| 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 | 38 | Very low | 38.9 | Very low | 252 Ų | 252 | 160.5 Ų | 160.5 | 100% | 1.241 | 85% | 0.849 | S | S | * | * | 0 | 124.5 | 0 | -101.2 | 174.6 | -97.9 | 0 | 0 | 107.6 | |||||
| 2 | A | 34.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -89.8 | 157.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3 | G | 35.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 162.5 Ų | 162.5 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | trans | 118.5 | 137.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 4 | I | 45.2 | Very low | 39.9 | Very low | 161 Ų | 161 | 165.6 Ų | 165.6 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | cis | -155.4 | 148.3 | 7.3 | -85.9 | 154.7 | 0 | 0 | 0 | 107.6 | ||||
| 5 | F | 39 | Very low | 40 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | trans | -66.5 | 145.6 | 172.7 | -82.6 | -111.3 | 0 | 0 | 0 | 113.6 | F7 | F5-F7 HydrophobicContact CD1-CD2 4.05Å; F5-F7 AromaticContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CE1-CE2 4.01Å | ||
| 6 | Y | 34.6 | Very low | 40.8 | Very low | 227 Ų | 227 | 158.6 Ų | 158.6 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -143.1 | 117.6 | 138.9 | -98 | -80.2 | 0 | 0 | 0 | 110.6 | ||||
| 7 | F | 40.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 156.4 Ų | 156.4 | 69% | 0.689 | 84% | 0.836 | S | S | * | * | trans | -69.1 | 133.1 | 166.9 | -92 | -103.7 | 0 | 0 | 0 | 109.9 | F5 L9 | F5-F7 HydrophobicContact CD1-CD2 4.05Å; F5-F7 AromaticContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CD1-CE2 3.89Å; F5-F7 HydrophobicContact CE1-CE2 4.01Å; F7-L9 HydrophobicContact CD1-CD1 4.23Å | ||
| 8 | I | 48.5 | Very low | 41.6 | Very low | 171 Ų | 171 | 155 Ų | 155 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -128.9 | 124.2 | 145.8 | -61.5 | -169.9 | 0 | 0 | 0 | 108.2 | ||||
| 9 | L | 37.7 | Very low | 42 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 73% | 0.728 | 82% | 0.824 | S | S | * | * | trans | -71.7 | 137.3 | -170.6 | -114 | 85.3 | 0 | 0 | 0 | 113.2 | F7 | F7-L9 HydrophobicContact CD1-CD1 4.23Š| ||
| 10 | F | 37.7 | Very low | 42.4 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 79% | 0.789 | 82% | 0.816 | S | S | * | * | trans | 8.6 | 130.3 | 141.7 | -91.9 | -98.5 | 0 | 0 | 0 | 119.8 | ||||
| 11 | S | 36.3 | Very low | 42.7 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -161.7 | 82.8 | 133.2 | -72.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | F | 44.8 | Very low | 43.1 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 77% | 0.772 | 80% | 0.796 | S | S | * | * | trans | -93.4 | 132.3 | 150 | -92 | -87.1 | 0 | 0 | 0 | 106.5 | ||||
| 13 | L | 38.6 | Very low | 43.8 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | 178.2 | 140.4 | 119.1 | -102.9 | 128.1 | 0 | 0 | 0 | 111.8 | |||||
| 14 | F | 47.2 | Very low | 44.8 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -52 | 149.5 | 178.9 | -80.5 | -105.1 | 0 | 0 | 0 | 115.4 | ||||
| 15 | G | 41.7 | Very low | 45.3 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 146.3 | 124.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | I | 52.8 | Low | 46.2 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | cis | -154.8 | 151.1 | 19.2 | -55.8 | 172.2 | 0 | 0 | 0 | 105.8 | D18 | I16-D18 PolarHBondContact O-N 2.84Š| ||
| 17 | C | 51.3 | Low | 47.6 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -70.1 | 102.6 | 167.3 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | D | 44.3 | Very low | 48.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | -112.2 | 103.4 | 163.8 | -76.9 | -35.9 | 0 | 0 | 0 | 109.5 | I16 V20 | I16-D18 PolarHBondContact O-N 2.84Å; D18-V20 HydrophobicContact CB-CG2 4.3Å; D18-V20 PolarHBondContact O-N 3.48Å | ||
| 19 | A | 50.2 | Low | 49.6 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 87.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T21 | A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.17Å | ||
| 20 | V | 49.4 | Very low | 51.8 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 67% | 0.673 | 73% | 0.726 | S | S | * | * | trans | -80.7 | 91.8 | 167.9 | -171.2 | 0 | 0 | 0 | 0 | 107.7 | D18 G22 | D18-V20 HydrophobicContact CB-CG2 4.3Å; D18-V20 PolarHBondContact O-N 3.48Å; V20-G22 PolarHBondContact O-N 3.22Å | ||
| 21 | T | 49.2 | Very low | 54.2 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | -33.8 | 131.9 | 160.3 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | A19 S23 | A19-T21 VanDerWaalsContact C-N 3.33Å; A19-T21 PolarHBondContact O-N 3.17Å; T21-S23 PolarHBondContact O-N 2.99Å | ||
| 22 | G | 46.7 | Very low | 56.8 | Low | 84 Ų | 84 | 113 Ų | 113 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | trans | -47.8 | 98 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V20 R24 | V20-G22 PolarHBondContact O-N 3.22Å; G22-R24 PolarHBondContact O-N 2.76Å | ||
| 23 | S | 48.1 | Very low | 59.1 | Low | 85 Ų | 85 | 104.8 Ų | 104.8 | 59% | 0.594 | 63% | 0.63 | S | S | * | * | trans | -78.1 | 114.4 | 164.5 | 22.1 | 0 | 0 | 0 | 0 | 107.6 | T21 V25 | T21-S23 PolarHBondContact O-N 2.99Å; S23-V25 PolarHBondContact O-N 3.45Å | ||
| 24 | R | 57.3 | Low | 61.8 | Low | 199 Ų | 199 | 98.5 Ų | 98.5 | 75% | 0.751 | 60% | 0.6 | S | S | * | * | trans | -58.7 | 111.7 | 167 | -74.2 | -177.1 | 177.3 | -175.3 | -1.8 | 107.7 | G22 Y26 | G22-R24 PolarHBondContact O-N 2.76Å; R24-Y26 HydrophobicContact CB-CE2 4.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 WeakPolarHBondContact O-CE2 3.44Å; R24-Y26 PolarHBondContact O-N 2.84Å | ||
| 25 | V | 55.7 | Low | 64.2 | Low | 137 Ų | 137 | 89.7 Ų | 89.7 | 83% | 0.83 | 57% | 0.565 | S | S | * | * | trans | -74.1 | 104.9 | 172.2 | -178 | 0 | 0 | 0 | 0 | 106.8 | S23 | S23-V25 PolarHBondContact O-N 3.45Š| ||
| 26 | Y | 58.3 | Low | 66.8 | Low | 67 Ų | 67 | 86.6 Ų | 86.6 | 26% | 0.263 | 53% | 0.532 | S | S | . | . | trans | -70.4 | 150.4 | 169.1 | -64 | -82.9 | 0 | 0 | 0 | 108.7 | R24 A28 V123 Y126 | R24-Y26 HydrophobicContact CB-CE2 4.23Å; R24-Y26 WeakPolarHBondContact O-CD2 3.4Å; R24-Y26 WeakPolarHBondContact O-CE2 3.44Å; R24-Y26 PolarHBondContact O-N 2.84Å; Y26-A28 PolarHBondContact O-N 2.8Å; Y26-V123 HydrophobicContact CD1-CG1 3.43Å; Y26-V123 VanDerWaalsContact CD1-CG1 3.43Å; Y26-V123 HydrophobicContact CD2-CG1 3.52Å; Y26-V123 HydrophobicContact CE1-CG1 3.53Å; Y26-V123 HydrophobicContact CE2-CG1 3.63Å; Y26-V123 HydrophobicContact CG-CG1 3.44Å; Y26-V123 VanDerWaalsContact CG-CG1 3.44Å; Y26-Y126 HydrophobicContact CD2-CD2 4.45Å; Y26-Y126 AromaticContact CE2-CD2 3.54Å; Y26-Y126 HydrophobicContact CE2-CD2 3.54Å; Y26-Y126 AromaticContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CE2 3.46Å; Y26-Y126 VanDerWaalsContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CG 4.43Å; Y26-Y126 AromaticContact CZ-CE2 3.57Å; Y26-Y126 WeakPolarHBondContact OH-CE2 3.39Å; Y26-Y126 PolarHBondContact OH-OH 3.13Å | ||
| 27 | P | 62.8 | Low | 69 | Low | 73 Ų | 73 | 82.9 Ų | 82.9 | 47% | 0.474 | 51% | 0.514 | S | S | . | . | trans | -51.8 | 142 | 174.5 | -18.9 | 29.1 | 0 | 0 | 0 | 109.5 | N29 E30 | P27-N29 PolarHBondContact O-N 2.81Å; P27-E30 HydrophobicContact CB-CG 4.4Å; P27-E30 HydrophobicContact CG-CG 4.2Å; P27-E30 PolarHBondContact O-N 2.83Å | ||
| 28 | A | 62 | Low | 71.2 | Confident | 110 Ų | 110 | 82.5 Ų | 82.5 | 91% | 0.909 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -8.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y26 | Y26-A28 PolarHBondContact O-N 2.8Š|
| 29 | N | 69 | Low | 73.7 | Confident | 149 Ų | 149 | 77.9 Ų | 77.9 | 80% | 0.797 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.5 | 179.5 | -62.8 | -18 | 0 | 0 | 0 | 113.9 | P27 | P27-N29 PolarHBondContact O-N 2.81Š|
| 30 | E | 84 | Confident | 76 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 31% | 0.313 | 47% | 0.47 | S | S | . | . | trans | -101.9 | 130 | 178.5 | -67.1 | -172.8 | -172.3 | 0 | 0 | 111.8 | P27 G59 R61 | P27-E30 HydrophobicContact CB-CG 4.4Å; P27-E30 HydrophobicContact CG-CG 4.2Å; P27-E30 PolarHBondContact O-N 2.83Å; E30-G59 WeakPolarHBondContact CA-O 3.42Å; E30-R61 HydrophobicContact CG-CG 4.18Å; E30-R61 WeakPolarHBondContact OE2-CD 3.42Å; E30-R61 IonicContact OE2-CZ 3.85Å; E30-R61 IonicContact OE2-NE 3.84Å; E30-R61 IonicContact OE2-NH1 3.58Å; E30-R61 PolarHBondContact OE2-NH1 3.37Å | ||
| 31 | G | 88 | Confident | 78.3 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | trans | -138.1 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G59 N121 V123 | G31-G59 PolarHBondContact N-O 3.41Å; G31-G59 WeakPolarHBondContact O-CA 3.45Å; G31-N121 PolarHBondContact O-ND2 2.88Å; G31-V123 VanDerWaalsContact O-CG2 3.25Å; G31-V123 WeakPolarHBondContact O-CG2 3.42Å | ||
| 32 | P | 91.3 | Very high | 80.6 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 22% | 0.221 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -63 | 153.9 | 165 | 27 | -31.9 | 0 | 0 | 0 | 110.7 | Q132 | P32-Q132 HydrophobicContact CB-CG 4.12Š|
| 33 | P | 94.1 | Very high | 83 | Confident | 4 Ų | 4 | 72.6 Ų | 72.6 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 160.8 | 175.5 | 33.6 | -34.7 | 0 | 0 | 0 | 110.7 | P55 N57 A119 S124 Q132 | P33-P55 HydrophobicContact CB-CB 4.43Å; P33-P55 HydrophobicContact CB-CG 4.28Å; P33-N57 CarbonylContact C-O 3.5Å; P33-N57 VanDerWaalsContact CA-O 3.27Å; P33-N57 WeakPolarHBondContact CA-O 3.31Å; P33-A119 HydrophobicContact CB-CB 4.13Å; P33-A119 HydrophobicContact CG-CB 3.7Å; P33-A119 VanDerWaalsContact CG-O 3.27Å; P33-A119 WeakPolarHBondContact CG-O 3.23Å; P33-S124 WeakPolarHBondContact CD-OG 3.24Å; P33-Q132 WeakPolarHBondContact O-CG 3.44Å |
| 34 | S | 94.9 | Very high | 85.2 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -73 | 173.8 | 165.7 | 67.9 | 0 | 0 | 0 | 0 | 111 | P55 Q56 N57 D131 | S34-P55 VanDerWaalsContact O-CB 3.25Å; S34-P55 WeakPolarHBondContact O-CB 3.37Å; S34-P55 VanDerWaalsContact O-CG 3.28Å; S34-P55 WeakPolarHBondContact O-CG 3.35Å; S34-P55 WeakPolarHBondContact OG-CB 3.17Å; S34-Q56 PolarHBondContact OG-N 3.41Å; S34-N57 PolarHBondContact N-O 3.09Å; S34-N57 PolarHBondContact OG-N 3.16Å; S34-N57 PolarHBondContact OG-O 2.93Å; S34-D131 CarbonylContact C-O 3.6Å |
