| 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 | 35.8 | Very low | 29.2 | Very low | 236 Ų | 236 | 176.1 Ų | 176.1 | 100% | 1.163 | 84% | 0.842 | S | S | * | * | 0 | 118.7 | 0 | -98.9 | 177.7 | -174 | 0 | 0 | 108.5 | |||||
| 2 | R | 28.6 | Very low | 29.3 | Very low | 207 Ų | 207 | 168.2 Ų | 168.2 | 78% | 0.781 | 84% | 0.841 | S | S | * | * | trans | 43.9 | 126 | 144.1 | -67.5 | -176.2 | 179.5 | -169.1 | 2.4 | 118 | ||||
| 3 | R | 29.8 | Very low | 29.5 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 70% | 0.698 | 84% | 0.84 | S | S | * | * | cis | -167.2 | 140.8 | 20.7 | -101.1 | 156.6 | -176 | -173.1 | 0.6 | 109.7 | ||||
| 4 | N | 27.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 162.5 Ų | 162.5 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | -81.1 | 147.8 | 159.5 | -96.9 | -12.1 | 0 | 0 | 0 | 110.6 | ||||
| 5 | F | 31.1 | Very low | 29.8 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -152.7 | 129.6 | 150.7 | -76.5 | -82.2 | 0 | 0 | 0 | 104.3 | ||||
| 6 | G | 30.1 | Very low | 29.8 | Very low | 69 Ų | 69 | 158.3 Ų | 158.3 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | cis | 150.6 | 123.1 | 13.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 7 | N | 27.2 | Very low | 30 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | -61.4 | 151.1 | -177.5 | -78.4 | -14.6 | 0 | 0 | 0 | 114.2 | ||||
| 8 | W | 27.3 | Very low | 29.9 | Very low | 258 Ų | 258 | 159.9 Ų | 159.9 | 98% | 0.977 | 84% | 0.835 | S | S | * | * | trans | -143.2 | 118.8 | 143.8 | -75 | 97.9 | 0 | 0 | 0 | 110.4 | ||||
| 9 | H | 26.8 | Very low | 30 | Very low | 156 Ų | 156 | 161.5 Ų | 161.5 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | trans | -91.6 | 147.3 | 168.3 | -95.9 | -93.4 | 0 | 0 | 0 | 109.6 | ||||
| 10 | V | 31.8 | Very low | 30.1 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -139.9 | 118.4 | 151.1 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 11 | E | 25.8 | Very low | 30 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | -82.9 | 144.1 | 166.3 | -74.1 | 176.7 | 147.5 | 0 | 0 | 110 | ||||
| 12 | G | 30.4 | Very low | 29.6 | Very low | 81 Ų | 81 | 153.1 Ų | 153.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -158.2 | 130.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 13 | A | 31.8 | Very low | 29.7 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -75.2 | 143.7 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 14 | I | 28.4 | Very low | 29.8 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -1.9 | 129.1 | 145.5 | -47.8 | 167.6 | 0 | 0 | 0 | 118.4 | ||||
| 15 | S | 35 | Very low | 30.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | -154.7 | 137.8 | 124.8 | 69.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 16 | D | 29.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -54.8 | 137.7 | -173 | -59.6 | -58.7 | 0 | 0 | 0 | 114.6 | ||||
| 17 | D | 33.3 | Very low | 30.5 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -160.1 | 144 | 135.3 | -104.3 | -27.2 | 0 | 0 | 0 | 112.5 | ||||
| 18 | Q | 29 | Very low | 30.8 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | -59.1 | 124.3 | -165.3 | -58.9 | 177.3 | -39 | 0 | 0 | 113.8 | ||||
| 19 | Q | 31.2 | Very low | 31 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -143.3 | 122.6 | 159.8 | -110.8 | 171.2 | 13.2 | 0 | 0 | 111.7 | L21 | Q19-L21 PolarHBondContact O-N 3.38Š| ||
| 20 | A | 31.6 | Very low | 31.3 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 76% | 0.761 | S | S | * | * | trans | -55.5 | 120.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | S22 | A20-S22 PolarHBondContact O-N 3.32Š| ||
| 21 | L | 27.4 | Very low | 31.6 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -67.8 | 98.2 | 174.1 | -82.7 | 152.6 | 0 | 0 | 0 | 110.3 | Q19 T23 | Q19-L21 PolarHBondContact O-N 3.38Å; L21-T23 PolarHBondContact O-N 2.91Å | ||
| 22 | S | 28.9 | Very low | 32.3 | Very low | 114 Ų | 114 | 117.7 Ų | 117.7 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -76.1 | 95.9 | 153.9 | 169.1 | 0 | 0 | 0 | 0 | 107.8 | A20 A24 | A20-S22 PolarHBondContact O-N 3.32Å; S22-A24 PolarHBondContact O-N 2.75Å | ||
| 23 | T | 30.6 | Very low | 32.7 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | -73.4 | 89.4 | 177.9 | -45.3 | 0 | 0 | 0 | 0 | 109.4 | L21 L25 | L21-T23 PolarHBondContact O-N 2.91Å; T23-L25 PolarHBondContact O-N 3.42Å | ||
| 24 | A | 31.8 | Very low | 33 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | trans | -63.8 | 113.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | S22 V26 | S22-A24 PolarHBondContact O-N 2.75Å; A24-V26 PolarHBondContact O-N 2.65Å | ||
| 25 | L | 32.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | trans | -58.2 | 100.4 | 174.5 | -95.9 | 141 | 0 | 0 | 0 | 110.2 | T23 V27 H236 | T23-L25 PolarHBondContact O-N 3.42Å; L25-V27 PolarHBondContact O-N 3.28Å; L25-H236 VanDerWaalsContact CD1-CD2 3.49Å; L25-H236 WeakPolarHBondContact CD1-CD2 3.3Å | ||
| 26 | V | 32.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | trans | -78.5 | 93.7 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | A24 | A24-V26 PolarHBondContact O-N 2.65Š| ||
| 27 | V | 38.1 | Very low | 34.9 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | trans | -76.5 | 122.3 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | L25 | L25-V27 PolarHBondContact O-N 3.28Š| ||
| 28 | P | 32.9 | Very low | 36 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | trans | -65.5 | 139.1 | -173.8 | 21.5 | -29.6 | 0 | 0 | 0 | 113.3 | S30 A31 | P28-S30 PolarHBondContact O-N 2.82Å; P28-A31 PolarHBondContact O-N 3.42Å | ||
| 29 | Y | 32.2 | Very low | 38 | Very low | 150 Ų | 150 | 114.1 Ų | 114.1 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -57.8 | -18.7 | -171.9 | -164.8 | -104.2 | 0 | 0 | 0 | 115.5 | R71 | Y29-R71 PolarHBondContact OH-NH1 3.06Å |
| 30 | S | 33.5 | Very low | 40.5 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 62% | 0.622 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.9 | -26.3 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | P28 | P28-S30 PolarHBondContact O-N 2.82Å |
| 31 | A | 37.1 | Very low | 43.2 | Very low | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.9 | -32.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P28 | P28-A31 PolarHBondContact O-N 3.42Å |
| 32 | V | 40 | Very low | 46.3 | Very low | 57 Ų | 57 | 98 Ų | 98 | 35% | 0.345 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.9 | -29.3 | -175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | Q34 | V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.34Å |
| 33 | R | 39.4 | Very low | 49.5 | Very low | 185 Ų | 185 | 97.7 Ų | 97.7 | 70% | 0.698 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.4 | -177.5 | -109.7 | -174.5 | -179.3 | -162.5 | -0.9 | 114.9 | ||
| 34 | Q | 37.9 | Very low | 52.7 | Low | 160 Ų | 160 | 92.7 Ų | 92.7 | 75% | 0.748 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -14.9 | 177.8 | -81.5 | -176.6 | -46.6 | 0 | 0 | 113.8 | V32 | V32-Q34 VanDerWaalsContact C-N 3.33Å; V32-Q34 PolarHBondContact O-N 3.34Å |
| 35 | L | 44.6 | Very low | 55.8 | Low | 64 Ų | 64 | 91.6 Ų | 91.6 | 34% | 0.335 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.6 | -177 | -103.5 | 92.5 | 0 | 0 | 0 | 115.4 | H37 P230 D231 | L35-H37 PolarHBondContact O-N 3.49Å; L35-P230 HydrophobicContact CD2-CB 3.94Å; L35-D231 HydrophobicContact CD2-CB 3.96Å |
| 36 | E | 44.1 | Very low | 58.9 | Low | 129 Ų | 129 | 85.9 Ų | 85.9 | 60% | 0.603 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.4 | 175 | -73 | 178.1 | 163.1 | 0 | 0 | 113 | ||
| 37 | H | 45.2 | Very low | 62 | Low | 164 Ų | 164 | 82.5 Ų | 82.5 | 76% | 0.759 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -105.6 | 109.4 | 164.5 | -67.4 | -100.5 | 0 | 0 | 0 | 108.1 | L35 | L35-H37 PolarHBondContact O-N 3.49Š|
| 38 | T | 55.6 | Low | 64.8 | Low | 113 Ų | 113 | 82.3 Ų | 82.3 | 69% | 0.693 | 43% | 0.426 | S | S | * | . | cis | -153.5 | 92.5 | 5 | 33 | 0 | 0 | 0 | 0 | 104.9 | T40 | T38-T40 PolarHBondContact O-N 2.86Š| ||
| 39 | L | 70 | Confident | 67.8 | Low | 52 Ų | 52 | 80 Ų | 80 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | trans | -66.6 | 115.2 | 171.3 | -66.9 | 178.9 | 0 | 0 | 0 | 107.3 | G41 W67 D226 P230 | L39-G41 PolarHBondContact O-N 2.89Å; L39-W67 HydrophobicContact CB-CB 4.49Å; L39-W67 HydrophobicContact CD1-CB 3.39Å; L39-W67 HydrophobicContact CD1-CD2 4.43Å; L39-W67 HydrophobicContact CD1-CG 3.52Å; L39-D226 WeakPolarHBondContact CD2-O 3.32Å; L39-P230 HydrophobicContact CD1-CG 3.95Å | ||
| 40 | T | 83.6 | Confident | 70.8 | Confident | 87 Ų | 87 | 74 Ų | 74 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | trans | -78.2 | -7.9 | -172.2 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | T38 | T38-T40 PolarHBondContact O-N 2.86Š| ||
| 41 | G | 89 | Confident | 73.6 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | trans | 69.1 | -167.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L39 L65 R227 | L39-G41 PolarHBondContact O-N 2.89Å; G41-L65 CarbonylContact C-O 3.47Å; G41-L65 WeakPolarHBondContact CA-O 3.26Å; G41-R227 PolarHBondContact N-O 2.84Å | ||
| 42 | N | 92.6 | Very high | 76.3 | Confident | 27 Ų | 27 | 74 Ų | 74 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 117.9 | 177.4 | -173.3 | 28 | 0 | 0 | 0 | 110.7 | L65 Y182 L228 | N42-L65 HydrophobicContact CB-CB 4.49Å; N42-L65 PolarHBondContact N-O 2.85Å; N42-L65 PolarHBondContact O-N 2.77Å; N42-Y182 PolarHBondContact ND2-OH 3.14Å; N42-L228 HydrophobicContact CB-CD1 4.22Å; N42-L228 HydrophobicContact CB-CD2 3.84Å; N42-L228 HydrophobicContact CB-CG 4.18Å |
| 43 | D | 96.1 | Very high | 78.9 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | 178.1 | -59.8 | -71.8 | 0 | 0 | 0 | 111.2 | F63 H64 | D43-F63 WeakPolarHBondContact CA-O 3.3Å; D43-H64 WeakPolarHBondContact OD1-CB 3.41Å; D43-H64 IonicContact OD1-CE1 2.74Å; D43-H64 IonicContact OD1-CG 3.26Å; D43-H64 IonicContact OD1-ND1 3.72Å; D43-H64 PolarHBondContact OD1-ND1 3.02Å; D43-H64 IonicContact OD2-ND1 2.77Å |
| 44 | F | 97.4 | Very high | 81.6 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 167.4 | 172.1 | 61 | -90.1 | 0 | 0 | 0 | 112.1 | F63 L65 Y182 A184 F199 | F44-F63 HydrophobicContact CD1-CB 4.14Å; F44-F63 HydrophobicContact CD2-CB 3.88Å; F44-F63 HydrophobicContact CD2-CD2 4.1Å; F44-F63 HydrophobicContact CD2-CG 4.16Å; F44-F63 HydrophobicContact CE1-CB 3.74Å; F44-F63 HydrophobicContact CE1-CG 4.42Å; F44-F63 HydrophobicContact CE2-CB 3.4Å; F44-F63 VanDerWaalsContact CE2-CB 3.4Å; F44-F63 AromaticContact CE2-CD1 4Å; F44-F63 HydrophobicContact CE2-CD1 4Å; F44-F63 AromaticContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CE2 4.27Å; F44-F63 AromaticContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CG-CB 4.22Å; F44-F63 HydrophobicContact CZ-CB 3.34Å; F44-F63 AromaticContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD2 4.19Å; F44-F63 AromaticContact CZ-CG 3.54Å; F44-F63 HydrophobicContact CZ-CG 3.54Å; F44-F63 PolarHBondContact N-O 2.79Å; F44-F63 PolarHBondContact O-N 2.83Å; F44-L65 HydrophobicContact CD1-CD1 4.37Å; F44-L65 HydrophobicContact CE1-CD1 3.42Å; F44-L65 VanDerWaalsContact CE1-CD1 3.42Å; F44-L65 HydrophobicContact CE1-CD2 4.46Å; F44-L65 HydrophobicContact CZ-CD1 3.93Å; F44-Y182 AromaticContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CE1-CD2 4.36Å; F44-Y182 AromaticContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CG-CE2 4.46Å; F44-Y182 HydrophobicContact CZ-CE2 4.14Å; F44-A184 HydrophobicContact CD2-CB 4.44Å; F44-A184 HydrophobicContact CE2-CB 3.37Å; F44-A184 HydrophobicContact CZ-CB 3.76Å; F44-F199 HydrophobicContact CB-CD2 3.9Å; F44-F199 HydrophobicContact CB-CE1 4.45Å; F44-F199 HydrophobicContact CB-CE2 3.5Å; F44-F199 VanDerWaalsContact CB-CE2 3.5Å; F44-F199 HydrophobicContact CB-CZ 3.76Å; F44-F199 HydrophobicContact CD2-CB 4.09Å; F44-F199 HydrophobicContact CD2-CD1 4.19Å; F44-F199 AromaticContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CE2 4.3Å; F44-F199 AromaticContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CE2-CB 4.37Å; F44-F199 HydrophobicContact CE2-CG 4.39Å; F44-F199 HydrophobicContact CG-CD1 4.46Å; F44-F199 HydrophobicContact CG-CD2 4.18Å; F44-F199 HydrophobicContact CG-CE1 4.39Å; F44-F199 HydrophobicContact CG-CE2 4.13Å; F44-F199 HydrophobicContact CG-CG 4.32Å; F44-F199 HydrophobicContact CG-CZ 4.18Å |
| 45 | V | 97.9 | Very high | 84.3 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.8 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | N47 F61 F199 | V45-N47 HydrophobicContact CG2-CB 4.27Å; V45-F61 CarbonylContact C-O 3.57Å; V45-F61 VanDerWaalsContact CA-O 3.31Å; V45-F61 WeakPolarHBondContact CA-O 3.28Å; V45-F199 WeakPolarHBondContact O-CD2 3.39Å |
| 46 | V | 98.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 103.2 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 106.8 | P60 F61 F63 A184 A186 E197 F199 | V46-P60 WeakPolarHBondContact O-CB 3.46Å; V46-F61 HydrophobicContact CB-CB 4.28Å; V46-F61 PolarHBondContact N-O 2.93Å; V46-F61 PolarHBondContact O-N 3.19Å; V46-F63 HydrophobicContact CB-CE2 4.3Å; V46-F63 HydrophobicContact CG2-CD2 4.08Å; V46-F63 HydrophobicContact CG2-CE2 3.53Å; V46-F63 HydrophobicContact CG2-CZ 4.35Å; V46-A184 HydrophobicContact CG2-CB 4.12Å; V46-A186 HydrophobicContact CG1-CB 4.14Å; V46-E197 HydrophobicContact CG1-CB 3.51Å; V46-F199 HydrophobicContact CG2-CB 4Å |
| 47 | N | 96.9 | Very high | 89 | Confident | 62 Ų | 62 | 69 Ų | 69 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | trans | -136.6 | 15.3 | -172 | 69.3 | -9.6 | 0 | 0 | 0 | 113.7 | V45 V55 P60 | V45-N47 HydrophobicContact CG2-CB 4.27Å; N47-V55 PolarHBondContact O-N 2.88Å; N47-P60 HydrophobicContact CB-CB 3.8Å | ||
| 48 | K | 96.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 63 Ų | 63 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.8 | 177.9 | -66 | 170 | -167.3 | 169.5 | 0 | 109.3 | D53 E197 A198 P201 | K48-D53 CarbonylContact C-O 3.58Å; K48-D53 WeakPolarHBondContact CA-O 3.45Å; K48-E197 CarbonylContact O-C 3.44Å; K48-E197 WeakPolarHBondContact O-CA 3.28Å; K48-E197 WeakPolarHBondContact O-CB 3.04Å; K48-A198 PolarHBondContact O-N 3.41Å; K48-P201 HydrophobicContact CB-CG 4.46Å; K48-P201 HydrophobicContact CD-CG 4.11Å |
| 49 | T | 95.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 163.9 | 165 | 70.9 | 0 | 0 | 0 | 0 | 109.8 | R51 G52 D53 | T49-R51 PolarHBondContact O-N 3.49Å; T49-R51 PolarHBondContact OG1-N 3.44Å; T49-G52 PolarHBondContact O-N 2.74Å; T49-G52 PolarHBondContact OG1-N 3.32Å; T49-D53 HydrophobicContact CG2-CB 4Å; T49-D53 PolarHBondContact N-O 3.31Å; T49-D53 WeakPolarHBondContact OG1-CB 3.19Å; T49-D53 PolarHBondContact OG1-N 3.31Å; T49-D53 VanDerWaalsContact OG1-N 3.09Å; T49-D53 PolarHBondContact OG1-OD2 2.64Å |
| 50 | W | 94.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19.8 | 171.6 | 69 | -90.7 | 0 | 0 | 0 | 114.1 | V196 P201 V202 S203 D209 P212 | W50-V196 HydrophobicContact CB-CG1 4.07Å; W50-V196 VanDerWaalsContact CD1-O 3.27Å; W50-V196 HydrophobicContact CG-CB 4.42Å; W50-V196 HydrophobicContact CG-CG1 4.42Å; W50-V196 PolarHBondContact N-O 3.02Å; W50-P201 WeakPolarHBondContact O-CA 3.49Å; W50-P201 WeakPolarHBondContact O-CB 2.78Å; W50-V202 HydrophobicContact CB-CG2 4.13Å; W50-V202 PolarHBondContact O-N 2.86Å; W50-S203 PolarHBondContact O-N 2.9Å; W50-D209 HydrophobicContact CH2-CB 4.48Å; W50-D209 WeakPolarHBondContact CH2-OD1 3.13Å; W50-D209 HydrophobicContact CZ3-CB 4.46Å; W50-D209 VanDerWaalsContact CZ3-CG 3.45Å; W50-D209 VanDerWaalsContact CZ3-OD1 3.23Å; W50-D209 WeakPolarHBondContact CZ3-OD1 3.47Å; W50-D209 WeakPolarHBondContact CZ3-OD2 3.26Å; W50-P212 HydrophobicContact CB-CB 4.13Å; W50-P212 HydrophobicContact CD2-CB 3.72Å; W50-P212 HydrophobicContact CE3-CB 4.16Å; W50-P212 HydrophobicContact CG-CB 3.73Å |
| 51 | R | 93.3 | Very high | 95.3 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -15.7 | 173.4 | -61.9 | -175.6 | -177.6 | -77.7 | 1.2 | 114.2 | T49 D209 | T49-R51 PolarHBondContact O-N 3.49Å; T49-R51 PolarHBondContact OG1-N 3.44Å; R51-D209 PolarHBondContact NH1-O 2.89Å; R51-D209 PolarHBondContact NH2-O 2.77Å |
| 52 | G | 93.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 100.3 | 2.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T49 | T49-G52 PolarHBondContact O-N 2.74Å; T49-G52 PolarHBondContact OG1-N 3.32Å |
| 53 | D | 94.2 | Very high | 96 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -68 | 139 | 172.5 | -53.3 | -60.9 | 0 | 0 | 0 | 109.8 | K48 T49 | K48-D53 CarbonylContact C-O 3.58Å; K48-D53 WeakPolarHBondContact CA-O 3.45Å; T49-D53 HydrophobicContact CG2-CB 4Å; T49-D53 PolarHBondContact N-O 3.31Å; T49-D53 WeakPolarHBondContact OG1-CB 3.19Å; T49-D53 PolarHBondContact OG1-N 3.31Å; T49-D53 VanDerWaalsContact OG1-N 3.09Å; T49-D53 PolarHBondContact OG1-OD2 2.64Å |
| 54 | P | 96.5 | Very high | 96 | Very high | 97 Ų | 97 | 59 Ų | 59 | 63% | 0.63 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -61.5 | 138.2 | 176.6 | -22 | 33.3 | 0 | 0 | 0 | 112.3 | T56 | P54-T56 HydrophobicContact CB-CG2 4.41Å |
| 55 | V | 95.8 | Very high | 96 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 126.5 | 169.1 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | N47 H58 E197 | N47-V55 PolarHBondContact O-N 2.88Å; V55-H58 VanDerWaalsContact CG1-CE1 3.48Å; V55-H58 WeakPolarHBondContact CG1-CE1 3.45Å; V55-E197 HydrophobicContact CG2-CB 4.41Å; V55-E197 HydrophobicContact CG2-CG 3.66Å |
| 56 | T | 94.6 | Very high | 95.9 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 76% | 0.761 | 31% | 0.309 | S | S | * | . | trans | -132 | -8.1 | -174.7 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | P54 | P54-T56 HydrophobicContact CB-CG2 4.41Š| ||
| 57 | E | 92.7 | Very high | 95.5 | Very high | 151 Ų | 151 | 60.4 Ų | 60.4 | 71% | 0.706 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -86 | -21.1 | -173.7 | -62.3 | -179.7 | 177.6 | 0 | 0 | 112.9 | H195 | E57-H195 IonicContact OE2-CE1 2.87Å; E57-H195 PolarHBondContact OE2-CE1 2.69Å |
| 58 | H | 95 | Very high | 95.1 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -153 | 171.1 | 179.4 | 57.2 | 81.1 | 0 | 0 | 0 | 110.7 | V55 P88 F90 H188 E197 | V55-H58 VanDerWaalsContact CG1-CE1 3.48Å; V55-H58 WeakPolarHBondContact CG1-CE1 3.45Å; H58-P88 HydrophobicContact CB-CG 4.41Å; H58-F90 HydrophobicContact CB-CE1 4.42Å; H58-F90 HydrophobicContact CB-CZ 4.35Å; H58-F90 AromaticContact CD2-CE1 3.75Å; H58-F90 AromaticContact CD2-CZ 3.51Å; H58-F90 AromaticContact CE1-CZ 3.74Å; H58-F90 AromaticContact CG-CZ 3.64Å; H58-F90 AromaticContact ND1-CZ 3.79Å; H58-F90 AromaticContact NE2-CZ 3.59Å; H58-H188 AromaticContact CE1-NE2 3.83Å; H58-H188 AromaticContact NE2-CE1 3.59Å; H58-H188 AromaticContact NE2-NE2 3.26Å; H58-H188 PolarHBondContact NE2-NE2 3.23Å; H58-E197 IonicContact CE1-OE1 2.63Å; H58-E197 PolarHBondContact CE1-OE1 2.86Å; H58-E197 IonicContact CE1-OE2 3.21Å; H58-E197 PolarHBondContact CE1-OE2 3.01Å; H58-E197 IonicContact NE2-OE1 3.9Å; H58-E197 PolarHBondContact NE2-OE1 3.42Å |
| 59 | E | 95 | Very high | 94.4 | Very high | 151 Ų | 151 | 59.7 Ų | 59.7 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 144.3 | 172.4 | -67.7 | -61.7 | 144.8 | 0 | 0 | 111.2 | P88 | E59-P88 WeakPolarHBondContact O-CD 3.46Š|
| 60 | P | 96.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 62 Ų | 62 | 26% | 0.26 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 154.7 | -179.2 | 30.7 | -35.1 | 0 | 0 | 0 | 112.1 | V46 N47 | V46-P60 WeakPolarHBondContact O-CB 3.46Å; N47-P60 HydrophobicContact CB-CB 3.8Å |
| 61 | F | 98 | Very high | 92.6 | Very high | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129 | 168.8 | -73.4 | -94.6 | 0 | 0 | 0 | 110.5 | V45 V46 F63 V85 D86 P88 F90 V112 W164 A186 | V45-F61 CarbonylContact C-O 3.57Å; V45-F61 VanDerWaalsContact CA-O 3.31Å; V45-F61 WeakPolarHBondContact CA-O 3.28Å; V46-F61 HydrophobicContact CB-CB 4.28Å; V46-F61 PolarHBondContact N-O 2.93Å; V46-F61 PolarHBondContact O-N 3.19Å; F61-F63 HydrophobicContact CB-CD2 4.41Å; F61-F63 HydrophobicContact CB-CE2 3.73Å; F61-V85 HydrophobicContact CD1-CG1 3.94Å; F61-D86 CarbonylContact C-O 3.59Å; F61-D86 WeakPolarHBondContact CA-O 3.49Å; F61-P88 HydrophobicContact CE2-CG 3.88Å; F61-P88 HydrophobicContact CZ-CG 3.94Å; F61-P88 VanDerWaalsContact CZ-O 3.31Å; F61-P88 WeakPolarHBondContact CZ-O 3.47Å; F61-F90 AromaticContact CE2-CE2 3.88Å; F61-F90 HydrophobicContact CE2-CE2 3.88Å; F61-F90 AromaticContact CZ-CE2 3.92Å; F61-F90 HydrophobicContact CZ-CE2 3.92Å; F61-V112 HydrophobicContact CD1-CG1 3.8Å; F61-V112 HydrophobicContact CE1-CG1 3.88Å; F61-V112 HydrophobicContact CG-CG1 4.33Å; F61-V112 HydrophobicContact CZ-CG1 4.44Å; F61-W164 AromaticContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CZ3 4.12Å; F61-W164 HydrophobicContact CZ-CE3 4.47Å; F61-A186 HydrophobicContact CD2-CB 3.42Å; F61-A186 VanDerWaalsContact CD2-CB 3.42Å; F61-A186 HydrophobicContact CE2-CB 3.62Å; F61-A186 HydrophobicContact CG-CB 4.08Å; F61-A186 HydrophobicContact CZ-CB 4.41Å |
| 62 | S | 98.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.4 | 176 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | V85 D86 | S62-V85 WeakPolarHBondContact O-CA 3.3Å; S62-D86 PolarHBondContact N-O 3.41Å; S62-D86 PolarHBondContact O-N 3.14Å |
| 63 | F | 98.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 76.3 Ų | 76.3 | 2% | 0.022 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.8 | 179.6 | -70.8 | -105.6 | 0 | 0 | 0 | 110.4 | D43 F44 V46 F61 L65 V83 Y84 V85 V112 V114 A184 | D43-F63 WeakPolarHBondContact CA-O 3.3Å; F44-F63 HydrophobicContact CD1-CB 4.14Å; F44-F63 HydrophobicContact CD2-CB 3.88Å; F44-F63 HydrophobicContact CD2-CD2 4.1Å; F44-F63 HydrophobicContact CD2-CG 4.16Å; F44-F63 HydrophobicContact CE1-CB 3.74Å; F44-F63 HydrophobicContact CE1-CG 4.42Å; F44-F63 HydrophobicContact CE2-CB 3.4Å; F44-F63 VanDerWaalsContact CE2-CB 3.4Å; F44-F63 AromaticContact CE2-CD1 4Å; F44-F63 HydrophobicContact CE2-CD1 4Å; F44-F63 AromaticContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CD2 3.53Å; F44-F63 HydrophobicContact CE2-CE2 4.27Å; F44-F63 AromaticContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CE2-CG 3.37Å; F44-F63 HydrophobicContact CG-CB 4.22Å; F44-F63 HydrophobicContact CZ-CB 3.34Å; F44-F63 AromaticContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD1 3.85Å; F44-F63 HydrophobicContact CZ-CD2 4.19Å; F44-F63 AromaticContact CZ-CG 3.54Å; F44-F63 HydrophobicContact CZ-CG 3.54Å; F44-F63 PolarHBondContact N-O 2.79Å; F44-F63 PolarHBondContact O-N 2.83Å; V46-F63 HydrophobicContact CB-CE2 4.3Å; V46-F63 HydrophobicContact CG2-CD2 4.08Å; V46-F63 HydrophobicContact CG2-CE2 3.53Å; V46-F63 HydrophobicContact CG2-CZ 4.35Å; F61-F63 HydrophobicContact CB-CD2 4.41Å; F61-F63 HydrophobicContact CB-CE2 3.73Å; F63-L65 HydrophobicContact CB-CD1 4.09Å; F63-V83 HydrophobicContact CD1-CG1 4.1Å; F63-Y84 VanDerWaalsContact CA-O 3.32Å; F63-Y84 WeakPolarHBondContact CA-O 3.24Å; F63-V85 HydrophobicContact CD1-CG1 4.42Å; F63-V85 HydrophobicContact CD1-CG2 3.67Å; F63-V85 HydrophobicContact CE1-CB 4.4Å; F63-V85 HydrophobicContact CE1-CG1 4.03Å; F63-V85 HydrophobicContact CE1-CG2 3.53Å; F63-V85 HydrophobicContact CE2-CG1 4.24Å; F63-V85 HydrophobicContact CZ-CG1 3.93Å; F63-V85 HydrophobicContact CZ-CG2 4.28Å; F63-V112 HydrophobicContact CE1-CB 4.36Å; F63-V112 HydrophobicContact CE1-CG2 4.49Å; F63-V112 HydrophobicContact CZ-CB 3.93Å; F63-V112 HydrophobicContact CZ-CG1 4.14Å; F63-V112 HydrophobicContact CZ-CG2 4.48Å; F63-V114 HydrophobicContact CD1-CG2 4.08Å; F63-V114 HydrophobicContact CE1-CG2 3.81Å; F63-A184 HydrophobicContact CZ-CB 4.42Å |
| 64 | H | 97.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 76 Ų | 76 | 25% | 0.25 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127 | 167.7 | 175.9 | 72.3 | 0 | 0 | 0 | 109.3 | D43 E66 Y84 | D43-H64 WeakPolarHBondContact OD1-CB 3.41Å; D43-H64 IonicContact OD1-CE1 2.74Å; D43-H64 IonicContact OD1-CG 3.26Å; D43-H64 IonicContact OD1-ND1 3.72Å; D43-H64 PolarHBondContact OD1-ND1 3.02Å; D43-H64 IonicContact OD2-ND1 2.77Å; H64-E66 IonicContact NE2-OE2 3.6Å; H64-Y84 HydrophobicContact CB-CD2 4.46Å; H64-Y84 AromaticContact CD2-CD2 3.64Å; H64-Y84 PolarHBondContact N-O 3.05Å; H64-Y84 PolarHBondContact O-N 3.31Å |
| 65 | L | 97.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.7 | 177.2 | -73.9 | 67.8 | 0 | 0 | 0 | 109.6 | G41 N42 F44 F63 V81 K82 V83 F116 L228 | G41-L65 CarbonylContact C-O 3.47Å; G41-L65 WeakPolarHBondContact CA-O 3.26Å; N42-L65 HydrophobicContact CB-CB 4.49Å; N42-L65 PolarHBondContact N-O 2.85Å; N42-L65 PolarHBondContact O-N 2.77Å; F44-L65 HydrophobicContact CD1-CD1 4.37Å; F44-L65 HydrophobicContact CE1-CD1 3.42Å; F44-L65 VanDerWaalsContact CE1-CD1 3.42Å; F44-L65 HydrophobicContact CE1-CD2 4.46Å; F44-L65 HydrophobicContact CZ-CD1 3.93Å; F63-L65 HydrophobicContact CB-CD1 4.09Å; L65-V81 HydrophobicContact CB-CG1 4.22Å; L65-V81 HydrophobicContact CD2-CG1 4.39Å; L65-V81 HydrophobicContact CG-CG1 4.48Å; L65-K82 VanDerWaalsContact CA-O 3.32Å; L65-K82 WeakPolarHBondContact CA-O 3.15Å; L65-V83 HydrophobicContact CD1-CG1 3.91Å; L65-V83 HydrophobicContact CD2-CG2 4.47Å; L65-V83 HydrophobicContact CG-CB 4.46Å; L65-V83 HydrophobicContact CG-CG1 4.1Å; L65-V83 HydrophobicContact CG-CG2 4.06Å; L65-F116 HydrophobicContact CD2-CE1 4.21Å; L65-F116 HydrophobicContact CD2-CZ 3.66Å; L65-L228 HydrophobicContact CB-CD1 4.19Å; L65-L228 HydrophobicContact CB-CD2 3.57Å; L65-L228 HydrophobicContact CD2-CD1 3.94Å; L65-L228 VanDerWaalsContact O-CD2 3.22Å; L65-L228 WeakPolarHBondContact O-CD2 3.2Å |
| 66 | E | 94.1 | Very high | 86.8 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.9 | 177.3 | 69.9 | -179.9 | -179.4 | 0 | 0 | 112.6 | H64 V81 K82 Y84 | H64-E66 IonicContact NE2-OE2 3.6Å; E66-V81 CarbonylContact O-C 3.44Å; E66-V81 WeakPolarHBondContact O-CA 3.41Å; E66-K82 HydrophobicContact CG-CB 3.98Å; E66-K82 PolarHBondContact N-O 3.41Å; E66-K82 PolarHBondContact O-N 3.27Å; E66-Y84 HydrophobicContact CG-CE2 3.87Å; E66-Y84 VanDerWaalsContact OE1-CE2 3.22Å; E66-Y84 WeakPolarHBondContact OE1-CE2 3.44Å; E66-Y84 PolarHBondContact OE1-OH 3.06Å |
