S304 PolarHBondContact N-O 3.5Å; R248-S304 PolarHBondContact O-N 2.96Å |
| 249 | V | 97.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.8 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | L238 F251 E268 A269 V271 L281 V283 L301 V303 | L238-V249 HydrophobicContact CD1-CB 4.44Å; L238-V249 HydrophobicContact CD1-CG1 3.72Å; L238-V249 HydrophobicContact CD1-CG2 3.81Å; V249-F251 HydrophobicContact CG1-CE2 4.28Å; V249-E268 WeakPolarHBondContact O-CA 3.37Å; V249-A269 HydrophobicContact CB-CB 4.17Å; V249-A269 HydrophobicContact CG1-CB 4.28Å; V249-A269 PolarHBondContact O-N 3.28Å; V249-V271 HydrophobicContact CG2-CG2 4.4Å; V249-L281 HydrophobicContact CG2-CD1 3.77Å; V249-V283 HydrophobicContact CB-CG1 4.11Å; V249-V283 HydrophobicContact CG1-CG2 4.36Å; V249-V283 HydrophobicContact CG2-CG1 3.65Å; V249-L301 HydrophobicContact CG1-CD1 3.36Å; V249-V303 HydrophobicContact CG2-CG2 4.15Å |
| 250 | L | 97.5 | Very high | 83.2 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.3 | -174 | -63.8 | 101.7 | 0 | 0 | 0 | 111.2 | R248 E266 E267 L301 Y302 | R248-L250 HydrophobicContact CB-CD1 4.02Å; L250-E266 HydrophobicContact CD2-CG 3.86Å; L250-E267 WeakPolarHBondContact CA-O 2.98Å; L250-L301 CarbonylContact O-C 3.55Å; L250-L301 WeakPolarHBondContact O-CA 3.24Å; L250-Y302 HydrophobicContact CB-CD1 4.18Å; L250-Y302 HydrophobicContact CB-CE1 3.64Å; L250-Y302 HydrophobicContact CB-CE2 4.18Å; L250-Y302 HydrophobicContact CD1-CD2 4.37Å; L250-Y302 HydrophobicContact CD1-CE2 3.74Å; L250-Y302 HydrophobicContact CG-CE2 4.45Å; L250-Y302 PolarHBondContact N-O 2.87Å; L250-Y302 PolarHBondContact O-N 2.79Å |
| 251 | F | 97.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.6 | 170.2 | -70.7 | -105.7 | 0 | 0 | 0 | 108.1 | L236 V249 W265 E266 E267 A269 V285 P286 V299 S300 L301 F316 Y318 | L236-F251 HydrophobicContact CD2-CZ 3.76Å; V249-F251 HydrophobicContact CG1-CE2 4.28Å; F251-W265 HydrophobicContact CB-CH2 3.74Å; F251-W265 HydrophobicContact CB-CZ3 3.66Å; F251-E266 CarbonylContact O-C 3.57Å; F251-E266 VanDerWaalsContact O-CA 3.24Å; F251-E266 WeakPolarHBondContact O-CA 3.28Å; F251-E267 PolarHBondContact N-O 3.08Å; F251-E267 PolarHBondContact O-N 2.68Å; F251-A269 HydrophobicContact CD2-CB 4.27Å; F251-A269 HydrophobicContact CE2-CB 3.89Å; F251-V285 HydrophobicContact CE1-CG1 4.07Å; F251-V285 HydrophobicContact CZ-CG1 3.9Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å; F251-P286 HydrophobicContact CB-CG 4.49Å; F251-P286 HydrophobicContact CD2-CG 3.81Å; F251-P286 HydrophobicContact CE2-CG 4.32Å; F251-P286 HydrophobicContact CG-CG 4.23Å; F251-V299 HydrophobicContact CD1-CG2 3.95Å; F251-S300 CarbonylContact C-O 3.54Å; F251-S300 WeakPolarHBondContact CA-O 3.43Å; F251-L301 HydrophobicContact CD1-CD1 4.39Å; F251-L301 HydrophobicContact CD2-CD1 3.98Å; F251-L301 HydrophobicContact CE1-CD1 4.05Å; F251-L301 HydrophobicContact CE2-CD1 3.58Å; F251-L301 HydrophobicContact CG-CD1 4.36Å; F251-L301 HydrophobicContact CZ-CD1 3.63Å; F251-F316 HydrophobicContact CD1-CB 4.42Å; F251-F316 HydrophobicContact CD1-CD1 4.08Å; F251-F316 HydrophobicContact CD1-CG 4.27Å; F251-F316 HydrophobicContact CE1-CB 4.09Å; F251-F316 AromaticContact CE1-CD1 3.61Å; F251-F316 HydrophobicContact CE1-CD1 3.61Å; F251-F316 AromaticContact CE1-CD2 3.94Å; F251-F316 HydrophobicContact CE1-CD2 3.94Å; F251-F316 AromaticContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE2 4.25Å; F251-F316 AromaticContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CZ 4.27Å; F251-Y318 HydrophobicContact CD1-CE2 4.29Å |
| 252 | M | 95.1 | Very high | 80.8 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 138.6 | -176.2 | 69.7 | 177.5 | -51 | 0 | 0 | 112.6 | R254 L263 W265 E266 V299 S300 Y302 T313 | M252-R254 HydrophobicContact CE-CG 4.25Å; M252-L263 HydrophobicContact CB-CD1 4.12Å; M252-L263 HydrophobicContact CE-CD1 3.59Å; M252-W265 CarbonylContact C-O 3.54Å; M252-W265 VanDerWaalsContact CA-O 3.27Å; M252-W265 WeakPolarHBondContact CA-O 3.43Å; M252-E266 HydrophobicContact CB-CB 4.45Å; M252-E266 HydrophobicContact CB-CG 4.4Å; M252-V299 CarbonylContact O-C 3.6Å; M252-V299 WeakPolarHBondContact O-CA 3.35Å; M252-V299 WeakPolarHBondContact O-CB 3.36Å; M252-S300 PolarHBondContact N-O 3.42Å; M252-S300 PolarHBondContact O-N 3.14Å; M252-Y302 HydrophobicContact CB-CE1 4.45Å; M252-Y302 HydrophobicContact CG-CD1 4.37Å; M252-Y302 HydrophobicContact CG-CE1 4.12Å; M252-Y302 HydrophobicContact SD-CD1 3.93Å; M252-Y302 HydrophobicContact SD-CE1 3.59Å; M252-Y302 VanDerWaalsContact SD-CE1 3.59Å; M252-T313 HydrophobicContact SD-CG2 4.49Å |
| 253 | E | 93 | Very high | 80.5 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 12% | 0.117 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.5 | 171 | -169.9 | -176.6 | -166.5 | 0 | 0 | 109.6 | Q264 W265 Y288 V297 V299 | E253-Q264 PolarHBondContact O-N 3.42Å; E253-Q264 PolarHBondContact OE2-NE2 3.28Å; E253-W265 HydrophobicContact CB-CB 4.13Å; E253-W265 HydrophobicContact CB-CE3 4.32Å; E253-W265 PolarHBondContact N-O 2.78Å; E253-W265 PolarHBondContact O-N 2.79Å; E253-Y288 VanDerWaalsContact CD-OH 3.26Å; E253-Y288 PolarHBondContact OE1-OH 3.12Å; E253-Y288 PolarHBondContact OE2-OH 2.87Å; E253-V297 WeakPolarHBondContact OE1-CG1 3.34Å; E253-V299 HydrophobicContact CB-CG1 4.14Å |
| 254 | R | 86.5 | Confident | 80.2 | Confident | 148 Ų | 148 | 74.8 Ų | 74.8 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.1 | 170.6 | -64.8 | -174.9 | -175.4 | 179.8 | 1.9 | 108.6 | M252 | M252-R254 HydrophobicContact CE-CG 4.25Å |
| 255 | G | 76.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | trans | -63.1 | 136.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K262 Q264 | G255-K262 PolarHBondContact N-O 2.9Å; G255-Q264 VanDerWaalsContact CA-OE1 3.31Å | ||
| 256 | T | 62.2 | Low | 80.6 | Confident | 150 Ų | 150 | 72.9 Ų | 72.9 | 92% | 0.92 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -86 | -6.5 | -177.8 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 257 | G | 54.4 | Low | 80.9 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 76% | 0.763 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -100.5 | -5.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 258 | T | 44.6 | Very low | 81 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -135.2 | 140.5 | 174.3 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | D260 G261 | T258-D260 PolarHBondContact O-N 2.91Å; T258-G261 PolarHBondContact O-N 3.07Å |
| 259 | S | 50.5 | Low | 81 | Confident | 140 Ų | 140 | 70.2 Ų | 70.2 | 98% | 0.979 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 6 | 178.1 | 49.7 | 0 | 0 | 0 | 0 | 115 | ||