| 35 | A | 96.9 | Very high | 86.9 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 147.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P55 D131 S133 V134 | A35-P55 WeakPolarHBondContact O-CA 3.42Å; A35-D131 WeakPolarHBondContact CB-O 3.4Å; A35-D131 PolarHBondContact N-O 3.07Å; A35-S133 WeakPolarHBondContact CB-O 3.46Å; A35-V134 HydrophobicContact CB-CB 4.39Å |
| 36 | P | 97.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 153.3 | 165 | -18.8 | 27.7 | 0 | 0 | 0 | 111.9 | W52 Y66 I117 A119 V134 | P36-W52 HydrophobicContact CB-CB 4.26Å; P36-W52 HydrophobicContact CB-CG 4.14Å; P36-Y66 HydrophobicContact CB-CE1 4.48Å; P36-Y66 HydrophobicContact CG-CD1 4.09Å; P36-Y66 HydrophobicContact CG-CE1 4.09Å; P36-I117 HydrophobicContact CG-CB 4.41Å; P36-I117 HydrophobicContact CG-CG2 3.88Å; P36-A119 HydrophobicContact CG-CB 4.08Å; P36-V134 HydrophobicContact CB-CG1 3.95Å; P36-V134 HydrophobicContact CG-CG1 4.11Å; P36-V134 WeakPolarHBondContact O-CG1 3.11Å |
| 37 | L | 97.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 37% | 0.372 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 163.9 | -179.7 | -61.2 | 178.2 | 0 | 0 | 0 | 111.3 | L39 S53 Q56 | L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.04Å; L37-S53 PolarHBondContact N-O 2.93Å; L37-S53 VanDerWaalsContact N-O 3.09Å; L37-S53 PolarHBondContact O-N 2.92Å; L37-Q56 HydrophobicContact CD1-CB 4.16Å |
| 38 | N | 97.2 | Very high | 92.3 | Very high | 114 Ų | 114 | 57.9 Ų | 57.9 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 47.2 | 170.5 | -53.1 | -38.4 | 0 | 0 | 0 | 113.5 | I40 S53 | N38-I40 PolarHBondContact O-N 3.46Å; N38-S53 PolarHBondContact ND2-OG 2.98Å |
| 39 | L | 97.9 | Very high | 94 | Very high | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 115.9 | 176.5 | 177.7 | 61.7 | 0 | 0 | 0 | 109.8 | L37 L50 W52 I117 V134 V136 | L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.04Å; L39-L50 HydrophobicContact CD1-CB 4.47Å; L39-L50 HydrophobicContact CD1-CD2 4.45Å; L39-W52 HydrophobicContact CD1-CB 4.23Å; L39-W52 HydrophobicContact CD1-CE3 4.28Å; L39-I117 HydrophobicContact CD1-CD1 3.72Å; L39-I117 HydrophobicContact CD1-CG1 3.98Å; L39-I117 HydrophobicContact CD2-CD1 3.56Å; L39-I117 HydrophobicContact CD2-CG1 4.46Å; L39-I117 HydrophobicContact CG-CD1 4.31Å; L39-V134 HydrophobicContact CB-CG1 4.09Å; L39-V134 HydrophobicContact CB-CG2 4.28Å; L39-V134 HydrophobicContact CD2-CG1 4.02Å; L39-V134 HydrophobicContact CD2-CG2 4.23Å; L39-V136 HydrophobicContact CD2-CB 3.68Å; L39-V136 HydrophobicContact CD2-CG1 3.7Å; L39-V136 HydrophobicContact CG-CB 4.28Å; L39-V136 HydrophobicContact CG-CG1 4.22Å |
| 40 | I | 97.6 | Very high | 95.4 | Very high | 111 Ų | 111 | 48 Ų | 48 | 57% | 0.569 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141 | 177.6 | -60.7 | 168.2 | 0 | 0 | 0 | 108.2 | N38 L50 E51 | N38-I40 PolarHBondContact O-N 3.46Å; I40-L50 WeakPolarHBondContact O-CA 3.36Å; I40-E51 PolarHBondContact N-O 3.15Å; I40-E51 PolarHBondContact O-N 3.21Å |
| 41 | S | 97.5 | Very high | 96.1 | Very high | 41 Ų | 41 | 50 Ų | 50 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 110.5 | N49 V138 | S41-N49 WeakPolarHBondContact CA-O 3.31Å; S41-V138 VanDerWaalsContact OG-CG1 3.29Å; S41-V138 WeakPolarHBondContact OG-CG1 3.44Å |
| 42 | N | 97.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.4 | 171.6 | -177.3 | -49.6 | 0 | 0 | 0 | 108.1 | V48 N49 | N42-V48 CarbonylContact O-C 3.56Å; N42-V48 WeakPolarHBondContact O-CA 3.24Å; N42-N49 HydrophobicContact CB-CB 4.35Å; N42-N49 PolarHBondContact N-O 3.05Å; N42-N49 PolarHBondContact O-N 3.28Å |
| 43 | V | 96.9 | Very high | 97 | Very high | 37 Ų | 37 | 50 Ų | 50 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.3 | -165.2 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | V48 V138 T139 T140 N141 | V43-V48 HydrophobicContact CG1-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.31Å; V43-V138 HydrophobicContact CG2-CB 3.78Å; V43-V138 HydrophobicContact CG2-CG1 3.87Å; V43-V138 HydrophobicContact CG2-CG2 4.27Å; V43-T139 WeakPolarHBondContact CG1-O 3.27Å; V43-T140 HydrophobicContact CG1-CG2 4.42Å; V43-N141 PolarHBondContact O-ND2 3.43Å |
| 44 | N | 94.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | trans | -120.2 | -171 | 171.8 | -157.9 | -4.7 | 0 | 0 | 0 | 110.2 | S47 N141 | N44-S47 WeakPolarHBondContact CB-OG 3.49Å; N44-S47 PolarHBondContact N-O 2.91Å; N44-N141 PolarHBondContact O-N 2.86Å; N44-N141 VanDerWaalsContact O-N 3.07Å | ||
| 45 | E | 93.5 | Very high | 97.1 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -57.4 | -48.7 | 178.5 | -63.3 | 178.3 | -162.6 | 0 | 0 | 112.9 | A109 T140 N141 A143 | E45-A109 VanDerWaalsContact O-CA 3.31Å; E45-A109 WeakPolarHBondContact O-CA 3.36Å; E45-T140 WeakPolarHBondContact O-CB 3.32Å; E45-N141 HydrophobicContact CG-CB 4.26Å; E45-A143 HydrophobicContact CB-CB 4.21Å; E45-A143 HydrophobicContact CG-CB 4.41Å; E45-A143 WeakPolarHBondContact OE2-CB 3.37Å |
| 46 | T | 94.9 | Very high | 97 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -131.4 | 12.3 | -175.3 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | D106 L107 | T46-D106 PolarHBondContact O-N 2.99Å; T46-D106 VanDerWaalsContact O-N 3.15Å; T46-L107 VanDerWaalsContact CB-O 3.24Å; T46-L107 WeakPolarHBondContact CB-O 3.28Å; T46-L107 VanDerWaalsContact CG2-O 3.31Å; T46-L107 WeakPolarHBondContact CG2-O 3.09Å; T46-L107 WeakPolarHBondContact O-CB 3.27Å; T46-L107 PolarHBondContact O-N 2.82Å |
| 47 | S | 96.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | trans | -140.4 | 152.2 | -178.6 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | N44 I104 | N44-S47 WeakPolarHBondContact CB-OG 3.49Å; N44-S47 PolarHBondContact N-O 2.91Å; S47-I104 CarbonylContact C-O 3.59Å; S47-I104 WeakPolarHBondContact CA-O 3.32Å; S47-I104 VanDerWaalsContact CB-O 3.23Å; S47-I104 WeakPolarHBondContact CB-O 3.45Å | ||
| 48 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 126.5 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 108 | N42 V43 L50 I104 L107 F115 V138 T140 | N42-V48 CarbonylContact O-C 3.56Å; N42-V48 WeakPolarHBondContact O-CA 3.24Å; V43-V48 HydrophobicContact CG1-CG2 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.31Å; V48-L50 HydrophobicContact CG1-CD2 3.78Å; V48-L50 HydrophobicContact CG1-CG 4.07Å; V48-I104 PolarHBondContact N-O 2.89Å; V48-I104 VanDerWaalsContact O-CD1 3.28Å; V48-I104 WeakPolarHBondContact O-CD1 3.25Å; V48-I104 PolarHBondContact O-N 2.82Å; V48-L107 HydrophobicContact CB-CD1 4.06Å; V48-L107 HydrophobicContact CG2-CD1 3.56Å; V48-F115 HydrophobicContact CB-CE2 4.11Å; V48-F115 HydrophobicContact CB-CZ 4.28Å; V48-F115 HydrophobicContact CG1-CD2 4.41Å; V48-F115 HydrophobicContact CG1-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CZ 4.34Å; V48-V138 HydrophobicContact CG1-CG2 4.39Å; V48-V138 HydrophobicContact CG2-CG2 3.97Å; V48-T140 HydrophobicContact CG2-CG2 4.34Å |
| 49 | N | 98.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125 | 170.3 | -63.5 | -54 | 0 | 0 | 0 | 108.6 | S41 N42 S103 | S41-N49 WeakPolarHBondContact CA-O 3.31Å; N42-N49 HydrophobicContact CB-CB 4.35Å; N42-N49 PolarHBondContact N-O 3.05Å; N42-N49 PolarHBondContact O-N 3.28Å; N49-S103 VanDerWaalsContact OD1-CB 3.24Å; N49-S103 WeakPolarHBondContact OD1-CB 3.39Å; N49-S103 PolarHBondContact OD1-OG 2.85Å |
| 50 | L | 98.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.7 | 176.9 | -60.6 | 174 | 0 | 0 | 0 | 109.5 | L39 I40 V48 W52 V68 R101 V102 I104 F115 I117 V136 | L39-L50 HydrophobicContact CD1-CB 4.47Å; L39-L50 HydrophobicContact CD1-CD2 4.45Å; I40-L50 WeakPolarHBondContact O-CA 3.36Å; V48-L50 HydrophobicContact CG1-CD2 3.78Å; V48-L50 HydrophobicContact CG1-CG 4.07Å; L50-W52 HydrophobicContact CB-CE3 4.3Å; L50-W52 HydrophobicContact CB-CZ3 3.98Å; L50-V68 HydrophobicContact CD1-CG1 4.41Å; L50-R101 VanDerWaalsContact O-CA 3.26Å; L50-R101 WeakPolarHBondContact O-CA 3.39Å; L50-V102 HydrophobicContact CB-CG1 3.92Å; L50-V102 HydrophobicContact CD1-CG1 4.15Å; L50-V102 HydrophobicContact CG-CG1 4.42Å; L50-V102 PolarHBondContact N-O 3.36Å; L50-V102 PolarHBondContact O-N 3.03Å; L50-I104 HydrophobicContact CB-CD1 4.5Å; L50-I104 HydrophobicContact CD1-CD1 3.64Å; L50-I104 HydrophobicContact CG-CD1 3.82Å; L50-F115 HydrophobicContact CD1-CB 3.65Å; L50-F115 HydrophobicContact CD1-CD1 4.08Å; L50-F115 HydrophobicContact CD1-CD2 4.37Å; L50-F115 HydrophobicContact CD1-CG 3.79Å; L50-I117 HydrophobicContact CD1-CD1 4.03Å; L50-V136 HydrophobicContact CD2-CG1 3.88Å |
| 51 | E | 98.4 | Very high | 95.1 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 140.5 | 174.5 | -171.5 | 168.5 | 170.9 | 0 | 0 | 109.4 | I40 T100 | I40-E51 PolarHBondContact N-O 3.15Å; I40-E51 PolarHBondContact O-N 3.21Å; E51-T100 WeakPolarHBondContact CA-O 3.13Å |
| 52 | W | 98.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 2% | 0.023 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 176.1 | 179.9 | 58.5 | 92.5 | 0 | 0 | 0 | 111 | P36 L39 L50 Y66 V68 L97 T100 V102 I117 | P36-W52 HydrophobicContact CB-CB 4.26Å; P36-W52 HydrophobicContact CB-CG 4.14Å; L39-W52 HydrophobicContact CD1-CB 4.23Å; L39-W52 HydrophobicContact CD1-CE3 4.28Å; L50-W52 HydrophobicContact CB-CE3 4.3Å; L50-W52 HydrophobicContact CB-CZ3 3.98Å; W52-Y66 AromaticContact CD1-CE1 3.91Å; W52-Y66 AromaticContact CE2-CG 3.85Å; W52-Y66 HydrophobicContact CZ2-CD1 4.43Å; W52-Y66 HydrophobicContact CZ2-CD2 4.04Å; W52-Y66 AromaticContact CZ2-CG 3.79Å; W52-Y66 HydrophobicContact CZ2-CG 3.79Å; W52-Y66 AromaticContact NE1-CD1 3.27Å; W52-Y66 VanDerWaalsContact NE1-CD1 3.27Å; W52-Y66 AromaticContact NE1-CD2 3.57Å; W52-Y66 AromaticContact NE1-CE1 3.39Å; W52-Y66 AromaticContact NE1-CE2 3.7Å; W52-Y66 AromaticContact NE1-CG 3.36Å; W52-Y66 AromaticContact NE1-CZ 3.62Å; W52-V68 HydrophobicContact CH2-CG2 4.45Å; W52-L97 HydrophobicContact CH2-CD2 4.24Å; W52-T100 PolarHBondContact N-O 2.93Å; W52-T100 WeakPolarHBondContact O-CB 3.43Å; W52-T100 PolarHBondContact O-OG1 2.03Å; W52-V102 HydrophobicContact CH2-CB 4.27Å; W52-V102 HydrophobicContact CH2-CG1 4.04Å; W52-V102 HydrophobicContact CZ3-CB 4.47Å; W52-V102 HydrophobicContact CZ3-CG1 3.9Å; W52-I117 HydrophobicContact CD2-CG2 3.84Å; W52-I117 HydrophobicContact CE3-CG1 4.1Å; W52-I117 HydrophobicContact CE3-CG2 4.19Å; W52-I117 HydrophobicContact CG-CG2 4.33Å; W52-I117 HydrophobicContact CH2-CG2 4.31Å; W52-I117 HydrophobicContact CZ2-CG2 3.96Å; W52-I117 HydrophobicContact CZ3-CG1 4.23Å; W52-I117 HydrophobicContact CZ3-CG2 4.42Å |