| 67 | W | 89.9 | Confident | 85.9 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 16% | 0.159 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.7 | 169.4 | 176.3 | -112 | 0 | 0 | 0 | 110.7 | L39 F69 R79 L172 L228 P230 | L39-W67 HydrophobicContact CB-CB 4.49Å; L39-W67 HydrophobicContact CD1-CB 3.39Å; L39-W67 HydrophobicContact CD1-CD2 4.43Å; L39-W67 HydrophobicContact CD1-CG 3.52Å; W67-F69 HydrophobicContact CZ2-CB 4.17Å; W67-R79 HydrophobicContact CH2-CB 3.78Å; W67-R79 HydrophobicContact CH2-CG 4.07Å; W67-R79 HydrophobicContact CZ2-CB 4.37Å; W67-R79 HydrophobicContact CZ2-CG 4.26Å; W67-L172 HydrophobicContact CH2-CD2 4.27Å; W67-L172 HydrophobicContact CZ3-CD1 4.41Å; W67-L228 WeakPolarHBondContact CB-O 3.49Å; W67-P230 VanDerWaalsContact CD2-CD 3.49Å; W67-P230 HydrophobicContact CD2-CG 3.96Å; W67-P230 HydrophobicContact CG-CG 4.34Å; W67-P230 HydrophobicContact CH2-CG 4.36Å; W67-P230 HydrophobicContact CZ2-CG 3.8Å |
| 68 | Y | 88.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.9 | 170.9 | -177.2 | -98 | 0 | 0 | 0 | 111.3 | Q70 K78 V80 K82 | Y68-Q70 HydrophobicContact CE1-CB 3.67Å; Y68-Q70 HydrophobicContact CE1-CG 4.48Å; Y68-Q70 VanDerWaalsContact OH-CD 3.31Å; Y68-Q70 PolarHBondContact OH-NE2 2.76Å; Y68-K78 HydrophobicContact CD1-CD 4.24Å; Y68-K78 HydrophobicContact CE1-CD 3.94Å; Y68-V80 HydrophobicContact CD1-CG2 3.88Å; Y68-V80 HydrophobicContact CG-CG2 4.27Å; Y68-V80 PolarHBondContact N-O 2.86Å; Y68-V80 PolarHBondContact O-N 3.35Å; Y68-K82 HydrophobicContact CD1-CD 4.46Å; Y68-K82 HydrophobicContact CD2-CD 4.1Å; Y68-K82 HydrophobicContact CG-CD 3.88Å; Y68-K82 VanDerWaalsContact CG-CE 3.45Å; Y68-K82 HydrophobicContact CG-CG 4.27Å |
| 69 | F | 82.3 | Confident | 84.7 | Confident | 58 Ų | 58 | 76 Ų | 76 | 25% | 0.254 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.9 | 175 | 176.2 | -114.9 | 0 | 0 | 0 | 110.3 | W67 R71 H77 K78 R79 | W67-F69 HydrophobicContact CZ2-CB 4.17Å; F69-R71 HydrophobicContact CE1-CB 4.35Å; F69-R71 HydrophobicContact CZ-CB 4.2Å; F69-H77 HydrophobicContact CE2-CB 3.85Å; F69-K78 WeakPolarHBondContact CA-O 2.94Å; F69-K78 WeakPolarHBondContact CD2-O 3.35Å; F69-R79 HydrophobicContact CD2-CG 3.8Å; F69-R79 HydrophobicContact CE2-CG 4.11Å |
| 70 | Q | 78.7 | Confident | 84.5 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.1 | 175.7 | -163.3 | -175.1 | 34.8 | 0 | 0 | 110.7 | Y68 V72 H77 K78 | Y68-Q70 HydrophobicContact CE1-CB 3.67Å; Y68-Q70 HydrophobicContact CE1-CG 4.48Å; Y68-Q70 VanDerWaalsContact OH-CD 3.31Å; Y68-Q70 PolarHBondContact OH-NE2 2.76Å; Q70-V72 HydrophobicContact CG-CG2 4.14Å; Q70-H77 WeakPolarHBondContact O-CA 3.46Å; Q70-K78 HydrophobicContact CB-CB 3.92Å; Q70-K78 PolarHBondContact N-O 3.44Å; Q70-K78 PolarHBondContact O-N 2.94Å |
| 71 | R | 74.6 | Confident | 84.3 | Confident | 147 Ų | 147 | 67.2 Ų | 67.2 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | trans | -114.4 | 113.1 | 174.1 | -178.1 | 171.1 | -172.4 | -159.9 | -1 | 109.9 | Y29 F69 H77 | Y29-R71 PolarHBondContact OH-NH1 3.06Å; F69-R71 HydrophobicContact CE1-CB 4.35Å; F69-R71 HydrophobicContact CZ-CB 4.2Å; R71-H77 PolarHBondContact NE-NE2 3.13Å | ||
| 72 | V | 74.8 | Confident | 84.2 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 36% | 0.358 | 33% | 0.33 | S | S | . | . | trans | -113.3 | 128.2 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | Q70 G74 K75 | Q70-V72 HydrophobicContact CG-CG2 4.14Å; V72-G74 PolarHBondContact O-N 3.49Å; V72-K75 HydrophobicContact CB-CB 4.19Å; V72-K75 HydrophobicContact CB-CD 4.35Å; V72-K75 HydrophobicContact CB-CG 4.45Å; V72-K75 HydrophobicContact CG1-CB 4.49Å; V72-K75 HydrophobicContact CG1-CD 4.09Å; V72-K75 HydrophobicContact CG1-CG 4.24Å; V72-K75 PolarHBondContact O-N 3.07Å; V72-K75 VanDerWaalsContact O-N 3.09Å | ||
| 73 | R | 68.9 | Low | 84.2 | Confident | 252 Ų | 252 | 66 Ų | 66 | 95% | 0.951 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 127.9 | 179.3 | -174.6 | 179.6 | 179.5 | -177.9 | -0.6 | 109.8 | K75 | R73-K75 VanDerWaalsContact C-N 3.31Š|
| 74 | G | 74.3 | Confident | 84.1 | Confident | 84 Ų | 84 | 69.4 Ų | 69.4 | 87% | 0.866 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -0.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | V72 | V72-G74 PolarHBondContact O-N 3.49Š|
| 75 | K | 68.7 | Low | 84.1 | Confident | 146 Ų | 146 | 67.1 Ų | 67.1 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -116.6 | 155.2 | 171.8 | -62.1 | -170.9 | 177.2 | -173.8 | 0 | 110.2 | V72 R73 | V72-K75 HydrophobicContact CB-CB 4.19Å; V72-K75 HydrophobicContact CB-CD 4.35Å; V72-K75 HydrophobicContact CB-CG 4.45Å; V72-K75 HydrophobicContact CG1-CB 4.49Å; V72-K75 HydrophobicContact CG1-CD 4.09Å; V72-K75 HydrophobicContact CG1-CG 4.24Å; V72-K75 PolarHBondContact O-N 3.07Å; V72-K75 VanDerWaalsContact O-N 3.09Å; R73-K75 VanDerWaalsContact C-N 3.31Å |
| 76 | P | 64.8 | Low | 84 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 149.8 | 166.3 | -19 | 27.8 | 0 | 0 | 0 | 111 | K78 W247 | P76-K78 PolarHBondContact O-N 3.44Å; P76-W247 HydrophobicContact CB-CZ2 4.41Å; P76-W247 HydrophobicContact CG-CH2 3.15Å; P76-W247 HydrophobicContact CG-CZ2 3.3Å; P76-W247 HydrophobicContact CG-CZ3 4.33Å |
| 77 | H | 76.4 | Confident | 84.1 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 32% | 0.324 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 132.8 | 172.6 | -58.4 | 171.3 | 0 | 0 | 0 | 109.8 | F69 Q70 R71 R79 | F69-H77 HydrophobicContact CE2-CB 3.85Å; Q70-H77 WeakPolarHBondContact O-CA 3.46Å; R71-H77 PolarHBondContact NE-NE2 3.13Å; H77-R79 PolarHBondContact ND1-NH2 3.09Å |
| 78 | K | 79 | Confident | 84.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 123.1 | 170.1 | -153.9 | 178.2 | -151.2 | -170.3 | 0 | 108.3 | Y68 F69 Q70 P76 V80 E154 E169 | Y68-K78 HydrophobicContact CD1-CD 4.24Å; Y68-K78 HydrophobicContact CE1-CD 3.94Å; F69-K78 WeakPolarHBondContact CA-O 2.94Å; F69-K78 WeakPolarHBondContact CD2-O 3.35Å; Q70-K78 HydrophobicContact CB-CB 3.92Å; Q70-K78 PolarHBondContact N-O 3.44Å; Q70-K78 PolarHBondContact O-N 2.94Å; P76-K78 PolarHBondContact O-N 3.44Å; K78-V80 HydrophobicContact CG-CG1 3.96Å; K78-E154 IonicContact NZ-OE1 3.99Å; K78-E154 PolarHBondContact NZ-OE1 3.06Å; K78-E154 IonicContact NZ-OE2 2.62Å; K78-E154 PolarHBondContact NZ-OE2 3.1Å; K78-E169 WeakPolarHBondContact CD-OE2 3.37Å; K78-E169 WeakPolarHBondContact CE-OE2 3.47Å; K78-E169 IonicContact NZ-OE1 3.17Å; K78-E169 PolarHBondContact NZ-OE1 3.08Å; K78-E169 IonicContact NZ-OE2 3.83Å; K78-E169 PolarHBondContact NZ-OE2 3.45Å |
| 79 | R | 82.8 | Confident | 84.8 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 36% | 0.362 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 101.5 | 177.1 | -71.8 | -178 | -168.7 | 109.3 | -6.5 | 107.2 | W67 F69 H77 L172 | W67-R79 HydrophobicContact CH2-CB 3.78Å; W67-R79 HydrophobicContact CH2-CG 4.07Å; W67-R79 HydrophobicContact CZ2-CB 4.37Å; W67-R79 HydrophobicContact CZ2-CG 4.26Å; F69-R79 HydrophobicContact CD2-CG 3.8Å; F69-R79 HydrophobicContact CE2-CG 4.11Å; H77-R79 PolarHBondContact ND1-NH2 3.09Å; R79-L172 HydrophobicContact CB-CB 4.05Å; R79-L172 HydrophobicContact CB-CD2 4.33Å; R79-L172 WeakPolarHBondContact O-CB 3.26Å; R79-L172 PolarHBondContact O-N 3.4Å |
| 80 | V | 90.7 | Very high | 85.4 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 156.3 | -173.1 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | Y68 K78 K82 E169 I170 | Y68-V80 HydrophobicContact CD1-CG2 3.88Å; Y68-V80 HydrophobicContact CG-CG2 4.27Å; Y68-V80 PolarHBondContact N-O 2.86Å; Y68-V80 PolarHBondContact O-N 3.35Å; K78-V80 HydrophobicContact CG-CG1 3.96Å; V80-K82 HydrophobicContact CG2-CG 4.01Å; V80-E169 HydrophobicContact CB-CB 4.14Å; V80-E169 HydrophobicContact CG1-CB 4.18Å; V80-E169 HydrophobicContact CG2-CB 4.1Å; V80-E169 HydrophobicContact CG2-CG 4.48Å; V80-E169 WeakPolarHBondContact CG2-OE2 3.37Å; V80-I170 CarbonylContact C-O 3.3Å; V80-I170 WeakPolarHBondContact CA-O 3.35Å; V80-I170 WeakPolarHBondContact CB-O 3.49Å |
| 81 | V | 93.7 | Very high | 86 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.7 | 157.1 | 178 | 0 | 0 | 0 | 0 | 106.6 | L65 E66 I170 F175 I229 | L65-V81 HydrophobicContact CB-CG1 4.22Å; L65-V81 HydrophobicContact CD2-CG1 4.39Å; L65-V81 HydrophobicContact CG-CG1 4.48Å; E66-V81 CarbonylContact O-C 3.44Å; E66-V81 WeakPolarHBondContact O-CA 3.41Å; V81-I170 PolarHBondContact N-O 2.86Å; V81-I170 PolarHBondContact O-N 2.82Å; V81-F175 HydrophobicContact CB-CE2 4.18Å; V81-F175 HydrophobicContact CB-CZ 3.87Å; V81-F175 HydrophobicContact CG2-CE2 3.8Å; V81-F175 HydrophobicContact CG2-CZ 3.59Å; V81-I229 HydrophobicContact CG2-CD1 4.3Å; V81-I229 HydrophobicContact CG2-CG1 3.87Å |
| 82 | K | 95.4 | Very high | 87 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.7 | 171.9 | -73.9 | -168.5 | 167.5 | -164.7 | 0 | 109.2 | L65 E66 Y68 V80 Y84 E169 | L65-K82 VanDerWaalsContact CA-O 3.32Å; L65-K82 WeakPolarHBondContact CA-O 3.15Å; E66-K82 HydrophobicContact CG-CB 3.98Å; E66-K82 PolarHBondContact N-O 3.41Å; E66-K82 PolarHBondContact O-N 3.27Å; Y68-K82 HydrophobicContact CD1-CD 4.46Å; Y68-K82 HydrophobicContact CD2-CD 4.1Å; Y68-K82 HydrophobicContact CG-CD 3.88Å; Y68-K82 VanDerWaalsContact CG-CE 3.45Å; Y68-K82 HydrophobicContact CG-CG 4.27Å; V80-K82 HydrophobicContact CG2-CG 4.01Å; K82-Y84 HydrophobicContact CB-CE2 3.84Å; K82-E169 VanDerWaalsContact CE-CD 3.48Å; K82-E169 WeakPolarHBondContact CE-OE1 3.31Å; K82-E169 HydrophobicContact CG-CG 4.12Å; K82-E169 IonicContact NZ-OE1 3.23Å; K82-E169 PolarHBondContact NZ-OE1 2.84Å |
| 83 | V | 97 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121 | 176.2 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | F63 L65 V85 V114 V167 F168 I170 | F63-V83 HydrophobicContact CD1-CG1 4.1Å; L65-V83 HydrophobicContact CD1-CG1 3.91Å; L65-V83 HydrophobicContact CD2-CG2 4.47Å; L65-V83 HydrophobicContact CG-CB 4.46Å; L65-V83 HydrophobicContact CG-CG1 4.1Å; L65-V83 HydrophobicContact CG-CG2 4.06Å; V83-V85 HydrophobicContact CG1-CG2 4.15Å; V83-V114 HydrophobicContact CG1-CG2 4.41Å; V83-V167 VanDerWaalsContact O-CA 3.31Å; V83-V167 WeakPolarHBondContact O-CA 3.35Å; V83-F168 HydrophobicContact CB-CD1 4Å; V83-F168 HydrophobicContact CB-CD2 4.03Å; V83-F168 HydrophobicContact CB-CE1 3.62Å; V83-F168 HydrophobicContact CB-CE2 3.66Å; V83-F168 HydrophobicContact CB-CG 4.22Å; V83-F168 HydrophobicContact CB-CZ 3.45Å; V83-F168 VanDerWaalsContact CB-CZ 3.45Å; V83-F168 HydrophobicContact CG1-CD1 4.39Å; V83-F168 HydrophobicContact CG1-CE1 3.58Å; V83-F168 HydrophobicContact CG1-CE2 4.16Å; V83-F168 HydrophobicContact CG1-CZ 3.45Å; V83-F168 VanDerWaalsContact CG1-CZ 3.45Å; V83-F168 HydrophobicContact CG2-CD2 4.04Å; V83-F168 HydrophobicContact CG2-CE1 4.39Å; V83-F168 HydrophobicContact CG2-CE2 3.52Å; V83-F168 HydrophobicContact CG2-CZ 3.73Å; V83-F168 PolarHBondContact N-O 3.42Å; V83-F168 PolarHBondContact O-N 3.18Å; V83-I170 HydrophobicContact CG2-CD1 3.62Å; V83-I170 HydrophobicContact CG2-CG1 4.08Å |
| 84 | Y | 97.2 | Very high | 88.8 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.9 | 172.4 | -56 | -101.5 | 0 | 0 | 0 | 108 | F63 H64 E66 K82 C166 V167 | F63-Y84 VanDerWaalsContact CA-O 3.32Å; F63-Y84 WeakPolarHBondContact CA-O 3.24Å; H64-Y84 HydrophobicContact CB-CD2 4.46Å; H64-Y84 AromaticContact CD2-CD2 3.64Å; H64-Y84 PolarHBondContact N-O 3.05Å; H64-Y84 PolarHBondContact O-N 3.31Å; E66-Y84 HydrophobicContact CG-CE2 3.87Å; E66-Y84 VanDerWaalsContact OE1-CE2 3.22Å; E66-Y84 WeakPolarHBondContact OE1-CE2 3.44Å; E66-Y84 PolarHBondContact OE1-OH 3.06Å; K82-Y84 HydrophobicContact CB-CE2 3.84Å; Y84-C166 CarbonylContact C-O 3.52Å; Y84-C166 WeakPolarHBondContact CA-O 3.48Å; Y84-V167 HydrophobicContact CD1-CB 4.37Å; Y84-V167 HydrophobicContact CD1-CG1 4.01Å; Y84-V167 HydrophobicContact CD1-CG2 3.48Å; Y84-V167 VanDerWaalsContact CD1-CG2 3.48Å; Y84-V167 HydrophobicContact CE1-CG1 3.89Å; Y84-V167 HydrophobicContact CE1-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG2 4.35Å |
| 85 | V | 97.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.9 | 178.3 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | F61 S62 F63 V83 V112 R165 C166 F168 | F61-V85 HydrophobicContact CD1-CG1 3.94Å; S62-V85 WeakPolarHBondContact O-CA 3.3Å; F63-V85 HydrophobicContact CD1-CG1 4.42Å; F63-V85 HydrophobicContact CD1-CG2 3.67Å; F63-V85 HydrophobicContact CE1-CB 4.4Å; F63-V85 HydrophobicContact CE1-CG1 4.03Å; F63-V85 HydrophobicContact CE1-CG2 3.53Å; F63-V85 HydrophobicContact CE2-CG1 4.24Å; F63-V85 HydrophobicContact CZ-CG1 3.93Å; F63-V85 HydrophobicContact CZ-CG2 4.28Å; V83-V85 HydrophobicContact CG1-CG2 4.15Å; V85-V112 HydrophobicContact CG1-CG1 4.19Å; V85-V112 HydrophobicContact CG1-CG2 4.22Å; V85-V112 HydrophobicContact CG2-CG2 4.19Å; V85-R165 CarbonylContact O-C 3.53Å; V85-R165 VanDerWaalsContact O-CA 3.27Å; V85-R165 WeakPolarHBondContact O-CA 3.43Å; V85-C166 HydrophobicContact CB-CB 4.19Å; V85-C166 PolarHBondContact N-O 2.99Å; V85-C166 PolarHBondContact O-N 3.1Å; V85-F168 HydrophobicContact CG2-CE1 3.91Å |
| 86 | D | 95.9 | Very high | 90 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.8 | 171.3 | -171.1 | -63.5 | 0 | 0 | 0 | 108.1 | F61 S62 R165 | F61-D86 CarbonylContact C-O 3.59Å; F61-D86 WeakPolarHBondContact CA-O 3.49Å; S62-D86 PolarHBondContact N-O 3.41Å; S62-D86 PolarHBondContact O-N 3.14Å; D86-R165 WeakPolarHBondContact OD2-CD 3.14Å; D86-R165 WeakPolarHBondContact OD2-CG 3.37Å; D86-R165 IonicContact OD2-CZ 2.68Å; D86-R165 IonicContact OD2-NE 3.42Å; D86-R165 PolarHBondContact OD2-NE 2.85Å |
| 87 | G | 96.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | -177 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T163 W164 | G87-T163 WeakPolarHBondContact O-CA 3.3Å; G87-W164 PolarHBondContact N-O 2.8Å; G87-W164 PolarHBondContact O-N 2.87Å |
| 88 | P | 96.7 | Very high | 90.6 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 13% | 0.13 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144 | 176.6 | 26.6 | -33.7 | 0 | 0 | 0 | 111.8 | H58 E59 F61 F90 N162 | H58-P88 HydrophobicContact CB-CG 4.41Å; E59-P88 WeakPolarHBondContact O-CD 3.46Å; F61-P88 HydrophobicContact CE2-CG 3.88Å; F61-P88 HydrophobicContact CZ-CG 3.94Å; F61-P88 VanDerWaalsContact CZ-O 3.31Å; F61-P88 WeakPolarHBondContact CZ-O 3.47Å; P88-F90 HydrophobicContact CB-CE1 4.32Å; P88-F90 HydrophobicContact CB-CE2 3.97Å; P88-F90 HydrophobicContact CB-CZ 3.82Å; P88-F90 HydrophobicContact CG-CD2 4.48Å; P88-F90 HydrophobicContact CG-CE1 4.34Å; P88-F90 HydrophobicContact CG-CE2 3.5Å; P88-F90 HydrophobicContact CG-CZ 3.4Å; P88-F90 VanDerWaalsContact CG-CZ 3.4Å; P88-N162 WeakPolarHBondContact CA-O 3.42Å |
| 89 | L | 95 | Very high | 90.6 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | trans | -92.3 | 123.9 | 162.5 | 179.8 | 63.8 | 0 | 0 | 0 | 108.7 | P130 F159 N162 W164 | L89-P130 HydrophobicContact CD1-CB 3.64Å; L89-P130 HydrophobicContact CD1-CG 3.88Å; L89-F159 HydrophobicContact CD1-CD1 4.46Å; L89-F159 HydrophobicContact CD1-CE1 3.98Å; L89-F159 HydrophobicContact CD2-CD1 3.83Å; L89-F159 HydrophobicContact CD2-CE1 4.09Å; L89-N162 PolarHBondContact N-O 3.07Å; L89-W164 HydrophobicContact CB-CB 4Å; L89-W164 HydrophobicContact CD1-CB 4.29Å | ||
| 90 | F | 95.7 | Very high | 90.4 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | trans | -98.8 | -31.8 | 177.9 | -63 | -80.4 | 0 | 0 | 0 | 113.4 | H58 F61 P88 D92 E110 H188 | H58-F90 HydrophobicContact CB-CE1 4.42Å; H58-F90 HydrophobicContact CB-CZ 4.35Å; H58-F90 AromaticContact CD2-CE1 3.75Å; H58-F90 AromaticContact CD2-CZ 3.51Å; H58-F90 AromaticContact CE1-CZ 3.74Å; H58-F90 AromaticContact CG-CZ 3.64Å; H58-F90 AromaticContact ND1-CZ 3.79Å; H58-F90 AromaticContact NE2-CZ 3.59Å; F61-F90 AromaticContact CE2-CE2 3.88Å; F61-F90 HydrophobicContact CE2-CE2 3.88Å; F61-F90 AromaticContact CZ-CE2 3.92Å; F61-F90 HydrophobicContact CZ-CE2 3.92Å; P88-F90 HydrophobicContact CB-CE1 4.32Å; P88-F90 HydrophobicContact CB-CE2 3.97Å; P88-F90 HydrophobicContact CB-CZ 3.82Å; P88-F90 HydrophobicContact CG-CD2 4.48Å; P88-F90 HydrophobicContact CG-CE1 4.34Å; P88-F90 HydrophobicContact CG-CE2 3.5Å; P88-F90 HydrophobicContact CG-CZ 3.4Å; P88-F90 VanDerWaalsContact CG-CZ 3.4Å; F90-D92 HydrophobicContact CB-CB 4.5Å; F90-D92 PolarHBondContact O-N 3.35Å; F90-E110 WeakPolarHBondContact CD2-OE1 3.25Å; F90-E110 PolarHBondContact N-OE1 2.99Å; F90-E110 PolarHBondContact N-OE2 3.09Å; F90-H188 HydrophobicContact CB-CB 4.13Å; F90-H188 AromaticContact CD1-ND1 3.9Å; F90-H188 HydrophobicContact CD2-CB 3.43Å; F90-H188 VanDerWaalsContact CD2-CB 3.43Å; F90-H188 AromaticContact CD2-CD2 3.78Å; F90-H188 AromaticContact CD2-CG 3.44Å; F90-H188 VanDerWaalsContact CD2-CG 3.44Å; F90-H188 AromaticContact CD2-ND1 3.93Å; F90-H188 AromaticContact CE1-CE1 3.74Å; F90-H188 AromaticContact CE1-ND1 3.86Å; F90-H188 HydrophobicContact CE2-CB 3.94Å; F90-H188 AromaticContact CE2-CD2 3.3Å; F90-H188 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H188 AromaticContact CE2-CE1 3.9Å; F90-H188 AromaticContact CE2-CG 3.45Å; F90-H188 VanDerWaalsContact CE2-CG 3.45Å; F90-H188 AromaticContact CE2-ND1 3.87Å; F90-H188 AromaticContact CE2-NE2 3.61Å; F90-H188 HydrophobicContact CG-CB 3.83Å; F90-H188 AromaticContact CG-CG 3.87Å; F90-H188 AromaticContact CG-ND1 3.93Å; F90-H188 AromaticContact CZ-CD2 3.72Å; F90-H188 AromaticContact CZ-CE1 3.54Å; F90-H188 AromaticContact CZ-CG 3.89Å; F90-H188 AromaticContact CZ-ND1 3.84Å; F90-H188 AromaticContact CZ-NE2 3.49Å; F90-H188 WeakPolarHBondContact CZ-NE2 3.35Å | ||
| 91 | D | 91.9 | Very high | 90.1 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | trans | 47.4 | 34.5 | -167.6 | -72.6 | -38 | 0 | 0 | 0 | 112.1 | P93 E110 H131 | D91-P93 CarbonylContact C-O 3.52Å; D91-P93 CarbonylContact O-C 3.58Å; D91-E110 WeakPolarHBondContact CA-OE2 3.48Å; D91-E110 PolarHBondContact N-OE2 3.39Å; D91-H131 IonicContact OD1-CE1 3.71Å; D91-H131 PolarHBondContact OD1-CE1 3.14Å; D91-H131 VanDerWaalsContact OD1-CE1 3.23Å; D91-H131 IonicContact OD1-NE2 3.73Å | ||
| 92 | D | 94.5 | Very high | 89.8 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | trans | -133 | 116.2 | 178.1 | -170.1 | 17.7 | 0 | 0 | 0 | 110.5 | F90 G189 S190 | F90-D92 HydrophobicContact CB-CB 4.5Å; F90-D92 PolarHBondContact O-N 3.35Å; D92-G189 WeakPolarHBondContact O-CA 3.3Å; D92-G189 PolarHBondContact O-N 2.86Å; D92-G189 WeakPolarHBondContact OD2-CA 3.37Å; D92-S190 VanDerWaalsContact CG-N 3.29Å; D92-S190 VanDerWaalsContact OD1-CB 3.23Å; D92-S190 WeakPolarHBondContact OD1-CB 3.26Å; D92-S190 PolarHBondContact OD1-N 2.81Å; D92-S190 VanDerWaalsContact OD1-N 3.15Å; D92-S190 PolarHBondContact OD1-OG 2.82Å; D92-S190 PolarHBondContact OD2-N 3.08Å; D92-S190 VanDerWaalsContact OD2-N 3.07Å | ||
| 93 | P | 93.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 10% | 0.097 | 31% | 0.31 | C | S | . | . | S | Bend | cis | -64.7 | 164.4 | -2.5 | 31.7 | -40.2 | 0 | 0 | 0 | 113.7 | D91 D108 Q109 S190 | D91-P93 CarbonylContact C-O 3.52Å; D91-P93 CarbonylContact O-C 3.58Å; P93-D108 VanDerWaalsContact CG-O 3.29Å; P93-D108 WeakPolarHBondContact CG-O 3.23Å; P93-Q109 HydrophobicContact CG-CB 4.47Å; P93-S190 WeakPolarHBondContact CA-OG 3.5Å; P93-S190 WeakPolarHBondContact CB-OG 3.49Å |
| 94 | P | 88.4 | Confident | 89.2 | Confident | 96 Ų | 96 | 65 Ų | 65 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | trans | -57.4 | 158 | 177.1 | -23.4 | 33.3 | 0 | 0 | 0 | 113.4 | Q109 | P94-Q109 PolarHBondContact O-OE1 2.98Š| ||
| 95 | E | 85.9 | Confident | 89 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | trans | -42 | 129.3 | 177.5 | -177.9 | 161.6 | 161.6 | 0 | 0 | 112.9 | H131 R294 | E95-H131 HydrophobicContact CG-CB 3.91Å; E95-H131 WeakPolarHBondContact CG-ND1 3.31Å; E95-H131 IonicContact OE2-CE1 3.66Å; E95-H131 IonicContact OE2-CG 3.64Å; E95-H131 IonicContact OE2-ND1 2.74Å; E95-H131 PolarHBondContact OE2-ND1 2.87Å; E95-R294 IonicContact OE2-NH2 2.88Å; E95-R294 PolarHBondContact OE2-NH2 2.88Å; E95-R294 VanDerWaalsContact OE2-NH2 3.12Å | ||
| 96 | P | 83.2 | Confident | 88.8 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | trans | -57.6 | 147.2 | 174 | -24.2 | 33.5 | 0 | 0 | 0 | 112.1 | D98 Q109 | P96-D98 PolarHBondContact O-N 3.4Å; P96-Q109 HydrophobicContact CG-CG 3.88Å | ||
| 97 | Y | 76.8 | Confident | 88.8 | Confident | 238 Ų | 238 | 63.4 Ų | 63.4 | 93% | 0.933 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -67.4 | -24.3 | 178.4 | -68.2 | -78.2 | 0 | 0 | 0 | 113.8 | ||
| 98 | D | 76.5 | Confident | 88.6 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 66% | 0.658 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78.3 | 145.9 | 179.9 | -66.6 | -45.8 | 0 | 0 | 0 | 111 | P96 H133 | P96-D98 PolarHBondContact O-N 3.4Å; D98-H133 PolarHBondContact O-CE1 3.21Å; D98-H133 PolarHBondContact O-NE2 3.02Å |
| 99 | F | 78 | Confident | 88.5 | Confident | 203 Ų | 203 | 69.2 Ų | 69.2 | 89% | 0.89 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 153.8 | 169.8 | -67.9 | -75.3 | 0 | 0 | 0 | 110.9 | G101 H133 | F99-G101 PolarHBondContact O-N 3.41Å; F99-H133 PolarHBondContact O-NE2 3.14Å |
| 100 | G | 78.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 68 Ų | 68 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -49.1 | 140.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q290 | G100-Q290 VanDerWaalsContact C-OE1 3.25Å; G100-Q290 VanDerWaalsContact CA-NE2 3.27Å; G100-Q290 PolarHBondContact O-OE1 3.32Å |
| 101 | G | 85 | Confident | 88.7 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 158.4 | -165 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F99 C103 H133 W134 | F99-G101 PolarHBondContact O-N 3.41Å; G101-C103 PolarHBondContact O-N 3.37Å; G101-H133 CarbonylContact O-C 3.52Å; G101-H133 WeakPolarHBondContact O-CA 3.5Å; G101-W134 VanDerWaalsContact CA-CH2 3.42Å; G101-W134 VanDerWaalsContact CA-CZ3 3.43Å; G101-W134 PolarHBondContact O-N 3.42Å |
| 102 | H | 87.3 | Confident | 89 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -58.5 | 127.3 | 167.8 | 175.6 | -95.5 | 0 | 0 | 0 | 111.5 | W134 E149 | H102-W134 CarbonylContact C-O 3.55Å; H102-W134 WeakPolarHBondContact CA-O 3.41Å; H102-E149 PolarHBondContact NE2-O 3.42Å |
| 103 | C | 89.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -134.1 | 101.3 | -178 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | G101 T105 I106 H133 W134 | G101-C103 PolarHBondContact O-N 3.37Å; C103-T105 PolarHBondContact O-N 3.44Å; C103-T105 VanDerWaalsContact O-N 3.17Å; C103-I106 HydrophobicContact CB-CB 4.21Å; C103-I106 WeakPolarHBondContact O-CB 3.43Å; C103-I106 PolarHBondContact O-N 3.22Å; C103-H133 HydrophobicContact CB-CB 3.67Å; C103-W134 PolarHBondContact N-O 3.46Å | ||
| 104 | P | 90.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.7 | -179.5 | -23.1 | 31.3 | 0 | 0 | 0 | 114.7 | R137 | P104-R137 PolarHBondContact O-NH2 2.86Å; P104-R137 VanDerWaalsContact O-NH2 3.12Å |
| 105 | T | 91.9 | Very high | 89.8 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 19.9 | -176.3 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | C103 Y107 D108 | C103-T105 PolarHBondContact O-N 3.44Å; C103-T105 VanDerWaalsContact O-N 3.17Å; T105-Y107 PolarHBondContact O-N 3.36Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; T105-D108 WeakPolarHBondContact O-CB 3.03Å; T105-D108 PolarHBondContact O-N 2.8Å |
| 106 | I | 93.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.2 | -29.6 | -176.1 | -165 | 167 | 0 | 0 | 0 | 113.6 | C103 D108 Q109 C111 A127 H133 L135 | C103-I106 HydrophobicContact CB-CB 4.21Å; C103-I106 WeakPolarHBondContact O-CB 3.43Å; C103-I106 PolarHBondContact O-N 3.22Å; I106-D108 PolarHBondContact O-N 2.75Å; I106-Q109 WeakPolarHBondContact O-CA 3.41Å; I106-Q109 WeakPolarHBondContact O-CB 3.44Å; I106-Q109 PolarHBondContact O-N 3.23Å; I106-C111 HydrophobicContact CD1-CB 4.31Å; I106-C111 HydrophobicContact CG1-CB 3.83Å; I106-C111 PolarHBondContact O-SG 3.16Å; I106-A127 HydrophobicContact CD1-CB 4.18Å; I106-A127 HydrophobicContact CG2-CB 3.66Å; I106-H133 HydrophobicContact CD1-CB 4.2Å; I106-H133 VanDerWaalsContact CD1-O 3.3Å; I106-H133 WeakPolarHBondContact CD1-O 3.39Å; I106-L135 HydrophobicContact CB-CB 4.44Å; I106-L135 HydrophobicContact CG2-CB 3.54Å; I106-L135 HydrophobicContact CG2-CD2 3.73Å; I106-L135 HydrophobicContact CG2-CG 4.32Å |
| 107 | Y | 95 | Very high | 90.9 | Very high | 39 Ų | 39 | 48 Ų | 48 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -71.3 | -7.4 | 176.4 | -67.2 | -81.5 | 0 | 0 | 0 | 114 | T105 D125 A127 L135 L187 R194 L214 | T105-Y107 PolarHBondContact O-N 3.36Å; T105-Y107 VanDerWaalsContact O-N 3.14Å; Y107-D125 PolarHBondContact OH-OD1 3.44Å; Y107-D125 PolarHBondContact OH-OD2 2.91Å; Y107-A127 HydrophobicContact CE1-CB 4.18Å; Y107-A127 HydrophobicContact CE2-CB 4.25Å; Y107-L135 HydrophobicContact CD2-CD2 4.12Å; Y107-L135 HydrophobicContact CE2-CD2 3.71Å; Y107-L187 HydrophobicContact CD1-CD1 4.24Å; Y107-L187 HydrophobicContact CD1-CD2 4.01Å; Y107-R194 PolarHBondContact O-NH2 3.25Å; Y107-L214 HydrophobicContact CD1-CD1 3.95Å; Y107-L214 HydrophobicContact CE1-CD1 3.88Å |
| 108 | D | 93.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 36.8 Ų | 36.8 | 57% | 0.572 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -88.8 | -15.6 | 167.8 | -59.1 | -41.5 | 0 | 0 | 0 | 111.4 | P93 T105 I106 R194 | P93-D108 VanDerWaalsContact CG-O 3.29Å; P93-D108 WeakPolarHBondContact CG-O 3.23Å; T105-D108 WeakPolarHBondContact O-CB 3.03Å; T105-D108 PolarHBondContact O-N 2.8Å; I106-D108 PolarHBondContact O-N 2.75Å; D108-R194 PolarHBondContact O-NH1 2.8Å |
| 109 | Q | 94.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -98.9 | 171 | -177.6 | -56 | -60.6 | -43.7 | 0 | 0 | 112 | P93 P94 P96 I106 C111 R194 | P93-Q109 HydrophobicContact CG-CB 4.47Å; P94-Q109 PolarHBondContact O-OE1 2.98Å; P96-Q109 HydrophobicContact CG-CG 3.88Å; I106-Q109 WeakPolarHBondContact O-CA 3.41Å; I106-Q109 WeakPolarHBondContact O-CB 3.44Å; I106-Q109 PolarHBondContact O-N 3.23Å; Q109-C111 PolarHBondContact O-N 3.23Å; Q109-R194 PolarHBondContact O-NH1 2.89Å; Q109-R194 PolarHBondContact O-NH2 3.28Å |