| 260 | D | 58.9 | Low | 81 | Confident | 145 Ų | 145 | 76.6 Ų | 76.6 | 78% | 0.775 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -1.2 | -173.5 | -132.9 | 11.9 | 0 | 0 | 0 | 113.3 | T258 K262 | T258-D260 PolarHBondContact O-N 2.91Å; D260-K262 PolarHBondContact O-N 2.85Å |
| 261 | G | 60.7 | Low | 81 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | trans | 56 | 30.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T258 L263 | T258-G261 PolarHBondContact O-N 3.07Å; G261-L263 PolarHBondContact O-N 3Å | ||
| 262 | K | 75.6 | Confident | 80.9 | Confident | 163 Ų | 163 | 79 Ų | 79 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | trans | -58.6 | 136 | -173.7 | -168.8 | 177 | 178.4 | -177.2 | 0 | 110.7 | G255 D260 Q264 | G255-K262 PolarHBondContact N-O 2.9Å; D260-K262 PolarHBondContact O-N 2.85Å; K262-Q264 PolarHBondContact O-N 3.49Å | ||
| 263 | L | 83.1 | Confident | 80.9 | Confident | 85 Ų | 85 | 83.7 Ų | 83.7 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 118.8 | 175.3 | -174 | 67.1 | 0 | 0 | 0 | 109.4 | M252 G261 W265 E266 | M252-L263 HydrophobicContact CB-CD1 4.12Å; M252-L263 HydrophobicContact CE-CD1 3.59Å; G261-L263 PolarHBondContact O-N 3Å; L263-W265 WeakPolarHBondContact CD1-O 3.37Å; L263-E266 HydrophobicContact CD1-CB 4.19Å; L263-E266 HydrophobicContact CD2-CB 3.98Å; L263-E266 HydrophobicContact CG-CB 4.4Å |
| 264 | Q | 87.3 | Confident | 81 | Confident | 118 Ų | 118 | 89.8 Ų | 89.8 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -37.9 | -179.3 | -177.7 | 173.1 | -42.8 | 0 | 0 | 110.9 | E253 G255 K262 | E253-Q264 PolarHBondContact O-N 3.42Å; E253-Q264 PolarHBondContact OE2-NE2 3.28Å; G255-Q264 VanDerWaalsContact CA-OE1 3.31Å; K262-Q264 PolarHBondContact O-N 3.49Å |
| 265 | W | 93.6 | Very high | 81.3 | Confident | 22 Ų | 22 | 87.7 Ų | 87.7 | 8% | 0.083 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.7 | 179.5 | 175.8 | 69.4 | 0 | 0 | 0 | 110 | F251 M252 E253 L263 E267 P286 Y288 S289 V299 Y318 | F251-W265 HydrophobicContact CB-CH2 3.74Å; F251-W265 HydrophobicContact CB-CZ3 3.66Å; M252-W265 CarbonylContact C-O 3.54Å; M252-W265 VanDerWaalsContact CA-O 3.27Å; M252-W265 WeakPolarHBondContact CA-O 3.43Å; E253-W265 HydrophobicContact CB-CB 4.13Å; E253-W265 HydrophobicContact CB-CE3 4.32Å; E253-W265 PolarHBondContact N-O 2.78Å; E253-W265 PolarHBondContact O-N 2.79Å; L263-W265 WeakPolarHBondContact CD1-O 3.37Å; W265-E267 HydrophobicContact CH2-CB 3.94Å; W265-E267 HydrophobicContact CZ2-CB 3.27Å; W265-E267 HydrophobicContact CZ2-CG 4.02Å; W265-P286 HydrophobicContact CH2-CG 4.49Å; W265-Y288 HydrophobicContact CD2-CD2 4.2Å; W265-Y288 HydrophobicContact CD2-CE2 4.2Å; W265-Y288 AromaticContact CE3-CD2 3.94Å; W265-Y288 HydrophobicContact CE3-CD2 3.94Å; W265-Y288 AromaticContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CH2-CD2 4.07Å; W265-Y288 HydrophobicContact CZ2-CD2 4.31Å; W265-Y288 AromaticContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CE2 4.29Å; W265-S289 VanDerWaalsContact CD1-CB 3.49Å; W265-V299 HydrophobicContact CE3-CG1 4.32Å; W265-V299 HydrophobicContact CZ3-CG1 4.07Å; W265-Y318 AromaticContact CH2-CE2 3.83Å; W265-Y318 HydrophobicContact CH2-CE2 3.83Å; W265-Y318 AromaticContact CZ3-CE2 3.96Å; W265-Y318 HydrophobicContact CZ3-CE2 3.96Å |
| 266 | E | 94.9 | Very high | 82.3 | Confident | 81 Ų | 81 | 88.1 Ų | 88.1 | 38% | 0.379 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 128.9 | 169.8 | -176.9 | 171.7 | -107.7 | 0 | 0 | 108.7 | L250 F251 M252 L263 Y302 | L250-E266 HydrophobicContact CD2-CG 3.86Å; F251-E266 CarbonylContact O-C 3.57Å; F251-E266 VanDerWaalsContact O-CA 3.24Å; F251-E266 WeakPolarHBondContact O-CA 3.28Å; M252-E266 HydrophobicContact CB-CB 4.45Å; M252-E266 HydrophobicContact CB-CG 4.4Å; L263-E266 HydrophobicContact CD1-CB 4.19Å; L263-E266 HydrophobicContact CD2-CB 3.98Å; L263-E266 HydrophobicContact CG-CB 4.4Å; E266-Y302 PolarHBondContact OE1-OH 2.77Å |
| 267 | E | 96.9 | Very high | 83.7 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.1 | -178.7 | -163.4 | 63.3 | -130.2 | 0 | 0 | 110.5 | L250 F251 W265 P286 | L250-E267 WeakPolarHBondContact CA-O 2.98Å; F251-E267 PolarHBondContact N-O 3.08Å; F251-E267 PolarHBondContact O-N 2.68Å; W265-E267 HydrophobicContact CH2-CB 3.94Å; W265-E267 HydrophobicContact CZ2-CB 3.27Å; W265-E267 HydrophobicContact CZ2-CG 4.02Å; E267-P286 HydrophobicContact CB-CB 4.39Å; E267-P286 HydrophobicContact CB-CG 4.24Å; E267-P286 HydrophobicContact CG-CB 3.73Å; E267-P286 HydrophobicContact CG-CG 4.11Å |
| 268 | E | 97.4 | Very high | 85.4 | Confident | 70 Ų | 70 | 88.4 Ų | 88.4 | 33% | 0.327 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.9 | 175.8 | 176.1 | 173.5 | -158.2 | 0 | 0 | 110.6 | R248 V249 | R248-E268 WeakPolarHBondContact CB-OE1 3.49Å; R248-E268 WeakPolarHBondContact CG-OE1 3.1Å; R248-E268 IonicContact CZ-OE1 3.01Å; R248-E268 IonicContact CZ-OE2 2.85Å; R248-E268 IonicContact NE-OE1 3.24Å; R248-E268 PolarHBondContact NE-OE1 3.02Å; R248-E268 IonicContact NE-OE2 3.5Å; R248-E268 PolarHBondContact NE-OE2 2.99Å; R248-E268 IonicContact NH2-OE2 3.71Å; R248-E268 PolarHBondContact NH2-OE2 2.95Å; V249-E268 WeakPolarHBondContact O-CA 3.37Å |
| 269 | A | 97.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.008 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 145.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V249 F251 V271 V283 R284 | V249-A269 HydrophobicContact CB-CB 4.17Å; V249-A269 HydrophobicContact CG1-CB 4.28Å; V249-A269 PolarHBondContact O-N 3.28Å; F251-A269 HydrophobicContact CD2-CB 4.27Å; F251-A269 HydrophobicContact CE2-CB 3.89Å; A269-V271 PolarHBondContact O-N 2.94Å; A269-V283 HydrophobicContact CB-CB 4.15Å; A269-V283 HydrophobicContact CB-CG2 4.15Å; A269-R284 WeakPolarHBondContact CB-O 3.36Å |
| 270 | H | 97.4 | Very high | 90 | Very high | 133 Ų | 133 | 83.1 Ų | 83.1 | 62% | 0.616 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118 | 174.3 | 176.3 | -79.7 | 0 | 0 | 0 | 110.1 | V283 R284 | H270-V283 CarbonylContact O-C 3.54Å; H270-V283 WeakPolarHBondContact O-CA 3.27Å; H270-V283 WeakPolarHBondContact O-CB 3.46Å; H270-R284 HydrophobicContact CB-CB 4.36Å; H270-R284 PolarHBondContact N-O 2.79Å; H270-R284 PolarHBondContact O-N 2.91Å |
| 271 | V | 97.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 76.3 Ų | 76.3 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | V249 A269 R273 L281 V283 | V249-V271 HydrophobicContact CG2-CG2 4.4Å; A269-V271 PolarHBondContact O-N 2.94Å; V271-R273 PolarHBondContact O-N 2.92Å; V271-L281 HydrophobicContact CG1-CD2 4.17Å; V271-V283 HydrophobicContact CB-CG1 4.25Å; V271-V283 HydrophobicContact CG1-CG1 4.26Å; V271-V283 HydrophobicContact CG2-CG1 3.84Å |
