| 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 | 35.7 | Very low | 38.1 | Very low | 239 Ų | 239 | 150.8 Ų | 150.8 | 100% | 1.177 | 87% | 0.865 | S | S | * | * | 0 | 115.8 | 0 | -61.4 | 171 | -171.7 | 0 | 0 | 105.5 | |||||
| 2 | A | 35 | Very low | 38.1 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 82% | 0.818 | 87% | 0.869 | S | S | * | * | 66.3 | 134.2 | 89.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 3 | N | 32.8 | Very low | 38.5 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 76% | 0.759 | 87% | 0.87 | S | S | * | * | cis | -149.4 | 175.6 | 12.6 | -158.6 | 3.2 | 0 | 0 | 0 | 112.9 | ||||
| 4 | K | 43.3 | Very low | 39 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 84% | 0.835 | 86% | 0.861 | S | S | * | * | trans | -45.2 | 144.5 | 178.4 | -58.9 | 156.4 | -177.9 | 178.7 | 0 | 115.6 | ||||
| 5 | S | 34.9 | Very low | 38.9 | Very low | 131 Ų | 131 | 157.9 Ų | 157.9 | 92% | 0.916 | 87% | 0.865 | S | S | * | * | -144.7 | 147.1 | 127.4 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 6 | G | 37.1 | Very low | 39.4 | Very low | 61 Ų | 61 | 158.5 Ų | 158.5 | 63% | 0.629 | 87% | 0.865 | S | S | * | * | trans | -175.4 | 174.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 7 | V | 46.5 | Very low | 39.5 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 87% | 0.873 | 86% | 0.863 | S | S | * | * | trans | 62.1 | 76.1 | 174.1 | -164 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 8 | L | 35.1 | Very low | 39.5 | Very low | 166 Ų | 166 | 161.7 Ų | 161.7 | 87% | 0.869 | 87% | 0.865 | S | S | * | * | trans | -154.9 | 40.7 | 157.8 | -148.3 | 83.7 | 0 | 0 | 0 | 114.9 | ||||
| 9 | H | 37 | Very low | 39.2 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 88% | 0.884 | 87% | 0.871 | S | S | * | * | S | Bend | trans | -144.7 | 41.9 | -176.1 | -111.7 | 60.1 | 0 | 0 | 0 | 114.6 | ||
| 10 | S | 40.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 161.6 Ų | 161.6 | 85% | 0.846 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -147.5 | 22.1 | -177.3 | -46.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 11 | L | 41 | Very low | 39.5 | Very low | 173 Ų | 173 | 159.4 Ų | 159.4 | 91% | 0.906 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -129.7 | 23.3 | -175.2 | -99.4 | 168.7 | 0 | 0 | 0 | 114.4 | ||
| 12 | M | 37.7 | Very low | 39.8 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -134.6 | 54.8 | -178.4 | -84 | -68.7 | -172.2 | 0 | 0 | 112.3 | ||
| 13 | L | 43.6 | Very low | 40.2 | Very low | 167 Ų | 167 | 162.3 Ų | 162.3 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -144.7 | 6.9 | 177.9 | -110.8 | 170.7 | 0 | 0 | 0 | 116.2 | ||
| 14 | I | 45.7 | Very low | 40.8 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -131.5 | 62.5 | -179.2 | -44 | -179.5 | 0 | 0 | 0 | 111.4 | ||
| 15 | F | 38.1 | Very low | 41.3 | Very low | 210 Ų | 210 | 152.8 Ų | 152.8 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -147.6 | 16.1 | 169.6 | -91.4 | -62.7 | 0 | 0 | 0 | 115.1 | ||