| 110 | E | 96.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -62.5 | 120.9 | 166 | -176.9 | 179 | -179.4 | 0 | 0 | 109.3 | F90 D91 G129 P130 L187 H188 | F90-E110 WeakPolarHBondContact CD2-OE1 3.25Å; F90-E110 PolarHBondContact N-OE1 2.99Å; F90-E110 PolarHBondContact N-OE2 3.09Å; D91-E110 WeakPolarHBondContact CA-OE2 3.48Å; D91-E110 PolarHBondContact N-OE2 3.39Å; E110-G129 WeakPolarHBondContact O-CA 3.08Å; E110-P130 HydrophobicContact CB-CG 4.28Å; E110-P130 HydrophobicContact CG-CG 4.17Å; E110-P130 WeakPolarHBondContact O-CD 3.16Å; E110-L187 CarbonylContact C-O 3.51Å; E110-L187 VanDerWaalsContact CA-O 3.32Å; E110-L187 WeakPolarHBondContact CA-O 3.47Å; E110-H188 HydrophobicContact CG-CB 4.21Å |
| 111 | C | 97.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 160.7 | 178.2 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | I106 Q109 V128 L187 | I106-C111 HydrophobicContact CD1-CB 4.31Å; I106-C111 HydrophobicContact CG1-CB 3.83Å; I106-C111 PolarHBondContact O-SG 3.16Å; Q109-C111 PolarHBondContact O-N 3.23Å; C111-V128 CarbonylContact C-O 3.55Å; C111-V128 VanDerWaalsContact CA-O 3.23Å; C111-V128 WeakPolarHBondContact CA-O 3.46Å; C111-V128 VanDerWaalsContact CB-O 3.24Å; C111-V128 WeakPolarHBondContact CB-O 3.35Å; C111-L187 PolarHBondContact N-O 3.48Å; C111-L187 PolarHBondContact O-N 3.08Å |
| 112 | V | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.8 | 163.7 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | F61 F63 V85 A127 V128 W164 F185 A186 | F61-V112 HydrophobicContact CD1-CG1 3.8Å; F61-V112 HydrophobicContact CE1-CG1 3.88Å; F61-V112 HydrophobicContact CG-CG1 4.33Å; F61-V112 HydrophobicContact CZ-CG1 4.44Å; F63-V112 HydrophobicContact CE1-CB 4.36Å; F63-V112 HydrophobicContact CE1-CG2 4.49Å; F63-V112 HydrophobicContact CZ-CB 3.93Å; F63-V112 HydrophobicContact CZ-CG1 4.14Å; F63-V112 HydrophobicContact CZ-CG2 4.48Å; V85-V112 HydrophobicContact CG1-CG1 4.19Å; V85-V112 HydrophobicContact CG1-CG2 4.22Å; V85-V112 HydrophobicContact CG2-CG2 4.19Å; V112-A127 CarbonylContact O-C 3.54Å; V112-A127 VanDerWaalsContact O-CA 3.25Å; V112-A127 WeakPolarHBondContact O-CA 2.8Å; V112-V128 HydrophobicContact CG2-CG2 3.49Å; V112-V128 VanDerWaalsContact CG2-CG2 3.49Å; V112-V128 PolarHBondContact N-O 2.74Å; V112-V128 PolarHBondContact O-N 3.5Å; V112-W164 HydrophobicContact CB-CH2 4.46Å; V112-W164 HydrophobicContact CG1-CH2 4.14Å; V112-W164 HydrophobicContact CG1-CZ3 3.92Å; V112-W164 HydrophobicContact CG2-CH2 3.86Å; V112-W164 HydrophobicContact CG2-CZ2 4.48Å; V112-W164 HydrophobicContact CG2-CZ3 4.48Å; V112-F185 CarbonylContact C-O 3.59Å; V112-F185 VanDerWaalsContact CA-O 3.28Å; V112-F185 WeakPolarHBondContact CA-O 3.23Å; V112-A186 HydrophobicContact CG1-CB 4.2Å |
| 113 | S | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.1 | 179.7 | 167.5 | 0 | 0 | 0 | 0 | 111.7 | D125 I126 A184 F185 | S113-D125 PolarHBondContact OG-OD1 3.1Å; S113-D125 VanDerWaalsContact OG-OD1 3.07Å; S113-I126 CarbonylContact C-O 3.51Å; S113-I126 WeakPolarHBondContact CA-O 3.42Å; S113-I126 VanDerWaalsContact CB-O 3.29Å; S113-I126 WeakPolarHBondContact CB-O 3.35Å; S113-I126 PolarHBondContact OG-O 3.02Å; S113-A184 CarbonylContact O-C 3.52Å; S113-A184 WeakPolarHBondContact O-CA 3.32Å; S113-A184 WeakPolarHBondContact O-CB 3.24Å; S113-F185 PolarHBondContact N-O 3.19Å; S113-F185 PolarHBondContact O-N 2.73Å |
| 114 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.8 | 171 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | F63 V83 F116 I126 F168 N183 A184 | F63-V114 HydrophobicContact CD1-CG2 4.08Å; F63-V114 HydrophobicContact CE1-CG2 3.81Å; V83-V114 HydrophobicContact CG1-CG2 4.41Å; V114-F116 HydrophobicContact CB-CE2 4.37Å; V114-F116 HydrophobicContact CG1-CD2 4.24Å; V114-F116 HydrophobicContact CG1-CE1 4.45Å; V114-F116 HydrophobicContact CG1-CE2 3.49Å; V114-F116 VanDerWaalsContact CG1-CE2 3.49Å; V114-F116 HydrophobicContact CG1-CZ 3.62Å; V114-I126 PolarHBondContact N-O 3.18Å; V114-I126 VanDerWaalsContact O-CD1 3.31Å; V114-I126 WeakPolarHBondContact O-CD1 3.13Å; V114-I126 PolarHBondContact O-N 3.17Å; V114-F168 HydrophobicContact CG2-CZ 4.14Å; V114-N183 WeakPolarHBondContact CA-O 3.22Å; V114-A184 HydrophobicContact CG2-CB 4.25Å |
| 115 | V | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.9 | -177.2 | -165.2 | 0 | 0 | 0 | 0 | 110.2 | Y123 L124 D125 Y182 N183 F185 Y220 | V115-Y123 HydrophobicContact CG1-CD2 3.88Å; V115-L124 CarbonylContact C-O 3.57Å; V115-L124 VanDerWaalsContact CA-O 3.24Å; V115-L124 WeakPolarHBondContact CA-O 3.35Å; V115-L124 VanDerWaalsContact CG1-O 3.31Å; V115-L124 WeakPolarHBondContact CG1-O 2.98Å; V115-D125 HydrophobicContact CG1-CB 4.32Å; V115-D125 HydrophobicContact CG2-CB 4.43Å; V115-D125 WeakPolarHBondContact CG2-OD1 3.22Å; V115-Y182 CarbonylContact O-C 3.56Å; V115-Y182 WeakPolarHBondContact O-CA 3.37Å; V115-Y182 VanDerWaalsContact O-CB 3.26Å; V115-Y182 WeakPolarHBondContact O-CB 3.38Å; V115-N183 PolarHBondContact N-O 3.14Å; V115-N183 PolarHBondContact O-N 3.33Å; V115-F185 HydrophobicContact CG2-CD2 4.38Å; V115-F185 HydrophobicContact CG2-CE2 3.99Å; V115-Y220 HydrophobicContact CB-CE2 3.66Å; V115-Y220 HydrophobicContact CG1-CE2 3.61Å |
| 116 | F | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.4 | 176.2 | -62.3 | -85.7 | 0 | 0 | 0 | 110.4 | L65 V114 Y123 L124 I126 I170 F175 V179 I223 L228 | L65-F116 HydrophobicContact CD2-CE1 4.21Å; L65-F116 HydrophobicContact CD2-CZ 3.66Å; V114-F116 HydrophobicContact CB-CE2 4.37Å; V114-F116 HydrophobicContact CG1-CD2 4.24Å; V114-F116 HydrophobicContact CG1-CE1 4.45Å; V114-F116 HydrophobicContact CG1-CE2 3.49Å; V114-F116 VanDerWaalsContact CG1-CE2 3.49Å; V114-F116 HydrophobicContact CG1-CZ 3.62Å; F116-Y123 CarbonylContact O-C 3.47Å; F116-Y123 WeakPolarHBondContact O-CA 3.36Å; F116-Y123 VanDerWaalsContact O-CB 3.28Å; F116-Y123 WeakPolarHBondContact O-CB 3.46Å; F116-L124 PolarHBondContact N-O 2.93Å; F116-L124 PolarHBondContact O-N 3.16Å; F116-I126 HydrophobicContact CD2-CD1 4.14Å; F116-I126 HydrophobicContact CE2-CD1 4.26Å; F116-I170 HydrophobicContact CE2-CD1 3.75Å; F116-I170 HydrophobicContact CZ-CD1 4.45Å; F116-F175 HydrophobicContact CB-CD1 4.21Å; F116-F175 HydrophobicContact CB-CE1 4.28Å; F116-F175 HydrophobicContact CD1-CD1 4.46Å; F116-F175 AromaticContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD2-CD1 4.23Å; F116-F175 AromaticContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CZ 4.3Å; F116-F175 HydrophobicContact CE1-CE1 4.02Å; F116-F175 AromaticContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CZ 4.1Å; F116-F175 HydrophobicContact CG-CD1 4.05Å; F116-F175 AromaticContact CG-CE1 3.62Å; F116-F175 HydrophobicContact CG-CE1 3.62Å; F116-F175 AromaticContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CZ 4.35Å; F116-V179 HydrophobicContact CB-CG1 3.93Å; F116-V179 HydrophobicContact CD1-CG1 4.15Å; F116-I223 HydrophobicContact CD1-CD1 4.21Å; F116-I223 HydrophobicContact CE1-CD1 3.9Å; F116-L228 HydrophobicContact CE1-CD1 4.43Å |
| 117 | A | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q122 T180 R181 I217 Y220 | A117-Q122 WeakPolarHBondContact CA-O 3.46Å; A117-T180 PolarHBondContact O-N 2.84Å; A117-R181 HydrophobicContact CB-CG 3.69Å; A117-R181 PolarHBondContact N-O 2.7Å; A117-R181 PolarHBondContact O-N 3.43Å; A117-R181 VanDerWaalsContact O-N 3.09Å; A117-I217 HydrophobicContact CB-CB 4.34Å; A117-I217 HydrophobicContact CB-CG2 4.2Å; A117-Y220 HydrophobicContact CB-CD2 4.44Å |
| 118 | N | 93.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 179.9 | 173.7 | 73.6 | 14.1 | 0 | 0 | 0 | 112.3 | K120 S121 Q122 A177 A178 | N118-K120 PolarHBondContact O-N 3.23Å; N118-K120 WeakPolarHBondContact OD1-CA 3.39Å; N118-K120 WeakPolarHBondContact OD1-CB 3.5Å; N118-K120 PolarHBondContact OD1-N 3.45Å; N118-S121 PolarHBondContact OD1-N 3.17Å; N118-Q122 PolarHBondContact N-O 2.68Å; N118-Q122 PolarHBondContact ND2-OE1 2.97Å; N118-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N118-Q122 PolarHBondContact OD1-N 2.62Å; N118-Q122 VanDerWaalsContact OD1-N 3.09Å; N118-Q122 PolarHBondContact OD1-O 3.49Å; N118-A177 WeakPolarHBondContact CB-O 3.34Å; N118-A177 PolarHBondContact ND2-O 3.26Å; N118-A178 WeakPolarHBondContact CB-O 2.91Å |
| 119 | N | 92 | Very high | 95.2 | Very high | 111 Ų | 111 | 18.2 Ų | 18.2 | 59% | 0.594 | 9% | 0.091 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.8 | 179.2 | -63.7 | -11.9 | 0 | 0 | 0 | 114 | T180 R181 | N119-T180 PolarHBondContact OD1-OG1 2.97Å; N119-R181 PolarHBondContact OD1-NH2 3.32Å |
| 120 | K | 90.1 | Very high | 95.1 | Very high | 149 Ų | 149 | 16.4 Ų | 16.4 | 65% | 0.648 | 8% | 0.083 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 14.6 | 179.8 | -60.5 | 179.7 | -179.9 | 174.1 | 0 | 112.6 | N118 Q122 | N118-K120 PolarHBondContact O-N 3.23Å; N118-K120 WeakPolarHBondContact OD1-CA 3.39Å; N118-K120 WeakPolarHBondContact OD1-CB 3.5Å; N118-K120 PolarHBondContact OD1-N 3.45Å; K120-Q122 HydrophobicContact CB-CG 4.35Å; K120-Q122 PolarHBondContact O-N 3.04Å |
| 121 | S | 89.3 | Confident | 94.7 | Very high | 34 Ų | 34 | 17.1 Ų | 17.1 | 24% | 0.238 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 57.4 | 36.8 | -174.3 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | N118 G141 | N118-S121 PolarHBondContact OD1-N 3.17Å; S121-G141 PolarHBondContact O-N 3.33Å |
| 122 | Q | 91.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 17.1 Ų | 17.1 | 16% | 0.159 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.4 | 171.4 | -66.2 | 176.7 | -40.6 | 0 | 0 | 108.1 | A117 N118 K120 F139 P176 W239 | A117-Q122 WeakPolarHBondContact CA-O 3.46Å; N118-Q122 PolarHBondContact N-O 2.68Å; N118-Q122 PolarHBondContact ND2-OE1 2.97Å; N118-Q122 WeakPolarHBondContact OD1-CB 3.4Å; N118-Q122 PolarHBondContact OD1-N 2.62Å; N118-Q122 VanDerWaalsContact OD1-N 3.09Å; N118-Q122 PolarHBondContact OD1-O 3.49Å; K120-Q122 HydrophobicContact CB-CG 4.35Å; K120-Q122 PolarHBondContact O-N 3.04Å; Q122-F139 VanDerWaalsContact CA-O 3.27Å; Q122-F139 WeakPolarHBondContact CA-O 3.3Å; Q122-P176 HydrophobicContact CB-CB 3.87Å; Q122-W239 HydrophobicContact CB-CH2 3.55Å; Q122-W239 HydrophobicContact CB-CZ3 3.82Å; Q122-W239 HydrophobicContact CG-CH2 4.02Å; Q122-W239 HydrophobicContact CG-CZ3 3.74Å |
| 123 | Y | 93.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 151.2 | 178.4 | 61.5 | -81.5 | 0 | 0 | 0 | 112.7 | V115 F116 F139 R144 H215 I217 | V115-Y123 HydrophobicContact CG1-CD2 3.88Å; F116-Y123 CarbonylContact O-C 3.47Å; F116-Y123 WeakPolarHBondContact O-CA 3.36Å; F116-Y123 VanDerWaalsContact O-CB 3.28Å; F116-Y123 WeakPolarHBondContact O-CB 3.46Å; Y123-F139 HydrophobicContact CD1-CB 3.58Å; Y123-F139 HydrophobicContact CD1-CG 4.34Å; Y123-F139 HydrophobicContact CD2-CB 3.96Å; Y123-F139 AromaticContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CD2 3.49Å; Y123-F139 VanDerWaalsContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CE2 4.19Å; Y123-F139 AromaticContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CE1-CB 3.24Å; Y123-F139 HydrophobicContact CE1-CD1 4.34Å; Y123-F139 HydrophobicContact CE1-CD2 4.31Å; Y123-F139 AromaticContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE2-CB 3.69Å; Y123-F139 HydrophobicContact CE2-CD1 4.04Å; Y123-F139 AromaticContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CE1 4.41Å; Y123-F139 AromaticContact CE2-CE2 3.54Å; Y123-F139 HydrophobicContact CE2-CE2 3.54Å; Y123-F139 AromaticContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CZ 4.19Å; Y123-F139 HydrophobicContact CG-CB 3.91Å; Y123-F139 HydrophobicContact CG-CD2 4.27Å; Y123-F139 HydrophobicContact CG-CG 4.41Å; Y123-F139 AromaticContact CZ-CD1 3.64Å; Y123-F139 AromaticContact CZ-CD2 3.53Å; Y123-F139 AromaticContact CZ-CG 3.21Å; Y123-F139 PolarHBondContact N-O 2.85Å; Y123-F139 PolarHBondContact O-N 2.99Å; Y123-F139 WeakPolarHBondContact OH-CD1 3.49Å; Y123-F139 WeakPolarHBondContact OH-CG 3.47Å; Y123-R144 HydrophobicContact CE1-CG 4.2Å; Y123-R144 VanDerWaalsContact OH-CB 3.23Å; Y123-R144 WeakPolarHBondContact OH-CB 3.32Å; Y123-R144 WeakPolarHBondContact OH-CD 3.48Å; Y123-R144 VanDerWaalsContact OH-CG 3.26Å; Y123-R144 WeakPolarHBondContact OH-CG 3.37Å; Y123-H215 HydrophobicContact CE2-CB 4.35Å; Y123-H215 AromaticContact CE2-CD2 3.93Å; Y123-H215 AromaticContact CE2-CG 3.94Å; Y123-I217 HydrophobicContact CD1-CG2 4.33Å; Y123-I217 HydrophobicContact CG-CG2 4.35Å |
| 124 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.4 | 175.5 | 173.8 | 69.3 | 0 | 0 | 0 | 107.3 | V115 F116 I126 V136 R137 M138 I170 F175 | V115-L124 CarbonylContact C-O 3.57Å; V115-L124 VanDerWaalsContact CA-O 3.24Å; V115-L124 WeakPolarHBondContact CA-O 3.35Å; V115-L124 VanDerWaalsContact CG1-O 3.31Å; V115-L124 WeakPolarHBondContact CG1-O 2.98Å; F116-L124 PolarHBondContact N-O 2.93Å; F116-L124 PolarHBondContact O-N 3.16Å; L124-I126 HydrophobicContact CD1-CD1 4.41Å; L124-I126 HydrophobicContact CD1-CG1 4.47Å; L124-I126 HydrophobicContact CD2-CD1 3.64Å; L124-I126 HydrophobicContact CD2-CG1 4.33Å; L124-I126 HydrophobicContact CG-CD1 3.55Å; L124-I126 HydrophobicContact CG-CG1 4.12Å; L124-V136 HydrophobicContact CD1-CG1 3.83Å; L124-R137 WeakPolarHBondContact CA-O 3.48Å; L124-M138 HydrophobicContact CD1-CE 4.46Å; L124-M138 HydrophobicContact CD1-CG 3.97Å; L124-I170 HydrophobicContact CD2-CG2 3.85Å; L124-F175 HydrophobicContact CD2-CD1 4.45Å; L124-F175 HydrophobicContact CD2-CG 4.44Å |
| 125 | D | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.011 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.1 | 178.7 | -172.8 | 5.4 | 0 | 0 | 0 | 108.9 | Y107 S113 V115 V136 R137 F139 H215 | Y107-D125 PolarHBondContact OH-OD1 3.44Å; Y107-D125 PolarHBondContact OH-OD2 2.91Å; S113-D125 PolarHBondContact OG-OD1 3.1Å; S113-D125 VanDerWaalsContact OG-OD1 3.07Å; V115-D125 HydrophobicContact CG1-CB 4.32Å; V115-D125 HydrophobicContact CG2-CB 4.43Å; V115-D125 WeakPolarHBondContact CG2-OD1 3.22Å; D125-V136 CarbonylContact O-C 3.58Å; D125-V136 WeakPolarHBondContact O-CA 3.27Å; D125-R137 HydrophobicContact CB-CB 4.43Å; D125-R137 PolarHBondContact N-O 3.05Å; D125-R137 PolarHBondContact O-N 2.62Å; D125-F139 HydrophobicContact CB-CD2 4.37Å; D125-F139 HydrophobicContact CB-CE2 3.81Å; D125-H215 IonicContact OD2-CD2 3.82Å; D125-H215 IonicContact OD2-CE1 3.43Å; D125-H215 IonicContact OD2-NE2 2.84Å; D125-H215 PolarHBondContact OD2-NE2 3.32Å |
| 126 | I | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.3 | 178.5 | -52.6 | 96.7 | 0 | 0 | 0 | 107.7 | S113 V114 F116 L124 V128 L135 V136 L153 F168 I170 | S113-I126 CarbonylContact C-O 3.51Å; S113-I126 WeakPolarHBondContact CA-O 3.42Å; S113-I126 VanDerWaalsContact CB-O 3.29Å; S113-I126 WeakPolarHBondContact CB-O 3.35Å; S113-I126 PolarHBondContact OG-O 3.02Å; V114-I126 PolarHBondContact N-O 3.18Å; V114-I126 VanDerWaalsContact O-CD1 3.31Å; V114-I126 WeakPolarHBondContact O-CD1 3.13Å; V114-I126 PolarHBondContact O-N 3.17Å; F116-I126 HydrophobicContact CD2-CD1 4.14Å; F116-I126 HydrophobicContact CE2-CD1 4.26Å; L124-I126 HydrophobicContact CD1-CD1 4.41Å; L124-I126 HydrophobicContact CD1-CG1 4.47Å; L124-I126 HydrophobicContact CD2-CD1 3.64Å; L124-I126 HydrophobicContact CD2-CG1 4.33Å; L124-I126 HydrophobicContact CG-CD1 3.55Å; L124-I126 HydrophobicContact CG-CG1 4.12Å; I126-V128 HydrophobicContact CG2-CG1 4.47Å; I126-L135 CarbonylContact C-O 3.55Å; I126-L135 WeakPolarHBondContact CA-O 3.39Å; I126-V136 HydrophobicContact CG1-CG1 4.39Å; I126-V136 HydrophobicContact CG1-CG2 4.35Å; I126-V136 HydrophobicContact CG2-CG2 3.99Å; I126-L153 HydrophobicContact CG2-CD2 3.73Å; I126-F168 HydrophobicContact CB-CE2 4.49Å; I126-F168 HydrophobicContact CG2-CD2 4.19Å; I126-F168 HydrophobicContact CG2-CE2 3.81Å; I126-I170 HydrophobicContact CD1-CD1 3.86Å; I126-I170 HydrophobicContact CD1-CG1 4.48Å; I126-I170 HydrophobicContact CG1-CD1 4.39Å |
| 127 | A | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I106 Y107 V112 W134 L135 | I106-A127 HydrophobicContact CD1-CB 4.18Å; I106-A127 HydrophobicContact CG2-CB 3.66Å; Y107-A127 HydrophobicContact CE1-CB 4.18Å; Y107-A127 HydrophobicContact CE2-CB 4.25Å; V112-A127 CarbonylContact O-C 3.54Å; V112-A127 VanDerWaalsContact O-CA 3.25Å; V112-A127 WeakPolarHBondContact O-CA 2.8Å; A127-W134 CarbonylContact O-C 3.47Å; A127-W134 WeakPolarHBondContact O-CA 3.47Å; A127-W134 WeakPolarHBondContact O-CB 3.28Å; A127-L135 HydrophobicContact CB-CB 4.49Å; A127-L135 PolarHBondContact N-O 3.05Å; A127-L135 PolarHBondContact O-N 3.3Å |
| 128 | V | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 143.6 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 110 | C111 V112 I126 H133 W134 L153 V155 W164 F168 | C111-V128 CarbonylContact C-O 3.55Å; C111-V128 VanDerWaalsContact CA-O 3.23Å; C111-V128 WeakPolarHBondContact CA-O 3.46Å; C111-V128 VanDerWaalsContact CB-O 3.24Å; C111-V128 WeakPolarHBondContact CB-O 3.35Å; V112-V128 HydrophobicContact CG2-CG2 3.49Å; V112-V128 VanDerWaalsContact CG2-CG2 3.49Å; V112-V128 PolarHBondContact N-O 2.74Å; V112-V128 PolarHBondContact O-N 3.5Å; I126-V128 HydrophobicContact CG2-CG1 4.47Å; V128-H133 CarbonylContact C-O 3.5Å; V128-H133 WeakPolarHBondContact CA-O 3.43Å; V128-W134 HydrophobicContact CG1-CB 3.99Å; V128-L153 HydrophobicContact CG1-CD2 3.43Å; V128-L153 VanDerWaalsContact CG1-CD2 3.43Å; V128-V155 HydrophobicContact CG1-CG1 4.49Å; V128-V155 HydrophobicContact CG1-CG2 4.02Å; V128-W164 WeakPolarHBondContact O-CH2 2.9Å; V128-F168 HydrophobicContact CG1-CB 4.31Å; V128-F168 HydrophobicContact CG1-CD1 4.09Å; V128-F168 HydrophobicContact CG1-CD2 4.46Å; V128-F168 HydrophobicContact CG1-CE1 4.48Å; V128-F168 HydrophobicContact CG1-CG 4.06Å; V128-F168 HydrophobicContact CG2-CD1 3.76Å; V128-F168 HydrophobicContact CG2-CE1 3.74Å |
| 129 | G | 95 | Very high | 92.7 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | trans | -117.4 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E110 H131 G132 H133 N157 W164 | E110-G129 WeakPolarHBondContact O-CA 3.08Å; G129-H131 VanDerWaalsContact C-N 3.26Å; G129-H131 PolarHBondContact O-N 3.42Å; G129-G132 PolarHBondContact O-N 3.15Å; G129-H133 PolarHBondContact N-O 3.41Å; G129-N157 PolarHBondContact O-ND2 3.33Å; G129-W164 VanDerWaalsContact C-CZ2 3.44Å | ||
| 130 | P | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -30.3 | -179.2 | 24.8 | -31.1 | 0 | 0 | 0 | 112.2 | L89 E110 G132 N157 F159 W164 | L89-P130 HydrophobicContact CD1-CB 3.64Å; L89-P130 HydrophobicContact CD1-CG 3.88Å; E110-P130 HydrophobicContact CB-CG 4.28Å; E110-P130 HydrophobicContact CG-CG 4.17Å; E110-P130 WeakPolarHBondContact O-CD 3.16Å; P130-G132 PolarHBondContact O-N 2.98Å; P130-G132 VanDerWaalsContact O-N 3.08Å; P130-N157 PolarHBondContact O-ND2 3.47Å; P130-F159 HydrophobicContact CB-CE1 3.8Å; P130-F159 HydrophobicContact CB-CZ 3.93Å; P130-F159 WeakPolarHBondContact O-CZ 3.35Å; P130-W164 HydrophobicContact CB-CD2 3.92Å; P130-W164 HydrophobicContact CB-CE3 4.34Å; P130-W164 HydrophobicContact CB-CG 4.19Å; P130-W164 HydrophobicContact CB-CZ2 4.28Å |
| 131 | H | 88.3 | Confident | 92.2 | Very high | 19 Ų | 19 | 10.4 Ų | 10.4 | 9% | 0.088 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 14.4 | -179.9 | -49.6 | -71.4 | 0 | 0 | 0 | 114 | D91 E95 G129 H133 | D91-H131 IonicContact OD1-CE1 3.71Å; D91-H131 PolarHBondContact OD1-CE1 3.14Å; D91-H131 VanDerWaalsContact OD1-CE1 3.23Å; D91-H131 IonicContact OD1-NE2 3.73Å; E95-H131 HydrophobicContact CG-CB 3.91Å; E95-H131 WeakPolarHBondContact CG-ND1 3.31Å; E95-H131 IonicContact OE2-CE1 3.66Å; E95-H131 IonicContact OE2-CG 3.64Å; E95-H131 IonicContact OE2-ND1 2.74Å; E95-H131 PolarHBondContact OE2-ND1 2.87Å; G129-H131 VanDerWaalsContact C-N 3.26Å; G129-H131 PolarHBondContact O-N 3.42Å; H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 2.57Å |
| 132 | G | 85.3 | Confident | 91.8 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 86.9 | -11.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G129 P130 W134 N157 Q290 | G129-G132 PolarHBondContact O-N 3.15Å; P130-G132 PolarHBondContact O-N 2.98Å; P130-G132 VanDerWaalsContact O-N 3.08Å; G132-W134 VanDerWaalsContact O-CE3 3.23Å; G132-N157 PolarHBondContact N-ND2 3.16Å; G132-Q290 PolarHBondContact O-NE2 3.05Å |
| 133 | H | 90.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 3% | 0.032 | 11% | 0.112 | C | C | . | . | trans | -62 | 144.2 | 178 | -56.4 | 89.1 | 0 | 0 | 0 | 112.4 | D98 F99 G101 C103 I106 V128 G129 H131 | D98-H133 PolarHBondContact O-CE1 3.21Å; D98-H133 PolarHBondContact O-NE2 3.02Å; F99-H133 PolarHBondContact O-NE2 3.14Å; G101-H133 CarbonylContact O-C 3.52Å; G101-H133 WeakPolarHBondContact O-CA 3.5Å; C103-H133 HydrophobicContact CB-CB 3.67Å; I106-H133 HydrophobicContact CD1-CB 4.2Å; I106-H133 VanDerWaalsContact CD1-O 3.3Å; I106-H133 WeakPolarHBondContact CD1-O 3.39Å; V128-H133 CarbonylContact C-O 3.5Å; V128-H133 WeakPolarHBondContact CA-O 3.43Å; G129-H133 PolarHBondContact N-O 3.41Å; H131-H133 VanDerWaalsContact C-N 3.28Å; H131-H133 PolarHBondContact O-N 2.57Å | ||
| 134 | W | 94.3 | Very high | 91 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 165.4 | 171.7 | 71.4 | 86.1 | 0 | 0 | 0 | 111.9 | G101 H102 C103 A127 V128 G132 L151 L153 V155 T288 Q290 | G101-W134 VanDerWaalsContact CA-CH2 3.42Å; G101-W134 VanDerWaalsContact CA-CZ3 3.43Å; G101-W134 PolarHBondContact O-N 3.42Å; H102-W134 CarbonylContact C-O 3.55Å; H102-W134 WeakPolarHBondContact CA-O 3.41Å; C103-W134 PolarHBondContact N-O 3.46Å; A127-W134 CarbonylContact O-C 3.47Å; A127-W134 WeakPolarHBondContact O-CA 3.47Å; A127-W134 WeakPolarHBondContact O-CB 3.28Å; V128-W134 HydrophobicContact CG1-CB 3.99Å; G132-W134 VanDerWaalsContact O-CE3 3.23Å; W134-L151 PolarHBondContact NE1-O 3.26Å; W134-L153 HydrophobicContact CB-CB 4.48Å; W134-L153 HydrophobicContact CB-CD2 4.11Å; W134-L153 HydrophobicContact CD2-CB 4.17Å; W134-L153 HydrophobicContact CG-CB 3.89Å; W134-L153 HydrophobicContact CG-CD2 4.39Å; W134-V155 HydrophobicContact CB-CG2 4.4Å; W134-V155 HydrophobicContact CE3-CG2 4.18Å; W134-T288 VanDerWaalsContact CH2-CB 3.46Å; W134-T288 HydrophobicContact CH2-CG2 3.61Å; W134-T288 WeakPolarHBondContact CH2-OG1 3.33Å; W134-T288 HydrophobicContact CZ2-CG2 3.51Å; W134-Q290 HydrophobicContact CZ3-CG 3.79Å; W134-Q290 VanDerWaalsContact CZ3-NE2 3.29Å |
| 135 | L | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.7 | 170.3 | 178.9 | 63.8 | 0 | 0 | 0 | 108.5 | I106 Y107 I126 A127 R137 E149 | I106-L135 HydrophobicContact CB-CB 4.44Å; I106-L135 HydrophobicContact CG2-CB 3.54Å; I106-L135 HydrophobicContact CG2-CD2 3.73Å; I106-L135 HydrophobicContact CG2-CG 4.32Å; Y107-L135 HydrophobicContact CD2-CD2 4.12Å; Y107-L135 HydrophobicContact CE2-CD2 3.71Å; I126-L135 CarbonylContact C-O 3.55Å; I126-L135 WeakPolarHBondContact CA-O 3.39Å; A127-L135 HydrophobicContact CB-CB 4.49Å; A127-L135 PolarHBondContact N-O 3.05Å; A127-L135 PolarHBondContact O-N 3.3Å; L135-R137 HydrophobicContact CD1-CG 4.17Å; L135-R137 HydrophobicContact CG-CG 4.19Å; L135-E149 HydrophobicContact CD1-CG 3.92Å |
| 136 | V | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 106.7 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | L124 D125 I126 E149 L151 L153 Y174 | L124-V136 HydrophobicContact CD1-CG1 3.83Å; D125-V136 CarbonylContact O-C 3.58Å; D125-V136 WeakPolarHBondContact O-CA 3.27Å; I126-V136 HydrophobicContact CG1-CG1 4.39Å; I126-V136 HydrophobicContact CG1-CG2 4.35Å; I126-V136 HydrophobicContact CG2-CG2 3.99Å; V136-E149 CarbonylContact O-C 3.53Å; V136-E149 VanDerWaalsContact O-C 3.3Å; V136-E149 VanDerWaalsContact O-CA 3.32Å; V136-E149 WeakPolarHBondContact O-CA 3.45Å; V136-L151 HydrophobicContact CB-CB 3.72Å; V136-L151 HydrophobicContact CB-CD1 4.48Å; V136-L151 HydrophobicContact CG1-CB 3.63Å; V136-L151 HydrophobicContact CG1-CD1 3.68Å; V136-L151 HydrophobicContact CG1-CG 4.33Å; V136-L153 HydrophobicContact CG2-CB 4.37Å; V136-L153 HydrophobicContact CG2-CD1 4.29Å; V136-L153 HydrophobicContact CG2-CD2 4.32Å; V136-Y174 HydrophobicContact CG1-CD2 3.8Å; V136-Y174 HydrophobicContact CG1-CE2 4.02Å |
| 137 | R | 92.1 | Very high | 89.6 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.3 | -178.8 | -71.5 | 177.2 | 178.7 | 145.1 | 4.2 | 111.6 | P104 L124 D125 L135 F139 K148 E149 | P104-R137 PolarHBondContact O-NH2 2.86Å; P104-R137 VanDerWaalsContact O-NH2 3.12Å; L124-R137 WeakPolarHBondContact CA-O 3.48Å; D125-R137 HydrophobicContact CB-CB 4.43Å; D125-R137 PolarHBondContact N-O 3.05Å; D125-R137 PolarHBondContact O-N 2.62Å; L135-R137 HydrophobicContact CD1-CG 4.17Å; L135-R137 HydrophobicContact CG-CG 4.19Å; R137-F139 HydrophobicContact CB-CD2 4.12Å; R137-F139 HydrophobicContact CB-CE2 3.37Å; R137-F139 HydrophobicContact CB-CZ 3.81Å; R137-F139 HydrophobicContact CG-CE2 4.44Å; R137-F139 HydrophobicContact CG-CZ 4.46Å; R137-K148 CarbonylContact C-O 3.39Å; R137-K148 WeakPolarHBondContact CA-O 3.33Å; R137-E149 HydrophobicContact CG-CB 4.07Å; R137-E149 HydrophobicContact CG-CG 3.78Å; R137-E149 IonicContact CZ-OE1 3.05Å; R137-E149 IonicContact NE-OE1 3.33Å; R137-E149 PolarHBondContact NE-OE1 3.39Å; R137-E149 IonicContact NH2-OE1 3.45Å; R137-E149 PolarHBondContact NH2-OE1 3.11Å |
| 138 | M | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.7 | 168.8 | -66.2 | 173.5 | 175.2 | 0 | 0 | 109.1 | L124 I146 T147 K148 L151 Y174 W239 M242 | L124-M138 HydrophobicContact CD1-CE 4.46Å; L124-M138 HydrophobicContact CD1-CG 3.97Å; M138-I146 CarbonylContact O-C 3.26Å; M138-I146 WeakPolarHBondContact O-CA 3.32Å; M138-T147 VanDerWaalsContact CB-OG1 3.26Å; M138-T147 WeakPolarHBondContact CB-OG1 3.18Å; M138-T147 PolarHBondContact O-N 3.25Å; M138-T147 PolarHBondContact O-OG1 2.9Å; M138-K148 HydrophobicContact CB-CB 4.23Å; M138-K148 HydrophobicContact CG-CB 4.3Å; M138-K148 PolarHBondContact N-O 2.97Å; M138-K148 HydrophobicContact SD-CB 3.9Å; M138-K148 HydrophobicContact SD-CD 3.79Å; M138-K148 HydrophobicContact SD-CG 4.01Å; M138-L151 HydrophobicContact CE-CD1 3.46Å; M138-L151 VanDerWaalsContact CE-CD1 3.46Å; M138-L151 HydrophobicContact CG-CD1 3.82Å; M138-L151 HydrophobicContact SD-CD1 3.81Å; M138-Y174 VanDerWaalsContact CE-CA 3.4Å; M138-Y174 HydrophobicContact CE-CD1 4.12Å; M138-Y174 HydrophobicContact CE-CG 4Å; M138-Y174 WeakPolarHBondContact CE-O 3.31Å; M138-W239 HydrophobicContact CB-CZ2 4.46Å; M138-W239 HydrophobicContact CG-CZ2 4.45Å; M138-W239 HydrophobicContact SD-CG 4.38Å; M138-M242 HydrophobicContact CE-CE 4.12Å; M138-M242 HydrophobicContact CE-SD 4.04Å |