| 272 | D | 96.5 | Very high | 93.6 | Very high | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 103 | 167.7 | -177.3 | -13.9 | 0 | 0 | 0 | 109.1 | D274 N275 S276 C282 | D272-D274 VanDerWaalsContact C-N 3.33Å; D272-D274 PolarHBondContact OD1-N 2.61Å; D272-D274 VanDerWaalsContact OD1-N 3.07Å; D272-N275 PolarHBondContact OD1-N 3.38Å; D272-N275 PolarHBondContact OD2-ND2 3.09Å; D272-S276 VanDerWaalsContact O-CB 3.25Å; D272-S276 WeakPolarHBondContact O-CB 3.2Å; D272-S276 PolarHBondContact O-N 3.4Å; D272-S276 PolarHBondContact O-OG 3.46Å; D272-C282 HydrophobicContact CB-CB 4.25Å; D272-C282 PolarHBondContact N-O 2.72Å |
| 273 | R | 94.3 | Very high | 94.7 | Very high | 107 Ų | 107 | 67.3 Ų | 67.3 | 40% | 0.404 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -73.1 | -25.7 | -174.6 | -62.7 | -68 | -176.7 | -170.5 | -6.4 | 112.9 | P245 S247 V271 | P245-R273 PolarHBondContact O-NH1 3.23Å; S247-R273 PolarHBondContact O-NH1 2.92Å; S247-R273 PolarHBondContact O-NH2 3.42Å; V271-R273 PolarHBondContact O-N 2.92Å |
| 274 | D | 94.7 | Very high | 95.4 | Very high | 154 Ų | 154 | 70.2 Ų | 70.2 | 82% | 0.824 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.8 | -177.5 | -65.3 | -29.5 | 0 | 0 | 0 | 111 | D272 | D272-D274 VanDerWaalsContact C-N 3.33Å; D272-D274 PolarHBondContact OD1-N 2.61Å; D272-D274 VanDerWaalsContact OD1-N 3.07Å |
| 275 | N | 94.1 | Very high | 95.9 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 9.3 | 177.5 | -67.4 | -52.4 | 0 | 0 | 0 | 114 | D272 C282 | D272-N275 PolarHBondContact OD1-N 3.38Å; D272-N275 PolarHBondContact OD2-ND2 3.09Å; N275-C282 HydrophobicContact CB-CB 4.14Å |
| 276 | S | 95.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 64.6 Ų | 64.6 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | trans | -109.4 | 150.5 | 179.7 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | D272 L280 C282 | D272-S276 VanDerWaalsContact O-CB 3.25Å; D272-S276 WeakPolarHBondContact O-CB 3.2Å; D272-S276 PolarHBondContact O-N 3.4Å; D272-S276 PolarHBondContact O-OG 3.46Å; S276-L280 CarbonylContact C-O 3.56Å; S276-L280 WeakPolarHBondContact CA-O 3.34Å; S276-C282 PolarHBondContact OG-N 3.36Å | ||
| 277 | N | 93.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | trans | -146.5 | -170.3 | 175.5 | 65.3 | 57.1 | 0 | 0 | 0 | 111.6 | C279 L280 | N277-C279 PolarHBondContact O-N 2.85Å; N277-C279 VanDerWaalsContact O-N 3.15Å; N277-C279 PolarHBondContact OD1-N 2.89Å; N277-L280 PolarHBondContact N-O 3.04Å; N277-L280 PolarHBondContact O-N 3.11Å; N277-L280 VanDerWaalsContact O-O 3.11Å; N277-L280 PolarHBondContact OD1-N 3.01Å | ||
| 278 | E | 89.9 | Confident | 96.2 | Very high | 139 Ų | 139 | 59.3 Ų | 59.3 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.9 | -14.5 | -175.7 | -60.5 | -173 | 165 | 0 | 0 | 114.5 | F243 | F243-E278 WeakPolarHBondContact CB-O 3.29Å; F243-E278 PolarHBondContact N-O 3.24Å; F243-E278 VanDerWaalsContact N-O 3.08Å; F243-E278 WeakPolarHBondContact O-CA 3.24Å |
| 279 | C | 93.8 | Very high | 96 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 48% | 0.48 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -122.5 | -7.6 | -178.8 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | S239 G240 N277 | S239-C279 CarbonylContact C-O 3.54Å; S239-C279 WeakPolarHBondContact CA-O 3.38Å; G240-C279 PolarHBondContact N-O 3.08Å; G240-C279 WeakPolarHBondContact O-CA 3.48Å; G240-C279 WeakPolarHBondContact O-CB 3.36Å; N277-C279 PolarHBondContact O-N 2.85Å; N277-C279 VanDerWaalsContact O-N 3.15Å; N277-C279 PolarHBondContact OD1-N 2.89Å |
| 280 | L | 97.2 | Very high | 95.7 | Very high | 49 Ų | 49 | 62.7 Ų | 62.7 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.7 | -177.8 | -174.2 | 72.8 | 0 | 0 | 0 | 110.7 | L237 L238 S239 S276 N277 | L237-L280 HydrophobicContact CB-CD1 4.32Å; L238-L280 CarbonylContact O-C 3.57Å; L238-L280 WeakPolarHBondContact O-CA 3.26Å; S239-L280 WeakPolarHBondContact OG-CD1 3.5Å; S276-L280 CarbonylContact C-O 3.56Å; S276-L280 WeakPolarHBondContact CA-O 3.34Å; N277-L280 PolarHBondContact N-O 3.04Å; N277-L280 PolarHBondContact O-N 3.11Å; N277-L280 VanDerWaalsContact O-O 3.11Å; N277-L280 PolarHBondContact OD1-N 3.01Å |
| 281 | L | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.7 | 168 | -65.5 | 172.5 | 0 | 0 | 0 | 109.7 | L237 L238 F243 V249 V271 V283 V303 | L237-L281 WeakPolarHBondContact CA-O 2.89Å; L238-L281 HydrophobicContact CB-CB 4.32Å; L238-L281 PolarHBondContact N-O 3.27Å; L238-L281 PolarHBondContact O-N 3.09Å; F243-L281 HydrophobicContact CB-CD1 4.39Å; F243-L281 HydrophobicContact CB-CD2 4.27Å; F243-L281 HydrophobicContact CB-CG 4.23Å; F243-L281 HydrophobicContact CD1-CD1 4.04Å; F243-L281 HydrophobicContact CD2-CD1 4.06Å; F243-L281 HydrophobicContact CD2-CD2 4.49Å; F243-L281 HydrophobicContact CD2-CG 3.67Å; F243-L281 HydrophobicContact CE1-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CD1 4.34Å; F243-L281 HydrophobicContact CE2-CG 4.12Å; F243-L281 HydrophobicContact CG-CD1 3.9Å; F243-L281 HydrophobicContact CG-CD2 4.48Å; F243-L281 HydrophobicContact CG-CG 3.89Å; F243-L281 HydrophobicContact CZ-CD1 4.47Å; V249-L281 HydrophobicContact CG2-CD1 3.77Å; V271-L281 HydrophobicContact CG1-CD2 4.17Å; L281-V283 HydrophobicContact CB-CG1 4.27Å; L281-V303 HydrophobicContact CD1-CG1 3.92Å; L281-V303 HydrophobicContact CD1-CG2 3.87Å |
| 282 | C | 97.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.1 | 167.9 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | L237 D272 N275 S276 | L237-C282 HydrophobicContact CD2-CB 3.86Å; D272-C282 HydrophobicContact CB-CB 4.25Å; D272-C282 PolarHBondContact N-O 2.72Å; N275-C282 HydrophobicContact CB-CB 4.14Å; S276-C282 PolarHBondContact OG-N 3.36Å |
| 283 | V | 97.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 154.8 | -177.8 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | L236 V249 A269 H270 V271 L281 | L236-V283 HydrophobicContact CB-CG2 3.76Å; L236-V283 HydrophobicContact CD2-CG2 4Å; L236-V283 HydrophobicContact CG-CG2 4.07Å; L236-V283 PolarHBondContact N-O 3.29Å; L236-V283 PolarHBondContact O-N 2.89Å; V249-V283 HydrophobicContact CB-CG1 4.11Å; V249-V283 HydrophobicContact CG1-CG2 4.36Å; V249-V283 HydrophobicContact CG2-CG1 3.65Å; A269-V283 HydrophobicContact CB-CB 4.15Å; A269-V283 HydrophobicContact CB-CG2 4.15Å; H270-V283 CarbonylContact O-C 3.54Å; H270-V283 WeakPolarHBondContact O-CA 3.27Å; H270-V283 WeakPolarHBondContact O-CB 3.46Å; V271-V283 HydrophobicContact CB-CG1 4.25Å; V271-V283 HydrophobicContact CG1-CG1 4.26Å; V271-V283 HydrophobicContact CG2-CG1 3.84Å; L281-V283 HydrophobicContact CB-CG1 4.27Å |