| 53 | S | 98.1 | Very high | 94.6 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 158.3 | 173.8 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | L37 N38 | L37-S53 PolarHBondContact N-O 2.93Å; L37-S53 VanDerWaalsContact N-O 3.09Å; L37-S53 PolarHBondContact O-N 2.92Å; N38-S53 PolarHBondContact ND2-OG 2.98Å |
| 54 | S | 96.1 | Very high | 94.5 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | trans | -55.4 | 147.1 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 55 | P | 96.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.045 | 31% | 0.306 | C | S | . | . | trans | -53.3 | 148.6 | 170.3 | -27.9 | 36 | 0 | 0 | 0 | 112.8 | P33 S34 A35 N57 Y66 A119 | P33-P55 HydrophobicContact CB-CB 4.43Å; P33-P55 HydrophobicContact CB-CG 4.28Å; S34-P55 VanDerWaalsContact O-CB 3.25Å; S34-P55 WeakPolarHBondContact O-CB 3.37Å; S34-P55 VanDerWaalsContact O-CG 3.28Å; S34-P55 WeakPolarHBondContact O-CG 3.35Å; S34-P55 WeakPolarHBondContact OG-CB 3.17Å; A35-P55 WeakPolarHBondContact O-CA 3.42Å; P55-N57 VanDerWaalsContact C-N 3.32Å; P55-Y66 WeakPolarHBondContact CD-OH 3.32Å; P55-Y66 HydrophobicContact CG-CE1 4.45Å; P55-A119 HydrophobicContact CG-CB 3.58Å | ||
| 56 | Q | 94.6 | Very high | 94.8 | Very high | 171 Ų | 171 | 51.7 Ų | 51.7 | 80% | 0.799 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -63.6 | -39.7 | 173.7 | -170.5 | 176.2 | 3.8 | 0 | 0 | 111.8 | S34 L37 | S34-Q56 PolarHBondContact OG-N 3.41Å; L37-Q56 HydrophobicContact CD1-CB 4.16Å |
| 57 | N | 92.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | trans | -118.9 | 121.9 | 177.2 | -173.7 | -5.9 | 0 | 0 | 0 | 109.5 | P33 S34 P55 G59 | P33-N57 CarbonylContact C-O 3.5Å; P33-N57 VanDerWaalsContact CA-O 3.27Å; P33-N57 WeakPolarHBondContact CA-O 3.31Å; S34-N57 PolarHBondContact N-O 3.09Å; S34-N57 PolarHBondContact OG-N 3.16Å; S34-N57 PolarHBondContact OG-O 2.93Å; P55-N57 VanDerWaalsContact C-N 3.32Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact OD1-N 3.47Å | ||
| 58 | T | 91.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 28% | 0.276 | 28% | 0.275 | S | S | . | . | trans | -87.9 | -2.6 | 179.1 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | G60 R61 I64 N121 | T58-G60 VanDerWaalsContact C-N 3.29Å; T58-R61 VanDerWaalsContact CB-O 3.26Å; T58-R61 WeakPolarHBondContact CB-O 3.34Å; T58-R61 PolarHBondContact OG1-O 2.88Å; T58-R61 VanDerWaalsContact OG1-O 3.11Å; T58-I64 HydrophobicContact CG2-CD1 3.26Å; T58-N121 PolarHBondContact O-ND2 3.15Å | ||
| 59 | G | 88 | Confident | 94.8 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 28.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E30 G31 N57 R61 | E30-G59 WeakPolarHBondContact CA-O 3.42Å; G31-G59 PolarHBondContact N-O 3.41Å; G31-G59 WeakPolarHBondContact O-CA 3.45Å; N57-G59 VanDerWaalsContact C-N 3.31Å; N57-G59 PolarHBondContact OD1-N 3.47Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 2.85Å |
| 60 | G | 87 | Confident | 94.7 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T58 | T58-G60 VanDerWaalsContact C-N 3.29Š|
| 61 | R | 88.4 | Confident | 94.5 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | trans | -124.3 | 162 | -178.7 | -64.2 | -140.5 | -63.2 | -76.8 | -12.6 | 114.3 | E30 T58 G59 D63 N121 G122 | E30-R61 HydrophobicContact CG-CG 4.18Å; E30-R61 WeakPolarHBondContact OE2-CD 3.42Å; E30-R61 IonicContact OE2-CZ 3.85Å; E30-R61 IonicContact OE2-NE 3.84Å; E30-R61 IonicContact OE2-NH1 3.58Å; E30-R61 PolarHBondContact OE2-NH1 3.37Å; T58-R61 VanDerWaalsContact CB-O 3.26Å; T58-R61 WeakPolarHBondContact CB-O 3.34Å; T58-R61 PolarHBondContact OG1-O 2.88Å; T58-R61 VanDerWaalsContact OG1-O 3.11Å; G59-R61 VanDerWaalsContact C-N 3.31Å; G59-R61 PolarHBondContact O-N 2.85Å; R61-D63 WeakPolarHBondContact CB-OD1 3.49Å; R61-D63 IonicContact CZ-OD1 3.72Å; R61-D63 IonicContact NE-OD1 3.96Å; R61-D63 PolarHBondContact NE-OD1 2.65Å; R61-D63 IonicContact NE-OD2 2.92Å; R61-D63 IonicContact NH2-OD1 2.74Å; R61-D63 IonicContact NH2-OD2 3.81Å; R61-N121 PolarHBondContact NH2-OD1 2.94Å; R61-G122 VanDerWaalsContact NH2-C 3.27Å; R61-G122 VanDerWaalsContact NH2-CA 3.29Å | ||
| 62 | Q | 90.4 | Very high | 94.2 | Very high | 197 Ų | 197 | 52.1 Ų | 52.1 | 92% | 0.921 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -110.8 | -4.6 | -178.3 | -62.1 | -177.7 | -2.4 | 0 | 0 | 112.7 | I64 | Q62-I64 PolarHBondContact O-N 2.86Š|
| 63 | D | 93.6 | Very high | 93.6 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -79.8 | 24.7 | -179.1 | 67.8 | -40.6 | 0 | 0 | 0 | 113.3 | R61 K98 G122 | R61-D63 WeakPolarHBondContact CB-OD1 3.49Å; R61-D63 IonicContact CZ-OD1 3.72Å; R61-D63 IonicContact NE-OD1 3.96Å; R61-D63 PolarHBondContact NE-OD1 2.65Å; R61-D63 IonicContact NE-OD2 2.92Å; R61-D63 IonicContact NH2-OD1 2.74Å; R61-D63 IonicContact NH2-OD2 3.81Å; D63-K98 PolarHBondContact O-NZ 2.83Å; D63-G122 WeakPolarHBondContact OD2-CA 3.36Å; D63-G122 PolarHBondContact OD2-N 3.19Å | ||
| 64 | I | 94.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | trans | -63.7 | 140.5 | -176.7 | -57.5 | 166.5 | 0 | 0 | 0 | 110.4 | T58 Q62 Y66 K98 V120 | T58-I64 HydrophobicContact CG2-CD1 3.26Å; Q62-I64 PolarHBondContact O-N 2.86Å; I64-Y66 HydrophobicContact CG2-CE1 4.28Å; I64-K98 WeakPolarHBondContact O-CD 3.46Å; I64-K98 PolarHBondContact O-NZ 2.79Å; I64-V120 CarbonylContact C-O 3.59Å; I64-V120 WeakPolarHBondContact CA-O 3.42Å | ||
| 65 | S | 97.1 | Very high | 91 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 167.3 | 165.9 | 43.7 | 0 | 0 | 0 | 0 | 110.1 | L97 V120 | S65-L97 CarbonylContact C-O 3.59Å; S65-L97 WeakPolarHBondContact CA-O 3.27Å; S65-L97 WeakPolarHBondContact CB-O 3.46Å; S65-V120 PolarHBondContact N-O 3.43Å; S65-V120 WeakPolarHBondContact O-CG2 3.27Å; S65-V120 PolarHBondContact O-N 2.83Å; S65-V120 WeakPolarHBondContact OG-CG2 3.45Å |
| 66 | Y | 97.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.6 | -179.9 | -51.2 | -83.2 | 0 | 0 | 0 | 111.6 | P36 W52 P55 I64 G96 L97 T100 I117 W118 A119 | P36-Y66 HydrophobicContact CB-CE1 4.48Å; P36-Y66 HydrophobicContact CG-CD1 4.09Å; P36-Y66 HydrophobicContact CG-CE1 4.09Å; W52-Y66 AromaticContact CD1-CE1 3.91Å; W52-Y66 AromaticContact CE2-CG 3.85Å; W52-Y66 HydrophobicContact CZ2-CD1 4.43Å; W52-Y66 HydrophobicContact CZ2-CD2 4.04Å; W52-Y66 AromaticContact CZ2-CG 3.79Å; W52-Y66 HydrophobicContact CZ2-CG 3.79Å; W52-Y66 AromaticContact NE1-CD1 3.27Å; W52-Y66 VanDerWaalsContact NE1-CD1 3.27Å; W52-Y66 AromaticContact NE1-CD2 3.57Å; W52-Y66 AromaticContact NE1-CE1 3.39Å; W52-Y66 AromaticContact NE1-CE2 3.7Å; W52-Y66 AromaticContact NE1-CG 3.36Å; W52-Y66 AromaticContact NE1-CZ 3.62Å; P55-Y66 WeakPolarHBondContact CD-OH 3.32Å; P55-Y66 HydrophobicContact CG-CE1 4.45Å; I64-Y66 HydrophobicContact CG2-CE1 4.28Å; Y66-G96 PolarHBondContact O-N 2.88Å; Y66-G96 VanDerWaalsContact O-N 3.11Å; Y66-L97 WeakPolarHBondContact CD2-O 3.37Å; Y66-L97 PolarHBondContact N-O 2.84Å; Y66-L97 VanDerWaalsContact O-CD1 3.25Å; Y66-L97 WeakPolarHBondContact O-CD1 3.12Å; Y66-L97 PolarHBondContact O-N 2.92Å; Y66-T100 HydrophobicContact CE2-CG2 3.88Å; Y66-I117 HydrophobicContact CD1-CG2 4.32Å; Y66-W118 CarbonylContact C-O 3.32Å; Y66-W118 WeakPolarHBondContact CA-O 3.23Å; Y66-A119 HydrophobicContact CD1-CB 4.18Å; Y66-A119 HydrophobicContact CE1-CB 4.06Å |
| 67 | N | 97.3 | Very high | 88 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.6 | 172 | -62.6 | -23.1 | 0 | 0 | 0 | 109.4 | N95 G96 W118 | N67-N95 WeakPolarHBondContact CB-OD1 3.37Å; N67-N95 WeakPolarHBondContact OD1-CA 3.44Å; N67-G96 PolarHBondContact OD1-N 2.87Å; N67-W118 HydrophobicContact CB-CB 4.32Å; N67-W118 PolarHBondContact N-O 3.18Å; N67-W118 PolarHBondContact O-N 3.17Å |
| 68 | V | 97.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.4 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | L50 W52 Y90 Q94 L97 V102 F115 | L50-V68 HydrophobicContact CD1-CG1 4.41Å; W52-V68 HydrophobicContact CH2-CG2 4.45Å; V68-Y90 HydrophobicContact CG1-CD1 4.5Å; V68-Y90 HydrophobicContact CG1-CE1 4.12Å; V68-Q94 HydrophobicContact CB-CG 4.43Å; V68-Q94 PolarHBondContact N-O 2.8Å; V68-Q94 VanDerWaalsContact O-CG 3.3Å; V68-Q94 WeakPolarHBondContact O-CG 3.49Å; V68-Q94 PolarHBondContact O-NE2 3.11Å; V68-L97 HydrophobicContact CG2-CD1 4.43Å; V68-V102 HydrophobicContact CG2-CG1 3.88Å; V68-F115 HydrophobicContact CG1-CD1 4.29Å |
| 69 | V | 95.8 | Very high | 85.7 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 174.3 | 179 | 0 | 0 | 0 | 0 | 108.4 | K71 F115 E116 | V69-K71 HydrophobicContact CG1-CG 4.39Å; V69-F115 CarbonylContact O-C 3.54Å; V69-F115 WeakPolarHBondContact O-CA 3.47Å; V69-E116 HydrophobicContact CB-CB 4.19Å; V69-E116 PolarHBondContact N-O 2.8Å; V69-E116 PolarHBondContact O-N 2.99Å |
| 70 | C | 96.1 | Very high | 85.3 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.1 | 178 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | C84 Y90 F115 | C70-C84 HydrophobicContact CB-CB 3.58Å; C70-C84 WeakPolarHBondContact CB-SG 3.31Å; C70-C84 PolarHBondContact O-N 2.02Å; C70-C84 PolarHBondContact O-SG 3.38Å; C70-C84 VanDerWaalsContact O-SG 3.38Å; C70-C84 WeakPolarHBondContact SG-CB 3.45Å; C70-C84 CovalentContact SG-SG 2.02Å; C70-C84 PolarHBondContact SG-SG 3Å; C70-Y90 WeakPolarHBondContact CB-OH 3.29Å; C70-F115 HydrophobicContact CB-CD1 4.02Å; C70-F115 HydrophobicContact CB-CE1 3.85Å; C70-F115 WeakPolarHBondContact SG-CE1 3.33Å |
| 71 | K | 94.4 | Very high | 85.3 | Confident | 65 Ų | 65 | 60.7 Ų | 60.7 | 28% | 0.283 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128.9 | 176.8 | -69.3 | 176.9 | -176.4 | 172.9 | 0 | 109.5 | V69 C81 R82 C84 Y113 T114 E116 | V69-K71 HydrophobicContact CG1-CG 4.39Å; K71-C81 HydrophobicContact CB-CB 4.08Å; K71-C81 HydrophobicContact CD-CB 4.35Å; K71-R82 CarbonylContact C-O 3.53Å; K71-R82 VanDerWaalsContact CA-O 3.31Å; K71-R82 WeakPolarHBondContact CA-O 3.04Å; K71-C84 PolarHBondContact N-SG 2.84Å; K71-Y113 CarbonylContact O-C 3.49Å; K71-Y113 VanDerWaalsContact O-CA 3.28Å; K71-Y113 WeakPolarHBondContact O-CA 3.24Å; K71-T114 PolarHBondContact N-O 2.55Å; K71-T114 PolarHBondContact O-N 2.69Å; K71-E116 WeakPolarHBondContact CE-OE1 3.42Å; K71-E116 IonicContact NZ-OE1 2.64Å; K71-E116 PolarHBondContact NZ-OE1 2.82Å; K71-E116 IonicContact NZ-OE2 3.46Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å |