| 139 | F | 91.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 144.1 | -179.4 | -64 | -94.6 | 0 | 0 | 0 | 110.5 | Q122 Y123 D125 R137 R144 E145 I146 H215 W239 | Q122-F139 VanDerWaalsContact CA-O 3.27Å; Q122-F139 WeakPolarHBondContact CA-O 3.3Å; Y123-F139 HydrophobicContact CD1-CB 3.58Å; Y123-F139 HydrophobicContact CD1-CG 4.34Å; Y123-F139 HydrophobicContact CD2-CB 3.96Å; Y123-F139 AromaticContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CD2 3.49Å; Y123-F139 VanDerWaalsContact CD2-CD2 3.49Å; Y123-F139 HydrophobicContact CD2-CE2 4.19Å; Y123-F139 AromaticContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CD2-CG 3.95Å; Y123-F139 HydrophobicContact CE1-CB 3.24Å; Y123-F139 HydrophobicContact CE1-CD1 4.34Å; Y123-F139 HydrophobicContact CE1-CD2 4.31Å; Y123-F139 AromaticContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE1-CG 3.77Å; Y123-F139 HydrophobicContact CE2-CB 3.69Å; Y123-F139 HydrophobicContact CE2-CD1 4.04Å; Y123-F139 AromaticContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CD2 3.07Å; Y123-F139 HydrophobicContact CE2-CE1 4.41Å; Y123-F139 AromaticContact CE2-CE2 3.54Å; Y123-F139 HydrophobicContact CE2-CE2 3.54Å; Y123-F139 AromaticContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CG 3.34Å; Y123-F139 HydrophobicContact CE2-CZ 4.19Å; Y123-F139 HydrophobicContact CG-CB 3.91Å; Y123-F139 HydrophobicContact CG-CD2 4.27Å; Y123-F139 HydrophobicContact CG-CG 4.41Å; Y123-F139 AromaticContact CZ-CD1 3.64Å; Y123-F139 AromaticContact CZ-CD2 3.53Å; Y123-F139 AromaticContact CZ-CG 3.21Å; Y123-F139 PolarHBondContact N-O 2.85Å; Y123-F139 PolarHBondContact O-N 2.99Å; Y123-F139 WeakPolarHBondContact OH-CD1 3.49Å; Y123-F139 WeakPolarHBondContact OH-CG 3.47Å; D125-F139 HydrophobicContact CB-CD2 4.37Å; D125-F139 HydrophobicContact CB-CE2 3.81Å; R137-F139 HydrophobicContact CB-CD2 4.12Å; R137-F139 HydrophobicContact CB-CE2 3.37Å; R137-F139 HydrophobicContact CB-CZ 3.81Å; R137-F139 HydrophobicContact CG-CE2 4.44Å; R137-F139 HydrophobicContact CG-CZ 4.46Å; F139-R144 HydrophobicContact CD1-CB 4.27Å; F139-R144 VanDerWaalsContact CD1-O 3.28Å; F139-R144 WeakPolarHBondContact CD1-O 3.5Å; F139-E145 CarbonylContact C-O 3.5Å; F139-E145 VanDerWaalsContact CA-O 3.27Å; F139-E145 WeakPolarHBondContact CA-O 3.23Å; F139-I146 HydrophobicContact CD1-CG1 3.8Å; F139-I146 HydrophobicContact CE1-CD1 4.13Å; F139-I146 HydrophobicContact CE1-CG1 3.35Å; F139-I146 HydrophobicContact CZ-CD1 4.47Å; F139-I146 HydrophobicContact CZ-CG1 3.98Å; F139-H215 AromaticContact CZ-CE1 3.57Å; F139-W239 WeakPolarHBondContact O-CH2 3.5Å |
| 140 | S | 88.2 | Confident | 87.6 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 128.6 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | E145 | S140-E145 PolarHBondContact N-O 3.34Å |
| 141 | G | 83.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.4 | 166.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S121 G143 R144 E145 | S121-G141 PolarHBondContact O-N 3.33Å; G141-G143 PolarHBondContact O-N 3.29Å; G141-R144 PolarHBondContact O-N 2.91Å; G141-E145 WeakPolarHBondContact CA-OE2 2.97Å |
| 142 | K | 80.7 | Confident | 87 | Confident | 198 Ų | 198 | 48.2 Ų | 48.2 | 86% | 0.861 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.6 | -179.4 | -67.3 | -174.8 | 178.9 | -178.1 | 0 | 112.1 | R144 | K142-R144 PolarHBondContact O-N 3.19Š|
| 143 | G | 80.7 | Confident | 87.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 58% | 0.577 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G141 E145 | G141-G143 PolarHBondContact O-N 3.29Å; G143-E145 VanDerWaalsContact C-N 3.27Å; G143-E145 WeakPolarHBondContact CA-OE2 3.22Å; G143-E145 PolarHBondContact N-OE2 3.36Å; G143-E145 VanDerWaalsContact N-OE2 3.15Å; G143-E145 PolarHBondContact O-N 3.19Å |
| 144 | R | 86.7 | Confident | 86.9 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 45.3 | -175.5 | -58.3 | -178.3 | -171.4 | 148.3 | 0.3 | 110.8 | Y123 F139 G141 K142 I146 E213 H215 | Y123-R144 HydrophobicContact CE1-CG 4.2Å; Y123-R144 VanDerWaalsContact OH-CB 3.23Å; Y123-R144 WeakPolarHBondContact OH-CB 3.32Å; Y123-R144 WeakPolarHBondContact OH-CD 3.48Å; Y123-R144 VanDerWaalsContact OH-CG 3.26Å; Y123-R144 WeakPolarHBondContact OH-CG 3.37Å; F139-R144 HydrophobicContact CD1-CB 4.27Å; F139-R144 VanDerWaalsContact CD1-O 3.28Å; F139-R144 WeakPolarHBondContact CD1-O 3.5Å; G141-R144 PolarHBondContact O-N 2.91Å; K142-R144 PolarHBondContact O-N 3.19Å; R144-I146 PolarHBondContact O-N 3.18Å; R144-E213 IonicContact CZ-OE1 3.63Å; R144-E213 IonicContact NH1-OE1 3.35Å; R144-E213 PolarHBondContact NH1-OE1 3.25Å; R144-E213 IonicContact NH2-OE1 3.95Å; R144-E213 PolarHBondContact NH2-OE1 3.05Å; R144-E213 IonicContact NH2-OE2 3.21Å; R144-H215 PolarHBondContact NE-O 3.49Å; R144-H215 PolarHBondContact NH2-O 3.47Å |
| 145 | E | 87.6 | Confident | 86.6 | Confident | 100 Ų | 100 | 51.5 Ų | 51.5 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 123.5 | 178.9 | -58.1 | 90 | 154.8 | 0 | 0 | 110 | F139 S140 G141 G143 T147 | F139-E145 CarbonylContact C-O 3.5Å; F139-E145 VanDerWaalsContact CA-O 3.27Å; F139-E145 WeakPolarHBondContact CA-O 3.23Å; S140-E145 PolarHBondContact N-O 3.34Å; G141-E145 WeakPolarHBondContact CA-OE2 2.97Å; G143-E145 VanDerWaalsContact C-N 3.27Å; G143-E145 WeakPolarHBondContact CA-OE2 3.22Å; G143-E145 PolarHBondContact N-OE2 3.36Å; G143-E145 VanDerWaalsContact N-OE2 3.15Å; G143-E145 PolarHBondContact O-N 3.19Å; E145-T147 PolarHBondContact O-N 3.11Å |
| 146 | I | 87.2 | Confident | 86.3 | Confident | 82 Ų | 82 | 56 Ų | 56 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.6 | 174.2 | -63 | 172.2 | 0 | 0 | 0 | 108.2 | M138 F139 R144 K148 E149 | M138-I146 CarbonylContact O-C 3.26Å; M138-I146 WeakPolarHBondContact O-CA 3.32Å; F139-I146 HydrophobicContact CD1-CG1 3.8Å; F139-I146 HydrophobicContact CE1-CD1 4.13Å; F139-I146 HydrophobicContact CE1-CG1 3.35Å; F139-I146 HydrophobicContact CZ-CD1 4.47Å; F139-I146 HydrophobicContact CZ-CG1 3.98Å; R144-I146 PolarHBondContact O-N 3.18Å; I146-K148 WeakPolarHBondContact CG2-O 3.42Å; I146-E149 HydrophobicContact CG2-CB 3.96Å |
| 147 | T | 84 | Confident | 85.9 | Confident | 73 Ų | 73 | 56 Ų | 56 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -29.1 | 175.4 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | M138 E145 | M138-T147 VanDerWaalsContact CB-OG1 3.26Å; M138-T147 WeakPolarHBondContact CB-OG1 3.18Å; M138-T147 PolarHBondContact O-N 3.25Å; M138-T147 PolarHBondContact O-OG1 2.9Å; E145-T147 PolarHBondContact O-N 3.11Å |
| 148 | K | 83.2 | Confident | 85.6 | Confident | 52 Ų | 52 | 56 Ų | 56 | 23% | 0.226 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 151.3 | 174 | -61.2 | -167.4 | -178.1 | -178.6 | 0 | 110.4 | R137 M138 I146 L151 W239 M242 | R137-K148 CarbonylContact C-O 3.39Å; R137-K148 WeakPolarHBondContact CA-O 3.33Å; M138-K148 HydrophobicContact CB-CB 4.23Å; M138-K148 HydrophobicContact CG-CB 4.3Å; M138-K148 PolarHBondContact N-O 2.97Å; M138-K148 HydrophobicContact SD-CB 3.9Å; M138-K148 HydrophobicContact SD-CD 3.79Å; M138-K148 HydrophobicContact SD-CG 4.01Å; I146-K148 WeakPolarHBondContact CG2-O 3.42Å; K148-L151 HydrophobicContact CB-CD1 3.85Å; K148-L151 HydrophobicContact CB-CD2 4.48Å; K148-L151 HydrophobicContact CB-CG 4.13Å; K148-L151 HydrophobicContact CD-CD2 4.11Å; K148-W239 PolarHBondContact NZ-O 2.61Å; K148-M242 PolarHBondContact NZ-O 2.87Å |
| 149 | E | 83.9 | Confident | 85.4 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 27% | 0.271 | 29% | 0.294 | S | S | . | . | trans | -144.6 | -37.7 | -176 | 175.3 | 166.6 | -159.5 | 0 | 0 | 113.7 | H102 L135 V136 R137 I146 L151 | H102-E149 PolarHBondContact NE2-O 3.42Å; L135-E149 HydrophobicContact CD1-CG 3.92Å; V136-E149 CarbonylContact O-C 3.53Å; V136-E149 VanDerWaalsContact O-C 3.3Å; V136-E149 VanDerWaalsContact O-CA 3.32Å; V136-E149 WeakPolarHBondContact O-CA 3.45Å; R137-E149 HydrophobicContact CG-CB 4.07Å; R137-E149 HydrophobicContact CG-CG 3.78Å; R137-E149 IonicContact CZ-OE1 3.05Å; R137-E149 IonicContact NE-OE1 3.33Å; R137-E149 PolarHBondContact NE-OE1 3.39Å; R137-E149 IonicContact NH2-OE1 3.45Å; R137-E149 PolarHBondContact NH2-OE1 3.11Å; I146-E149 HydrophobicContact CG2-CB 3.96Å; E149-L151 PolarHBondContact O-N 2.83Å | ||
| 150 | E | 80.5 | Confident | 84.9 | Confident | 128 Ų | 128 | 60.9 Ų | 60.9 | 60% | 0.598 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -86.7 | 56 | 179.3 | -59.2 | -173.4 | 173.9 | 0 | 0 | 111.5 | ||
| 151 | L | 84.8 | Confident | 84.8 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -95.7 | 141.5 | 180 | -69.6 | 166.2 | 0 | 0 | 0 | 110.9 | W134 V136 M138 K148 E149 Y174 M242 | W134-L151 PolarHBondContact NE1-O 3.26Å; V136-L151 HydrophobicContact CB-CB 3.72Å; V136-L151 HydrophobicContact CB-CD1 4.48Å; V136-L151 HydrophobicContact CG1-CB 3.63Å; V136-L151 HydrophobicContact CG1-CD1 3.68Å; V136-L151 HydrophobicContact CG1-CG 4.33Å; M138-L151 HydrophobicContact CE-CD1 3.46Å; M138-L151 VanDerWaalsContact CE-CD1 3.46Å; M138-L151 HydrophobicContact CG-CD1 3.82Å; M138-L151 HydrophobicContact SD-CD1 3.81Å; K148-L151 HydrophobicContact CB-CD1 3.85Å; K148-L151 HydrophobicContact CB-CD2 4.48Å; K148-L151 HydrophobicContact CB-CG 4.13Å; K148-L151 HydrophobicContact CD-CD2 4.11Å; E149-L151 PolarHBondContact O-N 2.83Å; L151-Y174 HydrophobicContact CB-CE2 3.9Å; L151-Y174 HydrophobicContact CD2-CE1 4.26Å; L151-M242 HydrophobicContact CD2-CE 3.58Å | ||
| 152 | D | 83.3 | Confident | 85.1 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | trans | -83.5 | 148.4 | -174.5 | -71.7 | -48.8 | 0 | 0 | 0 | 112.3 | Y174 Q286 T288 | D152-Y174 PolarHBondContact N-OH 2.85Å; D152-Y174 VanDerWaalsContact O-CE2 3.28Å; D152-Y174 WeakPolarHBondContact O-CE2 3.49Å; D152-Y174 PolarHBondContact O-OH 3.32Å; D152-Q286 WeakPolarHBondContact OD2-CB 3.1Å; D152-Q286 PolarHBondContact OD2-N 2.95Å; D152-T288 HydrophobicContact CB-CG2 3.47Å; D152-T288 VanDerWaalsContact CB-CG2 3.47Å; D152-T288 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 153 | L | 86.6 | Confident | 85.6 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | trans | -139.8 | 134.9 | 179 | -158.9 | 69.7 | 0 | 0 | 0 | 109.4 | I126 V128 W134 V136 V155 F168 E169 | I126-L153 HydrophobicContact CG2-CD2 3.73Å; V128-L153 HydrophobicContact CG1-CD2 3.43Å; V128-L153 VanDerWaalsContact CG1-CD2 3.43Å; W134-L153 HydrophobicContact CB-CB 4.48Å; W134-L153 HydrophobicContact CB-CD2 4.11Å; W134-L153 HydrophobicContact CD2-CB 4.17Å; W134-L153 HydrophobicContact CG-CB 3.89Å; W134-L153 HydrophobicContact CG-CD2 4.39Å; V136-L153 HydrophobicContact CG2-CB 4.37Å; V136-L153 HydrophobicContact CG2-CD1 4.29Å; V136-L153 HydrophobicContact CG2-CD2 4.32Å; L153-V155 HydrophobicContact CB-CG2 4.01Å; L153-V155 HydrophobicContact CD2-CG2 3.68Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; L153-F168 HydrophobicContact CD1-CD2 4.34Å; L153-F168 HydrophobicContact CD2-CB 3.89Å; L153-F168 HydrophobicContact CD2-CD2 3.87Å; L153-F168 HydrophobicContact CD2-CG 4.12Å; L153-F168 HydrophobicContact CG-CB 4.16Å; L153-F168 HydrophobicContact CG-CD2 4.45Å; L153-E169 VanDerWaalsContact CD1-O 3.23Å; L153-E169 WeakPolarHBondContact CD1-O 3.35Å | ||
| 154 | E | 86.6 | Confident | 86.2 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118 | 166 | -69.2 | -177 | -159.8 | 0 | 0 | 107.5 | K78 F168 E169 | K78-E154 IonicContact NZ-OE1 3.99Å; K78-E154 PolarHBondContact NZ-OE1 3.06Å; K78-E154 IonicContact NZ-OE2 2.62Å; K78-E154 PolarHBondContact NZ-OE2 3.1Å; E154-F168 WeakPolarHBondContact O-CA 3.45Å; E154-F168 WeakPolarHBondContact O-CB 3.41Å; E154-E169 HydrophobicContact CB-CB 4.4Å; E154-E169 HydrophobicContact CB-CG 4.4Å; E154-E169 PolarHBondContact O-N 2.9Å; E154-E169 VanDerWaalsContact O-N 3.1Å |
| 155 | V | 87.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.5 | -177 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | V128 W134 L153 V167 F168 H291 | V128-V155 HydrophobicContact CG1-CG1 4.49Å; V128-V155 HydrophobicContact CG1-CG2 4.02Å; W134-V155 HydrophobicContact CB-CG2 4.4Å; W134-V155 HydrophobicContact CE3-CG2 4.18Å; L153-V155 HydrophobicContact CB-CG2 4.01Å; L153-V155 HydrophobicContact CD2-CG2 3.68Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; V155-V167 CarbonylContact C-O 3.52Å; V155-V167 WeakPolarHBondContact CA-O 3.46Å; V155-F168 HydrophobicContact CG2-CB 4.06Å; V155-H291 PolarHBondContact O-N 2.76Å |
| 156 | Q | 87.9 | Confident | 86.7 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.3 | 175.1 | -59.7 | -173.8 | -6.2 | 0 | 0 | 109.4 | C166 V167 H291 | Q156-C166 CarbonylContact O-C 3.58Å; Q156-C166 WeakPolarHBondContact O-CA 3.47Å; Q156-V167 PolarHBondContact N-O 2.82Å; Q156-V167 PolarHBondContact O-N 2.94Å; Q156-H291 WeakPolarHBondContact CA-O 3.39Å; Q156-H291 HydrophobicContact CG-CB 4.26Å |
| 157 | N | 87 | Confident | 87 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.5 | 177.5 | -72 | -41.3 | 0 | 0 | 0 | 109.8 | G129 P130 G132 F159 W164 R165 C166 H291 E293 | G129-N157 PolarHBondContact O-ND2 3.33Å; P130-N157 PolarHBondContact O-ND2 3.47Å; G132-N157 PolarHBondContact N-ND2 3.16Å; N157-F159 HydrophobicContact CB-CE2 3.89Å; N157-F159 HydrophobicContact CB-CZ 3.9Å; N157-W164 PolarHBondContact OD1-NE1 3.46Å; N157-R165 WeakPolarHBondContact CA-O 3.36Å; N157-C166 WeakPolarHBondContact OD1-CB 3.33Å; N157-C166 PolarHBondContact OD1-SG 3.35Å; N157-H291 PolarHBondContact N-O 3.08Å; N157-H291 VanDerWaalsContact N-O 3.14Å; N157-E293 PolarHBondContact O-N 2.88Å |
| 158 | V | 84 | Confident | 87.5 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 24% | 0.242 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.2 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | R165 E293 F295 | V158-R165 HydrophobicContact CB-CB 4.37Å; V158-R165 PolarHBondContact N-O 3.32Å; V158-R165 PolarHBondContact O-N 2.88Å; V158-E293 WeakPolarHBondContact CA-O 3.41Å; V158-E293 HydrophobicContact CG2-CB 4.48Å; V158-F295 HydrophobicContact CG1-CD2 4.04Å; V158-F295 HydrophobicContact CG1-CE2 3.88Å |
| 159 | F | 87 | Confident | 88 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.6 | -178.2 | -55.7 | -81.1 | 0 | 0 | 0 | 111.4 | L89 P130 N157 T163 W164 V292 E293 R294 F295 | L89-F159 HydrophobicContact CD1-CD1 4.46Å; L89-F159 HydrophobicContact CD1-CE1 3.98Å; L89-F159 HydrophobicContact CD2-CD1 3.83Å; L89-F159 HydrophobicContact CD2-CE1 4.09Å; P130-F159 HydrophobicContact CB-CE1 3.8Å; P130-F159 HydrophobicContact CB-CZ 3.93Å; P130-F159 WeakPolarHBondContact O-CZ 3.35Å; N157-F159 HydrophobicContact CB-CE2 3.89Å; N157-F159 HydrophobicContact CB-CZ 3.9Å; F159-T163 WeakPolarHBondContact CA-O 3.21Å; F159-W164 HydrophobicContact CD1-CB 4.35Å; F159-W164 HydrophobicContact CE1-CB 4.23Å; F159-W164 AromaticContact CE1-CD1 3.61Å; F159-W164 HydrophobicContact CE1-CG 4.06Å; F159-V292 HydrophobicContact CE2-CG1 3.98Å; F159-E293 PolarHBondContact N-O 2.8Å; F159-R294 HydrophobicContact CD2-CG 3.67Å; F159-R294 HydrophobicContact CE2-CG 4.18Å; F159-F295 PolarHBondContact O-N 2.99Å |
| 160 | E | 81.6 | Confident | 88.5 | Confident | 98 Ų | 98 | 41.8 Ų | 41.8 | 46% | 0.458 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 100.1 | 173.8 | -173.1 | 178.7 | -165.5 | 0 | 0 | 109.1 | N162 T163 R165 | E160-N162 PolarHBondContact O-N 2.83Å; E160-T163 PolarHBondContact N-O 3.11Å; E160-T163 VanDerWaalsContact N-O 3.11Å; E160-T163 WeakPolarHBondContact O-CB 3.35Å; E160-T163 PolarHBondContact O-N 3.22Å; E160-T163 VanDerWaalsContact O-N 3.07Å; E160-R165 IonicContact OE2-CZ 2.67Å; E160-R165 VanDerWaalsContact OE2-CZ 3.25Å; E160-R165 IonicContact OE2-NH1 3.04Å; E160-R165 PolarHBondContact OE2-NH1 2.97Å; E160-R165 IonicContact OE2-NH2 3.12Å; E160-R165 PolarHBondContact OE2-NH2 2.72Å |
| 161 | G | 86.5 | Confident | 89 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 53% | 0.526 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -121.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 162 | N | 90.1 | Very high | 89 | Confident | 133 Ų | 133 | 37.3 Ų | 37.3 | 71% | 0.711 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 19.9 | 177.1 | -64.3 | 2.8 | 0 | 0 | 0 | 112.2 | P88 L89 E160 | P88-N162 WeakPolarHBondContact CA-O 3.42Å; L89-N162 PolarHBondContact N-O 3.07Å; E160-N162 PolarHBondContact O-N 2.83Å |
| 163 | T | 90.3 | Very high | 89 | Confident | 44 Ų | 44 | 36.6 Ų | 36.6 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | G87 F159 E160 R165 | G87-T163 WeakPolarHBondContact O-CA 3.3Å; F159-T163 WeakPolarHBondContact CA-O 3.21Å; E160-T163 PolarHBondContact N-O 3.11Å; E160-T163 VanDerWaalsContact N-O 3.11Å; E160-T163 WeakPolarHBondContact O-CB 3.35Å; E160-T163 PolarHBondContact O-N 3.22Å; E160-T163 VanDerWaalsContact O-N 3.07Å; T163-R165 HydrophobicContact CG2-CG 4.16Å |
| 164 | W | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.9 | 171.7 | 171.3 | 32.7 | 0 | 0 | 0 | 109.4 | F61 G87 L89 V112 V128 G129 P130 N157 F159 C166 | F61-W164 AromaticContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CE3 3.9Å; F61-W164 HydrophobicContact CE1-CZ3 4.12Å; F61-W164 HydrophobicContact CZ-CE3 4.47Å; G87-W164 PolarHBondContact N-O 2.8Å; G87-W164 PolarHBondContact O-N 2.87Å; L89-W164 HydrophobicContact CB-CB 4Å; L89-W164 HydrophobicContact CD1-CB 4.29Å; V112-W164 HydrophobicContact CB-CH2 4.46Å; V112-W164 HydrophobicContact CG1-CH2 4.14Å; V112-W164 HydrophobicContact CG1-CZ3 3.92Å; V112-W164 HydrophobicContact CG2-CH2 3.86Å; V112-W164 HydrophobicContact CG2-CZ2 4.48Å; V112-W164 HydrophobicContact CG2-CZ3 4.48Å; V128-W164 WeakPolarHBondContact O-CH2 2.9Å; G129-W164 VanDerWaalsContact C-CZ2 3.44Å; P130-W164 HydrophobicContact CB-CD2 3.92Å; P130-W164 HydrophobicContact CB-CE3 4.34Å; P130-W164 HydrophobicContact CB-CG 4.19Å; P130-W164 HydrophobicContact CB-CZ2 4.28Å; N157-W164 PolarHBondContact OD1-NE1 3.46Å; F159-W164 HydrophobicContact CD1-CB 4.35Å; F159-W164 HydrophobicContact CE1-CB 4.23Å; F159-W164 AromaticContact CE1-CD1 3.61Å; F159-W164 HydrophobicContact CE1-CG 4.06Å; W164-C166 HydrophobicContact CZ2-CB 3.92Å |
| 165 | R | 93.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 33.9 Ų | 33.9 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125 | 170.1 | -57.7 | -170.1 | -173.9 | 108.6 | 2.4 | 109.7 | V85 D86 N157 V158 E160 T163 | V85-R165 CarbonylContact O-C 3.53Å; V85-R165 VanDerWaalsContact O-CA 3.27Å; V85-R165 WeakPolarHBondContact O-CA 3.43Å; D86-R165 WeakPolarHBondContact OD2-CD 3.14Å; D86-R165 WeakPolarHBondContact OD2-CG 3.37Å; D86-R165 IonicContact OD2-CZ 2.68Å; D86-R165 IonicContact OD2-NE 3.42Å; D86-R165 PolarHBondContact OD2-NE 2.85Å; N157-R165 WeakPolarHBondContact CA-O 3.36Å; V158-R165 HydrophobicContact CB-CB 4.37Å; V158-R165 PolarHBondContact N-O 3.32Å; V158-R165 PolarHBondContact O-N 2.88Å; E160-R165 IonicContact OE2-CZ 2.67Å; E160-R165 VanDerWaalsContact OE2-CZ 3.25Å; E160-R165 IonicContact OE2-NH1 3.04Å; E160-R165 PolarHBondContact OE2-NH1 2.97Å; E160-R165 IonicContact OE2-NH2 3.12Å; E160-R165 PolarHBondContact OE2-NH2 2.72Å; T163-R165 HydrophobicContact CG2-CG 4.16Å |
| 166 | C | 91.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 138 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | Y84 V85 Q156 N157 W164 | Y84-C166 CarbonylContact C-O 3.52Å; Y84-C166 WeakPolarHBondContact CA-O 3.48Å; V85-C166 HydrophobicContact CB-CB 4.19Å; V85-C166 PolarHBondContact N-O 2.99Å; V85-C166 PolarHBondContact O-N 3.1Å; Q156-C166 CarbonylContact O-C 3.58Å; Q156-C166 WeakPolarHBondContact O-CA 3.47Å; N157-C166 WeakPolarHBondContact OD1-CB 3.33Å; N157-C166 PolarHBondContact OD1-SG 3.35Å; W164-C166 HydrophobicContact CZ2-CB 3.92Å |
| 167 | V | 94.4 | Very high | 89.4 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.9 | 166.7 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | V83 Y84 V155 Q156 | V83-V167 VanDerWaalsContact O-CA 3.31Å; V83-V167 WeakPolarHBondContact O-CA 3.35Å; Y84-V167 HydrophobicContact CD1-CB 4.37Å; Y84-V167 HydrophobicContact CD1-CG1 4.01Å; Y84-V167 HydrophobicContact CD1-CG2 3.48Å; Y84-V167 VanDerWaalsContact CD1-CG2 3.48Å; Y84-V167 HydrophobicContact CE1-CG1 3.89Å; Y84-V167 HydrophobicContact CE1-CG2 3.88Å; Y84-V167 HydrophobicContact CG-CG2 4.35Å; V155-V167 CarbonylContact C-O 3.52Å; V155-V167 WeakPolarHBondContact CA-O 3.46Å; Q156-V167 PolarHBondContact N-O 2.82Å; Q156-V167 PolarHBondContact O-N 2.94Å |
| 168 | F | 94.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 149.2 | 172.8 | 63.2 | -86.8 | 0 | 0 | 0 | 112.6 | V83 V85 V114 I126 V128 L153 E154 V155 I170 | V83-F168 HydrophobicContact CB-CD1 4Å; V83-F168 HydrophobicContact CB-CD2 4.03Å; V83-F168 HydrophobicContact CB-CE1 3.62Å; V83-F168 HydrophobicContact CB-CE2 3.66Å; V83-F168 HydrophobicContact CB-CG 4.22Å; V83-F168 HydrophobicContact CB-CZ 3.45Å; V83-F168 VanDerWaalsContact CB-CZ 3.45Å; V83-F168 HydrophobicContact CG1-CD1 4.39Å; V83-F168 HydrophobicContact CG1-CE1 3.58Å; V83-F168 HydrophobicContact CG1-CE2 4.16Å; V83-F168 HydrophobicContact CG1-CZ 3.45Å; V83-F168 VanDerWaalsContact CG1-CZ 3.45Å; V83-F168 HydrophobicContact CG2-CD2 4.04Å; V83-F168 HydrophobicContact CG2-CE1 4.39Å; V83-F168 HydrophobicContact CG2-CE2 3.52Å; V83-F168 HydrophobicContact CG2-CZ 3.73Å; V83-F168 PolarHBondContact N-O 3.42Å; V83-F168 PolarHBondContact O-N 3.18Å; V85-F168 HydrophobicContact CG2-CE1 3.91Å; V114-F168 HydrophobicContact CG2-CZ 4.14Å; I126-F168 HydrophobicContact CB-CE2 4.49Å; I126-F168 HydrophobicContact CG2-CD2 4.19Å; I126-F168 HydrophobicContact CG2-CE2 3.81Å; V128-F168 HydrophobicContact CG1-CB 4.31Å; V128-F168 HydrophobicContact CG1-CD1 4.09Å; V128-F168 HydrophobicContact CG1-CD2 4.46Å; V128-F168 HydrophobicContact CG1-CE1 4.48Å; V128-F168 HydrophobicContact CG1-CG 4.06Å; V128-F168 HydrophobicContact CG2-CD1 3.76Å; V128-F168 HydrophobicContact CG2-CE1 3.74Å; L153-F168 HydrophobicContact CD1-CD2 4.34Å; L153-F168 HydrophobicContact CD2-CB 3.89Å; L153-F168 HydrophobicContact CD2-CD2 3.87Å; L153-F168 HydrophobicContact CD2-CG 4.12Å; L153-F168 HydrophobicContact CG-CB 4.16Å; L153-F168 HydrophobicContact CG-CD2 4.45Å; E154-F168 WeakPolarHBondContact O-CA 3.45Å; E154-F168 WeakPolarHBondContact O-CB 3.41Å; V155-F168 HydrophobicContact CG2-CB 4.06Å; F168-I170 HydrophobicContact CD2-CG1 3.95Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 3.88Å |
| 169 | E | 93.5 | Very high | 90 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.2 | -174.3 | -53.4 | -160.3 | -178.1 | 0 | 0 | 111.3 | K78 V80 K82 L153 E154 P171 | K78-E169 WeakPolarHBondContact CD-OE2 3.37Å; K78-E169 WeakPolarHBondContact CE-OE2 3.47Å; K78-E169 IonicContact NZ-OE1 3.17Å; K78-E169 PolarHBondContact NZ-OE1 3.08Å; K78-E169 IonicContact NZ-OE2 3.83Å; K78-E169 PolarHBondContact NZ-OE2 3.45Å; V80-E169 HydrophobicContact CB-CB 4.14Å; V80-E169 HydrophobicContact CG1-CB 4.18Å; V80-E169 HydrophobicContact CG2-CB 4.1Å; V80-E169 HydrophobicContact CG2-CG 4.48Å; V80-E169 WeakPolarHBondContact CG2-OE2 3.37Å; K82-E169 VanDerWaalsContact CE-CD 3.48Å; K82-E169 WeakPolarHBondContact CE-OE1 3.31Å; K82-E169 HydrophobicContact CG-CG 4.12Å; K82-E169 IonicContact NZ-OE1 3.23Å; K82-E169 PolarHBondContact NZ-OE1 2.84Å; L153-E169 VanDerWaalsContact CD1-O 3.23Å; L153-E169 WeakPolarHBondContact CD1-O 3.35Å; E154-E169 HydrophobicContact CB-CB 4.4Å; E154-E169 HydrophobicContact CB-CG 4.4Å; E154-E169 PolarHBondContact O-N 2.9Å; E154-E169 VanDerWaalsContact O-N 3.1Å; E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.32Å |
| 170 | I | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.8 | 178.9 | -50.2 | 171 | 0 | 0 | 0 | 109 | V80 V81 V83 F116 L124 I126 F168 L172 Y174 F175 | V80-I170 CarbonylContact C-O 3.3Å; V80-I170 WeakPolarHBondContact CA-O 3.35Å; V80-I170 WeakPolarHBondContact CB-O 3.49Å; V81-I170 PolarHBondContact N-O 2.86Å; V81-I170 PolarHBondContact O-N 2.82Å; V83-I170 HydrophobicContact CG2-CD1 3.62Å; V83-I170 HydrophobicContact CG2-CG1 4.08Å; F116-I170 HydrophobicContact CE2-CD1 3.75Å; F116-I170 HydrophobicContact CZ-CD1 4.45Å; L124-I170 HydrophobicContact CD2-CG2 3.85Å; I126-I170 HydrophobicContact CD1-CD1 3.86Å; I126-I170 HydrophobicContact CD1-CG1 4.48Å; I126-I170 HydrophobicContact CG1-CD1 4.39Å; F168-I170 HydrophobicContact CD2-CG1 3.95Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 3.88Å; I170-L172 PolarHBondContact O-N 2.87Å; I170-Y174 HydrophobicContact CG2-CD2 4.5Å; I170-F175 HydrophobicContact CB-CE2 3.92Å; I170-F175 HydrophobicContact CB-CZ 4.1Å; I170-F175 HydrophobicContact CD1-CZ 4.18Å; I170-F175 HydrophobicContact CG2-CD2 4.16Å; I170-F175 HydrophobicContact CG2-CE2 3.39Å; I170-F175 HydrophobicContact CG2-CZ 3.74Å |
| 171 | P | 90.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 30 Ų | 30 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 136.8 | 174.9 | -24.4 | 36 | 0 | 0 | 0 | 111.9 | E169 A173 Y174 | E169-P171 VanDerWaalsContact O-CD 3.3Å; E169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-A173 PolarHBondContact O-N 2.89Å; P171-Y174 HydrophobicContact CB-CD1 3.78Å; P171-Y174 HydrophobicContact CB-CE1 3.82Å; P171-Y174 HydrophobicContact CB-CG 4.17Å; P171-Y174 HydrophobicContact CG-CD1 4.06Å; P171-Y174 HydrophobicContact CG-CD2 4.19Å; P171-Y174 HydrophobicContact CG-CE1 3.73Å; P171-Y174 HydrophobicContact CG-CE2 3.91Å; P171-Y174 HydrophobicContact CG-CG 4.29Å; P171-Y174 WeakPolarHBondContact O-CB 3.27Å; P171-Y174 PolarHBondContact O-N 3.43Å |
| 172 | L | 84 | Confident | 91.6 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -51.1 | -34.6 | 175.4 | 175.3 | 65.2 | 0 | 0 | 0 | 111.7 | W67 R79 I170 Y174 F175 I229 F233 | W67-L172 HydrophobicContact CH2-CD2 4.27Å; W67-L172 HydrophobicContact CZ3-CD1 4.41Å; R79-L172 HydrophobicContact CB-CB 4.05Å; R79-L172 HydrophobicContact CB-CD2 4.33Å; R79-L172 WeakPolarHBondContact O-CB 3.26Å; R79-L172 PolarHBondContact O-N 3.4Å; I170-L172 PolarHBondContact O-N 2.87Å; L172-Y174 PolarHBondContact O-N 3.11Å; L172-Y174 VanDerWaalsContact O-N 3.11Å; L172-F175 PolarHBondContact O-N 2.83Å; L172-I229 HydrophobicContact CD1-CD1 3.96Å; L172-I229 HydrophobicContact CD1-CG1 4.36Å; L172-I229 HydrophobicContact CD1-CG2 3.71Å; L172-F233 HydrophobicContact CD1-CB 4.16Å; L172-F233 HydrophobicContact CD2-CB 3.8Å; L172-F233 HydrophobicContact CD2-CD1 3.55Å; L172-F233 HydrophobicContact CD2-CE1 4.42Å; L172-F233 HydrophobicContact CD2-CG 3.9Å |