| 284 | R | 98.1 | Very high | 94.8 | Very high | 146 Ų | 146 | 63.8 Ų | 63.8 | 55% | 0.551 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.5 | 169.1 | -170.5 | 171.2 | -66.7 | -95.4 | 1.2 | 109.5 | G233 E234 A269 H270 | G233-R284 WeakPolarHBondContact O-CG 3.35Å; G233-R284 PolarHBondContact O-NH1 2.92Å; E234-R284 WeakPolarHBondContact O-CA 3.4Å; A269-R284 WeakPolarHBondContact CB-O 3.36Å; H270-R284 HydrophobicContact CB-CB 4.36Å; H270-R284 PolarHBondContact N-O 2.79Å; H270-R284 PolarHBondContact O-N 2.91Å |
| 285 | V | 97.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.024 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 128.7 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | C228 G233 E234 L236 F251 F316 Y318 | C228-V285 VanDerWaalsContact SG-CG1 3.57Å; G233-V285 PolarHBondContact N-O 3.21Å; E234-V285 WeakPolarHBondContact O-CG2 3.29Å; E234-V285 PolarHBondContact O-N 3.09Å; L236-V285 HydrophobicContact CB-CG2 3.74Å; L236-V285 HydrophobicContact CD2-CG2 4.11Å; F251-V285 HydrophobicContact CE1-CG1 4.07Å; F251-V285 HydrophobicContact CZ-CG1 3.9Å; F251-V285 HydrophobicContact CZ-CG2 4.27Å; V285-F316 HydrophobicContact CG1-CE1 4.05Å; V285-F316 HydrophobicContact CG1-CZ 3.93Å; V285-F316 HydrophobicContact CG2-CZ 4.21Å; V285-Y318 HydrophobicContact CG1-CE1 3.91Å; V285-Y318 VanDerWaalsContact CG1-OH 3.28Å; V285-Y318 WeakPolarHBondContact CG1-OH 3.12Å |
| 286 | P | 97.4 | Very high | 94.6 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 160.7 | 179.4 | 29 | -33.3 | 0 | 0 | 0 | 111.4 | F251 W265 E267 Y318 | F251-P286 HydrophobicContact CB-CG 4.49Å; F251-P286 HydrophobicContact CD2-CG 3.81Å; F251-P286 HydrophobicContact CE2-CG 4.32Å; F251-P286 HydrophobicContact CG-CG 4.23Å; W265-P286 HydrophobicContact CH2-CG 4.49Å; E267-P286 HydrophobicContact CB-CB 4.39Å; E267-P286 HydrophobicContact CB-CG 4.24Å; E267-P286 HydrophobicContact CG-CB 3.73Å; E267-P286 HydrophobicContact CG-CG 4.11Å; P286-Y318 WeakPolarHBondContact O-CE1 3.05Å; P286-Y318 PolarHBondContact O-OH 2.85Å |
| 287 | A | 97 | Very high | 94.6 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E231 L291 | E231-A287 WeakPolarHBondContact O-CB 3.13Å; A287-L291 HydrophobicContact CB-CD2 4.43Å |
| 288 | Y | 96.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 62 Ų | 62 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 152.5 | 174 | -177.1 | -116 | 0 | 0 | 0 | 111 | V230 E253 W265 D290 L291 V293 V297 V299 Y318 | V230-Y288 HydrophobicContact CG1-CD1 4.42Å; V230-Y288 PolarHBondContact O-N 2.9Å; E253-Y288 VanDerWaalsContact CD-OH 3.26Å; E253-Y288 PolarHBondContact OE1-OH 3.12Å; E253-Y288 PolarHBondContact OE2-OH 2.87Å; W265-Y288 HydrophobicContact CD2-CD2 4.2Å; W265-Y288 HydrophobicContact CD2-CE2 4.2Å; W265-Y288 AromaticContact CE3-CD2 3.94Å; W265-Y288 HydrophobicContact CE3-CD2 3.94Å; W265-Y288 AromaticContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CE3-CE2 3.93Å; W265-Y288 HydrophobicContact CH2-CD2 4.07Å; W265-Y288 HydrophobicContact CZ2-CD2 4.31Å; W265-Y288 AromaticContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CD2 3.89Å; W265-Y288 HydrophobicContact CZ3-CE2 4.29Å; Y288-D290 VanDerWaalsContact C-N 3.33Å; Y288-D290 HydrophobicContact CD1-CB 4.44Å; Y288-D290 VanDerWaalsContact CD1-O 3.23Å; Y288-D290 WeakPolarHBondContact CD1-O 3.35Å; Y288-D290 HydrophobicContact CE1-CB 4.02Å; Y288-D290 PolarHBondContact O-N 2.94Å; Y288-L291 WeakPolarHBondContact O-CD2 3.4Å; Y288-V293 HydrophobicContact CD1-CG1 4.47Å; Y288-V293 HydrophobicContact CE1-CG1 3.9Å; Y288-V297 HydrophobicContact CE1-CB 4.35Å; Y288-V297 HydrophobicContact CE1-CG1 4.27Å; Y288-V297 HydrophobicContact CE1-CG2 3.87Å; Y288-V297 HydrophobicContact CE2-CG1 4.01Å; Y288-V299 HydrophobicContact CE2-CG1 4.35Å; Y288-Y318 AromaticContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CE2 4.14Å; Y288-Y318 HydrophobicContact CD2-CG 4.43Å; Y288-Y318 HydrophobicContact CG-CD2 4.01Å; Y288-Y318 HydrophobicContact CG-CG 4.15Å |
| 289 | S | 93.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -64.6 | -33 | -173 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | W265 | W265-S289 VanDerWaalsContact CD1-CB 3.49Š|
| 290 | D | 91.8 | Very high | 95 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | trans | -117 | 101.2 | 175.2 | -179.8 | 9.8 | 0 | 0 | 0 | 110.8 | Y288 S292 V293 | Y288-D290 VanDerWaalsContact C-N 3.33Å; Y288-D290 HydrophobicContact CD1-CB 4.44Å; Y288-D290 VanDerWaalsContact CD1-O 3.23Å; Y288-D290 WeakPolarHBondContact CD1-O 3.35Å; Y288-D290 HydrophobicContact CE1-CB 4.02Å; Y288-D290 PolarHBondContact O-N 2.94Å; D290-S292 PolarHBondContact O-N 2.8Å; D290-S292 WeakPolarHBondContact OD1-CA 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.48Å; D290-S292 PolarHBondContact OD1-N 2.89Å; D290-S292 PolarHBondContact OD1-OG 2.83Å; D290-V293 HydrophobicContact CB-CG1 4.02Å; D290-V293 WeakPolarHBondContact O-CG1 3.3Å | ||
| 291 | L | 92.5 | Very high | 95 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.1 | 178.4 | -55.7 | -178.3 | 0 | 0 | 0 | 113.2 | V230 A287 Y288 | V230-L291 HydrophobicContact CB-CD2 4.12Å; V230-L291 HydrophobicContact CG2-CD2 4.31Å; V230-L291 WeakPolarHBondContact O-CD2 3.29Å; A287-L291 HydrophobicContact CB-CD2 4.43Å; Y288-L291 WeakPolarHBondContact O-CD2 3.4Å |
| 292 | S | 91.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 69% | 0.685 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.5 | -175.9 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | D290 S294 | D290-S292 PolarHBondContact O-N 2.8Å; D290-S292 WeakPolarHBondContact OD1-CA 3.26Å; D290-S292 WeakPolarHBondContact OD1-CB 3.48Å; D290-S292 PolarHBondContact OD1-N 2.89Å; D290-S292 PolarHBondContact OD1-OG 2.83Å; S292-S294 PolarHBondContact O-N 2.96Å |
| 293 | V | 90.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | trans | -56.1 | 136.5 | 179.6 | -68 | 0 | 0 | 0 | 0 | 111.9 | V230 Y288 D290 V297 P320 | V230-V293 HydrophobicContact CG1-CG2 3.42Å; V230-V293 VanDerWaalsContact CG1-CG2 3.42Å; Y288-V293 HydrophobicContact CD1-CG1 4.47Å; Y288-V293 HydrophobicContact CE1-CG1 3.9Å; D290-V293 HydrophobicContact CB-CG1 4.02Å; D290-V293 WeakPolarHBondContact O-CG1 3.3Å; V293-V297 HydrophobicContact CB-CG2 4.16Å; V293-V297 HydrophobicContact CG1-CG2 3.9Å; V293-V297 HydrophobicContact CG2-CG2 4.1Å; V293-P320 HydrophobicContact CG2-CG 4.47Å; V293-P320 VanDerWaalsContact O-CB 3.22Å; V293-P320 WeakPolarHBondContact O-CB 3.44Å; V293-P320 WeakPolarHBondContact O-CG 3.34Å | ||