| 16 | I | 45.8 | Very low | 42.1 | Very low | 167 Ų | 167 | 150 Ų | 150 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -121.2 | 43 | -177.3 | -37.9 | -177 | 0 | 0 | 0 | 112.5 | ||
| 17 | T | 42.4 | Very low | 43.4 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -138.1 | 19.6 | 173.3 | 43.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 18 | W | 37.9 | Very low | 44.9 | Very low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -136.5 | 48.9 | 172.7 | -144.7 | -9 | 0 | 0 | 0 | 115 | ||||
| 19 | R | 34.3 | Very low | 47.5 | Very low | 260 Ų | 260 | 143.7 Ų | 143.7 | 98% | 0.981 | 73% | 0.734 | S | S | * | * | trans | -122.5 | 61.6 | 160.8 | -90.6 | -171.4 | 165.8 | -163.9 | -3.6 | 110.2 | ||||
| 20 | G | 41.8 | Very low | 50.1 | Low | 60 Ų | 60 | 138.1 Ų | 138.1 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -142.1 | 21.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 21 | N | 43.2 | Very low | 52.7 | Low | 116 Ų | 116 | 133.8 Ų | 133.8 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -164.9 | 162 | 165.9 | -109.8 | -86 | 0 | 0 | 0 | 108.1 | K58 | N21-K58 PolarHBondContact OD1-NZ 2.68Å; N21-K58 VanDerWaalsContact OD1-NZ 3.14Å |
| 22 | M | 41.2 | Very low | 55.3 | Low | 158 Ų | 158 | 125.6 Ų | 125.6 | 78% | 0.778 | 64% | 0.637 | S | S | * | * | trans | 73.7 | 96.7 | -167.1 | -56.1 | -53.8 | -175.1 | 0 | 0 | 114.8 | ||||
| 23 | R | 43.3 | Very low | 58.1 | Low | 241 Ų | 241 | 119.8 Ų | 119.8 | 91% | 0.909 | 61% | 0.608 | S | S | * | * | trans | -128.3 | -11.4 | 167.4 | -122.3 | -174 | -173.2 | -169 | 1.6 | 115.4 | ||||
| 24 | C | 46.9 | Very low | 60.6 | Low | 15 Ų | 15 | 117.4 Ų | 117.4 | 10% | 0.101 | 60% | 0.596 | C | S | . | * | trans | -90.1 | 103.5 | 158.6 | -78.3 | 0 | 0 | 0 | 0 | 109 | C55 M59 | C24-C55 HydrophobicContact CB-CB 3.54Å; C24-C55 WeakPolarHBondContact CB-SG 3.39Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.89Å; C24-M59 HydrophobicContact CB-CE 4.11Å; C24-M59 WeakPolarHBondContact O-CE 3.36Å | ||
| 25 | C | 53 | Low | 63 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | 170.1 | 64.7 | 153.5 | -97.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 26 | A | 51.4 | Low | 65.8 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -159.2 | 66.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | T28 | A26-T28 PolarHBondContact O-N 3.14Š|
| 27 | I | 64.3 | Low | 68.2 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 68.5 | -26 | 173 | -56.7 | 160.9 | 0 | 0 | 0 | 115.8 | I116 | I27-I116 VanDerWaalsContact O-CD1 3.22Å; I27-I116 WeakPolarHBondContact O-CD1 3.44Å; I27-I116 VanDerWaalsContact O-CG2 3.25Å; I27-I116 WeakPolarHBondContact O-CG2 3.44Å |
| 28 | T | 79.3 | Confident | 70.7 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | trans | -98 | 161.9 | 177.7 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | A26 | A26-T28 PolarHBondContact O-N 3.14Š| ||