| 173 | A | 83.5 | Confident | 92 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 17% | 0.174 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -62.4 | -19.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P171 L238 M242 | P171-A173 PolarHBondContact O-N 2.89Å; A173-L238 HydrophobicContact CB-CB 3.8Å; A173-L238 HydrophobicContact CB-CD1 3.83Å; A173-L238 HydrophobicContact CB-CG 4.4Å; A173-M242 VanDerWaalsContact C-SD 3.55Å; A173-M242 HydrophobicContact CB-CG 3.79Å; A173-M242 HydrophobicContact CB-SD 3.52Å; A173-M242 VanDerWaalsContact CB-SD 3.52Å |
| 174 | Y | 91 | Very high | 92.4 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 6% | 0.055 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -80.9 | -25.3 | -176.1 | -67.6 | 14 | 0 | 0 | 0 | 111.8 | V136 M138 L151 D152 I170 P171 L172 W239 M242 | V136-Y174 HydrophobicContact CG1-CD2 3.8Å; V136-Y174 HydrophobicContact CG1-CE2 4.02Å; M138-Y174 VanDerWaalsContact CE-CA 3.4Å; M138-Y174 HydrophobicContact CE-CD1 4.12Å; M138-Y174 HydrophobicContact CE-CG 4Å; M138-Y174 WeakPolarHBondContact CE-O 3.31Å; L151-Y174 HydrophobicContact CB-CE2 3.9Å; L151-Y174 HydrophobicContact CD2-CE1 4.26Å; D152-Y174 PolarHBondContact N-OH 2.85Å; D152-Y174 VanDerWaalsContact O-CE2 3.28Å; D152-Y174 WeakPolarHBondContact O-CE2 3.49Å; D152-Y174 PolarHBondContact O-OH 3.32Å; I170-Y174 HydrophobicContact CG2-CD2 4.5Å; P171-Y174 HydrophobicContact CB-CD1 3.78Å; P171-Y174 HydrophobicContact CB-CE1 3.82Å; P171-Y174 HydrophobicContact CB-CG 4.17Å; P171-Y174 HydrophobicContact CG-CD1 4.06Å; P171-Y174 HydrophobicContact CG-CD2 4.19Å; P171-Y174 HydrophobicContact CG-CE1 3.73Å; P171-Y174 HydrophobicContact CG-CE2 3.91Å; P171-Y174 HydrophobicContact CG-CG 4.29Å; P171-Y174 WeakPolarHBondContact O-CB 3.27Å; P171-Y174 PolarHBondContact O-N 3.43Å; L172-Y174 PolarHBondContact O-N 3.11Å; L172-Y174 VanDerWaalsContact O-N 3.11Å; Y174-W239 PolarHBondContact O-NE1 2.87Å; Y174-M242 HydrophobicContact CD1-CE 3.35Å; Y174-M242 HydrophobicContact CD1-SD 3.68Å; Y174-M242 HydrophobicContact CE1-CE 3.16Å; Y174-M242 HydrophobicContact CE1-SD 4.05Å |
| 175 | F | 90 | Very high | 92.6 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -69.4 | 139.2 | -176.1 | -71.1 | -94.6 | 0 | 0 | 0 | 111.8 | V81 F116 L124 I170 L172 V179 I229 W239 | V81-F175 HydrophobicContact CB-CE2 4.18Å; V81-F175 HydrophobicContact CB-CZ 3.87Å; V81-F175 HydrophobicContact CG2-CE2 3.8Å; V81-F175 HydrophobicContact CG2-CZ 3.59Å; F116-F175 HydrophobicContact CB-CD1 4.21Å; F116-F175 HydrophobicContact CB-CE1 4.28Å; F116-F175 HydrophobicContact CD1-CD1 4.46Å; F116-F175 AromaticContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD1-CE1 3.88Å; F116-F175 HydrophobicContact CD2-CD1 4.23Å; F116-F175 AromaticContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CE1 3.55Å; F116-F175 HydrophobicContact CD2-CZ 4.3Å; F116-F175 HydrophobicContact CE1-CE1 4.02Å; F116-F175 AromaticContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CE1 3.7Å; F116-F175 HydrophobicContact CE2-CZ 4.1Å; F116-F175 HydrophobicContact CG-CD1 4.05Å; F116-F175 AromaticContact CG-CE1 3.62Å; F116-F175 HydrophobicContact CG-CE1 3.62Å; F116-F175 AromaticContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CE1 3.93Å; F116-F175 HydrophobicContact CZ-CZ 4.35Å; L124-F175 HydrophobicContact CD2-CD1 4.45Å; L124-F175 HydrophobicContact CD2-CG 4.44Å; I170-F175 HydrophobicContact CB-CE2 3.92Å; I170-F175 HydrophobicContact CB-CZ 4.1Å; I170-F175 HydrophobicContact CD1-CZ 4.18Å; I170-F175 HydrophobicContact CG2-CD2 4.16Å; I170-F175 HydrophobicContact CG2-CE2 3.39Å; I170-F175 HydrophobicContact CG2-CZ 3.74Å; L172-F175 PolarHBondContact O-N 2.83Å; F175-V179 HydrophobicContact CB-CG2 4.37Å; F175-V179 HydrophobicContact CD1-CG2 4.12Å; F175-I229 HydrophobicContact CD1-CD1 4.04Å; F175-I229 HydrophobicContact CD2-CD1 4.15Å; F175-I229 HydrophobicContact CE1-CD1 4.26Å; F175-I229 HydrophobicContact CE2-CD1 4.38Å; F175-I229 HydrophobicContact CG-CD1 3.97Å; F175-I229 HydrophobicContact CZ-CD1 4.43Å; F175-W239 PolarHBondContact O-NE1 3.02Å |
| 176 | P | 90.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 155.5 | 164.9 | 23.2 | -24.9 | 0 | 0 | 0 | 110.1 | Q122 V179 W239 | Q122-P176 HydrophobicContact CB-CB 3.87Å; P176-V179 HydrophobicContact CG-CG2 4.07Å; P176-V179 VanDerWaalsContact O-CG2 3.27Å; P176-V179 WeakPolarHBondContact O-CG2 3.36Å; P176-W239 HydrophobicContact CB-CH2 3.81Å; P176-W239 HydrophobicContact CB-CZ2 3.47Å; P176-W239 VanDerWaalsContact CB-CZ2 3.47Å; P176-W239 HydrophobicContact CG-CZ2 4.06Å |
| 177 | A | 85.5 | Confident | 93.1 | Very high | 10 Ų | 10 | 15.5 Ų | 15.5 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 147.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N118 V179 N234 | N118-A177 WeakPolarHBondContact CB-O 3.34Å; N118-A177 PolarHBondContact ND2-O 3.26Å; A177-V179 PolarHBondContact O-N 2.87Å; A177-N234 CarbonylContact C-O 3.56Å; A177-N234 WeakPolarHBondContact CA-O 3.47Å |
| 178 | A | 90.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 14.3 Ų | 14.3 | 37% | 0.372 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 51.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N118 T180 N234 | N118-A178 WeakPolarHBondContact CB-O 2.91Å; A178-T180 WeakPolarHBondContact O-CG2 3.49Å; A178-T180 PolarHBondContact O-N 2.97Å; A178-N234 WeakPolarHBondContact CA-ND2 3.23Å; A178-N234 PolarHBondContact N-O 3.01Å; A178-N234 PolarHBondContact N-OD1 2.82Å |
| 179 | V | 94.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.024 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 129 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | F116 F175 P176 A177 I223 I225 N234 | F116-V179 HydrophobicContact CB-CG1 3.93Å; F116-V179 HydrophobicContact CD1-CG1 4.15Å; F175-V179 HydrophobicContact CB-CG2 4.37Å; F175-V179 HydrophobicContact CD1-CG2 4.12Å; P176-V179 HydrophobicContact CG-CG2 4.07Å; P176-V179 VanDerWaalsContact O-CG2 3.27Å; P176-V179 WeakPolarHBondContact O-CG2 3.36Å; A177-V179 PolarHBondContact O-N 2.87Å; V179-I223 HydrophobicContact CG1-CG2 3.96Å; V179-I225 HydrophobicContact CB-CD1 3.99Å; V179-I225 HydrophobicContact CB-CG1 4.07Å; V179-I225 HydrophobicContact CG1-CD1 4.08Å; V179-I225 HydrophobicContact CG2-CD1 4.47Å; V179-N234 PolarHBondContact N-ND2 3.07Å; V179-N234 PolarHBondContact N-OD1 2.81Å |
| 180 | T | 94.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 15.3 Ų | 15.3 | 27% | 0.27 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -18.5 | -177.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | A117 N119 A178 A222 I223 | A117-T180 PolarHBondContact O-N 2.84Å; N119-T180 PolarHBondContact OD1-OG1 2.97Å; A178-T180 WeakPolarHBondContact O-CG2 3.49Å; A178-T180 PolarHBondContact O-N 2.97Å; T180-A222 WeakPolarHBondContact O-CA 3.2Å; T180-I223 PolarHBondContact O-N 3.25Å |
| 181 | R | 96.5 | Very high | 93.2 | Very high | 64 Ų | 64 | 20.4 Ų | 20.4 | 24% | 0.242 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.3 | -175.3 | 70.2 | -168.1 | 78.1 | -143.2 | 2.6 | 111.8 | A117 N119 I217 Y220 K221 | A117-R181 HydrophobicContact CB-CG 3.69Å; A117-R181 PolarHBondContact N-O 2.7Å; A117-R181 PolarHBondContact O-N 3.43Å; A117-R181 VanDerWaalsContact O-N 3.09Å; N119-R181 PolarHBondContact OD1-NH2 3.32Å; R181-I217 WeakPolarHBondContact CD-O 3.41Å; R181-Y220 HydrophobicContact CG-CD2 4.25Å; R181-K221 CarbonylContact C-O 3.45Å; R181-K221 WeakPolarHBondContact CA-O 3.33Å; R181-K221 WeakPolarHBondContact CB-O 3.42Å |
| 182 | Y | 97.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162.7 | 179.1 | 78.3 | -56.7 | 0 | 0 | 0 | 112 | N42 F44 V115 F199 Y220 K221 I223 | N42-Y182 PolarHBondContact ND2-OH 3.14Å; F44-Y182 AromaticContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CD1-CE2 3.76Å; F44-Y182 HydrophobicContact CE1-CD2 4.36Å; F44-Y182 AromaticContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CE1-CE2 3.56Å; F44-Y182 HydrophobicContact CG-CE2 4.46Å; F44-Y182 HydrophobicContact CZ-CE2 4.14Å; V115-Y182 CarbonylContact O-C 3.56Å; V115-Y182 WeakPolarHBondContact O-CA 3.37Å; V115-Y182 VanDerWaalsContact O-CB 3.26Å; V115-Y182 WeakPolarHBondContact O-CB 3.38Å; Y182-F199 AromaticContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE2-CD1 4.21Å; Y182-F199 AromaticContact CE2-CE1 3.79Å; Y182-F199 HydrophobicContact CE2-CE1 3.79Å; Y182-F199 AromaticContact CZ-CE1 3.42Å; Y182-F199 VanDerWaalsContact CZ-CE1 3.42Å; Y182-F199 WeakPolarHBondContact OH-CE1 3.39Å; Y182-F199 WeakPolarHBondContact OH-CZ 3.11Å; Y182-Y220 WeakPolarHBondContact O-CB 3.43Å; Y182-K221 HydrophobicContact CD1-CB 4.43Å; Y182-K221 WeakPolarHBondContact CD1-O 3.38Å; Y182-K221 HydrophobicContact CE1-CB 4.15Å; Y182-K221 HydrophobicContact CE1-CD 4.35Å; Y182-K221 HydrophobicContact CE1-CG 4.46Å; Y182-K221 PolarHBondContact N-O 2.82Å; Y182-K221 PolarHBondContact O-N 2.88Å; Y182-I223 HydrophobicContact CD1-CB 3.55Å; Y182-I223 HydrophobicContact CD1-CD1 3.83Å; Y182-I223 HydrophobicContact CD1-CG1 3.85Å; Y182-I223 HydrophobicContact CD2-CD1 4.22Å; Y182-I223 HydrophobicContact CE1-CB 3.92Å; Y182-I223 HydrophobicContact CE1-CD1 4.2Å; Y182-I223 HydrophobicContact CE1-CG1 3.95Å; Y182-I223 HydrophobicContact CG-CB 4.29Å; Y182-I223 HydrophobicContact CG-CD1 3.81Å; Y182-I223 HydrophobicContact CG-CG1 4.35Å |
| 183 | N | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 169 | 169.1 | -154 | -1.9 | 0 | 0 | 0 | 109.9 | V114 V115 F185 Q200 Y220 | V114-N183 WeakPolarHBondContact CA-O 3.22Å; V115-N183 PolarHBondContact N-O 3.14Å; V115-N183 PolarHBondContact O-N 3.33Å; N183-F185 HydrophobicContact CB-CE2 4.21Å; N183-F185 HydrophobicContact CB-CZ 4.09Å; N183-F185 VanDerWaalsContact ND2-CZ 3.29Å; N183-F185 WeakPolarHBondContact ND2-CZ 3.49Å; N183-Q200 PolarHBondContact ND2-O 3.13Å; N183-Q200 WeakPolarHBondContact OD1-CB 3.5Å; N183-Q200 PolarHBondContact OD1-N 2.85Å; N183-Q200 PolarHBondContact OD1-O 3.12Å; N183-Y220 HydrophobicContact CB-CD1 3.55Å; N183-Y220 HydrophobicContact CB-CD2 3.92Å; N183-Y220 HydrophobicContact CB-CE1 3.64Å; N183-Y220 HydrophobicContact CB-CE2 4Å; N183-Y220 HydrophobicContact CB-CG 3.7Å |
| 184 | A | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F44 V46 F63 S113 V114 A198 F199 | F44-A184 HydrophobicContact CD2-CB 4.44Å; F44-A184 HydrophobicContact CE2-CB 3.37Å; F44-A184 HydrophobicContact CZ-CB 3.76Å; V46-A184 HydrophobicContact CG2-CB 4.12Å; F63-A184 HydrophobicContact CZ-CB 4.42Å; S113-A184 CarbonylContact O-C 3.52Å; S113-A184 WeakPolarHBondContact O-CA 3.32Å; S113-A184 WeakPolarHBondContact O-CB 3.24Å; V114-A184 HydrophobicContact CG2-CB 4.25Å; A184-A198 WeakPolarHBondContact O-CA 3.5Å; A184-F199 HydrophobicContact CB-CB 4.16Å; A184-F199 PolarHBondContact O-N 3.05Å |
| 185 | F | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150.6 | -176.3 | -53 | -79.2 | 0 | 0 | 0 | 110.9 | V112 S113 V115 N183 L187 E197 A198 V202 L214 Y220 | V112-F185 CarbonylContact C-O 3.59Å; V112-F185 VanDerWaalsContact CA-O 3.28Å; V112-F185 WeakPolarHBondContact CA-O 3.23Å; S113-F185 PolarHBondContact N-O 3.19Å; S113-F185 PolarHBondContact O-N 2.73Å; V115-F185 HydrophobicContact CG2-CD2 4.38Å; V115-F185 HydrophobicContact CG2-CE2 3.99Å; N183-F185 HydrophobicContact CB-CE2 4.21Å; N183-F185 HydrophobicContact CB-CZ 4.09Å; N183-F185 VanDerWaalsContact ND2-CZ 3.29Å; N183-F185 WeakPolarHBondContact ND2-CZ 3.49Å; F185-L187 HydrophobicContact CB-CD1 3.86Å; F185-E197 WeakPolarHBondContact CA-O 3.25Å; F185-E197 WeakPolarHBondContact CB-O 3.29Å; F185-A198 HydrophobicContact CD1-CB 3.69Å; F185-A198 HydrophobicContact CE1-CB 3.8Å; F185-V202 HydrophobicContact CE1-CG1 3.9Å; F185-V202 HydrophobicContact CE1-CG2 4.42Å; F185-V202 HydrophobicContact CZ-CG1 3.92Å; F185-L214 HydrophobicContact CD1-CD2 3.72Å; F185-L214 HydrophobicContact CD2-CB 4.4Å; F185-L214 HydrophobicContact CD2-CD1 4.29Å; F185-L214 HydrophobicContact CD2-CD2 4.42Å; F185-L214 HydrophobicContact CE1-CD2 3.76Å; F185-L214 HydrophobicContact CE2-CB 3.96Å; F185-L214 HydrophobicContact CE2-CD2 4.45Å; F185-L214 HydrophobicContact CG-CD1 4.36Å; F185-L214 HydrophobicContact CG-CD2 4.06Å; F185-L214 HydrophobicContact CZ-CB 4.01Å; F185-L214 HydrophobicContact CZ-CD2 4.12Å; F185-Y220 HydrophobicContact CZ-CE1 4.21Å |
| 186 | A | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | V46 F61 V112 E197 | V46-A186 HydrophobicContact CG1-CB 4.14Å; F61-A186 HydrophobicContact CD2-CB 3.42Å; F61-A186 VanDerWaalsContact CD2-CB 3.42Å; F61-A186 HydrophobicContact CE2-CB 3.62Å; F61-A186 HydrophobicContact CG-CB 4.08Å; F61-A186 HydrophobicContact CZ-CB 4.41Å; V112-A186 HydrophobicContact CG1-CB 4.2Å; A186-E197 HydrophobicContact CB-CB 4.29Å; A186-E197 PolarHBondContact N-O 2.87Å; A186-E197 VanDerWaalsContact N-O 3.08Å; A186-E197 PolarHBondContact O-N 3.39Å |
| 187 | L | 97.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.6 | -178.8 | -62.4 | 86.4 | 0 | 0 | 0 | 108.9 | Y107 E110 C111 F185 H195 V196 L214 | Y107-L187 HydrophobicContact CD1-CD1 4.24Å; Y107-L187 HydrophobicContact CD1-CD2 4.01Å; E110-L187 CarbonylContact C-O 3.51Å; E110-L187 VanDerWaalsContact CA-O 3.32Å; E110-L187 WeakPolarHBondContact CA-O 3.47Å; C111-L187 PolarHBondContact N-O 3.48Å; C111-L187 PolarHBondContact O-N 3.08Å; F185-L187 HydrophobicContact CB-CD1 3.86Å; L187-H195 WeakPolarHBondContact CA-O 3.41Å; L187-V196 HydrophobicContact CD2-CG2 4.1Å; L187-V196 HydrophobicContact CG-CG1 4.33Å; L187-V196 HydrophobicContact CG-CG2 4.2Å; L187-L214 HydrophobicContact CD1-CD1 4.41Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å |
| 188 | H | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 170.9 | 179.7 | 61.4 | 84.6 | 0 | 0 | 0 | 109.9 | H58 F90 E110 R194 H195 E197 | H58-H188 AromaticContact CE1-NE2 3.83Å; H58-H188 AromaticContact NE2-CE1 3.59Å; H58-H188 AromaticContact NE2-NE2 3.26Å; H58-H188 PolarHBondContact NE2-NE2 3.23Å; F90-H188 HydrophobicContact CB-CB 4.13Å; F90-H188 AromaticContact CD1-ND1 3.9Å; F90-H188 HydrophobicContact CD2-CB 3.43Å; F90-H188 VanDerWaalsContact CD2-CB 3.43Å; F90-H188 AromaticContact CD2-CD2 3.78Å; F90-H188 AromaticContact CD2-CG 3.44Å; F90-H188 VanDerWaalsContact CD2-CG 3.44Å; F90-H188 AromaticContact CD2-ND1 3.93Å; F90-H188 AromaticContact CE1-CE1 3.74Å; F90-H188 AromaticContact CE1-ND1 3.86Å; F90-H188 HydrophobicContact CE2-CB 3.94Å; F90-H188 AromaticContact CE2-CD2 3.3Å; F90-H188 WeakPolarHBondContact CE2-CD2 3.36Å; F90-H188 AromaticContact CE2-CE1 3.9Å; F90-H188 AromaticContact CE2-CG 3.45Å; F90-H188 VanDerWaalsContact CE2-CG 3.45Å; F90-H188 AromaticContact CE2-ND1 3.87Å; F90-H188 AromaticContact CE2-NE2 3.61Å; F90-H188 HydrophobicContact CG-CB 3.83Å; F90-H188 AromaticContact CG-CG 3.87Å; F90-H188 AromaticContact CG-ND1 3.93Å; F90-H188 AromaticContact CZ-CD2 3.72Å; F90-H188 AromaticContact CZ-CE1 3.54Å; F90-H188 AromaticContact CZ-CG 3.89Å; F90-H188 AromaticContact CZ-ND1 3.84Å; F90-H188 AromaticContact CZ-NE2 3.49Å; F90-H188 WeakPolarHBondContact CZ-NE2 3.35Å; E110-H188 HydrophobicContact CG-CB 4.21Å; H188-R194 WeakPolarHBondContact O-CD 3.42Å; H188-H195 WeakPolarHBondContact CE1-CB 3.32Å; H188-H195 AromaticContact CE1-CD2 3.73Å; H188-H195 AromaticContact CE1-CG 3.43Å; H188-H195 VanDerWaalsContact CE1-CG 3.43Å; H188-H195 PolarHBondContact N-O 3.45Å; H188-H195 AromaticContact ND1-CD2 3.74Å; H188-H195 AromaticContact ND1-CG 3.8Å; H188-H195 PolarHBondContact O-N 2.84Å; H188-E197 IonicContact CD2-OE1 2.83Å; H188-E197 IonicContact CE1-OE1 3.25Å; H188-E197 IonicContact NE2-OE1 2.72Å; H188-E197 PolarHBondContact NE2-OE1 3.34Å |
| 189 | G | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | trans | 84.5 | 144 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D92 R194 | D92-G189 WeakPolarHBondContact O-CA 3.3Å; D92-G189 PolarHBondContact O-N 2.86Å; D92-G189 WeakPolarHBondContact OD2-CA 3.37Å; G189-R194 WeakPolarHBondContact O-CD 3.31Å; G189-R194 PolarHBondContact O-NH1 3.37Å | ||
| 190 | S | 94.1 | Very high | 95.9 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 26% | 0.259 | 20% | 0.199 | S | C | . | . | trans | -83.2 | 147.2 | 171.1 | -72 | 0 | 0 | 0 | 0 | 112.2 | D92 P93 R193 | D92-S190 VanDerWaalsContact CG-N 3.29Å; D92-S190 VanDerWaalsContact OD1-CB 3.23Å; D92-S190 WeakPolarHBondContact OD1-CB 3.26Å; D92-S190 PolarHBondContact OD1-N 2.81Å; D92-S190 VanDerWaalsContact OD1-N 3.15Å; D92-S190 PolarHBondContact OD1-OG 2.82Å; D92-S190 PolarHBondContact OD2-N 3.08Å; D92-S190 VanDerWaalsContact OD2-N 3.07Å; P93-S190 WeakPolarHBondContact CA-OG 3.5Å; P93-S190 WeakPolarHBondContact CB-OG 3.49Å; S190-R193 CarbonylContact O-C 3.38Å; S190-R193 VanDerWaalsContact O-C 3.26Å; S190-R193 WeakPolarHBondContact O-CA 3.39Å; S190-R193 PolarHBondContact O-N 3.42Å | ||
| 191 | P | 91.2 | Very high | 96 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 140.6 | 169.8 | -25.3 | 34.4 | 0 | 0 | 0 | 112.2 | ||
| 192 | P | 89.3 | Confident | 95.8 | Very high | 134 Ų | 134 | 34.9 Ų | 34.9 | 87% | 0.87 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.4 | 0.5 | 4.3 | 35.3 | -36.4 | 0 | 0 | 0 | 114.6 | R194 | P192-R194 VanDerWaalsContact C-N 3.29Å; P192-R194 PolarHBondContact O-N 2.82Å |
| 193 | R | 91.1 | Very high | 95.5 | Very high | 182 Ų | 182 | 35.5 Ų | 35.5 | 69% | 0.687 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -94.7 | 47.3 | -178.6 | -61.9 | -175.3 | -63.9 | -169.1 | 1.9 | 111.3 | S190 H195 | S190-R193 CarbonylContact O-C 3.38Å; S190-R193 VanDerWaalsContact O-C 3.26Å; S190-R193 WeakPolarHBondContact O-CA 3.39Å; S190-R193 PolarHBondContact O-N 3.42Å; R193-H195 PolarHBondContact O-CD2 3.43Å; R193-H195 PolarHBondContact O-N 3.26Å |
| 194 | R | 94.5 | Very high | 94.8 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 24% | 0.242 | 20% | 0.201 | C | C | . | . | trans | -77.2 | 120.7 | 176.2 | -175.1 | 65.5 | 171.6 | 177.4 | 2.3 | 109 | Y107 D108 Q109 H188 G189 P192 V196 | Y107-R194 PolarHBondContact O-NH2 3.25Å; D108-R194 PolarHBondContact O-NH1 2.8Å; Q109-R194 PolarHBondContact O-NH1 2.89Å; Q109-R194 PolarHBondContact O-NH2 3.28Å; H188-R194 WeakPolarHBondContact O-CD 3.42Å; G189-R194 WeakPolarHBondContact O-CD 3.31Å; G189-R194 PolarHBondContact O-NH1 3.37Å; P192-R194 VanDerWaalsContact C-N 3.29Å; P192-R194 PolarHBondContact O-N 2.82Å; R194-V196 HydrophobicContact CG-CG2 4.36Å | ||
| 195 | H | 95.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.6 | 174.3 | -62.6 | -99.8 | 0 | 0 | 0 | 109.3 | E57 L187 H188 R193 | E57-H195 IonicContact OE2-CE1 2.87Å; E57-H195 PolarHBondContact OE2-CE1 2.69Å; L187-H195 WeakPolarHBondContact CA-O 3.41Å; H188-H195 WeakPolarHBondContact CE1-CB 3.32Å; H188-H195 AromaticContact CE1-CD2 3.73Å; H188-H195 AromaticContact CE1-CG 3.43Å; H188-H195 VanDerWaalsContact CE1-CG 3.43Å; H188-H195 PolarHBondContact N-O 3.45Å; H188-H195 AromaticContact ND1-CD2 3.74Å; H188-H195 AromaticContact ND1-CG 3.8Å; H188-H195 PolarHBondContact O-N 2.84Å; R193-H195 PolarHBondContact O-CD2 3.43Å; R193-H195 PolarHBondContact O-N 3.26Å |
| 196 | V | 96.6 | Very high | 92.6 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 113.6 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 108 | W50 L187 R194 P212 L214 | W50-V196 HydrophobicContact CB-CG1 4.07Å; W50-V196 VanDerWaalsContact CD1-O 3.27Å; W50-V196 HydrophobicContact CG-CB 4.42Å; W50-V196 HydrophobicContact CG-CG1 4.42Å; W50-V196 PolarHBondContact N-O 3.02Å; L187-V196 HydrophobicContact CD2-CG2 4.1Å; L187-V196 HydrophobicContact CG-CG1 4.33Å; L187-V196 HydrophobicContact CG-CG2 4.2Å; R194-V196 HydrophobicContact CG-CG2 4.36Å; V196-P212 HydrophobicContact CB-CB 4.28Å; V196-P212 HydrophobicContact CB-CG 4.02Å; V196-P212 HydrophobicContact CG1-CB 3.91Å; V196-P212 HydrophobicContact CG1-CG 4.09Å; V196-P212 HydrophobicContact CG2-CB 4.48Å; V196-P212 HydrophobicContact CG2-CG 3.74Å; V196-L214 HydrophobicContact CG1-CD2 3.79Å |
| 197 | E | 97.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.6 | -177.7 | -61.8 | 168.9 | -151.5 | 0 | 0 | 109.8 | V46 K48 V55 H58 F185 A186 H188 | V46-E197 HydrophobicContact CG1-CB 3.51Å; K48-E197 CarbonylContact O-C 3.44Å; K48-E197 WeakPolarHBondContact O-CA 3.28Å; K48-E197 WeakPolarHBondContact O-CB 3.04Å; V55-E197 HydrophobicContact CG2-CB 4.41Å; V55-E197 HydrophobicContact CG2-CG 3.66Å; H58-E197 IonicContact CE1-OE1 2.63Å; H58-E197 PolarHBondContact CE1-OE1 2.86Å; H58-E197 IonicContact CE1-OE2 3.21Å; H58-E197 PolarHBondContact CE1-OE2 3.01Å; H58-E197 IonicContact NE2-OE1 3.9Å; H58-E197 PolarHBondContact NE2-OE1 3.42Å; F185-E197 WeakPolarHBondContact CA-O 3.25Å; F185-E197 WeakPolarHBondContact CB-O 3.29Å; A186-E197 HydrophobicContact CB-CB 4.29Å; A186-E197 PolarHBondContact N-O 2.87Å; A186-E197 VanDerWaalsContact N-O 3.08Å; A186-E197 PolarHBondContact O-N 3.39Å; H188-E197 IonicContact CD2-OE1 2.83Å; H188-E197 IonicContact CE1-OE1 3.25Å; H188-E197 IonicContact NE2-OE1 2.72Å; H188-E197 PolarHBondContact NE2-OE1 3.34Å |
| 198 | A | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | K48 A184 F185 Q200 | K48-A198 PolarHBondContact O-N 3.41Å; A184-A198 WeakPolarHBondContact O-CA 3.5Å; F185-A198 HydrophobicContact CD1-CB 3.69Å; F185-A198 HydrophobicContact CE1-CB 3.8Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; A198-Q200 WeakPolarHBondContact CB-O 3.26Å |
| 199 | F | 97.9 | Very high | 88.2 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 9% | 0.088 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -62 | -47.2 | 165.7 | 165.4 | -129.4 | 0 | 0 | 0 | 110.3 | F44 V45 V46 Y182 A184 K221 | F44-F199 HydrophobicContact CB-CD2 3.9Å; F44-F199 HydrophobicContact CB-CE1 4.45Å; F44-F199 HydrophobicContact CB-CE2 3.5Å; F44-F199 VanDerWaalsContact CB-CE2 3.5Å; F44-F199 HydrophobicContact CB-CZ 3.76Å; F44-F199 HydrophobicContact CD2-CB 4.09Å; F44-F199 HydrophobicContact CD2-CD1 4.19Å; F44-F199 AromaticContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CD2 3.88Å; F44-F199 HydrophobicContact CD2-CE2 4.3Å; F44-F199 AromaticContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CD2-CG 3.79Å; F44-F199 HydrophobicContact CE2-CB 4.37Å; F44-F199 HydrophobicContact CE2-CG 4.39Å; F44-F199 HydrophobicContact CG-CD1 4.46Å; F44-F199 HydrophobicContact CG-CD2 4.18Å; F44-F199 HydrophobicContact CG-CE1 4.39Å; F44-F199 HydrophobicContact CG-CE2 4.13Å; F44-F199 HydrophobicContact CG-CG 4.32Å; F44-F199 HydrophobicContact CG-CZ 4.18Å; V45-F199 WeakPolarHBondContact O-CD2 3.39Å; V46-F199 HydrophobicContact CG2-CB 4Å; Y182-F199 AromaticContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE1-CE1 3.95Å; Y182-F199 HydrophobicContact CE2-CD1 4.21Å; Y182-F199 AromaticContact CE2-CE1 3.79Å; Y182-F199 HydrophobicContact CE2-CE1 3.79Å; Y182-F199 AromaticContact CZ-CE1 3.42Å; Y182-F199 VanDerWaalsContact CZ-CE1 3.42Å; Y182-F199 WeakPolarHBondContact OH-CE1 3.39Å; Y182-F199 WeakPolarHBondContact OH-CZ 3.11Å; A184-F199 HydrophobicContact CB-CB 4.16Å; A184-F199 PolarHBondContact O-N 3.05Å; F199-K221 HydrophobicContact CE1-CB 3.96Å; F199-K221 HydrophobicContact CE1-CD 3.48Å; F199-K221 VanDerWaalsContact CE1-CD 3.48Å; F199-K221 HydrophobicContact CE1-CG 4.37Å; F199-K221 HydrophobicContact CE2-CD 4.36Å; F199-K221 HydrophobicContact CZ-CD 3.29Å |
| 200 | Q | 96.8 | Very high | 87.4 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -120.6 | 120.1 | 172.1 | -172.7 | 58.1 | 30.7 | 0 | 0 | 109.7 | N183 A198 F219 | N183-Q200 PolarHBondContact ND2-O 3.13Å; N183-Q200 WeakPolarHBondContact OD1-CB 3.5Å; N183-Q200 PolarHBondContact OD1-N 2.85Å; N183-Q200 PolarHBondContact OD1-O 3.12Å; A198-Q200 VanDerWaalsContact C-N 3.34Å; A198-Q200 WeakPolarHBondContact CB-O 3.26Å; Q200-F219 WeakPolarHBondContact CG-O 3.24Å |
| 201 | P | 95.5 | Very high | 86.9 | Confident | 17 Ų | 17 | 70 Ų | 70 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | trans | -56 | 143.8 | 179.1 | -27.8 | 37 | 0 | 0 | 0 | 112.4 | K48 W50 F219 | K48-P201 HydrophobicContact CB-CG 4.46Å; K48-P201 HydrophobicContact CD-CG 4.11Å; W50-P201 WeakPolarHBondContact O-CA 3.49Å; W50-P201 WeakPolarHBondContact O-CB 2.78Å; P201-F219 WeakPolarHBondContact O-CB 3.31Å | ||
| 202 | V | 93.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | trans | -111.7 | 19.3 | -177.5 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | W50 F185 R216 F219 Y220 | W50-V202 HydrophobicContact CB-CG2 4.13Å; W50-V202 PolarHBondContact O-N 2.86Å; F185-V202 HydrophobicContact CE1-CG1 3.9Å; F185-V202 HydrophobicContact CE1-CG2 4.42Å; F185-V202 HydrophobicContact CZ-CG1 3.92Å; V202-R216 HydrophobicContact CB-CB 4.46Å; V202-R216 WeakPolarHBondContact O-CD 3.15Å; V202-R216 PolarHBondContact O-NH1 3.22Å; V202-F219 HydrophobicContact CG1-CB 4.42Å; V202-Y220 HydrophobicContact CG1-CE1 4.27Å | ||
| 203 | S | 91.2 | Very high | 86.8 | Confident | 17 Ų | 17 | 64.7 Ų | 64.7 | 12% | 0.119 | 35% | 0.347 | C | S | . | . | trans | -109.8 | 143.9 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | W50 G205 D209 | W50-S203 PolarHBondContact O-N 2.9Å; S203-G205 PolarHBondContact OG-N 2.97Å; S203-G205 VanDerWaalsContact OG-N 3.13Å; S203-D209 VanDerWaalsContact CA-OD2 3.27Å; S203-D209 WeakPolarHBondContact CA-OD2 3.38Å; S203-D209 WeakPolarHBondContact CB-OD2 3.16Å; S203-D209 PolarHBondContact OG-OD2 3.04Å | ||
| 204 | D | 82.2 | Confident | 86.9 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | trans | -96.5 | 6.7 | 168.1 | 56.2 | 14.2 | 0 | 0 | 0 | 112.7 | R206 R216 F219 | D204-R206 HydrophobicContact CB-CG 4.47Å; D204-R206 PolarHBondContact O-N 3.04Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.11Å; D204-R206 PolarHBondContact OD1-N 2.81Å; D204-R206 VanDerWaalsContact OD2-CD 3.25Å; D204-R206 WeakPolarHBondContact OD2-CD 3.4Å; D204-R206 IonicContact OD2-CZ 3.38Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 2.79Å; D204-R206 IonicContact OD2-NH1 3.52Å; D204-R216 IonicContact OD2-NH2 3.73Å; D204-R216 PolarHBondContact OD2-NH2 3.17Å; D204-F219 HydrophobicContact CB-CE1 4.28Å; D204-F219 HydrophobicContact CB-CZ 4Å | ||
| 205 | G | 77.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 56 Ų | 56 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | trans | 69.1 | 10.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | S203 | S203-G205 PolarHBondContact OG-N 2.97Å; S203-G205 VanDerWaalsContact OG-N 3.13Å | ||