| 294 | S | 91.1 | Very high | 94.8 | Very high | 108 Ų | 108 | 52.2 Ų | 52.2 | 76% | 0.755 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -95.2 | -6.7 | 179.7 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | S292 | S292-S294 PolarHBondContact O-N 2.96Š|
| 295 | R | 91.3 | Very high | 94.5 | Very high | 194 Ų | 194 | 45.5 Ų | 45.5 | 73% | 0.732 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -135.2 | 153.3 | -177.7 | -63.7 | -179.7 | 66.8 | 164.5 | 0.9 | 110.5 | V297 | R295-V297 PolarHBondContact O-N 2.77Š|
| 296 | P | 94 | Very high | 93.8 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 36% | 0.357 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 132.7 | 173.4 | -27.5 | 36.5 | 0 | 0 | 0 | 112.4 | Y318 L319 F323 | P296-Y318 CarbonylContact C-O 3.51Å; P296-Y318 VanDerWaalsContact CA-O 3.26Å; P296-Y318 WeakPolarHBondContact CA-O 3.14Å; P296-L319 HydrophobicContact CB-CD2 3.98Å; P296-L319 HydrophobicContact CG-CD2 3.99Å; P296-F323 HydrophobicContact CG-CD2 4.43Å; P296-F323 HydrophobicContact CG-CE2 3.77Å; P296-F323 HydrophobicContact CG-CZ 3.83Å |
| 297 | V | 94.3 | Very high | 92.8 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.7 | 177.5 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | E253 Y288 V293 R295 V299 K317 Y318 | E253-V297 WeakPolarHBondContact OE1-CG1 3.34Å; Y288-V297 HydrophobicContact CE1-CB 4.35Å; Y288-V297 HydrophobicContact CE1-CG1 4.27Å; Y288-V297 HydrophobicContact CE1-CG2 3.87Å; Y288-V297 HydrophobicContact CE2-CG1 4.01Å; V293-V297 HydrophobicContact CB-CG2 4.16Å; V293-V297 HydrophobicContact CG1-CG2 3.9Å; V293-V297 HydrophobicContact CG2-CG2 4.1Å; R295-V297 PolarHBondContact O-N 2.77Å; V297-V299 HydrophobicContact CG1-CG1 4.14Å; V297-K317 CarbonylContact O-C 3.6Å; V297-K317 VanDerWaalsContact O-CA 3.26Å; V297-K317 WeakPolarHBondContact O-CA 3.23Å; V297-Y318 PolarHBondContact N-O 3.3Å; V297-Y318 PolarHBondContact O-N 2.86Å |
| 298 | S | 94.4 | Very high | 91.9 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 299 | V | 95.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.8 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | F251 M252 E253 W265 Y288 V297 F316 Y318 | F251-V299 HydrophobicContact CD1-CG2 3.95Å; M252-V299 CarbonylContact O-C 3.6Å; M252-V299 WeakPolarHBondContact O-CA 3.35Å; M252-V299 WeakPolarHBondContact O-CB 3.36Å; E253-V299 HydrophobicContact CB-CG1 4.14Å; W265-V299 HydrophobicContact CE3-CG1 4.32Å; W265-V299 HydrophobicContact CZ3-CG1 4.07Å; Y288-V299 HydrophobicContact CE2-CG1 4.35Å; V297-V299 HydrophobicContact CG1-CG1 4.14Å; V299-F316 HydrophobicContact CG2-CB 3.97Å; V299-F316 HydrophobicContact CG2-CD1 4.09Å; V299-F316 WeakPolarHBondContact CG2-O 3.46Å; V299-F316 PolarHBondContact N-O 2.6Å; V299-F316 PolarHBondContact O-N 2.93Å; V299-F316 VanDerWaalsContact O-O 3.1Å; V299-Y318 HydrophobicContact CG1-CD2 4.1Å; V299-Y318 HydrophobicContact CG1-CE2 4.35Å; V299-Y318 HydrophobicContact CG2-CD2 4.03Å; V299-Y318 HydrophobicContact CG2-CE2 3.86Å |
| 300 | S | 95.8 | Very high | 91.4 | Very high | 38 Ų | 38 | 69.6 Ų | 69.6 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.3 | 173.9 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | F251 M252 H314 | F251-S300 CarbonylContact C-O 3.54Å; F251-S300 WeakPolarHBondContact CA-O 3.43Å; M252-S300 PolarHBondContact N-O 3.42Å; M252-S300 PolarHBondContact O-N 3.14Å; S300-H314 CarbonylContact C-O 3.54Å; S300-H314 WeakPolarHBondContact CA-O 3.36Å |
| 301 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.3 | 178.6 | 169.7 | 64.5 | 0 | 0 | 0 | 109.5 | V223 L236 L238 V249 L250 F251 T313 H314 F316 | V223-L301 HydrophobicContact CG1-CD2 4.1Å; L236-L301 HydrophobicContact CD2-CD2 3.97Å; L238-L301 HydrophobicContact CD2-CD2 3.91Å; V249-L301 HydrophobicContact CG1-CD1 3.36Å; L250-L301 CarbonylContact O-C 3.55Å; L250-L301 WeakPolarHBondContact O-CA 3.24Å; F251-L301 HydrophobicContact CD1-CD1 4.39Å; F251-L301 HydrophobicContact CD2-CD1 3.98Å; F251-L301 HydrophobicContact CE1-CD1 4.05Å; F251-L301 HydrophobicContact CE2-CD1 3.58Å; F251-L301 HydrophobicContact CG-CD1 4.36Å; F251-L301 HydrophobicContact CZ-CD1 3.63Å; L301-T313 CarbonylContact O-C 3.49Å; L301-T313 VanDerWaalsContact O-CA 3.3Å; L301-T313 WeakPolarHBondContact O-CA 3.26Å; L301-H314 HydrophobicContact CB-CB 4.36Å; L301-H314 PolarHBondContact N-O 3.25Å; L301-H314 PolarHBondContact O-N 3.2Å; L301-F316 HydrophobicContact CB-CB 4.45Å |
| 302 | Y | 96.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158 | 173.2 | 68.9 | -84.7 | 0 | 0 | 0 | 113.2 | L250 M252 E266 R310 T313 | L250-Y302 HydrophobicContact CB-CD1 4.18Å; L250-Y302 HydrophobicContact CB-CE1 3.64Å; L250-Y302 HydrophobicContact CB-CE2 4.18Å; L250-Y302 HydrophobicContact CD1-CD2 4.37Å; L250-Y302 HydrophobicContact CD1-CE2 3.74Å; L250-Y302 HydrophobicContact CG-CE2 4.45Å; L250-Y302 PolarHBondContact N-O 2.87Å; L250-Y302 PolarHBondContact O-N 2.79Å; M252-Y302 HydrophobicContact CB-CE1 4.45Å; M252-Y302 HydrophobicContact CG-CD1 4.37Å; M252-Y302 HydrophobicContact CG-CE1 4.12Å; M252-Y302 HydrophobicContact SD-CD1 3.93Å; M252-Y302 HydrophobicContact SD-CE1 3.59Å; M252-Y302 VanDerWaalsContact SD-CE1 3.59Å; E266-Y302 PolarHBondContact OE1-OH 2.77Å; Y302-R310 HydrophobicContact CD2-CB 3.74Å; Y302-R310 HydrophobicContact CE2-CB 4Å; Y302-T313 HydrophobicContact CD1-CG2 4.36Å |
| 303 | V | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.4 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | P218 I220 L238 F243 R248 V249 L281 R310 S311 | P218-V303 HydrophobicContact CB-CB 4Å; P218-V303 HydrophobicContact CB-CG1 3.63Å; P218-V303 HydrophobicContact CG-CB 4.19Å; P218-V303 HydrophobicContact CG-CG1 3.95Å; P218-V303 WeakPolarHBondContact CG-O 3.22Å; I220-V303 HydrophobicContact CD1-CB 4.4Å; I220-V303 HydrophobicContact CD1-CG2 3.73Å; I220-V303 HydrophobicContact CG1-CB 4.35Å; I220-V303 HydrophobicContact CG1-CG2 3.68Å; L238-V303 HydrophobicContact CD1-CG2 3.85Å; F243-V303 HydrophobicContact CD1-CG1 3.86Å; F243-V303 HydrophobicContact CE1-CB 4.19Å; F243-V303 HydrophobicContact CE1-CG1 3.98Å; F243-V303 HydrophobicContact CE1-CG2 3.89Å; F243-V303 HydrophobicContact CZ-CG2 4.38Å; R248-V303 CarbonylContact O-C 3.51Å; R248-V303 WeakPolarHBondContact O-CA 3.39Å; V249-V303 HydrophobicContact CG2-CG2 4.15Å; L281-V303 HydrophobicContact CD1-CG1 3.92Å; L281-V303 HydrophobicContact CD1-CG2 3.87Å; V303-R310 CarbonylContact O-C 3.54Å; V303-R310 VanDerWaalsContact O-CA 3.26Å; V303-R310 WeakPolarHBondContact O-CA 3.42Å; V303-S311 PolarHBondContact N-OG 3.37Å; V303-S311 PolarHBondContact O-N 3.16Å |