| 72 | K | 92.6 | Very high | 85.5 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.9 | 169.2 | -176.3 | -176.7 | 175.2 | -178.5 | 0 | 108.2 | C81 R82 T111 Y113 | K72-C81 WeakPolarHBondContact O-CA 3.21Å; K72-R82 PolarHBondContact N-O 2.94Å; K72-R82 PolarHBondContact O-N 2.95Å; K72-T111 HydrophobicContact CD-CG2 4Å; K72-T111 VanDerWaalsContact CE-CG2 3.42Å; K72-T111 HydrophobicContact CG-CG2 3.79Å; K72-Y113 HydrophobicContact CB-CD1 4.09Å; K72-Y113 HydrophobicContact CB-CE1 3.83Å; K72-Y113 HydrophobicContact CG-CD1 4.5Å; K72-Y113 HydrophobicContact CG-CE1 4.08Å |
| 73 | C | 86.2 | Confident | 85.6 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.068 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.6 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | C81 N112 | C73-C81 HydrophobicContact CB-CB 4.17Å; C73-C81 WeakPolarHBondContact CB-SG 3.06Å; C73-C81 WeakPolarHBondContact SG-CB 3Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.39Å; C73-N112 PolarHBondContact N-O 3.46Å |
| 74 | G | 74.6 | Confident | 85.6 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 155.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | G76 D77 | G74-G76 PolarHBondContact O-N 3.44Å; G74-D77 PolarHBondContact O-N 3.5Å |
| 75 | A | 65.1 | Low | 85.2 | Confident | 104 Ų | 104 | 64 Ų | 64 | 86% | 0.86 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 111.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 76 | G | 61 | Low | 84.7 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | -0.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | G74 | G74-G76 PolarHBondContact O-N 3.44Š|
| 77 | D | 64.9 | Low | 84.3 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 99.9 | -179.2 | -167.8 | -5.5 | 0 | 0 | 0 | 113.5 | G74 S79 K80 | G74-D77 PolarHBondContact O-N 3.5Å; D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CA 3.39Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 PolarHBondContact OD2-OG 3.03Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 WeakPolarHBondContact OD2-CD 3.33Å; D77-K80 VanDerWaalsContact OD2-CE 3.31Å; D77-K80 WeakPolarHBondContact OD2-CE 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.33Å; D77-K80 IonicContact OD2-NZ 3.95Å |
| 78 | P | 65.4 | Low | 84.2 | Confident | 112 Ų | 112 | 69.8 Ų | 69.8 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -16.2 | 174.1 | -18.1 | 30.5 | 0 | 0 | 0 | 113.9 | K80 C81 | P78-K80 VanDerWaalsContact C-N 3.33Å; P78-C81 PolarHBondContact O-SG 3.42Å |
| 79 | S | 71.2 | Confident | 84.2 | Confident | 98 Ų | 98 | 75 Ų | 75 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -14.8 | 179.3 | 75 | 0 | 0 | 0 | 0 | 113 | D77 | D77-S79 PolarHBondContact O-N 2.97Å; D77-S79 WeakPolarHBondContact OD1-CA 3.39Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.31Å; D77-S79 PolarHBondContact OD1-N 2.76Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 PolarHBondContact OD2-OG 3.03Å |
| 80 | K | 79 | Confident | 84.2 | Confident | 147 Ų | 147 | 74.1 Ų | 74.1 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 42.8 | 179.3 | -67 | -179.3 | -171.9 | 173.2 | 0 | 112.6 | D77 P78 | D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 WeakPolarHBondContact OD2-CD 3.33Å; D77-K80 VanDerWaalsContact OD2-CE 3.31Å; D77-K80 WeakPolarHBondContact OD2-CE 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.33Å; D77-K80 IonicContact OD2-NZ 3.95Å; P78-K80 VanDerWaalsContact C-N 3.33Å |
| 81 | C | 88.6 | Confident | 84.3 | Confident | 40 Ų | 40 | 78 Ų | 78 | 27% | 0.27 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.5 | 174.7 | -61 | 0 | 0 | 0 | 0 | 111 | K71 K72 C73 P78 | K71-C81 HydrophobicContact CB-CB 4.08Å; K71-C81 HydrophobicContact CD-CB 4.35Å; K72-C81 WeakPolarHBondContact O-CA 3.21Å; C73-C81 HydrophobicContact CB-CB 4.17Å; C73-C81 WeakPolarHBondContact CB-SG 3.06Å; C73-C81 WeakPolarHBondContact SG-CB 3Å; C73-C81 CovalentContact SG-SG 2.03Å; C73-C81 PolarHBondContact SG-SG 3.39Å; P78-C81 PolarHBondContact O-SG 3.42Å |
| 82 | R | 91.7 | Very high | 84.5 | Confident | 193 Ų | 193 | 78.9 Ų | 78.9 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.4 | 173.5 | -67.3 | -177.9 | 178.3 | 176.5 | -0.4 | 109.8 | K71 K72 C84 | K71-R82 CarbonylContact C-O 3.53Å; K71-R82 VanDerWaalsContact CA-O 3.31Å; K71-R82 WeakPolarHBondContact CA-O 3.04Å; K72-R82 PolarHBondContact N-O 2.94Å; K72-R82 PolarHBondContact O-N 2.95Å; R82-C84 PolarHBondContact O-N 3.48Å |
| 83 | P | 93.4 | Very high | 84.7 | Confident | 111 Ų | 111 | 79.2 Ų | 79.2 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 143.5 | 172.6 | 25.8 | -33.5 | 0 | 0 | 0 | 110 | ||
| 84 | C | 92.5 | Very high | 85.2 | Confident | 25 Ų | 25 | 82.1 Ų | 82.1 | 17% | 0.169 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139.6 | 173.3 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | C70 K71 R82 V88 | C70-C84 HydrophobicContact CB-CB 3.58Å; C70-C84 WeakPolarHBondContact CB-SG 3.31Å; C70-C84 PolarHBondContact O-N 2.02Å; C70-C84 PolarHBondContact O-SG 3.38Å; C70-C84 VanDerWaalsContact O-SG 3.38Å; C70-C84 WeakPolarHBondContact SG-CB 3.45Å; C70-C84 CovalentContact SG-SG 2.02Å; C70-C84 PolarHBondContact SG-SG 3Å; K71-C84 PolarHBondContact N-SG 2.84Å; R82-C84 PolarHBondContact O-N 3.48Å; C84-V88 HydrophobicContact CB-CG2 4.08Å |
| 85 | G | 87.3 | Confident | 86.3 | Confident | 57 Ų | 57 | 84.3 Ų | 84.3 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 173.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G87 V88 | G85-G87 PolarHBondContact O-N 2.62Å; G85-V88 PolarHBondContact O-N 3.04Å |
| 86 | S | 85.4 | Confident | 87.8 | Confident | 127 Ų | 127 | 80.7 Ų | 80.7 | 89% | 0.888 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -2.8 | -179.1 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | V88 | S86-V88 VanDerWaalsContact C-N 3.28Š|
| 87 | G | 89.3 | Confident | 89.5 | Confident | 49 Ų | 49 | 77 Ų | 77 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G85 D106 | G85-G87 PolarHBondContact O-N 2.62Å; G87-D106 VanDerWaalsContact O-CB 3.27Å; G87-D106 WeakPolarHBondContact O-CB 3.34Å |
| 88 | V | 95.6 | Very high | 91 | Very high | 17 Ų | 17 | 81 Ų | 81 | 10% | 0.103 | 47% | 0.468 | C | S | . | . | trans | -94 | 131.9 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | C84 G85 S86 Y90 I104 L107 | C84-V88 HydrophobicContact CB-CG2 4.08Å; G85-V88 PolarHBondContact O-N 3.04Å; S86-V88 VanDerWaalsContact C-N 3.28Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; V88-I104 HydrophobicContact CG1-CG2 3.25Å; V88-L107 HydrophobicContact CG1-CD2 3.87Å; V88-L107 HydrophobicContact CG2-CD2 3.9Å | ||
| 89 | H | 97.3 | Very high | 92.5 | Very high | 110 Ų | 110 | 79.1 Ų | 79.1 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141 | -179.1 | -70.5 | -82.7 | 0 | 0 | 0 | 111.6 | I104 T105 D106 | H89-I104 CarbonylContact O-C 3.58Å; H89-I104 VanDerWaalsContact O-CA 3.32Å; H89-I104 WeakPolarHBondContact O-CA 3.48Å; H89-T105 WeakPolarHBondContact CB-OG1 3.49Å; H89-T105 PolarHBondContact N-O 2.91Å; H89-T105 VanDerWaalsContact N-O 3.16Å; H89-T105 PolarHBondContact O-N 2.87Å; H89-D106 IonicContact CD2-OD2 3.21Å; H89-D106 PolarHBondContact CD2-OD2 2.98Å; H89-D106 IonicContact CG-OD2 3.82Å |
| 90 | Y | 97.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 76.9 Ų | 76.9 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.5 | -179 | -58.5 | -99.5 | 0 | 0 | 0 | 109.7 | V68 C70 V88 P92 Q93 Q94 V102 S103 I104 | V68-Y90 HydrophobicContact CG1-CD1 4.5Å; V68-Y90 HydrophobicContact CG1-CE1 4.12Å; C70-Y90 WeakPolarHBondContact CB-OH 3.29Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CE2 3.89Å; Y90-P92 CarbonylContact O-C 3.59Å; Y90-Q93 PolarHBondContact O-N 2.81Å; Y90-Q94 HydrophobicContact CD1-CB 4.06Å; Y90-Q94 HydrophobicContact CD1-CG 3.87Å; Y90-Q94 HydrophobicContact CD2-CB 3.74Å; Y90-Q94 HydrophobicContact CD2-CG 3.92Å; Y90-Q94 HydrophobicContact CE1-CG 3.9Å; Y90-Q94 HydrophobicContact CE2-CB 4.28Å; Y90-Q94 HydrophobicContact CE2-CG 3.96Å; Y90-Q94 HydrophobicContact CG-CB 3.63Å; Y90-Q94 HydrophobicContact CG-CG 3.88Å; Y90-V102 HydrophobicContact CD1-CG2 4.35Å; Y90-S103 WeakPolarHBondContact CA-O 3.42Å; Y90-I104 HydrophobicContact CD1-CG1 3.66Å; Y90-I104 HydrophobicContact CD1-CG2 4.41Å; Y90-I104 HydrophobicContact CE1-CG1 3.78Å; Y90-I104 HydrophobicContact CE1-CG2 4.15Å |
| 91 | T | 97.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 76.2 Ų | 76.2 | 53% | 0.534 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.8 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | S103 | T91-S103 PolarHBondContact N-O 2.98Å; T91-S103 PolarHBondContact O-N 2.86Å |
| 92 | P | 97.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | S | Bend | cis | -78.6 | -25.5 | 6.4 | 30.7 | -35.2 | 0 | 0 | 0 | 114.9 | Y90 | Y90-P92 CarbonylContact O-C 3.59Š|
| 93 | Q | 97.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | trans | -162.9 | 169.4 | 177.1 | 59.4 | -171.3 | -4.5 | 0 | 0 | 109.7 | Y90 N95 G96 L97 | Y90-Q93 PolarHBondContact O-N 2.81Å; Q93-N95 WeakPolarHBondContact CG-O 3.5Å; Q93-N95 PolarHBondContact NE2-O 2.87Å; Q93-G96 PolarHBondContact NE2-O 2.87Å; Q93-L97 HydrophobicContact CG-CD1 4.12Å; Q93-L97 HydrophobicContact CG-CG 3.94Å; Q93-L97 VanDerWaalsContact O-CD1 3.29Å; Q93-L97 WeakPolarHBondContact O-CD1 3.26Å | ||
| 94 | Q | 96.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -89.5 | -36.6 | 178.6 | -173.1 | -179.8 | -2.6 | 0 | 0 | 113.5 | V68 Y90 L97 | V68-Q94 HydrophobicContact CB-CG 4.43Å; V68-Q94 PolarHBondContact N-O 2.8Å; V68-Q94 VanDerWaalsContact O-CG 3.3Å; V68-Q94 WeakPolarHBondContact O-CG 3.49Å; V68-Q94 PolarHBondContact O-NE2 3.11Å; Y90-Q94 HydrophobicContact CD1-CB 4.06Å; Y90-Q94 HydrophobicContact CD1-CG 3.87Å; Y90-Q94 HydrophobicContact CD2-CB 3.74Å; Y90-Q94 HydrophobicContact CD2-CG 3.92Å; Y90-Q94 HydrophobicContact CE1-CG 3.9Å; Y90-Q94 HydrophobicContact CE2-CB 4.28Å; Y90-Q94 HydrophobicContact CE2-CG 3.96Å; Y90-Q94 HydrophobicContact CG-CB 3.63Å; Y90-Q94 HydrophobicContact CG-CG 3.88Å; Q94-L97 WeakPolarHBondContact O-CD1 3.28Å |
| 95 | N | 97.1 | Very high | 95.9 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -123.3 | 152.3 | -174.6 | -64.3 | -53 | 0 | 0 | 0 | 110.5 | N67 Q93 L97 | N67-N95 WeakPolarHBondContact CB-OD1 3.37Å; N67-N95 WeakPolarHBondContact OD1-CA 3.44Å; Q93-N95 WeakPolarHBondContact CG-O 3.5Å; Q93-N95 PolarHBondContact NE2-O 2.87Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.96Å |