| 206 | R | 72.9 | Confident | 86.4 | Confident | 182 Ų | 182 | 54.4 Ų | 54.4 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | trans | -68.5 | 143.1 | 178.4 | -69.8 | 177.2 | -175.9 | 167.8 | 2.5 | 111.1 | D204 G208 D209 | D204-R206 HydrophobicContact CB-CG 4.47Å; D204-R206 PolarHBondContact O-N 3.04Å; D204-R206 WeakPolarHBondContact OD1-CB 3.28Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.11Å; D204-R206 PolarHBondContact OD1-N 2.81Å; D204-R206 VanDerWaalsContact OD2-CD 3.25Å; D204-R206 WeakPolarHBondContact OD2-CD 3.4Å; D204-R206 IonicContact OD2-CZ 3.38Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 2.79Å; D204-R206 IonicContact OD2-NH1 3.52Å; R206-G208 PolarHBondContact O-N 2.94Å; R206-D209 PolarHBondContact O-N 3.22Å; R206-D209 VanDerWaalsContact O-N 3.17Å | ||
| 207 | I | 62.2 | Low | 86.2 | Confident | 186 Ų | 186 | 55 Ų | 55 | 95% | 0.954 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 106.4 | 171.5 | -58.1 | 169.4 | 0 | 0 | 0 | 107.5 | ||
| 208 | G | 66.7 | Low | 85.9 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 63% | 0.629 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.4 | -15.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R206 T210 | R206-G208 PolarHBondContact O-N 2.94Å; G208-T210 VanDerWaalsContact C-N 3.27Å; G208-T210 PolarHBondContact O-N 2.86Å |
| 209 | D | 72.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | trans | -72.7 | 83.3 | 172.8 | -159.6 | -3 | 0 | 0 | 0 | 108.4 | W50 R51 S203 R206 R216 | W50-D209 HydrophobicContact CH2-CB 4.48Å; W50-D209 WeakPolarHBondContact CH2-OD1 3.13Å; W50-D209 HydrophobicContact CZ3-CB 4.46Å; W50-D209 VanDerWaalsContact CZ3-CG 3.45Å; W50-D209 VanDerWaalsContact CZ3-OD1 3.23Å; W50-D209 WeakPolarHBondContact CZ3-OD1 3.47Å; W50-D209 WeakPolarHBondContact CZ3-OD2 3.26Å; R51-D209 PolarHBondContact NH1-O 2.89Å; R51-D209 PolarHBondContact NH2-O 2.77Å; S203-D209 VanDerWaalsContact CA-OD2 3.27Å; S203-D209 WeakPolarHBondContact CA-OD2 3.38Å; S203-D209 WeakPolarHBondContact CB-OD2 3.16Å; S203-D209 PolarHBondContact OG-OD2 3.04Å; R206-D209 PolarHBondContact O-N 3.22Å; R206-D209 VanDerWaalsContact O-N 3.17Å; D209-R216 IonicContact OD2-NH1 3.8Å | ||
| 210 | T | 78.1 | Confident | 85.7 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | trans | -95.6 | -22.9 | -173.5 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | G208 | G208-T210 VanDerWaalsContact C-N 3.27Å; G208-T210 PolarHBondContact O-N 2.86Å | ||
| 211 | T | 83.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -131.5 | 139.4 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | E213 | T211-E213 PolarHBondContact O-N 3.42Š|
| 212 | P | 88.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | trans | -65 | 122.9 | 179.1 | 24.1 | -30.5 | 0 | 0 | 0 | 111.5 | W50 V196 L214 | W50-P212 HydrophobicContact CB-CB 4.13Å; W50-P212 HydrophobicContact CD2-CB 3.72Å; W50-P212 HydrophobicContact CE3-CB 4.16Å; W50-P212 HydrophobicContact CG-CB 3.73Å; V196-P212 HydrophobicContact CB-CB 4.28Å; V196-P212 HydrophobicContact CB-CG 4.02Å; V196-P212 HydrophobicContact CG1-CB 3.91Å; V196-P212 HydrophobicContact CG1-CG 4.09Å; V196-P212 HydrophobicContact CG2-CB 4.48Å; V196-P212 HydrophobicContact CG2-CG 3.74Å; P212-L214 HydrophobicContact CB-CD2 4.19Å | ||
| 213 | E | 90.2 | Very high | 85.8 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | trans | -103.1 | 95.1 | 169.1 | -172.8 | -178.5 | -159.1 | 0 | 0 | 109.4 | R144 T211 H215 R216 | R144-E213 IonicContact CZ-OE1 3.63Å; R144-E213 IonicContact NH1-OE1 3.35Å; R144-E213 PolarHBondContact NH1-OE1 3.25Å; R144-E213 IonicContact NH2-OE1 3.95Å; R144-E213 PolarHBondContact NH2-OE1 3.05Å; R144-E213 IonicContact NH2-OE2 3.21Å; T211-E213 PolarHBondContact O-N 3.42Å; E213-H215 VanDerWaalsContact C-N 3.28Å; E213-H215 PolarHBondContact O-N 2.92Å; E213-R216 HydrophobicContact CB-CG 3.99Å; E213-R216 HydrophobicContact CG-CG 3.86Å; E213-R216 WeakPolarHBondContact O-CG 3.31Å; E213-R216 PolarHBondContact O-N 3.27Å; E213-R216 WeakPolarHBondContact OE2-CD 3.4Å; E213-R216 WeakPolarHBondContact OE2-CG 3.07Å | ||
| 214 | L | 92.5 | Very high | 85.8 | Confident | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.9 | -172.2 | -54.6 | -173.1 | 0 | 0 | 0 | 112.7 | Y107 F185 L187 V196 P212 R216 Y220 | Y107-L214 HydrophobicContact CD1-CD1 3.95Å; Y107-L214 HydrophobicContact CE1-CD1 3.88Å; F185-L214 HydrophobicContact CD1-CD2 3.72Å; F185-L214 HydrophobicContact CD2-CB 4.4Å; F185-L214 HydrophobicContact CD2-CD1 4.29Å; F185-L214 HydrophobicContact CD2-CD2 4.42Å; F185-L214 HydrophobicContact CE1-CD2 3.76Å; F185-L214 HydrophobicContact CE2-CB 3.96Å; F185-L214 HydrophobicContact CE2-CD2 4.45Å; F185-L214 HydrophobicContact CG-CD1 4.36Å; F185-L214 HydrophobicContact CG-CD2 4.06Å; F185-L214 HydrophobicContact CZ-CB 4.01Å; F185-L214 HydrophobicContact CZ-CD2 4.12Å; L187-L214 HydrophobicContact CD1-CD1 4.41Å; L187-L214 HydrophobicContact CD2-CD1 4.4Å; V196-L214 HydrophobicContact CG1-CD2 3.79Å; P212-L214 HydrophobicContact CB-CD2 4.19Å; L214-R216 PolarHBondContact O-N 3.19Å; L214-Y220 WeakPolarHBondContact O-CE1 3.43Å; L214-Y220 PolarHBondContact O-OH 2.91Å |
| 215 | H | 90.7 | Very high | 86.2 | Confident | 37 Ų | 37 | 70 Ų | 70 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 22.6 | -175.3 | -57.5 | 159.7 | 0 | 0 | 0 | 114.8 | Y123 D125 F139 R144 E213 I217 | Y123-H215 HydrophobicContact CE2-CB 4.35Å; Y123-H215 AromaticContact CE2-CD2 3.93Å; Y123-H215 AromaticContact CE2-CG 3.94Å; D125-H215 IonicContact OD2-CD2 3.82Å; D125-H215 IonicContact OD2-CE1 3.43Å; D125-H215 IonicContact OD2-NE2 2.84Å; D125-H215 PolarHBondContact OD2-NE2 3.32Å; F139-H215 AromaticContact CZ-CE1 3.57Å; R144-H215 PolarHBondContact NE-O 3.49Å; R144-H215 PolarHBondContact NH2-O 3.47Å; E213-H215 VanDerWaalsContact C-N 3.28Å; E213-H215 PolarHBondContact O-N 2.92Å; H215-I217 PolarHBondContact O-N 2.75Å |
| 216 | R | 90.8 | Very high | 86.7 | Confident | 28 Ų | 28 | 70.8 Ų | 70.8 | 11% | 0.106 | 38% | 0.377 | C | S | . | . | trans | -78.8 | 70.4 | 168.7 | -65.5 | -178 | 69.5 | -179 | 11.8 | 110.8 | V202 D204 D209 E213 L214 E218 F219 | V202-R216 HydrophobicContact CB-CB 4.46Å; V202-R216 WeakPolarHBondContact O-CD 3.15Å; V202-R216 PolarHBondContact O-NH1 3.22Å; D204-R216 IonicContact OD2-NH2 3.73Å; D204-R216 PolarHBondContact OD2-NH2 3.17Å; D209-R216 IonicContact OD2-NH1 3.8Å; E213-R216 HydrophobicContact CB-CG 3.99Å; E213-R216 HydrophobicContact CG-CG 3.86Å; E213-R216 WeakPolarHBondContact O-CG 3.31Å; E213-R216 PolarHBondContact O-N 3.27Å; E213-R216 WeakPolarHBondContact OE2-CD 3.4Å; E213-R216 WeakPolarHBondContact OE2-CG 3.07Å; L214-R216 PolarHBondContact O-N 3.19Å; R216-E218 WeakPolarHBondContact CA-OE2 3.26Å; R216-E218 IonicContact NE-OE1 2.7Å; R216-E218 PolarHBondContact NE-OE1 3.37Å; R216-E218 PolarHBondContact O-N 3.33Å; R216-F219 HydrophobicContact CB-CD2 3.75Å; R216-F219 HydrophobicContact CB-CE2 4.22Å; R216-F219 VanDerWaalsContact NE-CE2 3.26Å; R216-F219 PolarHBondContact O-N 2.71Å | ||
| 217 | I | 91.8 | Very high | 87.4 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.138 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -58.9 | -17.2 | -174.2 | 65.5 | 172.1 | 0 | 0 | 0 | 114 | A117 Y123 R181 H215 F219 Y220 | A117-I217 HydrophobicContact CB-CB 4.34Å; A117-I217 HydrophobicContact CB-CG2 4.2Å; Y123-I217 HydrophobicContact CD1-CG2 4.33Å; Y123-I217 HydrophobicContact CG-CG2 4.35Å; R181-I217 WeakPolarHBondContact CD-O 3.41Å; H215-I217 PolarHBondContact O-N 2.75Å; I217-F219 PolarHBondContact O-N 3.28Å; I217-Y220 HydrophobicContact CB-CD2 4.27Å; I217-Y220 HydrophobicContact CB-CE2 4.29Å; I217-Y220 HydrophobicContact CG2-CD2 4.28Å; I217-Y220 HydrophobicContact CG2-CE2 3.82Å; I217-Y220 WeakPolarHBondContact O-CB 3.47Å; I217-Y220 PolarHBondContact O-N 2.87Å |
| 218 | E | 91.1 | Very high | 88.7 | Confident | 111 Ų | 111 | 58.4 Ų | 58.4 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -65.5 | -24.2 | 174.7 | 67.5 | -84.2 | -162.8 | 0 | 0 | 113.4 | R216 | R216-E218 WeakPolarHBondContact CA-OE2 3.26Å; R216-E218 IonicContact NE-OE1 2.7Å; R216-E218 PolarHBondContact NE-OE1 3.37Å; R216-E218 PolarHBondContact O-N 3.33Å |
| 219 | F | 94 | Very high | 89.6 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 23% | 0.228 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -86.2 | -11.9 | 176.9 | -68.7 | -88.8 | 0 | 0 | 0 | 113.5 | Q200 P201 V202 D204 R216 I217 | Q200-F219 WeakPolarHBondContact CG-O 3.24Å; P201-F219 WeakPolarHBondContact O-CB 3.31Å; V202-F219 HydrophobicContact CG1-CB 4.42Å; D204-F219 HydrophobicContact CB-CE1 4.28Å; D204-F219 HydrophobicContact CB-CZ 4Å; R216-F219 HydrophobicContact CB-CD2 3.75Å; R216-F219 HydrophobicContact CB-CE2 4.22Å; R216-F219 VanDerWaalsContact NE-CE2 3.26Å; R216-F219 PolarHBondContact O-N 2.71Å; I217-F219 PolarHBondContact O-N 3.28Å |
| 220 | Y | 96.2 | Very high | 89.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 146.7 | -171.8 | -73 | 14.7 | 0 | 0 | 0 | 112 | V115 A117 R181 Y182 N183 F185 V202 L214 I217 | V115-Y220 HydrophobicContact CB-CE2 3.66Å; V115-Y220 HydrophobicContact CG1-CE2 3.61Å; A117-Y220 HydrophobicContact CB-CD2 4.44Å; R181-Y220 HydrophobicContact CG-CD2 4.25Å; Y182-Y220 WeakPolarHBondContact O-CB 3.43Å; N183-Y220 HydrophobicContact CB-CD1 3.55Å; N183-Y220 HydrophobicContact CB-CD2 3.92Å; N183-Y220 HydrophobicContact CB-CE1 3.64Å; N183-Y220 HydrophobicContact CB-CE2 4Å; N183-Y220 HydrophobicContact CB-CG 3.7Å; F185-Y220 HydrophobicContact CZ-CE1 4.21Å; V202-Y220 HydrophobicContact CG1-CE1 4.27Å; L214-Y220 WeakPolarHBondContact O-CE1 3.43Å; L214-Y220 PolarHBondContact O-OH 2.91Å; I217-Y220 HydrophobicContact CB-CD2 4.27Å; I217-Y220 HydrophobicContact CB-CE2 4.29Å; I217-Y220 HydrophobicContact CG2-CD2 4.28Å; I217-Y220 HydrophobicContact CG2-CE2 3.82Å; I217-Y220 WeakPolarHBondContact O-CB 3.47Å; I217-Y220 PolarHBondContact O-N 2.87Å |
| 221 | K | 96.8 | Very high | 89.7 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 141.8 | 179.6 | -167.5 | -178.4 | -177.7 | 178 | 0 | 109.9 | R181 Y182 F199 | R181-K221 CarbonylContact C-O 3.45Å; R181-K221 WeakPolarHBondContact CA-O 3.33Å; R181-K221 WeakPolarHBondContact CB-O 3.42Å; Y182-K221 HydrophobicContact CD1-CB 4.43Å; Y182-K221 WeakPolarHBondContact CD1-O 3.38Å; Y182-K221 HydrophobicContact CE1-CB 4.15Å; Y182-K221 HydrophobicContact CE1-CD 4.35Å; Y182-K221 HydrophobicContact CE1-CG 4.46Å; Y182-K221 PolarHBondContact N-O 2.82Å; Y182-K221 PolarHBondContact O-N 2.88Å; F199-K221 HydrophobicContact CE1-CB 3.96Å; F199-K221 HydrophobicContact CE1-CD 3.48Å; F199-K221 VanDerWaalsContact CE1-CD 3.48Å; F199-K221 HydrophobicContact CE1-CG 4.37Å; F199-K221 HydrophobicContact CE2-CD 4.36Å; F199-K221 HydrophobicContact CZ-CD 3.29Å |
| 222 | A | 96.9 | Very high | 89.1 | Confident | 80 Ų | 80 | 52.7 Ų | 52.7 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 140.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T180 | T180-A222 WeakPolarHBondContact O-CA 3.2Å |
| 223 | I | 94.8 | Very high | 88.5 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | trans | -115 | 137.4 | 177.2 | -161.7 | 170.4 | 0 | 0 | 0 | 111 | F116 V179 T180 Y182 I225 L228 | F116-I223 HydrophobicContact CD1-CD1 4.21Å; F116-I223 HydrophobicContact CE1-CD1 3.9Å; V179-I223 HydrophobicContact CG1-CG2 3.96Å; T180-I223 PolarHBondContact O-N 3.25Å; Y182-I223 HydrophobicContact CD1-CB 3.55Å; Y182-I223 HydrophobicContact CD1-CD1 3.83Å; Y182-I223 HydrophobicContact CD1-CG1 3.85Å; Y182-I223 HydrophobicContact CD2-CD1 4.22Å; Y182-I223 HydrophobicContact CE1-CB 3.92Å; Y182-I223 HydrophobicContact CE1-CD1 4.2Å; Y182-I223 HydrophobicContact CE1-CG1 3.95Å; Y182-I223 HydrophobicContact CG-CB 4.29Å; Y182-I223 HydrophobicContact CG-CD1 3.81Å; Y182-I223 HydrophobicContact CG-CG1 4.35Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 HydrophobicContact CD1-CD1 4.21Å; I223-I225 HydrophobicContact CG2-CB 4.18Å; I223-I225 HydrophobicContact CG2-CD1 4.43Å; I223-I225 PolarHBondContact O-N 2.83Å; I223-L228 HydrophobicContact CD1-CD1 3.66Å | ||
| 224 | Q | 91.7 | Very high | 87.8 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | trans | -86.2 | 81.9 | 163.6 | -69.8 | -173.7 | -14.7 | 0 | 0 | 107.4 | D226 R227 | Q224-D226 WeakPolarHBondContact CA-OD1 3.39Å; Q224-D226 PolarHBondContact O-N 2.9Å; Q224-R227 HydrophobicContact CB-CG 4.07Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.89Å | ||
| 225 | I | 91.2 | Very high | 86.8 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63 | -25.6 | -172.6 | -166 | 65 | 0 | 0 | 0 | 112.6 | V179 I223 R227 L228 I229 N234 | V179-I225 HydrophobicContact CB-CD1 3.99Å; V179-I225 HydrophobicContact CB-CG1 4.07Å; V179-I225 HydrophobicContact CG1-CD1 4.08Å; V179-I225 HydrophobicContact CG2-CD1 4.47Å; I223-I225 VanDerWaalsContact C-N 3.33Å; I223-I225 HydrophobicContact CD1-CD1 4.21Å; I223-I225 HydrophobicContact CG2-CB 4.18Å; I223-I225 HydrophobicContact CG2-CD1 4.43Å; I223-I225 PolarHBondContact O-N 2.83Å; I225-R227 PolarHBondContact O-N 2.79Å; I225-R227 VanDerWaalsContact O-N 3.14Å; I225-L228 HydrophobicContact CD1-CB 4.47Å; I225-L228 CarbonylContact O-C 3.47Å; I225-L228 PolarHBondContact O-N 2.82Å; I225-I229 HydrophobicContact CD1-CD1 3.94Å; I225-I229 HydrophobicContact CD1-CG1 4.31Å; I225-I229 HydrophobicContact CG1-CB 4.34Å; I225-I229 HydrophobicContact CG1-CD1 4.1Å; I225-I229 HydrophobicContact CG1-CG1 4.38Å; I225-I229 PolarHBondContact O-N 2.84Å; I225-N234 WeakPolarHBondContact CG2-ND2 3.45Å |
| 226 | D | 86.7 | Confident | 85.7 | Confident | 80 Ų | 80 | 56.8 Ų | 56.8 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.2 | -16.1 | 172.9 | 56.7 | -65 | 0 | 0 | 0 | 113.2 | L39 Q224 | L39-D226 WeakPolarHBondContact CD2-O 3.32Å; Q224-D226 WeakPolarHBondContact CA-OD1 3.39Å; Q224-D226 PolarHBondContact O-N 2.9Å |
| 227 | R | 89.2 | Confident | 84.4 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -81 | -17.7 | 170 | -61.7 | -176.9 | 176.5 | -165 | -0.7 | 114.1 | G41 Q224 I225 | G41-R227 PolarHBondContact N-O 2.84Å; Q224-R227 HydrophobicContact CB-CG 4.07Å; Q224-R227 WeakPolarHBondContact O-CB 3.43Å; Q224-R227 PolarHBondContact O-N 2.89Å; I225-R227 PolarHBondContact O-N 2.79Å; I225-R227 VanDerWaalsContact O-N 3.14Å |
| 228 | L | 88.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -30.6 | -174.5 | -66.8 | -177.3 | 0 | 0 | 0 | 113.5 | N42 L65 W67 F116 I223 I225 | N42-L228 HydrophobicContact CB-CD1 4.22Å; N42-L228 HydrophobicContact CB-CD2 3.84Å; N42-L228 HydrophobicContact CB-CG 4.18Å; L65-L228 HydrophobicContact CB-CD1 4.19Å; L65-L228 HydrophobicContact CB-CD2 3.57Å; L65-L228 HydrophobicContact CD2-CD1 3.94Å; L65-L228 VanDerWaalsContact O-CD2 3.22Å; L65-L228 WeakPolarHBondContact O-CD2 3.2Å; W67-L228 WeakPolarHBondContact CB-O 3.49Å; F116-L228 HydrophobicContact CE1-CD1 4.43Å; I223-L228 HydrophobicContact CD1-CD1 3.66Å; I225-L228 HydrophobicContact CD1-CB 4.47Å; I225-L228 CarbonylContact O-C 3.47Å; I225-L228 PolarHBondContact O-N 2.82Å |
| 229 | I | 85.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -131.6 | 122 | -177.1 | -62.4 | 178.5 | 0 | 0 | 0 | 107 | V81 L172 F175 I225 F233 N234 | V81-I229 HydrophobicContact CG2-CD1 4.3Å; V81-I229 HydrophobicContact CG2-CG1 3.87Å; L172-I229 HydrophobicContact CD1-CD1 3.96Å; L172-I229 HydrophobicContact CD1-CG1 4.36Å; L172-I229 HydrophobicContact CD1-CG2 3.71Å; F175-I229 HydrophobicContact CD1-CD1 4.04Å; F175-I229 HydrophobicContact CD2-CD1 4.15Å; F175-I229 HydrophobicContact CE1-CD1 4.26Å; F175-I229 HydrophobicContact CE2-CD1 4.38Å; F175-I229 HydrophobicContact CG-CD1 3.97Å; F175-I229 HydrophobicContact CZ-CD1 4.43Å; I225-I229 HydrophobicContact CD1-CD1 3.94Å; I225-I229 HydrophobicContact CD1-CG1 4.31Å; I225-I229 HydrophobicContact CG1-CB 4.34Å; I225-I229 HydrophobicContact CG1-CD1 4.1Å; I225-I229 HydrophobicContact CG1-CG1 4.38Å; I225-I229 PolarHBondContact O-N 2.84Å; I229-F233 HydrophobicContact CG2-CB 3.56Å; I229-N234 HydrophobicContact CG2-CB 4.26Å |
| 230 | P | 79.7 | Confident | 79.6 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 8% | 0.078 | 32% | 0.316 | C | S | . | . | trans | -59.8 | 151.9 | -179.2 | -8.2 | 12.9 | 0 | 0 | 0 | 112.4 | L35 L39 W67 F233 | L35-P230 HydrophobicContact CD2-CB 3.94Å; L39-P230 HydrophobicContact CD1-CG 3.95Å; W67-P230 VanDerWaalsContact CD2-CD 3.49Å; W67-P230 HydrophobicContact CD2-CG 3.96Å; W67-P230 HydrophobicContact CG-CG 4.34Å; W67-P230 HydrophobicContact CH2-CG 4.36Å; W67-P230 HydrophobicContact CZ2-CG 3.8Å; P230-F233 HydrophobicContact CB-CD2 3.88Å; P230-F233 HydrophobicContact CB-CE2 4.3Å; P230-F233 HydrophobicContact CG-CD2 3.93Å; P230-F233 HydrophobicContact CG-CE2 4.29Å; P230-F233 WeakPolarHBondContact O-CB 3.5Å; P230-F233 PolarHBondContact O-N 2.99Å; P230-F233 VanDerWaalsContact O-N 3.13Å | ||
| 231 | D | 72.7 | Confident | 77.2 | Confident | 115 Ų | 115 | 60.8 Ų | 60.8 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 140.9 | 179.4 | -68.3 | -25.2 | 0 | 0 | 0 | 112.5 | L35 F233 | L35-D231 HydrophobicContact CD2-CB 3.96Å; D231-F233 VanDerWaalsContact C-N 3.26Å; D231-F233 PolarHBondContact O-N 2.88Å |
| 232 | G | 71.1 | Confident | 74.8 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -19.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | D235 | G232-D235 WeakPolarHBondContact CA-OD2 3.29Š|
| 233 | F | 75.3 | Confident | 72.1 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -85.3 | -19 | 176.6 | -70.8 | -69.5 | 0 | 0 | 0 | 113.8 | L172 I229 P230 D231 | L172-F233 HydrophobicContact CD1-CB 4.16Å; L172-F233 HydrophobicContact CD2-CB 3.8Å; L172-F233 HydrophobicContact CD2-CD1 3.55Å; L172-F233 HydrophobicContact CD2-CE1 4.42Å; L172-F233 HydrophobicContact CD2-CG 3.9Å; I229-F233 HydrophobicContact CG2-CB 3.56Å; P230-F233 HydrophobicContact CB-CD2 3.88Å; P230-F233 HydrophobicContact CB-CE2 4.3Å; P230-F233 HydrophobicContact CG-CD2 3.93Å; P230-F233 HydrophobicContact CG-CE2 4.29Å; P230-F233 WeakPolarHBondContact O-CB 3.5Å; P230-F233 PolarHBondContact O-N 2.99Å; P230-F233 VanDerWaalsContact O-N 3.13Å; D231-F233 VanDerWaalsContact C-N 3.26Å; D231-F233 PolarHBondContact O-N 2.88Å |
| 234 | N | 77.4 | Confident | 69.5 | Low | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.118 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -89.2 | -10.7 | 176.7 | -172.5 | 46.7 | 0 | 0 | 0 | 113.1 | A177 A178 V179 I225 I229 H236 | A177-N234 CarbonylContact C-O 3.56Å; A177-N234 WeakPolarHBondContact CA-O 3.47Å; A178-N234 WeakPolarHBondContact CA-ND2 3.23Å; A178-N234 PolarHBondContact N-O 3.01Å; A178-N234 PolarHBondContact N-OD1 2.82Å; V179-N234 PolarHBondContact N-ND2 3.07Å; V179-N234 PolarHBondContact N-OD1 2.81Å; I225-N234 WeakPolarHBondContact CG2-ND2 3.45Å; I229-N234 HydrophobicContact CG2-CB 4.26Å; N234-H236 VanDerWaalsContact C-N 3.34Å; N234-H236 PolarHBondContact O-N 3.24Å |
| 235 | D | 70.5 | Confident | 66.9 | Low | 104 Ų | 104 | 66.5 Ų | 66.5 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75 | -24.6 | -172 | -64.6 | -25 | 0 | 0 | 0 | 113.4 | G232 | G232-D235 WeakPolarHBondContact CA-OD2 3.29Š|
| 236 | H | 66.9 | Low | 64.4 | Low | 105 Ų | 105 | 70.3 Ų | 70.3 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -129.9 | 128.2 | -174.6 | -58.4 | -62.5 | 0 | 0 | 0 | 110.5 | L25 N234 | L25-H236 VanDerWaalsContact CD1-CD2 3.49Å; L25-H236 WeakPolarHBondContact CD1-CD2 3.3Å; N234-H236 VanDerWaalsContact C-N 3.34Å; N234-H236 PolarHBondContact O-N 3.24Å |
| 237 | S | 64.8 | Low | 62.1 | Low | 36 Ų | 36 | 72.7 Ų | 72.7 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | trans | -76.9 | 140.3 | 169.9 | 63.5 | 0 | 0 | 0 | 0 | 109.2 | W239 | S237-W239 VanDerWaalsContact C-N 3.26Š| ||
| 238 | L | 60 | Low | 59.7 | Low | 78 Ų | 78 | 70.1 Ų | 70.1 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | trans | -91.4 | 9.5 | 172.7 | -57.4 | 179 | 0 | 0 | 0 | 112.1 | A173 T240 A241 M242 | A173-L238 HydrophobicContact CB-CB 3.8Å; A173-L238 HydrophobicContact CB-CD1 3.83Å; A173-L238 HydrophobicContact CB-CG 4.4Å; L238-T240 PolarHBondContact O-N 3.37Å; L238-A241 WeakPolarHBondContact O-CA 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 2.86Å; L238-M242 WeakPolarHBondContact O-CG 3.38Å; L238-M242 PolarHBondContact O-N 2.87Å | ||
| 239 | W | 65.2 | Low | 57.7 | Low | 26 Ų | 26 | 73.3 Ų | 73.3 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -42 | -177.8 | -67.4 | -2.4 | 0 | 0 | 0 | 112.7 | Q122 M138 F139 K148 Y174 F175 P176 S237 | Q122-W239 HydrophobicContact CB-CH2 3.55Å; Q122-W239 HydrophobicContact CB-CZ3 3.82Å; Q122-W239 HydrophobicContact CG-CH2 4.02Å; Q122-W239 HydrophobicContact CG-CZ3 3.74Å; M138-W239 HydrophobicContact CB-CZ2 4.46Å; M138-W239 HydrophobicContact CG-CZ2 4.45Å; M138-W239 HydrophobicContact SD-CG 4.38Å; F139-W239 WeakPolarHBondContact O-CH2 3.5Å; K148-W239 PolarHBondContact NZ-O 2.61Å; Y174-W239 PolarHBondContact O-NE1 2.87Å; F175-W239 PolarHBondContact O-NE1 3.02Å; P176-W239 HydrophobicContact CB-CH2 3.81Å; P176-W239 HydrophobicContact CB-CZ2 3.47Å; P176-W239 VanDerWaalsContact CB-CZ2 3.47Å; P176-W239 HydrophobicContact CG-CZ2 4.06Å; S237-W239 VanDerWaalsContact C-N 3.26Å |
| 240 | T | 49.5 | Very low | 56.3 | Low | 117 Ų | 117 | 76.8 Ų | 76.8 | 72% | 0.718 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.3 | 177.2 | -44.8 | 0 | 0 | 0 | 0 | 112.7 | L238 S243 | L238-T240 PolarHBondContact O-N 3.37Å; T240-S243 PolarHBondContact O-OG 2.99Å; T240-S243 VanDerWaalsContact O-OG 3.11Å |
| 241 | A | 45.9 | Very low | 55.6 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 48% | 0.479 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -77.1 | -30 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L238 S243 H244 | L238-A241 WeakPolarHBondContact O-CA 3.48Å; L238-A241 WeakPolarHBondContact O-CB 3.38Å; L238-A241 PolarHBondContact O-N 2.86Å; A241-S243 PolarHBondContact O-N 2.86Å; A241-H244 PolarHBondContact O-N 2.87Å |
| 242 | M | 47 | Very low | 55.6 | Low | 36 Ų | 36 | 78 Ų | 78 | 18% | 0.177 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -70.3 | -7.9 | -178.6 | -76.1 | -178.1 | 64 | 0 | 0 | 114.8 | M138 K148 L151 A173 Y174 L238 H244 | M138-M242 HydrophobicContact CE-CE 4.12Å; M138-M242 HydrophobicContact CE-SD 4.04Å; K148-M242 PolarHBondContact NZ-O 2.87Å; L151-M242 HydrophobicContact CD2-CE 3.58Å; A173-M242 VanDerWaalsContact C-SD 3.55Å; A173-M242 HydrophobicContact CB-CG 3.79Å; A173-M242 HydrophobicContact CB-SD 3.52Å; A173-M242 VanDerWaalsContact CB-SD 3.52Å; Y174-M242 HydrophobicContact CD1-CE 3.35Å; Y174-M242 HydrophobicContact CD1-SD 3.68Å; Y174-M242 HydrophobicContact CE1-CE 3.16Å; Y174-M242 HydrophobicContact CE1-SD 4.05Å; L238-M242 WeakPolarHBondContact O-CG 3.38Å; L238-M242 PolarHBondContact O-N 2.87Å; M242-H244 PolarHBondContact O-N 2.83Å |
| 243 | S | 41.3 | Very low | 55.9 | Low | 79 Ų | 79 | 76.2 Ų | 76.2 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -73.2 | -6.8 | 172.9 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | T240 A241 | T240-S243 PolarHBondContact O-OG 2.99Å; T240-S243 VanDerWaalsContact O-OG 3.11Å; A241-S243 PolarHBondContact O-N 2.86Å |
| 244 | H | 39.3 | Very low | 56.1 | Low | 164 Ų | 164 | 79 Ų | 79 | 76% | 0.759 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -122.8 | 3.8 | -170.9 | -70 | -96.2 | 0 | 0 | 0 | 116.2 | A241 M242 | A241-H244 PolarHBondContact O-N 2.87Å; M242-H244 PolarHBondContact O-N 2.83Å |
| 245 | Q | 38.1 | Very low | 56.4 | Low | 148 Ų | 148 | 83.2 Ų | 83.2 | 69% | 0.692 | 44% | 0.442 | S | S | * | . | trans | -107.5 | 103 | -179.3 | -79.4 | -173.6 | -29 | 0 | 0 | 112.2 | ||||
| 246 | Q | 38 | Very low | 57 | Low | 97 Ų | 97 | 80.4 Ų | 80.4 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | trans | -112.9 | 118.7 | 178.6 | 179.5 | 176 | -17.2 | 0 | 0 | 109 | L283 | Q246-L283 HydrophobicContact CG-CB 4.39Å; Q246-L283 WeakPolarHBondContact CG-O 3.41Å; Q246-L283 VanDerWaalsContact NE2-N 3.13Å; Q246-L283 PolarHBondContact NE2-O 2.91Å | ||
| 247 | W | 37.2 | Very low | 57.5 | Low | 130 Ų | 130 | 83.1 Ų | 83.1 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 132.2 | 174.8 | -68.5 | 84.4 | 0 | 0 | 0 | 110 | P76 Q286 | P76-W247 HydrophobicContact CB-CZ2 4.41Å; P76-W247 HydrophobicContact CG-CH2 3.15Å; P76-W247 HydrophobicContact CG-CZ2 3.3Å; P76-W247 HydrophobicContact CG-CZ3 4.33Å; W247-Q286 HydrophobicContact CB-CG 3.73Å; W247-Q286 VanDerWaalsContact CD1-CD 3.4Å; W247-Q286 HydrophobicContact CG-CG 3.95Å |
| 248 | S | 40 | Very low | 57.8 | Low | 54 Ų | 54 | 82.8 Ų | 82.8 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 128.2 | -172.7 | 30.8 | 0 | 0 | 0 | 0 | 113.3 | F262 | S248-F262 VanDerWaalsContact CB-CD2 3.45Å; S248-F262 VanDerWaalsContact CB-CG 3.49Å; S248-F262 VanDerWaalsContact OG-CD1 3.23Å; S248-F262 WeakPolarHBondContact OG-CD1 3.21Å; S248-F262 WeakPolarHBondContact OG-CG 3.28Å |
| 249 | F | 46.9 | Very low | 58.4 | Low | 68 Ų | 68 | 84.2 Ų | 84.2 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 159 | 165.2 | -82.8 | -109.8 | 0 | 0 | 0 | 111.2 | I251 L283 L287 | F249-I251 PolarHBondContact O-N 3.09Å; F249-I251 VanDerWaalsContact O-N 3.16Å; F249-L283 HydrophobicContact CB-CD2 4.49Å; F249-L283 HydrophobicContact CD2-CD2 3.96Å; F249-L287 HydrophobicContact CD1-CD1 3.21Å; F249-L287 HydrophobicContact CD1-CD2 4.18Å; F249-L287 HydrophobicContact CD1-CG 4.15Å; F249-L287 HydrophobicContact CD2-CD1 3.79Å; F249-L287 HydrophobicContact CE1-CB 4.33Å; F249-L287 HydrophobicContact CE1-CD1 3.06Å; F249-L287 HydrophobicContact CE1-CD2 3.14Å; F249-L287 HydrophobicContact CE1-CG 3.48Å; F249-L287 VanDerWaalsContact CE1-CG 3.48Å; F249-L287 HydrophobicContact CE2-CB 3.92Å; F249-L287 HydrophobicContact CE2-CD1 3.64Å; F249-L287 HydrophobicContact CE2-CD2 4.23Å; F249-L287 HydrophobicContact CE2-CG 3.97Å; F249-L287 HydrophobicContact CG-CD1 3.61Å; F249-L287 HydrophobicContact CZ-CB 3.75Å; F249-L287 HydrophobicContact CZ-CD1 3.31Å; F249-L287 HydrophobicContact CZ-CD2 3.2Å; F249-L287 HydrophobicContact CZ-CG 3.4Å |
| 250 | P | 55.4 | Low | 58.7 | Low | 74 Ų | 74 | 83.3 Ų | 83.3 | 48% | 0.481 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.8 | 159.5 | 25.5 | -30.6 | 0 | 0 | 0 | 108.9 | I259 | P250-I259 HydrophobicContact CB-CG2 3.85Š|
| 251 | I | 65.5 | Low | 59.4 | Low | 26 Ų | 26 | 82.3 Ų | 82.3 | 13% | 0.133 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.4 | 172.1 | -59 | 168.7 | 0 | 0 | 0 | 106.6 | F249 V260 F262 L280 P281 L283 | F249-I251 PolarHBondContact O-N 3.09Å; F249-I251 VanDerWaalsContact O-N 3.16Å; I251-V260 VanDerWaalsContact O-CB 3.3Å; I251-V260 WeakPolarHBondContact O-CB 3.49Å; I251-V260 WeakPolarHBondContact O-CG2 3.42Å; I251-V260 PolarHBondContact O-N 2.93Å; I251-F262 HydrophobicContact CD1-CD2 4.36Å; I251-L280 HydrophobicContact CD1-CD2 3.84Å; I251-P281 HydrophobicContact CD1-CG 4.33Å; I251-L283 HydrophobicContact CD1-CD1 4.11Å; I251-L283 HydrophobicContact CG1-CD1 4.3Å |