| 304 | S | 95.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.6 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | S247 R248 G306 K309 | S247-S304 WeakPolarHBondContact CA-O 3.5Å; R248-S304 PolarHBondContact N-O 3.5Å; R248-S304 PolarHBondContact O-N 2.96Å; S304-G306 PolarHBondContact O-N 3.36Å; S304-G306 PolarHBondContact OG-O 2.9Å; S304-K309 CarbonylContact C-O 3.55Å; S304-K309 WeakPolarHBondContact CA-O 3.29Å |
| 305 | N | 91.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -99.8 | 51.6 | 173 | -71 | -5.9 | 0 | 0 | 0 | 110.2 | P218 N242 L244 S247 K309 | P218-N305 HydrophobicContact CG-CB 4.42Å; N242-N305 PolarHBondContact O-ND2 2.89Å; L244-N305 HydrophobicContact CD1-CB 3.73Å; S247-N305 PolarHBondContact OG-OD1 3.48Å; N305-K309 HydrophobicContact CB-CB 4.06Å; N305-K309 PolarHBondContact N-O 3.5Å |
| 306 | G | 83.5 | Confident | 92.4 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 93.5 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S304 R308 K309 | S304-G306 PolarHBondContact O-N 3.36Å; S304-G306 PolarHBondContact OG-O 2.9Å; G306-R308 VanDerWaalsContact C-N 3.25Å; G306-R308 PolarHBondContact O-N 2.63Å; G306-K309 PolarHBondContact O-N 3.48Å |
| 307 | K | 76.6 | Confident | 92.5 | Very high | 216 Ų | 216 | 57.8 Ų | 57.8 | 94% | 0.939 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.3 | -161.1 | -66.7 | -173.6 | 178.6 | -177.7 | 0 | 117.2 | ||
| 308 | R | 77.1 | Confident | 92.6 | Very high | 237 Ų | 237 | 57 Ų | 57 | 89% | 0.894 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 5.5 | -173.8 | -60.6 | -171.6 | -168.8 | -179.8 | 3.6 | 114.2 | G306 | G306-R308 VanDerWaalsContact C-N 3.25Å; G306-R308 PolarHBondContact O-N 2.63Å |
| 309 | K | 88.3 | Confident | 92.7 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | trans | -122.1 | 95.1 | -173.2 | -58.2 | -176.4 | -159.7 | 175.1 | 0 | 109.4 | A214 Q215 L217 S304 N305 G306 | A214-K309 VanDerWaalsContact O-CD 3.27Å; A214-K309 WeakPolarHBondContact O-CD 3.48Å; A214-K309 WeakPolarHBondContact O-CE 3.49Å; A214-K309 PolarHBondContact O-NZ 3.29Å; Q215-K309 HydrophobicContact CB-CD 4.09Å; L217-K309 HydrophobicContact CD2-CB 3.83Å; L217-K309 HydrophobicContact CD2-CG 4.26Å; S304-K309 CarbonylContact C-O 3.55Å; S304-K309 WeakPolarHBondContact CA-O 3.29Å; N305-K309 HydrophobicContact CB-CB 4.06Å; N305-K309 PolarHBondContact N-O 3.5Å; G306-K309 PolarHBondContact O-N 3.48Å | ||
| 310 | R | 92.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 56.3 Ų | 56.3 | 50% | 0.502 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -123.4 | 153 | -177.9 | 63.4 | -178.8 | 125.2 | -163.7 | -0.7 | 111.3 | Y302 V303 | Y302-R310 HydrophobicContact CD2-CB 3.74Å; Y302-R310 HydrophobicContact CE2-CB 4Å; V303-R310 CarbonylContact O-C 3.54Å; V303-R310 VanDerWaalsContact O-CA 3.26Å; V303-R310 WeakPolarHBondContact O-CA 3.42Å |
| 311 | S | 94.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | trans | -70.1 | 175.1 | 169.4 | 68 | 0 | 0 | 0 | 0 | 111.4 | P218 V303 | P218-S311 WeakPolarHBondContact O-CA 3.22Å; P218-S311 WeakPolarHBondContact O-CB 3.33Å; V303-S311 PolarHBondContact N-OG 3.37Å; V303-S311 PolarHBondContact O-N 3.16Å | ||
| 312 | S | 92.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | trans | -58.2 | 156.2 | 156.1 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 313 | T | 94.6 | Very high | 88.9 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | trans | -86.7 | 143.9 | 175.5 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | M252 L301 Y302 | M252-T313 HydrophobicContact SD-CG2 4.49Å; L301-T313 CarbonylContact O-C 3.49Å; L301-T313 VanDerWaalsContact O-CA 3.3Å; L301-T313 WeakPolarHBondContact O-CA 3.26Å; Y302-T313 HydrophobicContact CD1-CG2 4.36Å | ||
| 314 | H | 95.1 | Very high | 86.6 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 148.6 | 174.2 | -78 | -101.9 | 0 | 0 | 0 | 109.6 | I220 V223 S300 L301 | I220-H314 WeakPolarHBondContact CB-NE2 3.45Å; I220-H314 PolarHBondContact O-NE2 3.4Å; V223-H314 HydrophobicContact CG2-CB 4.42Å; S300-H314 CarbonylContact C-O 3.54Å; S300-H314 WeakPolarHBondContact CA-O 3.36Å; L301-H314 HydrophobicContact CB-CB 4.36Å; L301-H314 PolarHBondContact N-O 3.25Å; L301-H314 PolarHBondContact O-N 3.2Å |
| 315 | C | 95.4 | Very high | 84.3 | Confident | 81 Ų | 81 | 87.1 Ų | 87.1 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.2 | 178.6 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 316 | F | 97.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 90.6 Ų | 90.6 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.1 | 171.5 | -171 | -86.3 | 0 | 0 | 0 | 109.8 | V225 T226 C228 F251 V285 V299 L301 Y318 | V225-F316 WeakPolarHBondContact O-CE2 3.15Å; T226-F316 CarbonylContact O-C 3.43Å; T226-F316 WeakPolarHBondContact O-CA 3.04Å; C228-F316 HydrophobicContact CB-CE1 4.37Å; C228-F316 HydrophobicContact CB-CZ 3.91Å; C228-F316 VanDerWaalsContact SG-CE1 3.53Å; C228-F316 VanDerWaalsContact SG-CZ 3.52Å; F251-F316 HydrophobicContact CD1-CB 4.42Å; F251-F316 HydrophobicContact CD1-CD1 4.08Å; F251-F316 HydrophobicContact CD1-CG 4.27Å; F251-F316 HydrophobicContact CE1-CB 4.09Å; F251-F316 AromaticContact CE1-CD1 3.61Å; F251-F316 HydrophobicContact CE1-CD1 3.61Å; F251-F316 AromaticContact CE1-CD2 3.94Å; F251-F316 HydrophobicContact CE1-CD2 3.94Å; F251-F316 AromaticContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE1 3.96Å; F251-F316 HydrophobicContact CE1-CE2 4.25Å; F251-F316 AromaticContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CG 3.61Å; F251-F316 HydrophobicContact CE1-CZ 4.27Å; V285-F316 HydrophobicContact CG1-CE1 4.05Å; V285-F316 HydrophobicContact CG1-CZ 3.93Å; V285-F316 HydrophobicContact CG2-CZ 4.21Å; V299-F316 HydrophobicContact CG2-CB 3.97Å; V299-F316 HydrophobicContact CG2-CD1 4.09Å; V299-F316 WeakPolarHBondContact CG2-O 3.46Å; V299-F316 PolarHBondContact N-O 2.6Å; V299-F316 PolarHBondContact O-N 2.93Å; V299-F316 VanDerWaalsContact O-O 3.1Å; L301-F316 HydrophobicContact CB-CB 4.45Å; F316-Y318 HydrophobicContact CD1-CE2 4.32Å; F316-Y318 HydrophobicContact CE1-CD1 4.41Å; F316-Y318 HydrophobicContact CE1-CE1 4.21Å; F316-Y318 HydrophobicContact CE1-CE2 4.38Å |