| 29 | V | 88.8 | Confident | 73.2 | Confident | 7 Ų | 7 | 88.4 Ų | 88.4 | 4% | 0.042 | 47% | 0.472 | C | S | . | . | trans | -134.3 | 141 | 173 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | L56 T104 L106 I116 S118 | V29-L56 HydrophobicContact CG2-CD1 4.15Å; V29-L56 HydrophobicContact CG2-CD2 4.48Å; V29-T104 HydrophobicContact CG1-CG2 4.28Å; V29-T104 HydrophobicContact CG2-CG2 3.73Å; V29-L106 HydrophobicContact CB-CD1 3.93Å; V29-L106 HydrophobicContact CB-CG 4.43Å; V29-L106 HydrophobicContact CG2-CD1 3.68Å; V29-L106 HydrophobicContact CG2-CG 4.06Å; V29-I116 HydrophobicContact CB-CG2 4.49Å; V29-I116 HydrophobicContact CG1-CG2 4Å; V29-S118 WeakPolarHBondContact O-CA 3.47Å; V29-S118 WeakPolarHBondContact O-CB 3.15Å | ||
| 30 | D | 92.3 | Very high | 75.7 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 150.8 | 177.9 | -66.1 | -47.9 | 0 | 0 | 0 | 112 | P53 T104 | D30-P53 HydrophobicContact CB-CB 3.9Å; D30-P53 HydrophobicContact CB-CG 4.49Å; D30-P53 WeakPolarHBondContact O-CG 3.43Å; D30-T104 WeakPolarHBondContact O-CB 3.25Å; D30-T104 PolarHBondContact O-OG1 2.91Å |
| 31 | P | 95.4 | Very high | 77.8 | Confident | 30 Ų | 30 | 77.4 Ų | 77.4 | 20% | 0.195 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 165.6 | 174.1 | 32.6 | -36.4 | 0 | 0 | 0 | 112.2 | P53 T104 N120 | P31-P53 WeakPolarHBondContact O-CG 3.2Å; P31-T104 WeakPolarHBondContact CA-OG1 3.36Å; P31-N120 HydrophobicContact CG-CB 4.38Å |
| 32 | P | 95.9 | Very high | 80.3 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 148.2 | -175.8 | -22 | 36.5 | 0 | 0 | 0 | 113.2 | W50 S51 Y66 V102 T104 T122 | P32-W50 HydrophobicContact CB-CB 4.15Å; P32-W50 HydrophobicContact CB-CG 4.18Å; P32-S51 WeakPolarHBondContact CB-O 3.02Å; P32-Y66 HydrophobicContact CB-CD1 4.38Å; P32-Y66 HydrophobicContact CB-CE1 4.32Å; P32-Y66 HydrophobicContact CG-CD1 3.68Å; P32-Y66 HydrophobicContact CG-CE1 3.98Å; P32-V102 WeakPolarHBondContact CD-O 3.31Å; P32-V102 HydrophobicContact CG-CB 4.04Å; P32-V102 HydrophobicContact CG-CG1 3.83Å; P32-T104 WeakPolarHBondContact CD-OG1 3.4Å; P32-T122 VanDerWaalsContact O-CB 3.25Å; P32-T122 WeakPolarHBondContact O-CB 3.21Å; P32-T122 PolarHBondContact O-OG1 3.13Å |
| 33 | E | 95.6 | Very high | 82.8 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 172.6 | -179.5 | -74.7 | 165.2 | -148.6 | 0 | 0 | 111 | L35 S51 P53 S54 | E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact O-N 3.08Å; E33-S51 PolarHBondContact N-O 3.48Å; E33-S51 PolarHBondContact O-N 3.36Å; E33-P53 WeakPolarHBondContact OE1-CA 3.43Å; E33-S54 VanDerWaalsContact CD-N 3.29Å; E33-S54 WeakPolarHBondContact OE1-CB 3.36Å; E33-S54 PolarHBondContact OE1-N 3.19Å; E33-S54 VanDerWaalsContact OE2-CB 3.31Å; E33-S54 WeakPolarHBondContact OE2-CB 3.22Å; E33-S54 PolarHBondContact OE2-N 3.37Å; E33-S54 PolarHBondContact OE2-OG 2.89Å |
| 34 | D | 95.6 | Very high | 85.2 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.8 | 37.8 | 172.9 | -50.6 | -39.2 | 0 | 0 | 0 | 116.5 | A36 S51 | D34-A36 PolarHBondContact O-N 3.34Å; D34-S51 WeakPolarHBondContact OD2-CB 3.18Å; D34-S51 PolarHBondContact OD2-OG 2.94Å |