| 252 | F | 73.4 | Confident | 60.2 | Low | 128 Ų | 128 | 82.9 Ų | 82.9 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.2 | 173 | -64 | -85.6 | 0 | 0 | 0 | 110.1 | E257 I259 | F252-E257 WeakPolarHBondContact CD1-O 3.31Å; F252-I259 HydrophobicContact CD1-CG1 4.04Å; F252-I259 HydrophobicContact CE1-CD1 4.37Å; F252-I259 HydrophobicContact CE1-CG1 3.65Å; F252-I259 HydrophobicContact CZ-CG1 4.5Å |
| 253 | C | 75.5 | Confident | 60.9 | Low | 2 Ų | 2 | 83.9 Ų | 83.9 | 1% | 0.014 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 125.7 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 110 | N255 E257 S258 V260 C271 C274 I278 | C253-N255 PolarHBondContact O-N 2.78Å; C253-N255 VanDerWaalsContact O-N 3.16Å; C253-N255 PolarHBondContact SG-N 3.41Å; C253-N255 VanDerWaalsContact SG-N 3.44Å; C253-E257 VanDerWaalsContact O-CA 3.24Å; C253-E257 WeakPolarHBondContact O-CA 3.3Å; C253-E257 PolarHBondContact O-N 3.15Å; C253-S258 WeakPolarHBondContact CB-O 3.45Å; C253-S258 PolarHBondContact N-O 3.17Å; C253-V260 HydrophobicContact CB-CG2 3.81Å; C253-C271 HydrophobicContact CB-CB 4.06Å; C253-C271 VanDerWaalsContact SG-SG 3.64Å; C253-C274 PolarHBondContact SG-SG 3.35Å; C253-I278 HydrophobicContact CB-CD1 4.02Å |
| 254 | P | 80 | Confident | 61.7 | Low | 107 Ų | 107 | 85.8 Ų | 85.8 | 70% | 0.695 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.6 | -179.4 | 28.1 | -34.9 | 0 | 0 | 0 | 113.6 | I278 | P254-I278 HydrophobicContact CG-CG1 4.4Š|
| 255 | N | 83.3 | Confident | 62.8 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -35.3 | -177.1 | -170.3 | 35.6 | 0 | 0 | 0 | 113.5 | C253 E276 | C253-N255 PolarHBondContact O-N 2.78Å; C253-N255 VanDerWaalsContact O-N 3.16Å; C253-N255 PolarHBondContact SG-N 3.41Å; C253-N255 VanDerWaalsContact SG-N 3.44Å; N255-E276 HydrophobicContact CB-CB 4.39Å; N255-E276 HydrophobicContact CB-CG 4.37Å |
| 256 | C | 84.8 | Confident | 64 | Low | 45 Ų | 45 | 84.5 Ų | 84.5 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 8.4 | -174.6 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | S258 C271 C274 | C256-S258 PolarHBondContact O-N 2.92Å; C256-S258 PolarHBondContact O-OG 3.06Å; C256-S258 PolarHBondContact SG-OG 3.31Å; C256-S258 VanDerWaalsContact SG-OG 3.42Å; C256-C271 PolarHBondContact SG-SG 2.54Å; C256-C274 HydrophobicContact CB-CB 3.94Å; C256-C274 PolarHBondContact SG-SG 2.79Å |
| 257 | E | 76.6 | Confident | 65.5 | Low | 162 Ų | 162 | 82.2 Ų | 82.2 | 76% | 0.757 | 43% | 0.434 | S | S | * | . | trans | 60 | 7 | 175.8 | -57.3 | -180 | 179.3 | 0 | 0 | 115.6 | F252 C253 | F252-E257 WeakPolarHBondContact CD1-O 3.31Å; C253-E257 VanDerWaalsContact O-CA 3.24Å; C253-E257 WeakPolarHBondContact O-CA 3.3Å; C253-E257 PolarHBondContact O-N 3.15Å | ||
| 258 | S | 71.3 | Confident | 67.3 | Low | 29 Ų | 29 | 78.3 Ų | 78.3 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 145.5 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | C253 C256 V260 D273 | C253-S258 WeakPolarHBondContact CB-O 3.45Å; C253-S258 PolarHBondContact N-O 3.17Å; C256-S258 PolarHBondContact O-N 2.92Å; C256-S258 PolarHBondContact O-OG 3.06Å; C256-S258 PolarHBondContact SG-OG 3.31Å; C256-S258 VanDerWaalsContact SG-OG 3.42Å; S258-V260 PolarHBondContact O-N 3.23Å; S258-D273 WeakPolarHBondContact CB-OD2 3.4Å; S258-D273 PolarHBondContact OG-OD2 2.72Å; S258-D273 VanDerWaalsContact OG-OD2 3.08Å |
| 259 | I | 72.6 | Confident | 69.1 | Low | 109 Ų | 109 | 75.9 Ų | 75.9 | 56% | 0.559 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.2 | 177.5 | -64.1 | 171.1 | 0 | 0 | 0 | 109 | P250 F252 | P250-I259 HydrophobicContact CB-CG2 3.85Å; F252-I259 HydrophobicContact CD1-CG1 4.04Å; F252-I259 HydrophobicContact CE1-CD1 4.37Å; F252-I259 HydrophobicContact CE1-CG1 3.65Å; F252-I259 HydrophobicContact CZ-CG1 4.5Å |
| 260 | V | 71.9 | Confident | 70.7 | Confident | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.036 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.1 | -177.7 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | I251 C253 S258 C269 I278 | I251-V260 VanDerWaalsContact O-CB 3.3Å; I251-V260 WeakPolarHBondContact O-CB 3.49Å; I251-V260 WeakPolarHBondContact O-CG2 3.42Å; I251-V260 PolarHBondContact O-N 2.93Å; C253-V260 HydrophobicContact CB-CG2 3.81Å; S258-V260 PolarHBondContact O-N 3.23Å; V260-C269 HydrophobicContact CG1-CB 3.39Å; V260-I278 HydrophobicContact CB-CD1 4.49Å; V260-I278 HydrophobicContact CG1-CD1 4.29Å; V260-I278 HydrophobicContact CG2-CD1 3.56Å |
| 261 | T | 64.4 | Low | 71.8 | Confident | 96 Ų | 96 | 72.4 Ų | 72.4 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 132.4 | 172.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 262 | F | 62.9 | Low | 72.5 | Confident | 70 Ų | 70 | 75 Ų | 75 | 31% | 0.307 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 128.1 | 176.6 | -166.7 | -98.2 | 0 | 0 | 0 | 110.9 | S248 I251 D264 L280 | S248-F262 VanDerWaalsContact CB-CD2 3.45Å; S248-F262 VanDerWaalsContact CB-CG 3.49Å; S248-F262 VanDerWaalsContact OG-CD1 3.23Å; S248-F262 WeakPolarHBondContact OG-CD1 3.21Å; S248-F262 WeakPolarHBondContact OG-CG 3.28Å; I251-F262 HydrophobicContact CD1-CD2 4.36Å; F262-D264 HydrophobicContact CD1-CB 4.17Å; F262-D264 HydrophobicContact CE1-CB 3.64Å; F262-L280 HydrophobicContact CD2-CD1 4.47Å; F262-L280 HydrophobicContact CD2-CD2 3.53Å; F262-L280 HydrophobicContact CE2-CD1 3.75Å; F262-L280 HydrophobicContact CE2-CD2 3.31Å; F262-L280 HydrophobicContact CE2-CG 4.13Å; F262-L280 HydrophobicContact CZ-CD1 3.92Å; F262-L280 HydrophobicContact CZ-CD2 4.31Å |
| 263 | D | 61.6 | Low | 72.8 | Confident | 58 Ų | 58 | 74 Ų | 74 | 31% | 0.31 | 40% | 0.404 | S | S | . | . | trans | -120.9 | 107.8 | 165.7 | -176.9 | 2.9 | 0 | 0 | 0 | 107.8 | K265 Q266 | D263-K265 PolarHBondContact O-N 2.94Å; D263-K265 WeakPolarHBondContact OD1-CB 3.33Å; D263-K265 PolarHBondContact OD1-N 3.22Å; D263-Q266 PolarHBondContact OD2-NE2 3.14Å | ||
| 264 | D | 58 | Low | 73.5 | Confident | 118 Ų | 118 | 75.8 Ų | 75.8 | 63% | 0.631 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.9 | -174.3 | 62.7 | -25.2 | 0 | 0 | 0 | 113.1 | F262 | F262-D264 HydrophobicContact CD1-CB 4.17Å; F262-D264 HydrophobicContact CE1-CB 3.64Å |
| 265 | K | 61.8 | Low | 73.8 | Confident | 178 Ų | 178 | 77.4 Ų | 77.4 | 77% | 0.774 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.4 | -170.5 | -61 | -176.9 | -176.8 | 175.2 | 0 | 114.7 | D263 | D263-K265 PolarHBondContact O-N 2.94Å; D263-K265 WeakPolarHBondContact OD1-CB 3.33Å; D263-K265 PolarHBondContact OD1-N 3.22Å |
| 266 | Q | 63.6 | Low | 73.9 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -117.4 | -7.6 | -166.7 | -59 | -174 | 49 | 0 | 0 | 114.4 | D263 F268 | D263-Q266 PolarHBondContact OD2-NE2 3.14Å; Q266-F268 HydrophobicContact CB-CD1 4.03Å; Q266-F268 HydrophobicContact CB-CE1 3.67Å; Q266-F268 HydrophobicContact CB-CE2 4.37Å; Q266-F268 HydrophobicContact CB-CZ 3.87Å; Q266-F268 WeakPolarHBondContact O-CD1 3.27Å; Q266-F268 WeakPolarHBondContact O-CE1 3.48Å; Q266-F268 PolarHBondContact O-N 2.67Å |
| 267 | G | 69.6 | Low | 73.9 | Confident | 49 Ų | 49 | 80 Ų | 80 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 72 | 2.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L280 | G267-L280 PolarHBondContact O-N 3.12Š|
| 268 | F | 75 | Confident | 74 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 21% | 0.211 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.4 | 174.9 | 61.6 | -94 | 0 | 0 | 0 | 109.6 | Q266 V270 K277 I278 | Q266-F268 HydrophobicContact CB-CD1 4.03Å; Q266-F268 HydrophobicContact CB-CE1 3.67Å; Q266-F268 HydrophobicContact CB-CE2 4.37Å; Q266-F268 HydrophobicContact CB-CZ 3.87Å; Q266-F268 WeakPolarHBondContact O-CD1 3.27Å; Q266-F268 WeakPolarHBondContact O-CE1 3.48Å; Q266-F268 PolarHBondContact O-N 2.67Å; F268-V270 HydrophobicContact CD2-CG2 3.94Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å; F268-K277 HydrophobicContact CB-CG 4.16Å; F268-K277 HydrophobicContact CD2-CD 4.08Å; F268-K277 HydrophobicContact CD2-CG 3.69Å; F268-K277 VanDerWaalsContact CE1-CE 3.45Å; F268-K277 HydrophobicContact CE2-CD 4.35Å; F268-K277 HydrophobicContact CE2-CG 4.31Å; F268-K277 HydrophobicContact CG-CD 4.22Å; F268-K277 HydrophobicContact CG-CG 4Å; F268-I278 CarbonylContact C-O 3.06Å; F268-I278 VanDerWaalsContact CA-O 3.31Å; F268-I278 WeakPolarHBondContact CA-O 3.27Å; F268-I278 WeakPolarHBondContact CB-O 3.46Å |
| 269 | C | 76.5 | Confident | 74.2 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.02 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 153.7 | 167.1 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | V260 I278 L280 | V260-C269 HydrophobicContact CG1-CB 3.39Å; C269-I278 PolarHBondContact N-O 2.74Å; C269-I278 PolarHBondContact O-N 2.77Å; C269-L280 WeakPolarHBondContact SG-CD2 3.4Å |
| 270 | V | 81.8 | Confident | 73.9 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.6 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | F268 V272 E276 | F268-V270 HydrophobicContact CD2-CG2 3.94Å; F268-V270 HydrophobicContact CE2-CG2 3.75Å; V270-V272 PolarHBondContact O-N 2.76Å; V270-E276 WeakPolarHBondContact CA-O 3.37Å |
| 271 | C | 78.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -61.6 | 129.6 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | C253 C256 D273 C274 K275 E276 I278 | C253-C271 HydrophobicContact CB-CB 4.06Å; C253-C271 VanDerWaalsContact SG-SG 3.64Å; C256-C271 PolarHBondContact SG-SG 2.54Å; C271-D273 VanDerWaalsContact C-N 3.27Å; C271-D273 PolarHBondContact O-N 2.96Å; C271-D273 PolarHBondContact SG-N 3.28Å; C271-D273 VanDerWaalsContact SG-N 3.45Å; C271-C274 PolarHBondContact SG-N 2.65Å; C271-C274 VanDerWaalsContact SG-N 3.44Å; C271-K275 WeakPolarHBondContact O-CA 3.29Å; C271-K275 PolarHBondContact O-N 3.37Å; C271-K275 VanDerWaalsContact O-N 3.09Å; C271-E276 HydrophobicContact CB-CB 4.41Å; C271-E276 PolarHBondContact N-O 3.26Å; C271-I278 HydrophobicContact CB-CD1 4.34Å | ||
| 272 | V | 79.9 | Confident | 72.8 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -35.7 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | V270 K275 | V270-V272 PolarHBondContact O-N 2.76Å; V272-K275 WeakPolarHBondContact O-CE 3.41Å; V272-K275 PolarHBondContact O-NZ 3.38Å |
| 273 | D | 80 | Confident | 72.1 | Confident | 106 Ų | 106 | 77 Ų | 77 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -61.3 | -174.3 | -57.8 | -71.7 | 0 | 0 | 0 | 112.8 | S258 C271 | S258-D273 WeakPolarHBondContact CB-OD2 3.4Å; S258-D273 PolarHBondContact OG-OD2 2.72Å; S258-D273 VanDerWaalsContact OG-OD2 3.08Å; C271-D273 VanDerWaalsContact C-N 3.27Å; C271-D273 PolarHBondContact O-N 2.96Å; C271-D273 PolarHBondContact SG-N 3.28Å; C271-D273 VanDerWaalsContact SG-N 3.45Å |
| 274 | C | 88.6 | Confident | 71.3 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 27% | 0.27 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.7 | -175.7 | 72.4 | 0 | 0 | 0 | 0 | 115.2 | C253 C256 C271 E276 | C253-C274 PolarHBondContact SG-SG 3.35Å; C256-C274 HydrophobicContact CB-CB 3.94Å; C256-C274 PolarHBondContact SG-SG 2.79Å; C271-C274 PolarHBondContact SG-N 2.65Å; C271-C274 VanDerWaalsContact SG-N 3.44Å; C274-E276 PolarHBondContact O-N 3.27Å; C274-E276 VanDerWaalsContact O-N 3.13Å; C274-E276 WeakPolarHBondContact SG-CB 3.14Å |
| 275 | K | 87.3 | Confident | 70.6 | Confident | 142 Ų | 142 | 83.2 Ų | 83.2 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | trans | 62.9 | 9.2 | -177.7 | -48.3 | -53.5 | -176.5 | -166.9 | 0 | 115.7 | C271 V272 | C271-K275 WeakPolarHBondContact O-CA 3.29Å; C271-K275 PolarHBondContact O-N 3.37Å; C271-K275 VanDerWaalsContact O-N 3.09Å; V272-K275 WeakPolarHBondContact O-CE 3.41Å; V272-K275 PolarHBondContact O-NZ 3.38Å | ||
| 276 | E | 84.9 | Confident | 69.7 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 40% | 0.402 | 41% | 0.412 | S | S | . | . | trans | -59.5 | 138.4 | 176 | -171.4 | 55.3 | -124.4 | 0 | 0 | 111.2 | N255 V270 C271 C274 I278 | N255-E276 HydrophobicContact CB-CB 4.39Å; N255-E276 HydrophobicContact CB-CG 4.37Å; V270-E276 WeakPolarHBondContact CA-O 3.37Å; C271-E276 HydrophobicContact CB-CB 4.41Å; C271-E276 PolarHBondContact N-O 3.26Å; C274-E276 PolarHBondContact O-N 3.27Å; C274-E276 VanDerWaalsContact O-N 3.13Å; C274-E276 WeakPolarHBondContact SG-CB 3.14Å; E276-I278 HydrophobicContact CG-CG1 4.43Å | ||
| 277 | K | 86 | Confident | 68.6 | Low | 124 Ų | 124 | 77.3 Ų | 77.3 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111 | 179.1 | -169.9 | -179.1 | -177.1 | 179.5 | 0 | 109 | F268 | F268-K277 HydrophobicContact CB-CG 4.16Å; F268-K277 HydrophobicContact CD2-CD 4.08Å; F268-K277 HydrophobicContact CD2-CG 3.69Å; F268-K277 VanDerWaalsContact CE1-CE 3.45Å; F268-K277 HydrophobicContact CE2-CD 4.35Å; F268-K277 HydrophobicContact CE2-CG 4.31Å; F268-K277 HydrophobicContact CG-CD 4.22Å; F268-K277 HydrophobicContact CG-CG 4Å |
| 278 | I | 78.2 | Confident | 67.1 | Low | 18 Ų | 18 | 77.2 Ų | 77.2 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.1 | -173.8 | -57.3 | 160.9 | 0 | 0 | 0 | 107.9 | C253 P254 V260 F268 C269 C271 E276 L280 | C253-I278 HydrophobicContact CB-CD1 4.02Å; P254-I278 HydrophobicContact CG-CG1 4.4Å; V260-I278 HydrophobicContact CB-CD1 4.49Å; V260-I278 HydrophobicContact CG1-CD1 4.29Å; V260-I278 HydrophobicContact CG2-CD1 3.56Å; F268-I278 CarbonylContact C-O 3.06Å; F268-I278 VanDerWaalsContact CA-O 3.31Å; F268-I278 WeakPolarHBondContact CA-O 3.27Å; F268-I278 WeakPolarHBondContact CB-O 3.46Å; C269-I278 PolarHBondContact N-O 2.74Å; C269-I278 PolarHBondContact O-N 2.77Å; C271-I278 HydrophobicContact CB-CD1 4.34Å; E276-I278 HydrophobicContact CG-CG1 4.43Å; I278-L280 PolarHBondContact O-N 2.88Å |
| 279 | A | 76 | Confident | 65.5 | Low | 79 Ų | 79 | 83.8 Ų | 83.8 | 65% | 0.653 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 133.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P281 | A279-P281 WeakPolarHBondContact O-CD 3.41Å |
| 280 | L | 65.5 | Low | 63.8 | Low | 40 Ų | 40 | 87 Ų | 87 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 121.3 | 176.3 | -75.5 | 177 | 0 | 0 | 0 | 109 | I251 F262 G267 C269 I278 Q282 | I251-L280 HydrophobicContact CD1-CD2 3.84Å; F262-L280 HydrophobicContact CD2-CD1 4.47Å; F262-L280 HydrophobicContact CD2-CD2 3.53Å; F262-L280 HydrophobicContact CE2-CD1 3.75Å; F262-L280 HydrophobicContact CE2-CD2 3.31Å; F262-L280 HydrophobicContact CE2-CG 4.13Å; F262-L280 HydrophobicContact CZ-CD1 3.92Å; F262-L280 HydrophobicContact CZ-CD2 4.31Å; G267-L280 PolarHBondContact O-N 3.12Å; C269-L280 WeakPolarHBondContact SG-CD2 3.4Å; I278-L280 PolarHBondContact O-N 2.88Å; L280-Q282 PolarHBondContact O-N 2.85Å |
| 281 | P | 56.8 | Low | 61.7 | Low | 66 Ų | 66 | 88.3 Ų | 88.3 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 143.6 | 167.4 | 11.4 | -7.6 | 0 | 0 | 0 | 107.9 | I251 A279 L283 | I251-P281 HydrophobicContact CD1-CG 4.33Å; A279-P281 WeakPolarHBondContact O-CD 3.41Å; P281-L283 HydrophobicContact CG-CD1 3.95Å; P281-L283 PolarHBondContact O-N 2.69Å |
| 282 | Q | 55.3 | Low | 59.9 | Low | 174 Ų | 174 | 91.6 Ų | 91.6 | 81% | 0.813 | 46% | 0.457 | S | S | * | . | trans | -64.7 | 84.2 | 164 | -73.5 | -178.9 | -12.2 | 0 | 0 | 107.6 | L280 N284 | L280-Q282 PolarHBondContact O-N 2.85Å; Q282-N284 VanDerWaalsContact C-N 3.31Å; Q282-N284 PolarHBondContact O-N 2.93Å | ||
| 283 | L | 50.1 | Low | 57.8 | Low | 32 Ų | 32 | 91.5 Ų | 91.5 | 17% | 0.168 | 45% | 0.451 | C | S | . | . | trans | -72 | 86.7 | 176.3 | -102.8 | 131.2 | 0 | 0 | 0 | 108 | Q246 F249 I251 P281 R285 | Q246-L283 HydrophobicContact CG-CB 4.39Å; Q246-L283 WeakPolarHBondContact CG-O 3.41Å; Q246-L283 VanDerWaalsContact NE2-N 3.13Å; Q246-L283 PolarHBondContact NE2-O 2.91Å; F249-L283 HydrophobicContact CB-CD2 4.49Å; F249-L283 HydrophobicContact CD2-CD2 3.96Å; I251-L283 HydrophobicContact CD1-CD1 4.11Å; I251-L283 HydrophobicContact CG1-CD1 4.3Å; P281-L283 HydrophobicContact CG-CD1 3.95Å; P281-L283 PolarHBondContact O-N 2.69Å; L283-R285 PolarHBondContact O-N 2.74Å; L283-R285 VanDerWaalsContact O-N 3.11Å | ||
| 284 | N | 44.7 | Very low | 56 | Low | 129 Ų | 129 | 93 Ų | 93 | 69% | 0.69 | 45% | 0.449 | S | S | * | . | trans | -77.3 | 19.6 | 173.3 | -70.2 | -11.1 | 0 | 0 | 0 | 113 | Q282 | Q282-N284 VanDerWaalsContact C-N 3.31Å; Q282-N284 PolarHBondContact O-N 2.93Å | ||
| 285 | R | 42.2 | Very low | 53.7 | Low | 177 Ų | 177 | 96.8 Ų | 96.8 | 67% | 0.668 | 46% | 0.461 | S | S | * | . | trans | -133.4 | 125.1 | -171.3 | -67.4 | -173.8 | 169.4 | 179.7 | -4.8 | 112.6 | L283 | L283-R285 PolarHBondContact O-N 2.74Å; L283-R285 VanDerWaalsContact O-N 3.11Å | ||
| 286 | Q | 43.3 | Very low | 51.5 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 151.6 | 168.1 | -132.5 | -178.8 | -66 | 0 | 0 | 109.3 | D152 W247 T288 | D152-Q286 WeakPolarHBondContact OD2-CB 3.1Å; D152-Q286 PolarHBondContact OD2-N 2.95Å; W247-Q286 HydrophobicContact CB-CG 3.73Å; W247-Q286 VanDerWaalsContact CD1-CD 3.4Å; W247-Q286 HydrophobicContact CG-CG 3.95Å; Q286-T288 PolarHBondContact O-N 3.45Å |
| 287 | L | 40.3 | Very low | 49.3 | Very low | 79 Ų | 79 | 98.6 Ų | 98.6 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 125.1 | 171.6 | -130.1 | 117 | 0 | 0 | 0 | 108.8 | F249 | F249-L287 HydrophobicContact CD1-CD1 3.21Å; F249-L287 HydrophobicContact CD1-CD2 4.18Å; F249-L287 HydrophobicContact CD1-CG 4.15Å; F249-L287 HydrophobicContact CD2-CD1 3.79Å; F249-L287 HydrophobicContact CE1-CB 4.33Å; F249-L287 HydrophobicContact CE1-CD1 3.06Å; F249-L287 HydrophobicContact CE1-CD2 3.14Å; F249-L287 HydrophobicContact CE1-CG 3.48Å; F249-L287 VanDerWaalsContact CE1-CG 3.48Å; F249-L287 HydrophobicContact CE2-CB 3.92Å; F249-L287 HydrophobicContact CE2-CD1 3.64Å; F249-L287 HydrophobicContact CE2-CD2 4.23Å; F249-L287 HydrophobicContact CE2-CG 3.97Å; F249-L287 HydrophobicContact CG-CD1 3.61Å; F249-L287 HydrophobicContact CZ-CB 3.75Å; F249-L287 HydrophobicContact CZ-CD1 3.31Å; F249-L287 HydrophobicContact CZ-CD2 3.2Å; F249-L287 HydrophobicContact CZ-CG 3.4Å |
| 288 | T | 38.5 | Very low | 47.3 | Very low | 47 Ų | 47 | 99.7 Ų | 99.7 | 29% | 0.288 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -101.3 | 138.5 | 166.6 | 31.1 | 0 | 0 | 0 | 0 | 110.2 | W134 D152 Q286 | W134-T288 VanDerWaalsContact CH2-CB 3.46Å; W134-T288 HydrophobicContact CH2-CG2 3.61Å; W134-T288 WeakPolarHBondContact CH2-OG1 3.33Å; W134-T288 HydrophobicContact CZ2-CG2 3.51Å; D152-T288 HydrophobicContact CB-CG2 3.47Å; D152-T288 VanDerWaalsContact CB-CG2 3.47Å; D152-T288 WeakPolarHBondContact OD1-CG2 3.39Å; Q286-T288 PolarHBondContact O-N 3.45Å |
| 289 | W | 40.4 | Very low | 45.5 | Very low | 186 Ų | 186 | 104.1 Ų | 104.1 | 71% | 0.705 | 51% | 0.511 | S | S | * | . | trans | -107.3 | 121.3 | 173.1 | -64.5 | 86.3 | 0 | 0 | 0 | 107.6 | ||||
| 290 | Q | 40.9 | Very low | 43.8 | Very low | 70 Ų | 70 | 109.5 Ų | 109.5 | 33% | 0.327 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.3 | 167.5 | -66.3 | 176.5 | -47.9 | 0 | 0 | 108 | G100 G132 W134 | G100-Q290 VanDerWaalsContact C-OE1 3.25Å; G100-Q290 VanDerWaalsContact CA-NE2 3.27Å; G100-Q290 PolarHBondContact O-OE1 3.32Å; G132-Q290 PolarHBondContact O-NE2 3.05Å; W134-Q290 HydrophobicContact CZ3-CG 3.79Å; W134-Q290 VanDerWaalsContact CZ3-NE2 3.29Å |
| 291 | H | 37.3 | Very low | 42.2 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.3 | 170.8 | -171.2 | -111.3 | 0 | 0 | 0 | 108.2 | V155 Q156 N157 E293 | V155-H291 PolarHBondContact O-N 2.76Å; Q156-H291 WeakPolarHBondContact CA-O 3.39Å; Q156-H291 HydrophobicContact CG-CB 4.26Å; N157-H291 PolarHBondContact N-O 3.08Å; N157-H291 VanDerWaalsContact N-O 3.14Å; H291-E293 WeakPolarHBondContact CE1-CG 3.15Å; H291-E293 IonicContact CE1-OE1 3.05Å; H291-E293 PolarHBondContact CE1-OE1 3.06Å |
| 292 | V | 42.6 | Very low | 41 | Very low | 69 Ų | 69 | 116.5 Ų | 116.5 | 42% | 0.418 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.8 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | F159 R294 | F159-V292 HydrophobicContact CE2-CG1 3.98Å; V292-R294 HydrophobicContact CG1-CG 4.29Å |
| 293 | E | 34.7 | Very low | 40.1 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 36% | 0.364 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.9 | 172.7 | -63 | -172.8 | 144.4 | 0 | 0 | 109.5 | N157 V158 F159 H291 F295 | N157-E293 PolarHBondContact O-N 2.88Å; V158-E293 WeakPolarHBondContact CA-O 3.41Å; V158-E293 HydrophobicContact CG2-CB 4.48Å; F159-E293 PolarHBondContact N-O 2.8Å; H291-E293 WeakPolarHBondContact CE1-CG 3.15Å; H291-E293 IonicContact CE1-OE1 3.05Å; H291-E293 PolarHBondContact CE1-OE1 3.06Å; E293-F295 HydrophobicContact CB-CD2 4.31Å; E293-F295 HydrophobicContact CB-CE2 3.58Å; E293-F295 HydrophobicContact CB-CZ 3.98Å; E293-F295 HydrophobicContact CG-CE2 4.45Å; E293-F295 HydrophobicContact CG-CZ 4.47Å; E293-F295 WeakPolarHBondContact OE2-CE2 3.34Å; E293-F295 WeakPolarHBondContact OE2-CZ 3.01Å |
| 294 | R | 42.1 | Very low | 39.4 | Very low | 138 Ų | 138 | 118.7 Ų | 118.7 | 52% | 0.521 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.8 | 171.2 | -69.1 | 179 | 179.5 | 174.7 | 0.2 | 108.2 | E95 F159 V292 | E95-R294 IonicContact OE2-NH2 2.88Å; E95-R294 PolarHBondContact OE2-NH2 2.88Å; E95-R294 VanDerWaalsContact OE2-NH2 3.12Å; F159-R294 HydrophobicContact CD2-CG 3.67Å; F159-R294 HydrophobicContact CE2-CG 4.18Å; V292-R294 HydrophobicContact CG1-CG 4.29Å |
| 295 | F | 41.3 | Very low | 38.8 | Very low | 119 Ų | 119 | 119 Ų | 119 | 52% | 0.522 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.3 | 173.8 | -62.3 | -82.7 | 0 | 0 | 0 | 109.6 | V158 F159 E293 | V158-F295 HydrophobicContact CG1-CD2 4.04Å; V158-F295 HydrophobicContact CG1-CE2 3.88Å; F159-F295 PolarHBondContact O-N 2.99Å; E293-F295 HydrophobicContact CB-CD2 4.31Å; E293-F295 HydrophobicContact CB-CE2 3.58Å; E293-F295 HydrophobicContact CB-CZ 3.98Å; E293-F295 HydrophobicContact CG-CE2 4.45Å; E293-F295 HydrophobicContact CG-CZ 4.47Å; E293-F295 WeakPolarHBondContact OE2-CE2 3.34Å; E293-F295 WeakPolarHBondContact OE2-CZ 3.01Å |
| 296 | F | 41.2 | Very low | 38.4 | Very low | 181 Ų | 181 | 115 Ų | 115 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | trans | -89.9 | 116.2 | 170.3 | -68.3 | -84.2 | 0 | 0 | 0 | 109 | N298 | F296-N298 PolarHBondContact O-N 2.97Å; F296-N298 VanDerWaalsContact O-N 3.16Å | ||
| 297 | D | 38.5 | Very low | 37.8 | Very low | 86 Ų | 86 | 115.9 Ų | 115.9 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | trans | -79.9 | 96.5 | 175.3 | -167.8 | 6 | 0 | 0 | 0 | 110.2 | T299 | D297-T299 PolarHBondContact O-N 3.37Å; D297-T299 VanDerWaalsContact O-N 3.14Å; D297-T299 WeakPolarHBondContact OD1-CB 3.46Å; D297-T299 PolarHBondContact OD1-N 3.09Å; D297-T299 VanDerWaalsContact OD1-N 3.15Å; D297-T299 PolarHBondContact OD1-OG1 3.33Å; D297-T299 PolarHBondContact OD2-OG1 2.98Å | ||
| 298 | N | 44.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 117.8 Ų | 117.8 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 12.6 | 174.3 | -92.1 | -9 | 0 | 0 | 0 | 113.2 | F296 | F296-N298 PolarHBondContact O-N 2.97Å; F296-N298 VanDerWaalsContact O-N 3.16Å |
| 299 | T | 38.9 | Very low | 37.2 | Very low | 111 Ų | 111 | 125 Ų | 125 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 9.4 | -170 | 70.5 | 0 | 0 | 0 | 0 | 117.3 | D297 | D297-T299 PolarHBondContact O-N 3.37Å; D297-T299 VanDerWaalsContact O-N 3.14Å; D297-T299 WeakPolarHBondContact OD1-CB 3.46Å; D297-T299 PolarHBondContact OD1-N 3.09Å; D297-T299 VanDerWaalsContact OD1-N 3.15Å; D297-T299 PolarHBondContact OD1-OG1 3.33Å; D297-T299 PolarHBondContact OD2-OG1 2.98Å |
| 300 | K | 40.5 | Very low | 36.9 | Very low | 192 Ų | 192 | 120.9 Ų | 120.9 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -100.1 | 15.6 | 170.4 | -80.3 | -175.2 | -178.3 | 170.6 | 0 | 116.2 | ||
| 301 | T | 32.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -102.7 | 49.1 | 173.3 | -31.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 302 | T | 31.7 | Very low | 36.1 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -168.8 | 91.7 | 157.5 | 14.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 303 | T | 37.2 | Very low | 35.8 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | -159.5 | 114.4 | 137.5 | 1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 304 | T | 34.2 | Very low | 36.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 77.6 | 115.7 | 150.5 | 29.1 | 0 | 0 | 0 | 0 | 119.4 | ||
| 305 | T | 31.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | 81.9 | 81.9 | 146.4 | 57.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 306 | A | 35.4 | Very low | 37 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | 168 | 95.7 | 133.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 307 | A | 30.6 | Very low | 38.6 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | 51.7 | 83.7 | 100 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 308 | S | 32.8 | Very low | 40.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -178.7 | 136.9 | 135.1 | 40.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 309 | E | 31.9 | Very low | 42.7 | Very low | 200 Ų | 200 | 127 Ų | 127 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -72.4 | 121.5 | -177.2 | -57.9 | 160.6 | 145.8 | 0 | 0 | 110.5 | ||||
| 310 | A | 34.2 | Very low | 45 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -161.8 | 105 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 311 | K | 32.5 | Very low | 47.1 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | 1.2 | 128.4 | 152.2 | -66.6 | 173.3 | 176.1 | 175.4 | 0 | 118.2 | Q313 | K311-Q313 PolarHBondContact O-N 2.91Š| ||
| 312 | N | 29.7 | Very low | 49.9 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -4.9 | 107 | 148.4 | -81.8 | -5.9 | 0 | 0 | 0 | 115.1 | ||||
| 313 | Q | 35.8 | Very low | 52.6 | Low | 187 Ų | 187 | 120.4 Ų | 120.4 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | trans | -115.7 | 74.3 | 156.8 | -80.5 | -178.9 | -5.5 | 0 | 0 | 108.1 | K311 S315 | K311-Q313 PolarHBondContact O-N 2.91Å; Q313-S315 PolarHBondContact O-N 3.47Å | ||