| 317 | K | 96.8 | Very high | 79.6 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.5 | -178.1 | -64.9 | 179.2 | -176.6 | 173.1 | 0 | 113.3 | T226 S227 C228 V297 | T226-K317 PolarHBondContact O-N 2.88Å; S227-K317 CarbonylContact C-O 3.54Å; S227-K317 WeakPolarHBondContact CA-O 3.33Å; S227-K317 VanDerWaalsContact CB-O 3.29Å; S227-K317 WeakPolarHBondContact CB-O 3.44Å; C228-K317 PolarHBondContact N-O 3.1Å; V297-K317 CarbonylContact O-C 3.6Å; V297-K317 VanDerWaalsContact O-CA 3.26Å; V297-K317 WeakPolarHBondContact O-CA 3.23Å |
| 318 | Y | 96.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.5 | 167.4 | -73.6 | -77.3 | 0 | 0 | 0 | 110.7 | C228 S229 F251 W265 V285 P286 Y288 P296 V297 V299 F316 | C228-Y318 CarbonylContact O-C 3.51Å; C228-Y318 WeakPolarHBondContact O-CA 3.45Å; C228-Y318 WeakPolarHBondContact SG-CE1 2.87Å; S229-Y318 WeakPolarHBondContact O-CD1 3.18Å; F251-Y318 HydrophobicContact CD1-CE2 4.29Å; W265-Y318 AromaticContact CH2-CE2 3.83Å; W265-Y318 HydrophobicContact CH2-CE2 3.83Å; W265-Y318 AromaticContact CZ3-CE2 3.96Å; W265-Y318 HydrophobicContact CZ3-CE2 3.96Å; V285-Y318 HydrophobicContact CG1-CE1 3.91Å; V285-Y318 VanDerWaalsContact CG1-OH 3.28Å; V285-Y318 WeakPolarHBondContact CG1-OH 3.12Å; P286-Y318 WeakPolarHBondContact O-CE1 3.05Å; P286-Y318 PolarHBondContact O-OH 2.85Å; Y288-Y318 AromaticContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CD2 3.83Å; Y288-Y318 HydrophobicContact CD2-CE2 4.14Å; Y288-Y318 HydrophobicContact CD2-CG 4.43Å; Y288-Y318 HydrophobicContact CG-CD2 4.01Å; Y288-Y318 HydrophobicContact CG-CG 4.15Å; P296-Y318 CarbonylContact C-O 3.51Å; P296-Y318 VanDerWaalsContact CA-O 3.26Å; P296-Y318 WeakPolarHBondContact CA-O 3.14Å; V297-Y318 PolarHBondContact N-O 3.3Å; V297-Y318 PolarHBondContact O-N 2.86Å; V299-Y318 HydrophobicContact CG1-CD2 4.1Å; V299-Y318 HydrophobicContact CG1-CE2 4.35Å; V299-Y318 HydrophobicContact CG2-CD2 4.03Å; V299-Y318 HydrophobicContact CG2-CE2 3.86Å; F316-Y318 HydrophobicContact CD1-CE2 4.32Å; F316-Y318 HydrophobicContact CE1-CD1 4.41Å; F316-Y318 HydrophobicContact CE1-CE1 4.21Å; F316-Y318 HydrophobicContact CE1-CE2 4.38Å |
| 319 | L | 95.8 | Very high | 75.9 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.3 | -177.2 | -56.8 | 178.7 | 0 | 0 | 0 | 110.7 | C228 S229 V230 P296 F323 | C228-L319 PolarHBondContact O-N 2.58Å; S229-L319 CarbonylContact C-O 3.59Å; V230-L319 VanDerWaalsContact CG1-O 3.29Å; V230-L319 WeakPolarHBondContact CG1-O 3.49Å; V230-L319 PolarHBondContact N-O 3.38Å; P296-L319 HydrophobicContact CB-CD2 3.98Å; P296-L319 HydrophobicContact CG-CD2 3.99Å; L319-F323 HydrophobicContact CB-CB 4.4Å |
| 320 | P | 93.1 | Very high | 73.6 | Confident | 11 Ų | 11 | 90.6 Ų | 90.6 | 7% | 0.071 | 49% | 0.49 | C | S | . | . | trans | -53.1 | 147.9 | 174.9 | -28.2 | 35 | 0 | 0 | 0 | 113.5 | V293 N322 F323 | V293-P320 HydrophobicContact CG2-CG 4.47Å; V293-P320 VanDerWaalsContact O-CB 3.22Å; V293-P320 WeakPolarHBondContact O-CB 3.44Å; V293-P320 WeakPolarHBondContact O-CG 3.34Å; P320-N322 PolarHBondContact O-N 3.26Å; P320-N322 VanDerWaalsContact O-N 3.12Å; P320-F323 HydrophobicContact CB-CB 4.19Å; P320-F323 HydrophobicContact CB-CD2 4.39Å; P320-F323 HydrophobicContact CG-CD2 3.96Å; P320-F323 WeakPolarHBondContact O-CB 3.47Å; P320-F323 PolarHBondContact O-N 2.78Å | ||
| 321 | V | 81.1 | Confident | 70.8 | Confident | 81 Ų | 81 | 89 Ų | 89 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.5 | 176.7 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | V230 E231 F323 | V230-V321 HydrophobicContact CG2-CG2 3.56Å; E231-V321 HydrophobicContact CG-CG2 4.24Å; V321-F323 VanDerWaalsContact C-N 3.31Å |
| 322 | N | 69.6 | Low | 68.4 | Low | 153 Ų | 153 | 93.9 Ų | 93.9 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 6.9 | 179.1 | -62.4 | -29.6 | 0 | 0 | 0 | 113.7 | P320 K324 | P320-N322 PolarHBondContact O-N 3.26Å; P320-N322 VanDerWaalsContact O-N 3.12Å; N322-K324 PolarHBondContact O-N 2.84Å |
| 323 | F | 62.5 | Low | 65.9 | Low | 107 Ų | 107 | 98 Ų | 98 | 47% | 0.469 | 55% | 0.545 | S | S | . | . | trans | -76.3 | 76.6 | 178.3 | -142 | -93.9 | 0 | 0 | 0 | 109.1 | P296 L319 P320 V321 E325 | P296-F323 HydrophobicContact CG-CD2 4.43Å; P296-F323 HydrophobicContact CG-CE2 3.77Å; P296-F323 HydrophobicContact CG-CZ 3.83Å; L319-F323 HydrophobicContact CB-CB 4.4Å; P320-F323 HydrophobicContact CB-CB 4.19Å; P320-F323 HydrophobicContact CB-CD2 4.39Å; P320-F323 HydrophobicContact CG-CD2 3.96Å; P320-F323 WeakPolarHBondContact O-CB 3.47Å; P320-F323 PolarHBondContact O-N 2.78Å; V321-F323 VanDerWaalsContact C-N 3.31Å; F323-E325 PolarHBondContact O-N 3.31Å; F323-E325 VanDerWaalsContact O-N 3.09Å | ||
| 324 | K | 48.7 | Very low | 63.6 | Low | 195 Ų | 195 | 99.6 Ų | 99.6 | 85% | 0.848 | 56% | 0.557 | S | S | * | * | trans | -65.5 | 107 | 159.5 | -74.9 | -175.3 | 178.2 | -179.5 | 0 | 106.3 | N322 S326 | N322-K324 PolarHBondContact O-N 2.84Å; K324-S326 PolarHBondContact O-N 2.91Å | ||
| 325 | E | 46.5 | Very low | 61.2 | Low | 175 Ų | 175 | 103 Ų | 103 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | trans | -53.3 | 108.3 | 158.3 | -167.2 | 168.7 | -150.9 | 0 | 0 | 106 | F323 P327 | F323-E325 PolarHBondContact O-N 3.31Å; F323-E325 VanDerWaalsContact O-N 3.09Å; E325-P327 WeakPolarHBondContact O-CD 3.27Å | ||
| 326 | S | 36.7 | Very low | 58.8 | Low | 78 Ų | 78 | 106.3 Ų | 106.3 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -61.9 | 126 | 170.2 | 72.8 | 0 | 0 | 0 | 0 | 105.3 | K324 L328 | K324-S326 PolarHBondContact O-N 2.91Å; S326-L328 PolarHBondContact O-N 3.43Å | ||
| 327 | P | 40.7 | Very low | 55.9 | Low | 121 Ų | 121 | 112 Ų | 112 | 79% | 0.786 | 63% | 0.632 | S | S | * | * | trans | -62.8 | 101.6 | 163.4 | 26.1 | -28 | 0 | 0 | 0 | 104.5 | E325 A329 | E325-P327 WeakPolarHBondContact O-CD 3.27Å; P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å | ||
| 328 | L | 39.8 | Very low | 53.1 | Low | 162 Ų | 162 | 114 Ų | 114 | 85% | 0.848 | 65% | 0.652 | S | S | * | * | trans | -56 | 114.7 | 163.6 | -84.8 | 168.5 | 0 | 0 | 0 | 104.3 | S326 | S326-L328 PolarHBondContact O-N 3.43Š| ||
| 329 | A | 35.4 | Very low | 50.2 | Low | 81 Ų | 81 | 119 Ų | 119 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -42.2 | 147.7 | 180 | 0 | 0 | 0 | 0 | 0 | 110.3 | P327 S331 | P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å; A329-S331 PolarHBondContact O-N 3.02Å | ||
| 330 | N | 39.7 | Very low | 47.5 | Very low | 166 Ų | 166 | 121 Ų | 121 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | trans | -34.6 | 95 | 144.5 | -73.3 | -23.3 | 0 | 0 | 0 | 109.4 | ||||
| 331 | S | 35.5 | Very low | 44.8 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.9 | 154.3 | 179.6 | 0 | 0 | 0 | 0 | 105.1 | A329 L333 | A329-S331 PolarHBondContact O-N 3.02Å; S331-L333 PolarHBondContact O-N 3.5Å |