| 96 | G | 96.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 69.9 | 23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y66 N67 Q93 K98 | Y66-G96 PolarHBondContact O-N 2.88Å; Y66-G96 VanDerWaalsContact O-N 3.11Å; N67-G96 PolarHBondContact OD1-N 2.87Å; Q93-G96 PolarHBondContact NE2-O 2.87Å; G96-K98 PolarHBondContact O-N 2.89Å |
| 97 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -62.9 | 132 | 179 | -69.1 | 84.5 | 0 | 0 | 0 | 110.3 | W52 S65 Y66 V68 Q93 Q94 N95 R101 V102 | W52-L97 HydrophobicContact CH2-CD2 4.24Å; S65-L97 CarbonylContact C-O 3.59Å; S65-L97 WeakPolarHBondContact CA-O 3.27Å; S65-L97 WeakPolarHBondContact CB-O 3.46Å; Y66-L97 WeakPolarHBondContact CD2-O 3.37Å; Y66-L97 PolarHBondContact N-O 2.84Å; Y66-L97 VanDerWaalsContact O-CD1 3.25Å; Y66-L97 WeakPolarHBondContact O-CD1 3.12Å; Y66-L97 PolarHBondContact O-N 2.92Å; V68-L97 HydrophobicContact CG2-CD1 4.43Å; Q93-L97 HydrophobicContact CG-CD1 4.12Å; Q93-L97 HydrophobicContact CG-CG 3.94Å; Q93-L97 VanDerWaalsContact O-CD1 3.29Å; Q93-L97 WeakPolarHBondContact O-CD1 3.26Å; Q94-L97 WeakPolarHBondContact O-CD1 3.28Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.96Å; L97-R101 WeakPolarHBondContact CD2-O 3.49Å; L97-V102 HydrophobicContact CD2-CB 3.84Å; L97-V102 HydrophobicContact CD2-CG2 4.15Å |
| 98 | K | 95.7 | Very high | 96.8 | Very high | 135 Ų | 135 | 58.2 Ų | 58.2 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | trans | -94.6 | -17.9 | 169.7 | -61.8 | -55.2 | -170.3 | -177.7 | 0 | 112.4 | D63 I64 G96 | D63-K98 PolarHBondContact O-NZ 2.83Å; I64-K98 WeakPolarHBondContact O-CD 3.46Å; I64-K98 PolarHBondContact O-NZ 2.79Å; G96-K98 PolarHBondContact O-N 2.89Å | ||
| 99 | T | 96.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -87.9 | 160 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 100 | T | 97.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 31% | 0.307 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -101 | 28.1 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | E51 W52 Y66 | E51-T100 WeakPolarHBondContact CA-O 3.13Å; W52-T100 PolarHBondContact N-O 2.93Å; W52-T100 WeakPolarHBondContact O-CB 3.43Å; W52-T100 PolarHBondContact O-OG1 2.03Å; Y66-T100 HydrophobicContact CE2-CG2 3.88Å |
| 101 | R | 98 | Very high | 96.1 | Very high | 134 Ų | 134 | 55.9 Ų | 55.9 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.1 | 173.5 | 94.2 | -173.3 | -59.7 | -97.1 | 2.2 | 111.2 | L50 L97 | L50-R101 VanDerWaalsContact O-CA 3.26Å; L50-R101 WeakPolarHBondContact O-CA 3.39Å; L97-R101 WeakPolarHBondContact CD2-O 3.49Å |
| 102 | V | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144 | 167.2 | 66.8 | 0 | 0 | 0 | 0 | 110.1 | L50 W52 V68 Y90 L97 I104 | L50-V102 HydrophobicContact CB-CG1 3.92Å; L50-V102 HydrophobicContact CD1-CG1 4.15Å; L50-V102 HydrophobicContact CG-CG1 4.42Å; L50-V102 PolarHBondContact N-O 3.36Å; L50-V102 PolarHBondContact O-N 3.03Å; W52-V102 HydrophobicContact CH2-CB 4.27Å; W52-V102 HydrophobicContact CH2-CG1 4.04Å; W52-V102 HydrophobicContact CZ3-CB 4.47Å; W52-V102 HydrophobicContact CZ3-CG1 3.9Å; V68-V102 HydrophobicContact CG2-CG1 3.88Å; Y90-V102 HydrophobicContact CD1-CG2 4.35Å; L97-V102 HydrophobicContact CD2-CB 3.84Å; L97-V102 HydrophobicContact CD2-CG2 4.15Å; V102-I104 HydrophobicContact CG1-CD1 3.57Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 HydrophobicContact CG2-CD1 4.47Å |
| 103 | S | 98.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.4 | 167.9 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | N49 Y90 T91 | N49-S103 VanDerWaalsContact OD1-CB 3.24Å; N49-S103 WeakPolarHBondContact OD1-CB 3.39Å; N49-S103 PolarHBondContact OD1-OG 2.85Å; Y90-S103 WeakPolarHBondContact CA-O 3.42Å; T91-S103 PolarHBondContact N-O 2.98Å; T91-S103 PolarHBondContact O-N 2.86Å |
| 104 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.8 | 177.2 | -56 | 93.8 | 0 | 0 | 0 | 108 | S47 V48 L50 V88 H89 Y90 V102 L107 F115 | S47-I104 CarbonylContact C-O 3.59Å; S47-I104 WeakPolarHBondContact CA-O 3.32Å; S47-I104 VanDerWaalsContact CB-O 3.23Å; S47-I104 WeakPolarHBondContact CB-O 3.45Å; V48-I104 PolarHBondContact N-O 2.89Å; V48-I104 VanDerWaalsContact O-CD1 3.28Å; V48-I104 WeakPolarHBondContact O-CD1 3.25Å; V48-I104 PolarHBondContact O-N 2.82Å; L50-I104 HydrophobicContact CB-CD1 4.5Å; L50-I104 HydrophobicContact CD1-CD1 3.64Å; L50-I104 HydrophobicContact CG-CD1 3.82Å; V88-I104 HydrophobicContact CG1-CG2 3.25Å; H89-I104 CarbonylContact O-C 3.58Å; H89-I104 VanDerWaalsContact O-CA 3.32Å; H89-I104 WeakPolarHBondContact O-CA 3.48Å; Y90-I104 HydrophobicContact CD1-CG1 3.66Å; Y90-I104 HydrophobicContact CD1-CG2 4.41Å; Y90-I104 HydrophobicContact CE1-CG1 3.78Å; Y90-I104 HydrophobicContact CE1-CG2 4.15Å; V102-I104 HydrophobicContact CG1-CD1 3.57Å; V102-I104 HydrophobicContact CG1-CG1 4.41Å; V102-I104 HydrophobicContact CG2-CD1 4.47Å; I104-L107 HydrophobicContact CG2-CD1 4.08Å; I104-L107 HydrophobicContact CG2-CD2 3.91Å; I104-L107 HydrophobicContact CG2-CG 4.08Å; I104-F115 HydrophobicContact CB-CE1 4.37Å; I104-F115 HydrophobicContact CD1-CE1 4.26Å; I104-F115 HydrophobicContact CG1-CE1 4.03Å; I104-F115 HydrophobicContact CG2-CE1 4.08Å; I104-F115 HydrophobicContact CG2-CZ 4.31Å |
| 105 | T | 97.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 170.9 | -179.4 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | H89 L107 | H89-T105 WeakPolarHBondContact CB-OG1 3.49Å; H89-T105 PolarHBondContact N-O 2.91Å; H89-T105 VanDerWaalsContact N-O 3.16Å; H89-T105 PolarHBondContact O-N 2.87Å; T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 2.82Å |
| 106 | D | 95.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 40.8 Ų | 40.8 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 64.5 | 30.9 | 177.3 | -51.4 | -68.2 | 0 | 0 | 0 | 113.1 | T46 G87 H89 | T46-D106 PolarHBondContact O-N 2.99Å; T46-D106 VanDerWaalsContact O-N 3.15Å; G87-D106 VanDerWaalsContact O-CB 3.27Å; G87-D106 WeakPolarHBondContact O-CB 3.34Å; H89-D106 IonicContact CD2-OD2 3.21Å; H89-D106 PolarHBondContact CD2-OD2 2.98Å; H89-D106 IonicContact CG-OD2 3.82Å |
| 107 | L | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 157.7 | 168 | -58.3 | 167.9 | 0 | 0 | 0 | 110 | T46 V48 V88 I104 T105 Y113 F115 T140 | T46-L107 VanDerWaalsContact CB-O 3.24Å; T46-L107 WeakPolarHBondContact CB-O 3.28Å; T46-L107 VanDerWaalsContact CG2-O 3.31Å; T46-L107 WeakPolarHBondContact CG2-O 3.09Å; T46-L107 WeakPolarHBondContact O-CB 3.27Å; T46-L107 PolarHBondContact O-N 2.82Å; V48-L107 HydrophobicContact CB-CD1 4.06Å; V48-L107 HydrophobicContact CG2-CD1 3.56Å; V88-L107 HydrophobicContact CG1-CD2 3.87Å; V88-L107 HydrophobicContact CG2-CD2 3.9Å; I104-L107 HydrophobicContact CG2-CD1 4.08Å; I104-L107 HydrophobicContact CG2-CD2 3.91Å; I104-L107 HydrophobicContact CG2-CG 4.08Å; T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 2.82Å; L107-Y113 HydrophobicContact CB-CE2 3.87Å; L107-Y113 HydrophobicContact CD2-CD1 4.08Å; L107-Y113 HydrophobicContact CD2-CD2 4.39Å; L107-Y113 HydrophobicContact CD2-CE1 3.71Å; L107-Y113 HydrophobicContact CD2-CE2 4.04Å; L107-Y113 HydrophobicContact CD2-CG 4.39Å; L107-Y113 HydrophobicContact CG-CE2 4.42Å; L107-F115 HydrophobicContact CD1-CZ 4.07Å; L107-F115 HydrophobicContact CD2-CZ 4.33Å; L107-T140 HydrophobicContact CB-CG2 4.19Å; L107-T140 HydrophobicContact CD1-CG2 4.13Å |
| 108 | L | 92.2 | Very high | 95.6 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 141 | 171.9 | -62.7 | 171.3 | 0 | 0 | 0 | 109.9 | T111 Y113 T140 | L108-T111 WeakPolarHBondContact CB-OG1 3.22Å; L108-T111 WeakPolarHBondContact O-CB 3.46Å; L108-Y113 PolarHBondContact N-OH 3.15Å; L108-Y113 VanDerWaalsContact N-OH 3.09Å; L108-T140 PolarHBondContact O-OG1 2.91Å |
| 109 | A | 93 | Very high | 95.7 | Very high | 6 Ų | 6 | 36 Ų | 36 | 5% | 0.05 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 155.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E45 T111 A143 N172 | E45-A109 VanDerWaalsContact O-CA 3.31Å; E45-A109 WeakPolarHBondContact O-CA 3.36Å; A109-T111 PolarHBondContact O-N 2.8Å; A109-T111 VanDerWaalsContact O-N 3.17Å; A109-T111 PolarHBondContact O-OG1 2.64Å; A109-A143 HydrophobicContact CB-CB 3.65Å; A109-N172 HydrophobicContact CB-CB 3.81Å |
| 110 | H | 92.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 33.8 Ų | 33.8 | 39% | 0.389 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 45.6 | 178.5 | -161.4 | 60.1 | 0 | 0 | 0 | 114.2 | T140 N141 Q142 | H110-T140 WeakPolarHBondContact CA-O 3.15Å; H110-T140 PolarHBondContact N-O 3.01Å; H110-T140 PolarHBondContact N-OG1 3.06Å; H110-N141 PolarHBondContact N-O 3.26Å; H110-Q142 HydrophobicContact CB-CG 4.25Å |
| 111 | T | 91 | Very high | 95.4 | Very high | 21 Ų | 21 | 32 Ų | 32 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | trans | -130.8 | 138.2 | -172.9 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | K72 L108 A109 Y113 T139 T140 | K72-T111 HydrophobicContact CD-CG2 4Å; K72-T111 VanDerWaalsContact CE-CG2 3.42Å; K72-T111 HydrophobicContact CG-CG2 3.79Å; L108-T111 WeakPolarHBondContact CB-OG1 3.22Å; L108-T111 WeakPolarHBondContact O-CB 3.46Å; A109-T111 PolarHBondContact O-N 2.8Å; A109-T111 VanDerWaalsContact O-N 3.17Å; A109-T111 PolarHBondContact O-OG1 2.64Å; T111-Y113 HydrophobicContact CG2-CD2 3.88Å; T111-Y113 HydrophobicContact CG2-CE2 3.34Å; T111-Y113 WeakPolarHBondContact O-CD2 3.14Å; T111-T139 WeakPolarHBondContact O-CA 3.21Å; T111-T140 PolarHBondContact N-OG1 3.11Å; T111-T140 PolarHBondContact O-N 3.19Å; T111-T140 PolarHBondContact O-OG1 3.42Å | ||
| 112 | N | 92.7 | Very high | 95 | Very high | 46 Ų | 46 | 26.9 Ų | 26.9 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 122.2 | 175.6 | -68.4 | -20.2 | 0 | 0 | 0 | 111.4 | C73 V138 T139 | C73-N112 PolarHBondContact N-O 3.46Å; N112-V138 WeakPolarHBondContact CA-O 3.24Å; N112-T139 WeakPolarHBondContact OD1-CB 3.35Å; N112-T139 VanDerWaalsContact OD1-CG2 3.27Å; N112-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N112-T139 PolarHBondContact OD1-OG1 3.26Å |