| 314 | E | 41.8 | Very low | 55.1 | Low | 151 Ų | 151 | 119.7 Ų | 119.7 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | -66.3 | 115 | 147.2 | -122.3 | 175.1 | -170 | 0 | 0 | 104.6 | H316 | E314-H316 PolarHBondContact O-N 2.81Å; E314-H316 IonicContact OE2-CD2 2.64Å; E314-H316 IonicContact OE2-CE1 2.75Å; E314-H316 IonicContact OE2-NE2 3.51Å; E314-H316 PolarHBondContact OE2-NE2 3.02Å | ||
| 315 | S | 44.5 | Very low | 57.6 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | trans | -70.4 | 59.3 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | Q313 V317 | Q313-S315 PolarHBondContact O-N 3.47Å; S315-V317 PolarHBondContact O-N 2.91Å; S315-V317 VanDerWaalsContact O-N 3.1Å | ||
| 316 | H | 57.3 | Low | 60.4 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 39% | 0.394 | 64% | 0.642 | S | S | . | * | trans | -66.3 | 106.8 | 168.6 | -81.3 | -58.5 | 0 | 0 | 0 | 108.1 | E314 T318 S332 | E314-H316 PolarHBondContact O-N 2.81Å; E314-H316 IonicContact OE2-CD2 2.64Å; E314-H316 IonicContact OE2-CE1 2.75Å; E314-H316 IonicContact OE2-NE2 3.51Å; E314-H316 PolarHBondContact OE2-NE2 3.02Å; H316-T318 PolarHBondContact O-N 3.33Å; H316-T318 VanDerWaalsContact O-N 3.08Å; H316-S332 VanDerWaalsContact CB-CB 3.49Å | ||
| 317 | V | 75.8 | Confident | 62.8 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 49% | 0.491 | 62% | 0.622 | S | S | . | * | trans | -60.7 | 115.5 | 171.9 | -171.1 | 0 | 0 | 0 | 0 | 107.6 | S315 S332 Y333 | S315-V317 PolarHBondContact O-N 2.91Å; S315-V317 VanDerWaalsContact O-N 3.1Å; V317-S332 WeakPolarHBondContact O-CA 3.4Å; V317-Y333 HydrophobicContact CB-CD1 4.22Å; V317-Y333 HydrophobicContact CB-CE1 3.71Å; V317-Y333 HydrophobicContact CG1-CD1 4.21Å; V317-Y333 HydrophobicContact CG1-CE1 3.36Å; V317-Y333 WeakPolarHBondContact O-CD1 3.49Å; V317-Y333 PolarHBondContact O-N 3.42Å | ||
| 318 | T | 82 | Confident | 65.6 | Low | 82 Ų | 82 | 113.4 Ų | 113.4 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 137.8 | -176.9 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | H316 M331 L352 | H316-T318 PolarHBondContact O-N 3.33Å; H316-T318 VanDerWaalsContact O-N 3.08Å; T318-M331 WeakPolarHBondContact CA-O 3.21Å; T318-L352 HydrophobicContact CG2-CD1 3.51Å; T318-L352 HydrophobicContact CG2-CD2 4.27Å; T318-L352 HydrophobicContact CG2-CG 4.4Å |
| 319 | V | 85.4 | Confident | 68.3 | Low | 46 Ų | 46 | 112.5 Ų | 112.5 | 28% | 0.279 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.9 | 176.8 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | R321 M331 Y333 F349 | V319-R321 HydrophobicContact CG1-CB 4.19Å; V319-R321 PolarHBondContact O-N 2.83Å; V319-M331 WeakPolarHBondContact CG1-O 3.38Å; V319-M331 PolarHBondContact N-O 3.29Å; V319-M331 PolarHBondContact O-N 3.47Å; V319-M331 VanDerWaalsContact O-N 3.14Å; V319-Y333 HydrophobicContact CB-CD1 4.19Å; V319-Y333 HydrophobicContact CG1-CD1 4.26Å; V319-F349 HydrophobicContact CG1-CD1 3.76Å; V319-F349 HydrophobicContact CG1-CE1 3.8Å |
| 320 | K | 87.7 | Confident | 70.9 | Confident | 193 Ų | 193 | 106.2 Ų | 106.2 | 84% | 0.839 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 90.7 | 171.1 | -74 | -176.5 | 178.9 | 177.6 | 0 | 109.5 | D329 L330 | K320-D329 CarbonylContact C-O 3.4Å; K320-D329 WeakPolarHBondContact CA-O 3.32Å; K320-L330 HydrophobicContact CG-CD2 4.37Å |
| 321 | R | 85.5 | Confident | 73.6 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | trans | -138.6 | 134.5 | 176.6 | -168.1 | -171.9 | -173.7 | 111.2 | -2 | 108.5 | V319 D329 L330 M331 E358 E360 | V319-R321 HydrophobicContact CG1-CB 4.19Å; V319-R321 PolarHBondContact O-N 2.83Å; R321-D329 PolarHBondContact N-O 3.18Å; R321-D329 CarbonylContact O-C 3.54Å; R321-L330 PolarHBondContact O-N 3.47Å; R321-M331 HydrophobicContact CB-CG 4.37Å; R321-M331 HydrophobicContact CB-SD 4.29Å; R321-M331 HydrophobicContact CG-SD 4.23Å; R321-M331 WeakPolarHBondContact O-CG 3.38Å; R321-E358 IonicContact NE-OE2 3.12Å; R321-E360 IonicContact CZ-OE2 3.63Å; R321-E360 IonicContact NH1-OE2 2.77Å; R321-E360 PolarHBondContact NH1-OE2 2.75Å; R321-E360 IonicContact NH2-OE2 3.15Å; R321-E360 PolarHBondContact NH2-OE2 2.82Å | ||
| 322 | K | 89.2 | Confident | 76.1 | Confident | 139 Ų | 139 | 92.3 Ų | 92.3 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | trans | -82.4 | 119.4 | -178.9 | -169.4 | 173.1 | -174 | 178.8 | 0 | 110.6 | T324 H328 D329 | K322-T324 PolarHBondContact O-N 2.88Å; K322-H328 WeakPolarHBondContact CA-O 3.26Å; K322-D329 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 323 | C | 89.9 | Confident | 79 | Confident | 2 Ų | 2 | 88.7 Ų | 88.7 | 1% | 0.014 | 45% | 0.449 | C | S | . | . | trans | -64.8 | 126.6 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | R325 G327 H328 M331 C351 | C323-R325 PolarHBondContact O-N 3.07Å; C323-R325 PolarHBondContact SG-N 3.08Å; C323-R325 VanDerWaalsContact SG-N 3.42Å; C323-G327 VanDerWaalsContact O-CA 3.26Å; C323-G327 WeakPolarHBondContact O-CA 3.35Å; C323-G327 PolarHBondContact O-N 3.36Å; C323-H328 PolarHBondContact N-O 3.43Å; C323-M331 HydrophobicContact CB-CE 4.29Å; C323-M331 HydrophobicContact CB-CG 4.44Å; C323-M331 HydrophobicContact CB-SD 4.15Å; C323-C351 HydrophobicContact CB-CB 3.87Å; C323-C351 VanDerWaalsContact CB-SG 3.53Å | ||
| 324 | T | 89.1 | Confident | 81.2 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 72% | 0.724 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.9 | 179.1 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | K322 E358 | K322-T324 PolarHBondContact O-N 2.88Å; T324-E358 VanDerWaalsContact CB-OE1 3.32Å; T324-E358 WeakPolarHBondContact CB-OE1 3.27Å; T324-E358 VanDerWaalsContact CG2-OE1 3.3Å; T324-E358 WeakPolarHBondContact CG2-OE1 3.25Å; T324-E358 PolarHBondContact N-OE1 3.25Å; T324-E358 PolarHBondContact OG1-OE1 3.21Å |
| 325 | R | 87.7 | Confident | 83.3 | Confident | 175 Ų | 175 | 78.3 Ų | 78.3 | 66% | 0.66 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -49.5 | -179.6 | -176.6 | -175.6 | -94.4 | -159.3 | 2.5 | 114 | C323 E356 | C323-R325 PolarHBondContact O-N 3.07Å; C323-R325 PolarHBondContact SG-N 3.08Å; C323-R325 VanDerWaalsContact SG-N 3.42Å; R325-E356 HydrophobicContact CB-CB 4.11Å; R325-E356 HydrophobicContact CB-CG 3.94Å; R325-E356 WeakPolarHBondContact CD-OE2 3.21Å; R325-E356 IonicContact CZ-OE2 2.93Å; R325-E356 IonicContact NE-OE2 2.91Å; R325-E356 PolarHBondContact NE-OE2 3.46Å; R325-E356 IonicContact NH1-OE2 3.38Å; R325-E356 PolarHBondContact NH1-OE2 2.81Å; R325-E356 IonicContact NH2-OE2 3.32Å; R325-E356 PolarHBondContact NH2-OE2 3.33Å |
| 326 | C | 90.1 | Very high | 85 | Confident | 50 Ų | 50 | 81.5 Ų | 81.5 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -5.5 | -171.9 | 74.9 | 0 | 0 | 0 | 0 | 114.8 | H328 C351 C354 | C326-H328 PolarHBondContact O-N 3.15Å; C326-H328 VanDerWaalsContact SG-CB 3.51Å; C326-C351 PolarHBondContact SG-SG 3.45Å; C326-C354 HydrophobicContact CB-CB 3.9Å; C326-C354 PolarHBondContact SG-SG 3.44Å |
| 327 | G | 86.2 | Confident | 86.1 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 34% | 0.34 | 41% | 0.414 | S | S | . | . | trans | 70.8 | 11.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C323 | C323-G327 VanDerWaalsContact O-CA 3.26Å; C323-G327 WeakPolarHBondContact O-CA 3.35Å; C323-G327 PolarHBondContact O-N 3.36Å | ||
| 328 | H | 88.2 | Confident | 86.3 | Confident | 59 Ų | 59 | 82.7 Ų | 82.7 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | trans | -73.5 | 132.3 | 175.7 | -171.2 | 54 | 0 | 0 | 0 | 111.1 | K322 C323 C326 L330 K353 | K322-H328 WeakPolarHBondContact CA-O 3.26Å; C323-H328 PolarHBondContact N-O 3.43Å; C326-H328 PolarHBondContact O-N 3.15Å; C326-H328 VanDerWaalsContact SG-CB 3.51Å; H328-L330 VanDerWaalsContact C-N 3.28Å; H328-L330 PolarHBondContact CD2-O 2.76Å; H328-L330 VanDerWaalsContact CD2-O 3.31Å; H328-L330 PolarHBondContact O-N 2.97Å; H328-K353 HydrophobicContact CB-CB 3.86Å; H328-K353 HydrophobicContact CB-CD 4.07Å | ||
| 329 | D | 89.2 | Confident | 86.2 | Confident | 99 Ų | 99 | 85 Ų | 85 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -82.6 | 5.2 | -170.7 | -59.6 | -39.4 | 0 | 0 | 0 | 115.1 | K320 R321 K322 | K320-D329 CarbonylContact C-O 3.4Å; K320-D329 WeakPolarHBondContact CA-O 3.32Å; R321-D329 PolarHBondContact N-O 3.18Å; R321-D329 CarbonylContact O-C 3.54Å; K322-D329 WeakPolarHBondContact CG-OD1 3.23Å |
| 330 | L | 86.2 | Confident | 85.8 | Confident | 68 Ų | 68 | 85.3 Ų | 85.3 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.5 | 178.6 | -74.4 | 160.1 | 0 | 0 | 0 | 110.9 | K320 R321 H328 L352 | K320-L330 HydrophobicContact CG-CD2 4.37Å; R321-L330 PolarHBondContact O-N 3.47Å; H328-L330 VanDerWaalsContact C-N 3.28Å; H328-L330 PolarHBondContact CD2-O 2.76Å; H328-L330 VanDerWaalsContact CD2-O 3.31Å; H328-L330 PolarHBondContact O-N 2.97Å; L330-L352 HydrophobicContact CB-CD1 3.84Å; L330-L352 PolarHBondContact O-N 3Å |
| 331 | M | 90.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.8 | 172.3 | -56.5 | -174.4 | 81.3 | 0 | 0 | 108.7 | T318 V319 R321 C323 F349 T350 C351 E358 | T318-M331 WeakPolarHBondContact CA-O 3.21Å; V319-M331 WeakPolarHBondContact CG1-O 3.38Å; V319-M331 PolarHBondContact N-O 3.29Å; V319-M331 PolarHBondContact O-N 3.47Å; V319-M331 VanDerWaalsContact O-N 3.14Å; R321-M331 HydrophobicContact CB-CG 4.37Å; R321-M331 HydrophobicContact CB-SD 4.29Å; R321-M331 HydrophobicContact CG-SD 4.23Å; R321-M331 WeakPolarHBondContact O-CG 3.38Å; C323-M331 HydrophobicContact CB-CE 4.29Å; C323-M331 HydrophobicContact CB-CG 4.44Å; C323-M331 HydrophobicContact CB-SD 4.15Å; M331-F349 HydrophobicContact CB-CB 4.26Å; M331-F349 HydrophobicContact CE-CB 3.88Å; M331-F349 HydrophobicContact SD-CB 4.08Å; M331-T350 CarbonylContact C-O 3.5Å; M331-T350 VanDerWaalsContact CA-O 3.26Å; M331-T350 WeakPolarHBondContact CA-O 3.49Å; M331-T350 WeakPolarHBondContact CB-O 3.47Å; M331-C351 HydrophobicContact CE-CB 3.93Å; M331-C351 HydrophobicContact CG-CB 4.42Å; M331-E358 HydrophobicContact CE-CB 4.36Å; M331-E358 HydrophobicContact CE-CG 3.99Å |
| 332 | S | 86.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 83.3 Ų | 83.3 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 152.6 | 162.4 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | H316 V317 F349 T350 | H316-S332 VanDerWaalsContact CB-CB 3.49Å; V317-S332 WeakPolarHBondContact O-CA 3.4Å; S332-F349 CarbonylContact O-C 3.56Å; S332-F349 WeakPolarHBondContact O-CA 3.23Å; S332-T350 PolarHBondContact N-O 3.09Å; S332-T350 PolarHBondContact O-N 3.03Å; S332-T350 WeakPolarHBondContact OG-CB 3.48Å |
| 333 | Y | 89.7 | Confident | 84.2 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.5 | 167.7 | 81.2 | -87.4 | 0 | 0 | 0 | 110.9 | V317 V319 T335 V347 F348 F349 | V317-Y333 HydrophobicContact CB-CD1 4.22Å; V317-Y333 HydrophobicContact CB-CE1 3.71Å; V317-Y333 HydrophobicContact CG1-CD1 4.21Å; V317-Y333 HydrophobicContact CG1-CE1 3.36Å; V317-Y333 WeakPolarHBondContact O-CD1 3.49Å; V317-Y333 PolarHBondContact O-N 3.42Å; V319-Y333 HydrophobicContact CB-CD1 4.19Å; V319-Y333 HydrophobicContact CG1-CD1 4.26Å; Y333-T335 HydrophobicContact CD2-CG2 3.8Å; Y333-T335 HydrophobicContact CE2-CG2 3.87Å; Y333-V347 HydrophobicContact CD2-CG1 4.04Å; Y333-V347 HydrophobicContact CG-CG1 4.4Å; Y333-F348 CarbonylContact C-O 3.58Å; Y333-F348 VanDerWaalsContact CA-O 3.26Å; Y333-F348 WeakPolarHBondContact CA-O 3.48Å; Y333-F349 HydrophobicContact CG-CE1 4.42Å |
| 334 | S | 82.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 82.3 Ų | 82.3 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.2 | 165.8 | 55.6 | 0 | 0 | 0 | 0 | 108.4 | F348 | S334-F348 PolarHBondContact N-O 3.3Å; S334-F348 PolarHBondContact O-N 3.32Å |
| 335 | T | 86.4 | Confident | 83.2 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 36% | 0.362 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139 | -176 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | Y333 M345 T346 V347 | Y333-T335 HydrophobicContact CD2-CG2 3.8Å; Y333-T335 HydrophobicContact CE2-CG2 3.87Å; T335-M345 WeakPolarHBondContact CB-SD 3.35Å; T335-M345 HydrophobicContact CG2-CE 3.59Å; T335-M345 HydrophobicContact CG2-SD 4.24Å; T335-M345 WeakPolarHBondContact OG1-CE 3Å; T335-M345 PolarHBondContact OG1-SD 3.01Å; T335-T346 WeakPolarHBondContact CA-O 3.48Å; T335-V347 HydrophobicContact CG2-CB 4.5Å; T335-V347 HydrophobicContact CG2-CG1 4.18Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å |
| 336 | R | 80.8 | Confident | 83.2 | Confident | 185 Ų | 185 | 72.7 Ų | 72.7 | 70% | 0.698 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.3 | -179.7 | -138.2 | 176.8 | -178.2 | 158.3 | 1.5 | 110.2 | T338 T346 F348 | R336-T338 PolarHBondContact O-N 2.99Å; R336-T346 PolarHBondContact N-O 2.63Å; R336-T346 PolarHBondContact O-N 3.31Å; R336-F348 HydrophobicContact CB-CD2 4.27Å; R336-F348 HydrophobicContact CB-CE2 3.68Å |
| 337 | Q | 80.9 | Confident | 83 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | trans | -77.9 | 117.6 | 170.9 | -157.5 | 137 | 9.5 | 0 | 0 | 108.5 | ||||
| 338 | T | 78.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | trans | -113.4 | -6.4 | -176.1 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | R336 T346 F348 | R336-T338 PolarHBondContact O-N 2.99Å; T338-T346 HydrophobicContact CG2-CG2 4.41Å; T338-T346 PolarHBondContact OG1-OG1 2.87Å; T338-F348 HydrophobicContact CG2-CE2 4.09Å; T338-F348 HydrophobicContact CG2-CZ 3.81Å | ||
| 339 | R | 80.8 | Confident | 83.3 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -139.5 | -170.5 | -173.2 | -63.4 | -179.4 | -174.7 | -175 | 5.7 | 109.9 | E343 | R339-E343 HydrophobicContact CB-CB 4.13Å; R339-E343 HydrophobicContact CB-CG 4.44Å; R339-E343 VanDerWaalsContact CD-CD 3.45Å; R339-E343 WeakPolarHBondContact CD-OE2 3.45Å; R339-E343 IonicContact CZ-OE2 3.56Å; R339-E343 IonicContact NE-OE2 3.61Å; R339-E343 IonicContact NH1-OE1 3.92Å; R339-E343 IonicContact NH1-OE2 2.75Å; R339-E343 PolarHBondContact NH1-OE2 3.43Å |
| 340 | S | 77.7 | Confident | 83.2 | Confident | 54 Ų | 54 | 67 Ų | 67 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | trans | -60.8 | 161 | -178.3 | 48 | 0 | 0 | 0 | 0 | 112.3 | D342 E343 | S340-D342 WeakPolarHBondContact CB-OD1 3.21Å; S340-D342 PolarHBondContact O-N 2.86Å; S340-D342 VanDerWaalsContact O-N 3.1Å; S340-D342 VanDerWaalsContact OG-CG 3.32Å; S340-D342 PolarHBondContact OG-OD1 3.3Å; S340-D342 PolarHBondContact OG-OD2 3.4Å; S340-E343 PolarHBondContact O-N 3.04Å | ||
| 341 | A | 74.1 | Confident | 83.4 | Confident | 93 Ų | 93 | 64 Ų | 64 | 77% | 0.769 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 342 | D | 79.9 | Confident | 83.2 | Confident | 139 Ų | 139 | 68.1 Ų | 68.1 | 74% | 0.743 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.7 | 178.2 | 32.5 | -59.7 | 0 | 0 | 0 | 114.1 | S340 | S340-D342 WeakPolarHBondContact CB-OD1 3.21Å; S340-D342 PolarHBondContact O-N 2.86Å; S340-D342 VanDerWaalsContact O-N 3.1Å; S340-D342 VanDerWaalsContact OG-CG 3.32Å; S340-D342 PolarHBondContact OG-OD1 3.3Å; S340-D342 PolarHBondContact OG-OD2 3.4Å |
| 343 | E | 73.2 | Confident | 83.1 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -102.3 | 148.3 | 174.8 | -67.1 | -168.2 | -141.5 | 0 | 0 | 112.3 | R339 S340 | R339-E343 HydrophobicContact CB-CB 4.13Å; R339-E343 HydrophobicContact CB-CG 4.44Å; R339-E343 VanDerWaalsContact CD-CD 3.45Å; R339-E343 WeakPolarHBondContact CD-OE2 3.45Å; R339-E343 IonicContact CZ-OE2 3.56Å; R339-E343 IonicContact NE-OE2 3.61Å; R339-E343 IonicContact NH1-OE1 3.92Å; R339-E343 IonicContact NH1-OE2 2.75Å; R339-E343 PolarHBondContact NH1-OE2 3.43Å; S340-E343 PolarHBondContact O-N 3.04Å |
| 344 | G | 77.3 | Confident | 83 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 159.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T346 | G344-T346 PolarHBondContact O-N 3.28Š|
| 345 | M | 82.3 | Confident | 83.1 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 134.4 | 177.2 | -169.7 | 170.5 | 56.5 | 0 | 0 | 110.3 | T335 S362 | T335-M345 WeakPolarHBondContact CB-SD 3.35Å; T335-M345 HydrophobicContact CG2-CE 3.59Å; T335-M345 HydrophobicContact CG2-SD 4.24Å; T335-M345 WeakPolarHBondContact OG1-CE 3Å; T335-M345 PolarHBondContact OG1-SD 3.01Å; M345-S362 VanDerWaalsContact O-CB 3.28Å; M345-S362 WeakPolarHBondContact O-CB 3.33Å; M345-S362 PolarHBondContact O-OG 2.99Å |
| 346 | T | 86.3 | Confident | 83.3 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.8 | 175.7 | -68.8 | 0 | 0 | 0 | 0 | 109.9 | T335 R336 T338 G344 F348 I359 H361 | T335-T346 WeakPolarHBondContact CA-O 3.48Å; R336-T346 PolarHBondContact N-O 2.63Å; R336-T346 PolarHBondContact O-N 3.31Å; T338-T346 HydrophobicContact CG2-CG2 4.41Å; T338-T346 PolarHBondContact OG1-OG1 2.87Å; G344-T346 PolarHBondContact O-N 3.28Å; T346-F348 HydrophobicContact CG2-CE2 3.94Å; T346-F348 HydrophobicContact CG2-CZ 4.02Å; T346-I359 HydrophobicContact CG2-CG2 3.38Å; T346-H361 PolarHBondContact OG1-ND1 3.17Å; T346-H361 VanDerWaalsContact OG1-ND1 3.14Å |
| 347 | V | 87.6 | Confident | 83.6 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 12% | 0.121 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128 | -178.4 | -170 | 0 | 0 | 0 | 0 | 109.6 | Y333 T335 F349 I359 E360 | Y333-V347 HydrophobicContact CD2-CG1 4.04Å; Y333-V347 HydrophobicContact CG-CG1 4.4Å; T335-V347 HydrophobicContact CG2-CB 4.5Å; T335-V347 HydrophobicContact CG2-CG1 4.18Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; V347-F349 HydrophobicContact CB-CE2 4.02Å; V347-F349 HydrophobicContact CB-CZ 4.11Å; V347-F349 HydrophobicContact CG1-CD2 4.32Å; V347-F349 HydrophobicContact CG1-CE1 3.85Å; V347-F349 HydrophobicContact CG1-CE2 3.63Å; V347-F349 HydrophobicContact CG1-CZ 3.36Å; V347-I359 WeakPolarHBondContact O-CA 3.27Å; V347-E360 PolarHBondContact N-O 3.19Å; V347-E360 PolarHBondContact O-N 3.24Å |
| 348 | F | 88.9 | Confident | 84 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 23% | 0.228 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.4 | 178.1 | -62.5 | -94.5 | 0 | 0 | 0 | 109.5 | Y333 S334 R336 T338 T346 E358 I359 | Y333-F348 CarbonylContact C-O 3.58Å; Y333-F348 VanDerWaalsContact CA-O 3.26Å; Y333-F348 WeakPolarHBondContact CA-O 3.48Å; S334-F348 PolarHBondContact N-O 3.3Å; S334-F348 PolarHBondContact O-N 3.32Å; R336-F348 HydrophobicContact CB-CD2 4.27Å; R336-F348 HydrophobicContact CB-CE2 3.68Å; T338-F348 HydrophobicContact CG2-CE2 4.09Å; T338-F348 HydrophobicContact CG2-CZ 3.81Å; T346-F348 HydrophobicContact CG2-CE2 3.94Å; T346-F348 HydrophobicContact CG2-CZ 4.02Å; F348-E358 CarbonylContact C-O 3.57Å; F348-I359 HydrophobicContact CD1-CD1 4.21Å; F348-I359 HydrophobicContact CD1-CG1 3.86Å; F348-I359 HydrophobicContact CE1-CD1 3.92Å; F348-I359 HydrophobicContact CE1-CG1 4.04Å; F348-I359 HydrophobicContact CE1-CG2 4.35Å |
| 349 | F | 90.8 | Very high | 84.4 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 138.7 | 174.3 | -57.6 | -82.5 | 0 | 0 | 0 | 110.7 | V319 M331 S332 Y333 V347 K357 E358 E360 | V319-F349 HydrophobicContact CG1-CD1 3.76Å; V319-F349 HydrophobicContact CG1-CE1 3.8Å; M331-F349 HydrophobicContact CB-CB 4.26Å; M331-F349 HydrophobicContact CE-CB 3.88Å; M331-F349 HydrophobicContact SD-CB 4.08Å; S332-F349 CarbonylContact O-C 3.56Å; S332-F349 WeakPolarHBondContact O-CA 3.23Å; Y333-F349 HydrophobicContact CG-CE1 4.42Å; V347-F349 HydrophobicContact CB-CE2 4.02Å; V347-F349 HydrophobicContact CB-CZ 4.11Å; V347-F349 HydrophobicContact CG1-CD2 4.32Å; V347-F349 HydrophobicContact CG1-CE1 3.85Å; V347-F349 HydrophobicContact CG1-CE2 3.63Å; V347-F349 HydrophobicContact CG1-CZ 3.36Å; F349-K357 CarbonylContact O-C 3.57Å; F349-K357 WeakPolarHBondContact O-CA 3.13Å; F349-E358 HydrophobicContact CB-CB 4.28Å; F349-E358 PolarHBondContact N-O 3.13Å; F349-E358 PolarHBondContact O-N 2.69Å; F349-E360 HydrophobicContact CE2-CB 3.84Å |
| 350 | T | 87.9 | Confident | 84.5 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.2 | 173.6 | -53.5 | 0 | 0 | 0 | 0 | 110 | M331 S332 L352 E356 K357 | M331-T350 CarbonylContact C-O 3.5Å; M331-T350 VanDerWaalsContact CA-O 3.26Å; M331-T350 WeakPolarHBondContact CA-O 3.49Å; M331-T350 WeakPolarHBondContact CB-O 3.47Å; S332-T350 PolarHBondContact N-O 3.09Å; S332-T350 PolarHBondContact O-N 3.03Å; S332-T350 WeakPolarHBondContact OG-CB 3.48Å; T350-L352 PolarHBondContact O-N 3.35Å; T350-E356 CarbonylContact C-O 3.5Å; T350-E356 WeakPolarHBondContact CA-O 3.33Å; T350-K357 HydrophobicContact CG2-CG 4.19Å |
| 351 | C | 90 | Very high | 84.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 125.5 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | C323 C326 M331 K353 C354 G355 E356 | C323-C351 HydrophobicContact CB-CB 3.87Å; C323-C351 VanDerWaalsContact CB-SG 3.53Å; C326-C351 PolarHBondContact SG-SG 3.45Å; M331-C351 HydrophobicContact CE-CB 3.93Å; M331-C351 HydrophobicContact CG-CB 4.42Å; C351-K353 PolarHBondContact O-N 3.32Å; C351-K353 PolarHBondContact SG-N 2.96Å; C351-K353 VanDerWaalsContact SG-N 3.42Å; C351-C354 VanDerWaalsContact SG-SG 3.6Å; C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.39Å; C351-G355 PolarHBondContact O-N 3.4Å; C351-E356 HydrophobicContact CB-CB 4.41Å; C351-E356 PolarHBondContact N-O 2.67Å |
| 352 | L | 85.8 | Confident | 84.1 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.3 | 179.5 | -59.1 | 178.2 | 0 | 0 | 0 | 113.8 | T318 L330 T350 | T318-L352 HydrophobicContact CG2-CD1 3.51Å; T318-L352 HydrophobicContact CG2-CD2 4.27Å; T318-L352 HydrophobicContact CG2-CG 4.4Å; L330-L352 HydrophobicContact CB-CD1 3.84Å; L330-L352 PolarHBondContact O-N 3Å; T350-L352 PolarHBondContact O-N 3.35Å |
| 353 | K | 84.5 | Confident | 84.3 | Confident | 155 Ų | 155 | 65.9 Ų | 65.9 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -43.3 | -177.9 | -169.5 | 179.5 | -178.2 | -173.6 | 0 | 113.8 | H328 C351 | H328-K353 HydrophobicContact CB-CB 3.86Å; H328-K353 HydrophobicContact CB-CD 4.07Å; C351-K353 PolarHBondContact O-N 3.32Å; C351-K353 PolarHBondContact SG-N 2.96Å; C351-K353 VanDerWaalsContact SG-N 3.42Å |
| 354 | C | 88.6 | Confident | 84.9 | Confident | 49 Ų | 49 | 65 Ų | 65 | 33% | 0.331 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -7.6 | -175.3 | 72.5 | 0 | 0 | 0 | 0 | 114.7 | C326 C351 E356 | C326-C354 HydrophobicContact CB-CB 3.9Å; C326-C354 PolarHBondContact SG-SG 3.44Å; C351-C354 VanDerWaalsContact SG-SG 3.6Å; C354-E356 PolarHBondContact O-N 2.87Å; C354-E356 VanDerWaalsContact SG-CB 3.58Å |
| 355 | G | 84.1 | Confident | 85.3 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | trans | 75.5 | 2.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | C351 K357 | C351-G355 VanDerWaalsContact O-CA 3.3Å; C351-G355 WeakPolarHBondContact O-CA 3.39Å; C351-G355 PolarHBondContact O-N 3.4Å; G355-K357 PolarHBondContact O-N 2.53Å | ||
| 356 | E | 89 | Confident | 85.5 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | trans | -60.9 | 136.3 | 178.2 | -167.5 | 65.3 | -167.1 | 0 | 0 | 111.2 | R325 T350 C351 C354 | R325-E356 HydrophobicContact CB-CB 4.11Å; R325-E356 HydrophobicContact CB-CG 3.94Å; R325-E356 WeakPolarHBondContact CD-OE2 3.21Å; R325-E356 IonicContact CZ-OE2 2.93Å; R325-E356 IonicContact NE-OE2 2.91Å; R325-E356 PolarHBondContact NE-OE2 3.46Å; R325-E356 IonicContact NH1-OE2 3.38Å; R325-E356 PolarHBondContact NH1-OE2 2.81Å; R325-E356 IonicContact NH2-OE2 3.32Å; R325-E356 PolarHBondContact NH2-OE2 3.33Å; T350-E356 CarbonylContact C-O 3.5Å; T350-E356 WeakPolarHBondContact CA-O 3.33Å; C351-E356 HydrophobicContact CB-CB 4.41Å; C351-E356 PolarHBondContact N-O 2.67Å; C354-E356 PolarHBondContact O-N 2.87Å; C354-E356 VanDerWaalsContact SG-CB 3.58Å | ||
| 357 | K | 88 | Confident | 85.5 | Confident | 148 Ų | 148 | 69.1 Ų | 69.1 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.6 | 179 | -65.3 | -174.7 | 179.2 | -176.9 | 0 | 111 | F349 T350 G355 | F349-K357 CarbonylContact O-C 3.57Å; F349-K357 WeakPolarHBondContact O-CA 3.13Å; T350-K357 HydrophobicContact CG2-CG 4.19Å; G355-K357 PolarHBondContact O-N 2.53Å |
| 358 | E | 88.6 | Confident | 85.3 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.2 | 174.9 | -63.9 | 174.5 | -169.7 | 0 | 0 | 109 | R321 T324 M331 F348 F349 | R321-E358 IonicContact NE-OE2 3.12Å; T324-E358 VanDerWaalsContact CB-OE1 3.32Å; T324-E358 WeakPolarHBondContact CB-OE1 3.27Å; T324-E358 VanDerWaalsContact CG2-OE1 3.3Å; T324-E358 WeakPolarHBondContact CG2-OE1 3.25Å; T324-E358 PolarHBondContact N-OE1 3.25Å; T324-E358 PolarHBondContact OG1-OE1 3.21Å; M331-E358 HydrophobicContact CE-CB 4.36Å; M331-E358 HydrophobicContact CE-CG 3.99Å; F348-E358 CarbonylContact C-O 3.57Å; F349-E358 HydrophobicContact CB-CB 4.28Å; F349-E358 PolarHBondContact N-O 3.13Å; F349-E358 PolarHBondContact O-N 2.69Å |
| 359 | I | 86.7 | Confident | 85.1 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 52% | 0.518 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.8 | -178.1 | -53.8 | 175.9 | 0 | 0 | 0 | 108.1 | T346 V347 F348 | T346-I359 HydrophobicContact CG2-CG2 3.38Å; V347-I359 WeakPolarHBondContact O-CA 3.27Å; F348-I359 HydrophobicContact CD1-CD1 4.21Å; F348-I359 HydrophobicContact CD1-CG1 3.86Å; F348-I359 HydrophobicContact CE1-CD1 3.92Å; F348-I359 HydrophobicContact CE1-CG1 4.04Å; F348-I359 HydrophobicContact CE1-CG2 4.35Å |
| 360 | E | 84.2 | Confident | 84.6 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 38% | 0.383 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.4 | 172.7 | -171 | 170.8 | 165.3 | 0 | 0 | 109.4 | R321 V347 F349 | R321-E360 IonicContact CZ-OE2 3.63Å; R321-E360 IonicContact NH1-OE2 2.77Å; R321-E360 PolarHBondContact NH1-OE2 2.75Å; R321-E360 IonicContact NH2-OE2 3.15Å; R321-E360 PolarHBondContact NH2-OE2 2.82Å; V347-E360 PolarHBondContact N-O 3.19Å; V347-E360 PolarHBondContact O-N 3.24Å; F349-E360 HydrophobicContact CE2-CB 3.84Å |
| 361 | H | 77.7 | Confident | 84.4 | Confident | 108 Ų | 108 | 81.9 Ų | 81.9 | 50% | 0.5 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 120.8 | 173.9 | -59.8 | -60.2 | 0 | 0 | 0 | 107.8 | T346 | T346-H361 PolarHBondContact OG1-ND1 3.17Å; T346-H361 VanDerWaalsContact OG1-ND1 3.14Å |
| 362 | S | 65.5 | Low | 83.9 | Confident | 119 Ų | 119 | 89.1 Ų | 89.1 | 83% | 0.832 | 47% | 0.473 | S | S | * | . | trans | -82.6 | 0 | 177.1 | -40.3 | 0 | 0 | 0 | 0 | 111.7 | M345 | M345-S362 VanDerWaalsContact O-CB 3.28Å; M345-S362 WeakPolarHBondContact O-CB 3.33Å; M345-S362 PolarHBondContact O-OG 2.99Å |
Retrieved 362 of 362 residues in 203.2 ms
(Link to these results)