| 332 | P | 42.4 | Very low | 42.7 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.7 | 166.7 | 22.5 | -24.7 | 0 | 0 | 0 | 107.9 | ||
| 333 | L | 40.4 | Very low | 41.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 138.8 | 170.8 | -70 | 162.2 | 0 | 0 | 0 | 109 | S331 | S331-L333 PolarHBondContact O-N 3.5Š|
| 334 | P | 47.2 | Very low | 40 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 144.1 | 168.9 | 27 | -31.2 | 0 | 0 | 0 | 108.9 | I336 | P334-I336 PolarHBondContact O-N 3.03Š|
| 335 | P | 44.3 | Very low | 39.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.7 | -179.2 | 25.1 | -30.9 | 0 | 0 | 0 | 109.5 | ||
| 336 | I | 44.3 | Very low | 38.7 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126.7 | 173.3 | -60.5 | 170.3 | 0 | 0 | 0 | 107.8 | P334 T338 | P334-I336 PolarHBondContact O-N 3.03Å; I336-T338 PolarHBondContact O-N 3.3Å; I336-T338 VanDerWaalsContact O-N 3.11Å |
| 337 | P | 37.1 | Very low | 38.5 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -66.3 | 113.8 | 169.2 | -10.4 | 24.7 | 0 | 0 | 0 | 108.1 | S339 | P337-S339 PolarHBondContact O-N 2.76Å; P337-S339 VanDerWaalsContact O-N 3.08Å | ||
| 338 | T | 36.8 | Very low | 38.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -58.5 | 110 | 164.9 | 37 | 0 | 0 | 0 | 0 | 108.6 | I336 | I336-T338 PolarHBondContact O-N 3.3Å; I336-T338 VanDerWaalsContact O-N 3.11Å | ||
| 339 | S | 36.5 | Very low | 38.7 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | -63.1 | 134.2 | 165.3 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | P337 | P337-S339 PolarHBondContact O-N 2.76Å; P337-S339 VanDerWaalsContact O-N 3.08Å | ||
| 340 | P | 40.3 | Very low | 38.4 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 58% | 0.584 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 140.8 | 163.8 | 32.2 | -28.1 | 0 | 0 | 0 | 107.7 | ||||
| 341 | F | 34.5 | Very low | 38.2 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 131.9 | 135.7 | 157.7 | -68.1 | -65.6 | 0 | 0 | 0 | 113.7 | ||||
| 342 | P | 38.6 | Very low | 38.1 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | trans | -92 | 155.1 | -152.4 | 33.9 | -29.6 | 0 | 0 | 0 | 114.3 | ||||
| 343 | Q | 41.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -56.4 | 140.6 | 171.3 | -66.3 | 176.4 | -44.6 | 0 | 0 | 112.6 | ||||
| 344 | Y | 32.6 | Very low | 38.1 | Very low | 221 Ų | 221 | 141.2 Ų | 141.2 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -149.6 | 117.9 | 148.6 | -104.5 | -83.2 | 0 | 0 | 0 | 112.4 | ||||
| 345 | S | 32.4 | Very low | 38 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 45.4 | 116.3 | 137.7 | 55.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 346 | A | 35.9 | Very low | 37.8 | Very low | 81 Ų | 81 | 142 Ų | 142 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | 40.6 | 132.2 | 117.4 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 347 | Y | 32 | Very low | 37.5 | Very low | 224 Ų | 224 | 140.2 Ų | 140.2 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | 90.9 | 155.4 | 158 | -61.4 | -74.4 | 0 | 0 | 0 | 119.2 | ||||
| 348 | P | 41.4 | Very low | 37.6 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | -131.8 | -178.6 | -62.5 | 35.3 | -16 | 0 | 0 | 0 | 113.6 | |||||
| 349 | Q | 43 | Very low | 37.8 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -34.9 | 134.4 | 178.4 | -72.4 | 174.9 | -66.2 | 0 | 0 | 117.2 | ||||
| 350 | E | 31.1 | Very low | 37.8 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -139.7 | 143.2 | 157.3 | -89.6 | -96.2 | 120.7 | 0 | 0 | 110 | ||||
| 351 | L | 33.9 | Very low | 37.6 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.6 | -170.1 | -79.3 | 66.7 | 0 | 0 | 0 | 114.4 | P353 | L351-P353 WeakPolarHBondContact O-CD 3.47Š|
| 352 | C | 33.4 | Very low | 37.7 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 127.3 | 162.2 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 353 | P | 37 | Very low | 37.6 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 147.1 | 159.4 | 16.9 | -0.3 | 0 | 0 | 0 | 111.7 | L351 | L351-P353 WeakPolarHBondContact O-CD 3.47Š|
| 354 | S | 45.6 | Very low | 37.2 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 154.3 | 177.6 | -36 | 0 | 0 | 0 | 0 | 114.1 | ||
| 355 | P | 45.6 | Very low | 37.4 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 147.7 | 179.9 | 29.5 | -32.7 | 0 | 0 | 0 | 112.6 | ||
| 356 | P | 40.9 | Very low | 37.7 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79 | 145.4 | -178.1 | 30.6 | -32.3 | 0 | 0 | 0 | 113 | ||
| 357 | S | 38 | Very low | 38.7 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128.6 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 358 | N | 38.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 125.8 | 177.8 | -136.3 | 12.1 | 0 | 0 | 0 | 110.5 | ||
| 359 | P | 41.8 | Very low | 39 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 64% | 0.636 | 83% | 0.831 | S | S | * | * | trans | -115.1 | 116.2 | 174.1 | 34.1 | -20.3 | 0 | 0 | 0 | 111.4 | ||||
| 360 | Y | 35.1 | Very low | 38.8 | Very low | 211 Ų | 211 | 143.2 Ų | 143.2 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -172.5 | 102.5 | 156.5 | -96.7 | -75.3 | 0 | 0 | 0 | 105.9 | ||||
| 361 | Q | 36.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | 100.8 | 130 | 79.6 | -96.6 | -165.7 | -22.6 | 0 | 0 | 112.5 | |||||
| 362 | D | 36.8 | Very low | 39.5 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -40.3 | 138.6 | 164.8 | -67 | -58.9 | 0 | 0 | 0 | 114.5 | ||||
| 363 | A | 35.7 | Very low | 39.9 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | 170.3 | 119.9 | 122.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 364 | C | 33.4 | Very low | 40.1 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -173 | 100.9 | 137.5 | -101.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 365 | S | 38 | Very low | 39.7 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -87.7 | 159.1 | 164.6 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 366 | A | 37.7 | Very low | 39.3 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 90.3 | 162.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 367 | P | 57.2 | Low | 39.2 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 83% | 0.832 | S | S | * | * | -135.3 | 179.5 | -51.4 | 34.6 | -17.6 | 0 | 0 | 0 | 113 | |||||
| 368 | Y | 40.8 | Very low | 39.3 | Very low | 301 Ų | 301 | 150.6 Ų | 150.6 | 100% | 1.18 | 84% | 0.835 | S | S | * | * | trans | 90.2 | 0 | 174.6 | -68.7 | -79.3 | 0 | 0 | 0 | 118.2 |
Retrieved 368 of 368 residues in 321.1 ms
(Link to these results)