| 35 | L | 97.4 | Very high | 87.5 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 112.8 | 176.6 | 178.5 | 59.1 | 0 | 0 | 0 | 110.6 | E33 I48 T49 W50 I100 V102 T122 M124 | E33-L35 VanDerWaalsContact C-N 3.3Å; E33-L35 PolarHBondContact O-N 3.01Å; E33-L35 VanDerWaalsContact O-N 3.08Å; L35-I48 HydrophobicContact CD1-CG2 3.81Å; L35-T49 WeakPolarHBondContact CA-O 3.38Å; L35-W50 HydrophobicContact CD1-CB 4.49Å; L35-I100 HydrophobicContact CD1-CG2 4.27Å; L35-I100 HydrophobicContact CD2-CG2 4.22Å; L35-V102 HydrophobicContact CD1-CG2 3.81Å; L35-V102 HydrophobicContact CD2-CG2 4.2Å; L35-T122 HydrophobicContact CB-CG2 3.59Å; L35-T122 HydrophobicContact CD2-CG2 3.98Å; L35-T122 WeakPolarHBondContact CD2-O 3.46Å; L35-T122 HydrophobicContact CG-CG2 4.45Å; L35-M124 HydrophobicContact CD2-CB 3.79Å; L35-M124 HydrophobicContact CG-CB 4.23Å |
| 36 | A | 96.6 | Very high | 89.5 | Confident | 39 Ų | 39 | 53 Ų | 53 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D34 T49 | D34-A36 PolarHBondContact O-N 3.34Å; A36-T49 PolarHBondContact N-O 3.01Å; A36-T49 PolarHBondContact O-N 3.44Å; A36-T49 PolarHBondContact O-OG1 2.78Å |
| 37 | V | 96.3 | Very high | 91.7 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 127.8 | -178.3 | -179.3 | 0 | 0 | 0 | 0 | 109 | M46 Q47 I48 I100 M124 L126 | V37-M46 HydrophobicContact CG1-CB 3.75Å; V37-M46 HydrophobicContact CG1-CG 4.21Å; V37-M46 HydrophobicContact CG1-SD 3.7Å; V37-Q47 WeakPolarHBondContact CA-O 3.35Å; V37-I48 HydrophobicContact CG2-CG1 4.47Å; V37-I48 HydrophobicContact CG2-CG2 4.38Å; V37-I100 HydrophobicContact CG2-CD1 3.5Å; V37-I100 VanDerWaalsContact CG2-CD1 3.5Å; V37-M124 HydrophobicContact CB-SD 4.18Å; V37-M124 HydrophobicContact CG2-SD 3.62Å; V37-L126 HydrophobicContact CB-CD1 3.92Å; V37-L126 HydrophobicContact CG1-CD1 3.73Å; V37-L126 HydrophobicContact CG2-CD1 4.47Å |
| 38 | L | 93.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 55% | 0.55 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 110.2 | -173 | -66.8 | 154.1 | 0 | 0 | 0 | 109.1 | S40 M46 Q47 | L38-S40 PolarHBondContact O-N 2.61Å; L38-M46 CarbonylContact O-C 3.58Å; L38-M46 WeakPolarHBondContact O-CA 3.49Å; L38-Q47 HydrophobicContact CB-CB 4.36Å; L38-Q47 PolarHBondContact N-O 2.83Å; L38-Q47 PolarHBondContact O-N 3.19Å |
| 39 | D | 90.6 | Very high | 94.1 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.3 | 168.3 | -175.6 | 1.1 | 0 | 0 | 0 | 109.3 | G41 | D39-G41 PolarHBondContact OD1-N 2.71Å |
| 40 | S | 87.6 | Confident | 94.5 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | trans | -98.7 | 14.3 | 179.9 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | L38 R42 Q45 | L38-S40 PolarHBondContact O-N 2.61Å; S40-R42 PolarHBondContact O-N 3.38Å; S40-R42 PolarHBondContact OG-NE 3.06Å; S40-R42 PolarHBondContact OG-NH2 2.97Å; S40-Q45 PolarHBondContact N-O 2.59Å; S40-Q45 PolarHBondContact OG-O 3.13Å | ||
| 41 | G | 86.7 | Confident | 94.7 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 74.4 | 1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D39 L43 | D39-G41 PolarHBondContact OD1-N 2.71Å; G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 2.75Å |