| 113 | Y | 93.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.7 | 173.9 | -71.6 | -85.8 | 0 | 0 | 0 | 110.7 | K71 K72 L107 L108 T111 F115 T137 V138 T140 | K71-Y113 CarbonylContact O-C 3.49Å; K71-Y113 VanDerWaalsContact O-CA 3.28Å; K71-Y113 WeakPolarHBondContact O-CA 3.24Å; K72-Y113 HydrophobicContact CB-CD1 4.09Å; K72-Y113 HydrophobicContact CB-CE1 3.83Å; K72-Y113 HydrophobicContact CG-CD1 4.5Å; K72-Y113 HydrophobicContact CG-CE1 4.08Å; L107-Y113 HydrophobicContact CB-CE2 3.87Å; L107-Y113 HydrophobicContact CD2-CD1 4.08Å; L107-Y113 HydrophobicContact CD2-CD2 4.39Å; L107-Y113 HydrophobicContact CD2-CE1 3.71Å; L107-Y113 HydrophobicContact CD2-CE2 4.04Å; L107-Y113 HydrophobicContact CD2-CG 4.39Å; L107-Y113 HydrophobicContact CG-CE2 4.42Å; L108-Y113 PolarHBondContact N-OH 3.15Å; L108-Y113 VanDerWaalsContact N-OH 3.09Å; T111-Y113 HydrophobicContact CG2-CD2 3.88Å; T111-Y113 HydrophobicContact CG2-CE2 3.34Å; T111-Y113 WeakPolarHBondContact O-CD2 3.14Å; Y113-F115 HydrophobicContact CG-CE2 4.49Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; Y113-T137 CarbonylContact O-C 3.57Å; Y113-T137 WeakPolarHBondContact O-CA 3.41Å; Y113-V138 PolarHBondContact N-O 3.21Å; Y113-V138 PolarHBondContact O-N 3.02Å; Y113-V138 VanDerWaalsContact O-O 3.12Å; Y113-T140 HydrophobicContact CD2-CG2 4.08Å; Y113-T140 HydrophobicContact CE2-CG2 4.25Å |
| 114 | T | 94.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | 168.8 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | K71 V136 T137 | K71-T114 PolarHBondContact N-O 2.55Å; K71-T114 PolarHBondContact O-N 2.69Å; T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.5Å; T114-T137 PolarHBondContact OG1-OG1 2.87Å |
| 115 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.6 | 176.4 | -63.8 | -83.1 | 0 | 0 | 0 | 109.5 | V48 L50 V68 V69 C70 I104 L107 Y113 I117 S135 V136 V138 | V48-F115 HydrophobicContact CB-CE2 4.11Å; V48-F115 HydrophobicContact CB-CZ 4.28Å; V48-F115 HydrophobicContact CG1-CD2 4.41Å; V48-F115 HydrophobicContact CG1-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CE2 4.01Å; V48-F115 HydrophobicContact CG2-CZ 4.34Å; L50-F115 HydrophobicContact CD1-CB 3.65Å; L50-F115 HydrophobicContact CD1-CD1 4.08Å; L50-F115 HydrophobicContact CD1-CD2 4.37Å; L50-F115 HydrophobicContact CD1-CG 3.79Å; V68-F115 HydrophobicContact CG1-CD1 4.29Å; V69-F115 CarbonylContact O-C 3.54Å; V69-F115 WeakPolarHBondContact O-CA 3.47Å; C70-F115 HydrophobicContact CB-CD1 4.02Å; C70-F115 HydrophobicContact CB-CE1 3.85Å; C70-F115 WeakPolarHBondContact SG-CE1 3.33Å; I104-F115 HydrophobicContact CB-CE1 4.37Å; I104-F115 HydrophobicContact CD1-CE1 4.26Å; I104-F115 HydrophobicContact CG1-CE1 4.03Å; I104-F115 HydrophobicContact CG2-CE1 4.08Å; I104-F115 HydrophobicContact CG2-CZ 4.31Å; L107-F115 HydrophobicContact CD1-CZ 4.07Å; L107-F115 HydrophobicContact CD2-CZ 4.33Å; Y113-F115 HydrophobicContact CG-CE2 4.49Å; Y113-F115 HydrophobicContact CG-CZ 4.42Å; F115-I117 HydrophobicContact CB-CD1 4.27Å; F115-S135 CarbonylContact O-C 3.48Å; F115-S135 WeakPolarHBondContact O-CA 3.38Å; F115-V136 HydrophobicContact CB-CG1 4.22Å; F115-V136 PolarHBondContact N-O 3.19Å; F115-V136 PolarHBondContact O-N 3.22Å; F115-V138 HydrophobicContact CD2-CG2 4Å; F115-V138 HydrophobicContact CE2-CG2 3.7Å |
| 116 | E | 96.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.7 | 173.2 | -59 | 167 | -173.4 | 0 | 0 | 109.2 | V69 K71 W118 V134 | V69-E116 HydrophobicContact CB-CB 4.19Å; V69-E116 PolarHBondContact N-O 2.8Å; V69-E116 PolarHBondContact O-N 2.99Å; K71-E116 WeakPolarHBondContact CE-OE1 3.42Å; K71-E116 IonicContact NZ-OE1 2.64Å; K71-E116 PolarHBondContact NZ-OE1 2.82Å; K71-E116 IonicContact NZ-OE2 3.46Å; K71-E116 PolarHBondContact NZ-OE2 3.07Å; E116-W118 PolarHBondContact OE2-NE1 2.86Å; E116-V134 WeakPolarHBondContact CA-O 3.37Å |
| 117 | I | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.7 | -179 | -59.9 | 62 | 0 | 0 | 0 | 106.2 | P36 L39 L50 W52 Y66 F115 S133 V134 | P36-I117 HydrophobicContact CG-CB 4.41Å; P36-I117 HydrophobicContact CG-CG2 3.88Å; L39-I117 HydrophobicContact CD1-CD1 3.72Å; L39-I117 HydrophobicContact CD1-CG1 3.98Å; L39-I117 HydrophobicContact CD2-CD1 3.56Å; L39-I117 HydrophobicContact CD2-CG1 4.46Å; L39-I117 HydrophobicContact CG-CD1 4.31Å; L50-I117 HydrophobicContact CD1-CD1 4.03Å; W52-I117 HydrophobicContact CD2-CG2 3.84Å; W52-I117 HydrophobicContact CE3-CG1 4.1Å; W52-I117 HydrophobicContact CE3-CG2 4.19Å; W52-I117 HydrophobicContact CG-CG2 4.33Å; W52-I117 HydrophobicContact CH2-CG2 4.31Å; W52-I117 HydrophobicContact CZ2-CG2 3.96Å; W52-I117 HydrophobicContact CZ3-CG1 4.23Å; W52-I117 HydrophobicContact CZ3-CG2 4.42Å; Y66-I117 HydrophobicContact CD1-CG2 4.32Å; F115-I117 HydrophobicContact CB-CD1 4.27Å; I117-S133 VanDerWaalsContact O-CA 3.24Å; I117-S133 WeakPolarHBondContact O-CA 3.29Å; I117-V134 HydrophobicContact CB-CG1 4.44Å; I117-V134 PolarHBondContact N-O 3.24Å; I117-V134 PolarHBondContact O-N 3.05Å; I117-V134 VanDerWaalsContact O-N 3.15Å |
| 118 | W | 97.4 | Very high | 91.7 | Very high | 61 Ų | 61 | 41.9 Ų | 41.9 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.4 | -178.2 | -72.5 | 73.3 | 0 | 0 | 0 | 109.7 | Y66 N67 E116 V120 S129 Q132 | Y66-W118 CarbonylContact C-O 3.32Å; Y66-W118 WeakPolarHBondContact CA-O 3.23Å; N67-W118 HydrophobicContact CB-CB 4.32Å; N67-W118 PolarHBondContact N-O 3.18Å; N67-W118 PolarHBondContact O-N 3.17Å; E116-W118 PolarHBondContact OE2-NE1 2.86Å; W118-V120 HydrophobicContact CB-CG1 4.36Å; W118-S129 WeakPolarHBondContact CZ3-O 3.03Å; W118-Q132 HydrophobicContact CE3-CB 4.13Å; W118-Q132 HydrophobicContact CZ3-CB 4.34Å |
| 119 | A | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P33 P36 P55 Y66 Q132 | P33-A119 HydrophobicContact CB-CB 4.13Å; P33-A119 HydrophobicContact CG-CB 3.7Å; P33-A119 VanDerWaalsContact CG-O 3.27Å; P33-A119 WeakPolarHBondContact CG-O 3.23Å; P36-A119 HydrophobicContact CG-CB 4.08Å; P55-A119 HydrophobicContact CG-CB 3.58Å; Y66-A119 HydrophobicContact CD1-CB 4.18Å; Y66-A119 HydrophobicContact CE1-CB 4.06Å; A119-Q132 PolarHBondContact N-O 3.29Å |
| 120 | V | 95.5 | Very high | 90.5 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.5 | -179.1 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | I64 S65 W118 S124 | I64-V120 CarbonylContact C-O 3.59Å; I64-V120 WeakPolarHBondContact CA-O 3.42Å; S65-V120 PolarHBondContact N-O 3.43Å; S65-V120 WeakPolarHBondContact O-CG2 3.27Å; S65-V120 PolarHBondContact O-N 2.83Å; S65-V120 WeakPolarHBondContact OG-CG2 3.45Å; W118-V120 HydrophobicContact CB-CG1 4.36Å; V120-S124 WeakPolarHBondContact CA-OG 3.31Å |
| 121 | N | 92.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | trans | -133.7 | 179.4 | 170.3 | 70.4 | 18.3 | 0 | 0 | 0 | 109.8 | G31 T58 R61 V123 S124 | G31-N121 PolarHBondContact O-ND2 2.88Å; T58-N121 PolarHBondContact O-ND2 3.15Å; R61-N121 PolarHBondContact NH2-OD1 2.94Å; N121-V123 PolarHBondContact O-N 3.09Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.35Å; N121-V123 PolarHBondContact OD1-N 3.33Å; N121-S124 PolarHBondContact N-OG 3.04Å; N121-S124 WeakPolarHBondContact O-CB 3.49Å; N121-S124 PolarHBondContact O-N 3.23Å; N121-S124 VanDerWaalsContact O-N 3.13Å; N121-S124 PolarHBondContact OD1-N 3.44Å; N121-S124 VanDerWaalsContact OD1-N 3.13Å; N121-S124 PolarHBondContact OD1-OG 2.89Å | ||
| 122 | G | 89.6 | Confident | 90.3 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -11.2 | 179 | 0 | 0 | 0 | 0 | 0 | 117.5 | R61 D63 K125 | R61-G122 VanDerWaalsContact NH2-C 3.27Å; R61-G122 VanDerWaalsContact NH2-CA 3.29Å; D63-G122 WeakPolarHBondContact OD2-CA 3.36Å; D63-G122 PolarHBondContact OD2-N 3.19Å; G122-K125 VanDerWaalsContact O-CE 3.23Å; G122-K125 WeakPolarHBondContact O-CE 3.42Å |
| 123 | V | 88.5 | Confident | 90.4 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -14.5 | 179.6 | -65.5 | 0 | 0 | 0 | 0 | 113.9 | Y26 G31 N121 K125 Y126 N127 | Y26-V123 HydrophobicContact CD1-CG1 3.43Å; Y26-V123 VanDerWaalsContact CD1-CG1 3.43Å; Y26-V123 HydrophobicContact CD2-CG1 3.52Å; Y26-V123 HydrophobicContact CE1-CG1 3.53Å; Y26-V123 HydrophobicContact CE2-CG1 3.63Å; Y26-V123 HydrophobicContact CG-CG1 3.44Å; Y26-V123 VanDerWaalsContact CG-CG1 3.44Å; G31-V123 VanDerWaalsContact O-CG2 3.25Å; G31-V123 WeakPolarHBondContact O-CG2 3.42Å; N121-V123 PolarHBondContact O-N 3.09Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.35Å; N121-V123 PolarHBondContact OD1-N 3.33Å; V123-K125 PolarHBondContact O-N 3.38Å; V123-Y126 HydrophobicContact CB-CD2 4.33Å; V123-Y126 HydrophobicContact CG1-CD2 4.38Å; V123-Y126 PolarHBondContact O-N 3.05Å; V123-N127 PolarHBondContact O-N 2.77Å |
| 124 | S | 89.1 | Confident | 90.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -31.4 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | P33 V120 N121 Y126 N127 P128 Q132 | P33-S124 WeakPolarHBondContact CD-OG 3.24Å; V120-S124 WeakPolarHBondContact CA-OG 3.31Å; N121-S124 PolarHBondContact N-OG 3.04Å; N121-S124 WeakPolarHBondContact O-CB 3.49Å; N121-S124 PolarHBondContact O-N 3.23Å; N121-S124 VanDerWaalsContact O-N 3.13Å; N121-S124 PolarHBondContact OD1-N 3.44Å; N121-S124 VanDerWaalsContact OD1-N 3.13Å; N121-S124 PolarHBondContact OD1-OG 2.89Å; S124-Y126 VanDerWaalsContact C-N 3.3Å; S124-Y126 PolarHBondContact O-N 3.13Å; S124-N127 CarbonylContact O-C 3.51Å; S124-N127 PolarHBondContact O-N 2.87Å; S124-P128 WeakPolarHBondContact O-CA 3.49Å; S124-P128 VanDerWaalsContact O-N 3.16Å; S124-Q132 PolarHBondContact OG-OE1 2.83Å |
| 125 | K | 86.4 | Confident | 90.6 | Very high | 144 Ų | 144 | 49 Ų | 49 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -23.2 | 175.8 | 58.3 | 169 | 160.2 | 165.9 | 0 | 115.1 | G122 V123 | G122-K125 VanDerWaalsContact O-CE 3.23Å; G122-K125 WeakPolarHBondContact O-CE 3.42Å; V123-K125 PolarHBondContact O-N 3.38Å |
| 126 | Y | 84.6 | Confident | 90.5 | Very high | 124 Ų | 124 | 50.4 Ų | 50.4 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -22.8 | -179.4 | -55.1 | -70.7 | 0 | 0 | 0 | 112.2 | Y26 V123 S124 | Y26-Y126 HydrophobicContact CD2-CD2 4.45Å; Y26-Y126 AromaticContact CE2-CD2 3.54Å; Y26-Y126 HydrophobicContact CE2-CD2 3.54Å; Y26-Y126 AromaticContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CE2 3.46Å; Y26-Y126 VanDerWaalsContact CE2-CE2 3.46Å; Y26-Y126 HydrophobicContact CE2-CG 4.43Å; Y26-Y126 AromaticContact CZ-CE2 3.57Å; Y26-Y126 WeakPolarHBondContact OH-CE2 3.39Å; Y26-Y126 PolarHBondContact OH-OH 3.13Å; V123-Y126 HydrophobicContact CB-CD2 4.33Å; V123-Y126 HydrophobicContact CG1-CD2 4.38Å; V123-Y126 PolarHBondContact O-N 3.05Å; S124-Y126 VanDerWaalsContact C-N 3.3Å; S124-Y126 PolarHBondContact O-N 3.13Å |
| 127 | N | 82.7 | Confident | 90.5 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -139.5 | 73.5 | 175.5 | -170.8 | 36 | 0 | 0 | 0 | 110.6 | V123 S124 S129 Q132 | V123-N127 PolarHBondContact O-N 2.77Å; S124-N127 CarbonylContact O-C 3.51Å; S124-N127 PolarHBondContact O-N 2.87Å; N127-S129 PolarHBondContact O-N 3.36Å; N127-Q132 PolarHBondContact O-NE2 2.97Å |
| 128 | P | 81.4 | Confident | 90.3 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | trans | -68.8 | 128.1 | 176.2 | 28.3 | -32.8 | 0 | 0 | 0 | 109.8 | S124 | S124-P128 WeakPolarHBondContact O-CA 3.49Å; S124-P128 VanDerWaalsContact O-N 3.16Å | ||
| 129 | S | 81.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -132.4 | 140.3 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | W118 N127 D131 Q132 | W118-S129 WeakPolarHBondContact CZ3-O 3.03Å; N127-S129 PolarHBondContact O-N 3.36Å; S129-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact OG-N 2.92Å; S129-D131 PolarHBondContact OG-OD2 2.89Å; S129-Q132 WeakPolarHBondContact O-CB 3.41Å; S129-Q132 VanDerWaalsContact O-CG 3.24Å; S129-Q132 WeakPolarHBondContact O-CG 3.15Å; S129-Q132 PolarHBondContact O-N 2.74Å | ||
| 130 | P | 78.3 | Confident | 89.9 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60 | -23.2 | 173.2 | 25.6 | -34.3 | 0 | 0 | 0 | 113.2 | Q132 S133 | P130-Q132 PolarHBondContact O-N 3.41Å; P130-S133 PolarHBondContact O-N 3.5Å; P130-S133 PolarHBondContact O-OG 3.34Å |
| 131 | D | 86.4 | Confident | 89.9 | Confident | 124 Ų | 124 | 56.7 Ų | 56.7 | 66% | 0.663 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.1 | -5.2 | 177.7 | -55.2 | -34.2 | 0 | 0 | 0 | 113.5 | S34 A35 S129 S133 | S34-D131 CarbonylContact C-O 3.6Å; A35-D131 WeakPolarHBondContact CB-O 3.4Å; A35-D131 PolarHBondContact N-O 3.07Å; S129-D131 PolarHBondContact O-N 2.91Å; S129-D131 PolarHBondContact OG-N 2.92Å; S129-D131 PolarHBondContact OG-OD2 2.89Å; D131-S133 VanDerWaalsContact C-N 3.25Å |
| 132 | Q | 92.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -83.1 | -2.8 | 174.4 | -59.5 | 175.4 | 27.2 | 0 | 0 | 112.4 | P32 P33 W118 A119 S124 N127 S129 P130 | P32-Q132 HydrophobicContact CB-CG 4.12Å; P33-Q132 WeakPolarHBondContact O-CG 3.44Å; W118-Q132 HydrophobicContact CE3-CB 4.13Å; W118-Q132 HydrophobicContact CZ3-CB 4.34Å; A119-Q132 PolarHBondContact N-O 3.29Å; S124-Q132 PolarHBondContact OG-OE1 2.83Å; N127-Q132 PolarHBondContact O-NE2 2.97Å; S129-Q132 WeakPolarHBondContact O-CB 3.41Å; S129-Q132 VanDerWaalsContact O-CG 3.24Å; S129-Q132 WeakPolarHBondContact O-CG 3.15Å; S129-Q132 PolarHBondContact O-N 2.74Å; P130-Q132 PolarHBondContact O-N 3.41Å |
| 133 | S | 96.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.5 | -171.8 | 73.3 | 0 | 0 | 0 | 0 | 113.5 | A35 I117 P130 D131 | A35-S133 WeakPolarHBondContact CB-O 3.46Å; I117-S133 VanDerWaalsContact O-CA 3.24Å; I117-S133 WeakPolarHBondContact O-CA 3.29Å; P130-S133 PolarHBondContact O-N 3.5Å; P130-S133 PolarHBondContact O-OG 3.34Å; D131-S133 VanDerWaalsContact C-N 3.25Å |
| 134 | V | 96.8 | Very high | 89.9 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.2 | 169.9 | 59 | 0 | 0 | 0 | 0 | 108.8 | A35 P36 L39 E116 I117 | A35-V134 HydrophobicContact CB-CB 4.39Å; P36-V134 HydrophobicContact CB-CG1 3.95Å; P36-V134 HydrophobicContact CG-CG1 4.11Å; P36-V134 WeakPolarHBondContact O-CG1 3.11Å; L39-V134 HydrophobicContact CB-CG1 4.09Å; L39-V134 HydrophobicContact CB-CG2 4.28Å; L39-V134 HydrophobicContact CD2-CG1 4.02Å; L39-V134 HydrophobicContact CD2-CG2 4.23Å; E116-V134 WeakPolarHBondContact CA-O 3.37Å; I117-V134 HydrophobicContact CB-CG1 4.44Å; I117-V134 PolarHBondContact N-O 3.24Å; I117-V134 PolarHBondContact O-N 3.05Å; I117-V134 VanDerWaalsContact O-N 3.15Å |
| 135 | S | 95.2 | Very high | 90 | Very high | 74 Ų | 74 | 67 Ų | 67 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.4 | -176.8 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | F115 | F115-S135 CarbonylContact O-C 3.48Å; F115-S135 WeakPolarHBondContact O-CA 3.38Å |
| 136 | V | 95.2 | Very high | 90.2 | Very high | 29 Ų | 29 | 62 Ų | 62 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.3 | 167.4 | 67.6 | 0 | 0 | 0 | 0 | 109.9 | L39 L50 T114 F115 V138 | L39-V136 HydrophobicContact CD2-CB 3.68Å; L39-V136 HydrophobicContact CD2-CG1 3.7Å; L39-V136 HydrophobicContact CG-CB 4.28Å; L39-V136 HydrophobicContact CG-CG1 4.22Å; L50-V136 HydrophobicContact CD2-CG1 3.88Å; T114-V136 CarbonylContact C-O 3.59Å; T114-V136 WeakPolarHBondContact CA-O 3.5Å; F115-V136 HydrophobicContact CB-CG1 4.22Å; F115-V136 PolarHBondContact N-O 3.19Å; F115-V136 PolarHBondContact O-N 3.22Å; V136-V138 HydrophobicContact CG2-CG1 4.05Å |
| 137 | T | 94.6 | Very high | 90.5 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 56% | 0.564 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 172.7 | -61.2 | 0 | 0 | 0 | 0 | 109 | Y113 T114 | Y113-T137 CarbonylContact O-C 3.57Å; Y113-T137 WeakPolarHBondContact O-CA 3.41Å; T114-T137 PolarHBondContact OG1-OG1 2.87Å |
| 138 | V | 93.7 | Very high | 91 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.4 | -177.7 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | S41 V43 V48 N112 Y113 F115 V136 | S41-V138 VanDerWaalsContact OG-CG1 3.29Å; S41-V138 WeakPolarHBondContact OG-CG1 3.44Å; V43-V138 HydrophobicContact CG2-CB 3.78Å; V43-V138 HydrophobicContact CG2-CG1 3.87Å; V43-V138 HydrophobicContact CG2-CG2 4.27Å; V48-V138 HydrophobicContact CG1-CG2 4.39Å; V48-V138 HydrophobicContact CG2-CG2 3.97Å; N112-V138 WeakPolarHBondContact CA-O 3.24Å; Y113-V138 PolarHBondContact N-O 3.21Å; Y113-V138 PolarHBondContact O-N 3.02Å; Y113-V138 VanDerWaalsContact O-O 3.12Å; F115-V138 HydrophobicContact CD2-CG2 4Å; F115-V138 HydrophobicContact CE2-CG2 3.7Å; V136-V138 HydrophobicContact CG2-CG1 4.05Å |
| 139 | T | 93.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.9 | 171.3 | -51.1 | 0 | 0 | 0 | 0 | 107.8 | V43 T111 N112 | V43-T139 WeakPolarHBondContact CG1-O 3.27Å; T111-T139 WeakPolarHBondContact O-CA 3.21Å; N112-T139 WeakPolarHBondContact OD1-CB 3.35Å; N112-T139 VanDerWaalsContact OD1-CG2 3.27Å; N112-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N112-T139 PolarHBondContact OD1-OG1 3.26Å |
| 140 | T | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 149.2 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 111.3 | V43 E45 V48 L107 L108 H110 T111 Y113 | V43-T140 HydrophobicContact CG1-CG2 4.42Å; E45-T140 WeakPolarHBondContact O-CB 3.32Å; V48-T140 HydrophobicContact CG2-CG2 4.34Å; L107-T140 HydrophobicContact CB-CG2 4.19Å; L107-T140 HydrophobicContact CD1-CG2 4.13Å; L108-T140 PolarHBondContact O-OG1 2.91Å; H110-T140 WeakPolarHBondContact CA-O 3.15Å; H110-T140 PolarHBondContact N-O 3.01Å; H110-T140 PolarHBondContact N-OG1 3.06Å; T111-T140 PolarHBondContact N-OG1 3.11Å; T111-T140 PolarHBondContact O-N 3.19Å; T111-T140 PolarHBondContact O-OG1 3.42Å; Y113-T140 HydrophobicContact CD2-CG2 4.08Å; Y113-T140 HydrophobicContact CE2-CG2 4.25Å |
| 141 | N | 93.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 162.7 | -179.1 | -64.6 | -27.6 | 0 | 0 | 0 | 111.1 | V43 N44 E45 H110 | V43-N141 PolarHBondContact O-ND2 3.43Å; N44-N141 PolarHBondContact O-N 2.86Å; N44-N141 VanDerWaalsContact O-N 3.07Å; E45-N141 HydrophobicContact CG-CB 4.26Å; H110-N141 PolarHBondContact N-O 3.26Å |
| 142 | Q | 92.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 146 | 172.9 | -56 | -171.4 | 131.3 | 0 | 0 | 110.2 | H110 N172 G173 | H110-Q142 HydrophobicContact CB-CG 4.25Å; Q142-N172 CarbonylContact C-O 3.57Å; Q142-N172 WeakPolarHBondContact CA-O 3.33Å; Q142-N172 WeakPolarHBondContact CB-O 3.25Å; Q142-G173 VanDerWaalsContact OE1-CA 3.28Å |
| 143 | A | 91.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 62.5 Ų | 62.5 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | trans | -124.9 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E45 A109 N172 | E45-A143 HydrophobicContact CB-CB 4.21Å; E45-A143 HydrophobicContact CG-CB 4.41Å; E45-A143 WeakPolarHBondContact OE2-CB 3.37Å; A109-A143 HydrophobicContact CB-CB 3.65Å; A143-N172 HydrophobicContact CB-CB 4.07Å; A143-N172 PolarHBondContact N-O 2.92Å; A143-N172 WeakPolarHBondContact O-CB 3.4Å | ||
| 144 | A | 89.1 | Confident | 93.2 | Very high | 79 Ų | 79 | 67.7 Ų | 67.7 | 65% | 0.653 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 135.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N172 | A144-N172 PolarHBondContact O-ND2 2.8Š|
| 145 | P | 90.4 | Very high | 93.2 | Very high | 76 Ų | 76 | 71.8 Ų | 71.8 | 49% | 0.494 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 158.4 | 175.5 | 26.6 | -33.5 | 0 | 0 | 0 | 110.8 | P168 R170 P171 | P145-P168 HydrophobicContact CB-CB 4.35Å; P145-P168 HydrophobicContact CB-CG 4.09Å; P145-R170 WeakPolarHBondContact CA-O 3.49Å; P145-P171 WeakPolarHBondContact CB-O 3.26Å |
| 146 | S | 91.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 163 | 169.8 | 62 | 0 | 0 | 0 | 0 | 111.6 | P168 D169 R170 | S146-P168 WeakPolarHBondContact O-CB 3.4Å; S146-P168 VanDerWaalsContact OG-CB 3.31Å; S146-P168 WeakPolarHBondContact OG-CB 3.28Å; S146-D169 PolarHBondContact OG-N 3.33Å; S146-R170 PolarHBondContact N-O 3.49Å; S146-R170 PolarHBondContact OG-N 3.19Å; S146-R170 PolarHBondContact OG-O 3.06Å |
| 147 | S | 90.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 74.6 Ų | 74.6 | 73% | 0.734 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 146.5 | 171.1 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | A149 | S147-A149 PolarHBondContact O-N 2.87Š|
| 148 | I | 92.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 79.8 Ų | 79.8 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -72 | 120.8 | 170.1 | -67 | 161.1 | 0 | 0 | 0 | 108.3 | V151 W165 P168 | I148-V151 HydrophobicContact CG2-CG2 4.09Å; I148-W165 VanDerWaalsContact CD1-CD1 3.47Å; I148-W165 HydrophobicContact CD1-CG 4.04Å; I148-W165 HydrophobicContact CG2-CB 3.69Å; I148-W165 HydrophobicContact CG2-CG 4.22Å; I148-P168 HydrophobicContact CG1-CG 4.18Å |
| 149 | A | 89.7 | Confident | 93.6 | Very high | 90 Ų | 90 | 88 Ų | 88 | 74% | 0.744 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -74 | -28.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S147 | S147-A149 PolarHBondContact O-N 2.87Š|
| 150 | L | 92.1 | Very high | 93.7 | Very high | 90 Ų | 90 | 87.9 Ų | 87.9 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | trans | -144.9 | 125.4 | -174.2 | -172.6 | 65.3 | 0 | 0 | 0 | 112.1 | Q152 W165 | L150-Q152 HydrophobicContact CD2-CG 4.13Å; L150-Q152 HydrophobicContact CG-CG 4.04Å; L150-W165 WeakPolarHBondContact O-CB 3.25Å | ||
| 151 | V | 94.4 | Very high | 93.8 | Very high | 79 Ų | 79 | 91.9 Ų | 91.9 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.2 | 169.5 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | I148 L163 W165 | I148-V151 HydrophobicContact CG2-CG2 4.09Å; V151-L163 HydrophobicContact CG1-CB 4.27Å; V151-L163 HydrophobicContact CG1-CD1 4.45Å; V151-L163 HydrophobicContact CG1-CD2 4.2Å; V151-W165 HydrophobicContact CG1-CE3 4.31Å; V151-W165 HydrophobicContact CG2-CB 4.17Å |
| 152 | Q | 96.4 | Very high | 93.9 | Very high | 85 Ų | 85 | 90.2 Ų | 90.2 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.7 | -178.7 | -62.2 | -175.8 | -14.2 | 0 | 0 | 110.3 | L150 K154 L163 A164 | L150-Q152 HydrophobicContact CD2-CG 4.13Å; L150-Q152 HydrophobicContact CG-CG 4.04Å; Q152-K154 PolarHBondContact O-N 3.03Å; Q152-L163 CarbonylContact O-C 3.57Å; Q152-L163 WeakPolarHBondContact O-CA 3.27Å; Q152-A164 PolarHBondContact N-O 3.47Å; Q152-A164 PolarHBondContact O-N 3.23Å |
| 153 | A | 95.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 90.3 Ų | 90.3 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 118.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V156 V161 A162 L163 | A153-V156 HydrophobicContact CB-CG2 4.07Å; A153-V161 HydrophobicContact CB-CG1 4.02Å; A153-A162 CarbonylContact C-O 3.44Å; A153-A162 WeakPolarHBondContact CA-O 3.41Å; A153-L163 HydrophobicContact CB-CD2 4.22Å |
| 154 | K | 96.1 | Very high | 94.3 | Very high | 137 Ų | 137 | 91 Ų | 91 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -37.4 | 177.6 | -69.4 | -65.6 | 179.5 | -169.4 | 0 | 111.9 | Q152 A162 A164 | Q152-K154 PolarHBondContact O-N 3.03Å; K154-A162 PolarHBondContact N-O 2.92Å; K154-A164 HydrophobicContact CD-CB 4.3Å; K154-A164 HydrophobicContact CG-CB 3.59Å |
| 155 | E | 95.9 | Very high | 94.6 | Very high | 127 Ų | 127 | 94.4 Ų | 94.4 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.1 | 178.9 | -167 | 178.5 | 171 | 0 | 0 | 109.7 | V161 A162 | E155-V161 CarbonylContact O-C 3.52Å; E155-V161 WeakPolarHBondContact O-CA 3.38Å; E155-A162 HydrophobicContact CB-CB 3.98Å; E155-A162 PolarHBondContact O-N 3.45Å |
| 156 | V | 96.3 | Very high | 94.6 | Very high | 104 Ų | 104 | 97 Ų | 97 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119.4 | 179 | -179 | 0 | 0 | 0 | 0 | 107.9 | A153 V161 | A153-V156 HydrophobicContact CB-CG2 4.07Å; V156-V161 HydrophobicContact CG1-CG2 4.31Å; V156-V161 HydrophobicContact CG2-CG1 4.28Å |
| 157 | T | 97.1 | Very high | 94.6 | Very high | 58 Ų | 58 | 102.1 Ų | 102.1 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | trans | -113.3 | 177.2 | 172.1 | 82.8 | 0 | 0 | 0 | 0 | 109.7 | Y159 S160 | T157-Y159 PolarHBondContact O-N 3.45Å; T157-Y159 PolarHBondContact OG1-N 2.96Å; T157-S160 PolarHBondContact N-O 2.85Å; T157-S160 PolarHBondContact OG1-N 3.2Å; T157-S160 PolarHBondContact OG1-O 2.82Å; T157-S160 PolarHBondContact OG1-OG 3.21Å | ||
| 158 | R | 97 | Very high | 94.6 | Very high | 202 Ų | 202 | 98 Ų | 98 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -65.9 | -15.4 | 175.1 | 70.4 | -178.5 | -64.8 | -156.1 | 0.9 | 114.3 | ||
| 159 | Y | 96.6 | Very high | 94.4 | Very high | 183 Ų | 183 | 101.6 Ų | 101.6 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -129 | -6.2 | -175.1 | -58 | -54.3 | 0 | 0 | 0 | 113.9 | T157 | T157-Y159 PolarHBondContact O-N 3.45Å; T157-Y159 PolarHBondContact OG1-N 2.96Å |
| 160 | S | 95.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 104.5 Ų | 104.5 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | trans | -150.1 | 154.7 | -174.4 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | T157 | T157-S160 PolarHBondContact N-O 2.85Å; T157-S160 PolarHBondContact OG1-N 3.2Å; T157-S160 PolarHBondContact OG1-O 2.82Å; T157-S160 PolarHBondContact OG1-OG 3.21Å | ||
| 161 | V | 96.5 | Very high | 94 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 123.9 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | A153 E155 V156 L163 | A153-V161 HydrophobicContact CB-CG1 4.02Å; E155-V161 CarbonylContact O-C 3.52Å; E155-V161 WeakPolarHBondContact O-CA 3.38Å; V156-V161 HydrophobicContact CG1-CG2 4.31Å; V156-V161 HydrophobicContact CG2-CG1 4.28Å; V161-L163 HydrophobicContact CG1-CD2 3.76Å; V161-L163 HydrophobicContact CG1-CG 4.2Å |
| 162 | A | 96.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 100.4 Ų | 100.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109 | A153 K154 E155 | A153-A162 CarbonylContact C-O 3.44Å; A153-A162 WeakPolarHBondContact CA-O 3.41Å; K154-A162 PolarHBondContact N-O 2.92Å; E155-A162 HydrophobicContact CB-CB 3.98Å; E155-A162 PolarHBondContact O-N 3.45Å |
| 163 | L | 96.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 146.5 | 179.6 | -62.1 | 174.1 | 0 | 0 | 0 | 110.2 | V151 Q152 A153 V161 W165 | V151-L163 HydrophobicContact CG1-CB 4.27Å; V151-L163 HydrophobicContact CG1-CD1 4.45Å; V151-L163 HydrophobicContact CG1-CD2 4.2Å; Q152-L163 CarbonylContact O-C 3.57Å; Q152-L163 WeakPolarHBondContact O-CA 3.27Å; A153-L163 HydrophobicContact CB-CD2 4.22Å; V161-L163 HydrophobicContact CG1-CD2 3.76Å; V161-L163 HydrophobicContact CG1-CG 4.2Å; L163-W165 HydrophobicContact CB-CE3 4.3Å; L163-W165 HydrophobicContact CB-CZ3 4.05Å |
| 164 | A | 95.3 | Very high | 93 | Very high | 35 Ų | 35 | 98.9 Ų | 98.9 | 29% | 0.289 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q152 K154 | Q152-A164 PolarHBondContact N-O 3.47Å; Q152-A164 PolarHBondContact O-N 3.23Å; K154-A164 HydrophobicContact CD-CB 4.3Å; K154-A164 HydrophobicContact CG-CB 3.59Å |
| 165 | W | 94.3 | Very high | 92.3 | Very high | 150 Ų | 150 | 96.5 Ų | 96.5 | 57% | 0.568 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161.3 | 176.9 | 54.5 | 87.5 | 0 | 0 | 0 | 110.4 | I148 L150 V151 L163 | I148-W165 VanDerWaalsContact CD1-CD1 3.47Å; I148-W165 HydrophobicContact CD1-CG 4.04Å; I148-W165 HydrophobicContact CG2-CB 3.69Å; I148-W165 HydrophobicContact CG2-CG 4.22Å; L150-W165 WeakPolarHBondContact O-CB 3.25Å; V151-W165 HydrophobicContact CG1-CE3 4.31Å; V151-W165 HydrophobicContact CG2-CB 4.17Å; L163-W165 HydrophobicContact CB-CE3 4.3Å; L163-W165 HydrophobicContact CB-CZ3 4.05Å |
| 166 | L | 91.9 | Very high | 91.8 | Very high | 131 Ų | 131 | 97.8 Ų | 97.8 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -85.2 | 157.3 | 172.1 | -63.6 | 175.9 | 0 | 0 | 0 | 110.1 | ||
| 167 | E | 89.6 | Confident | 90.4 | Very high | 147 Ų | 147 | 105.8 Ų | 105.8 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 150.1 | 168.3 | -72.4 | -174.9 | 174.5 | 0 | 0 | 110.8 | I175 | E167-I175 HydrophobicContact CG-CD1 4.32Š|
| 168 | P | 90.6 | Very high | 90 | Very high | 17 Ų | 17 | 108.2 Ų | 108.2 | 11% | 0.11 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -56 | 141.7 | 171.6 | -21.9 | 32.7 | 0 | 0 | 0 | 111.4 | P145 S146 I148 R170 P171 I175 | P145-P168 HydrophobicContact CB-CB 4.35Å; P145-P168 HydrophobicContact CB-CG 4.09Å; S146-P168 WeakPolarHBondContact O-CB 3.4Å; S146-P168 VanDerWaalsContact OG-CB 3.31Å; S146-P168 WeakPolarHBondContact OG-CB 3.28Å; I148-P168 HydrophobicContact CG1-CG 4.18Å; P168-R170 PolarHBondContact O-N 2.91Å; P168-P171 WeakPolarHBondContact O-CD 3.46Å; P168-I175 HydrophobicContact CG-CD1 4.44Å |
| 169 | D | 88.8 | Confident | 89.7 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 77% | 0.77 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -53.2 | -31.4 | 174.6 | -68.8 | -23.7 | 0 | 0 | 0 | 112.5 | S146 | S146-D169 PolarHBondContact OG-N 3.33Š|
| 170 | R | 87 | Confident | 89.3 | Confident | 151 Ų | 151 | 98.8 Ų | 98.8 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | trans | -129.4 | 95.7 | 174.2 | -61.1 | -174.8 | -173.7 | -160.5 | 3 | 109.8 | P145 S146 P168 N172 | P145-R170 WeakPolarHBondContact CA-O 3.49Å; S146-R170 PolarHBondContact N-O 3.49Å; S146-R170 PolarHBondContact OG-N 3.19Å; S146-R170 PolarHBondContact OG-O 3.06Å; P168-R170 PolarHBondContact O-N 2.91Å; R170-N172 PolarHBondContact O-N 3.43Å | ||
| 171 | P | 86.8 | Confident | 88.9 | Confident | 44 Ų | 44 | 100.7 Ų | 100.7 | 29% | 0.286 | 52% | 0.52 | S | S | . | . | trans | -62.3 | -27.2 | 174.5 | -25.2 | 36.1 | 0 | 0 | 0 | 112.7 | P145 P168 G173 I175 | P145-P171 WeakPolarHBondContact CB-O 3.26Å; P168-P171 WeakPolarHBondContact O-CD 3.46Å; P171-G173 WeakPolarHBondContact CB-O 3.35Å; P171-G173 PolarHBondContact O-N 3.22Å; P171-I175 HydrophobicContact CB-CD1 4.19Å; P171-I175 HydrophobicContact CB-CG1 4.24Å | ||
| 172 | N | 90.1 | Very high | 88.4 | Confident | 39 Ų | 39 | 101.7 Ų | 101.7 | 21% | 0.209 | 52% | 0.52 | C | S | . | . | trans | 51.8 | 22.3 | -178.1 | -69.2 | -23.6 | 0 | 0 | 0 | 114.1 | A109 Q142 A143 A144 R170 | A109-N172 HydrophobicContact CB-CB 3.81Å; Q142-N172 CarbonylContact C-O 3.57Å; Q142-N172 WeakPolarHBondContact CA-O 3.33Å; Q142-N172 WeakPolarHBondContact CB-O 3.25Å; A143-N172 HydrophobicContact CB-CB 4.07Å; A143-N172 PolarHBondContact N-O 2.92Å; A143-N172 WeakPolarHBondContact O-CB 3.4Å; A144-N172 PolarHBondContact O-ND2 2.8Å; R170-N172 PolarHBondContact O-N 3.43Å | ||
| 173 | G | 87.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 105.5 Ų | 105.5 | 16% | 0.155 | 53% | 0.531 | C | S | . | . | S | Bend | trans | 159.1 | -176.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q142 P171 | Q142-G173 VanDerWaalsContact OE1-CA 3.28Å; P171-G173 WeakPolarHBondContact CB-O 3.35Å; P171-G173 PolarHBondContact O-N 3.22Å |
| 174 | V | 87 | Confident | 87.3 | Confident | 97 Ų | 97 | 106 Ų | 106 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 125.1 | 167.6 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 175 | I | 81.8 | Confident | 86.7 | Confident | 88 Ų | 88 | 111.5 Ų | 111.5 | 45% | 0.451 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 127.4 | 173.6 | -58.8 | 173.2 | 0 | 0 | 0 | 107.9 | E167 P168 P171 | E167-I175 HydrophobicContact CG-CD1 4.32Å; P168-I175 HydrophobicContact CG-CD1 4.44Å; P171-I175 HydrophobicContact CB-CD1 4.19Å; P171-I175 HydrophobicContact CB-CG1 4.24Å |
| 176 | L | 84.9 | Confident | 86 | Confident | 153 Ų | 153 | 108.3 Ų | 108.3 | 80% | 0.801 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 142.2 | 178.2 | -57.4 | 176.1 | 0 | 0 | 0 | 110 | ||
| 177 | E | 66.4 | Low | 85.5 | Confident | 273 Ų | 273 | 106.2 Ų | 106.2 | 100% | 1.276 | 54% | 0.537 | S | S | * | . | trans | -80.8 | 0 | 175.7 | -68.4 | -171.2 | 163 | 0 | 0 | 113.3 |
Retrieved 177 of 177 residues in 285.7 ms
(Link to these results)