| 42 | R | 94.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 25% | 0.253 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -96.3 | 55.9 | -175.7 | -76.2 | 176.1 | -74.7 | -125.2 | 11.5 | 111.4 | S40 G44 Q45 Q91 W172 D177 | S40-R42 PolarHBondContact O-N 3.38Å; S40-R42 PolarHBondContact OG-NE 3.06Å; S40-R42 PolarHBondContact OG-NH2 2.97Å; R42-G44 PolarHBondContact O-N 3.04Å; R42-Q45 HydrophobicContact CB-CB 3.91Å; R42-Q45 PolarHBondContact O-N 2.02Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; R42-Q91 PolarHBondContact O-NE2 3.45Å; R42-W172 HydrophobicContact CB-CD2 3.71Å; R42-W172 HydrophobicContact CB-CE3 4.1Å; R42-W172 HydrophobicContact CB-CG 3.97Å; R42-W172 HydrophobicContact CB-CZ2 4.43Å; R42-W172 VanDerWaalsContact CD-CE2 3.42Å; R42-W172 HydrophobicContact CG-CD2 4.08Å; R42-W172 HydrophobicContact CG-CG 4.13Å; R42-W172 HydrophobicContact CG-CZ2 4.4Å; R42-D177 WeakPolarHBondContact CD-O 3.4Å; R42-D177 PolarHBondContact NH1-O 2.84Å |
| 43 | L | 94.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 33.6 | 175.2 | -49.5 | -175.9 | 0 | 0 | 0 | 114.6 | G41 Q91 W172 A179 Y209 C211 F225 | G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 2.75Å; L43-Q91 VanDerWaalsContact C-NE2 3.29Å; L43-Q91 PolarHBondContact O-NE2 2.88Å; L43-W172 HydrophobicContact CD1-CB 4.02Å; L43-W172 HydrophobicContact CG-CB 4.16Å; L43-A179 HydrophobicContact CD1-CB 4.21Å; L43-A179 HydrophobicContact CD2-CB 3.84Å; L43-A179 HydrophobicContact CG-CB 3.81Å; L43-Y209 WeakPolarHBondContact CD1-O 3.42Å; L43-C211 HydrophobicContact CD1-CB 3.94Å; L43-C211 HydrophobicContact CD2-CB 3.75Å; L43-C211 HydrophobicContact CG-CB 4.34Å; L43-F225 HydrophobicContact CB-CE1 4.49Å |
| 44 | G | 93.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.9 | 4.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R42 M46 Q91 F92 | R42-G44 PolarHBondContact O-N 3.04Å; G44-M46 PolarHBondContact O-N 3.01Å; G44-Q91 WeakPolarHBondContact O-CA 3.45Å; G44-F92 WeakPolarHBondContact CA-O 3.27Å; G44-F92 PolarHBondContact O-N 3.26Å |
| 45 | Q | 95.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 108.3 | 164.7 | -178.7 | 63.5 | 10.9 | 0 | 0 | 109 | S40 R42 G89 A90 Q91 W172 | S40-Q45 PolarHBondContact N-O 2.59Å; S40-Q45 PolarHBondContact OG-O 3.13Å; R42-Q45 HydrophobicContact CB-CB 3.91Å; R42-Q45 PolarHBondContact O-N 2.02Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; Q45-G89 VanDerWaalsContact NE2-C 3.27Å; Q45-G89 PolarHBondContact NE2-O 2.88Å; Q45-A90 VanDerWaalsContact OE1-C 3.25Å; Q45-A90 PolarHBondContact OE1-O 3.07Å; Q45-Q91 VanDerWaalsContact N-NE2 3.14Å; Q45-W172 HydrophobicContact CB-CH2 4.35Å; Q45-W172 HydrophobicContact CB-CZ3 4.03Å; Q45-W172 HydrophobicContact CG-CH2 4.25Å; Q45-W172 HydrophobicContact CG-CZ3 4.36Å |
| 46 | M | 94.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.5 | -178.7 | -58.7 | -178.5 | -173.7 | 0 | 0 | 110.8 | V37 L38 G44 G89 A90 F92 V98 L126 | V37-M46 HydrophobicContact CG1-CB 3.75Å; V37-M46 HydrophobicContact CG1-CG 4.21Å; V37-M46 HydrophobicContact CG1-SD 3.7Å; L38-M46 CarbonylContact O-C 3.58Å; L38-M46 WeakPolarHBondContact O-CA 3.49Å; G44-M46 PolarHBondContact O-N 3.01Å; M46-G89 WeakPolarHBondContact O-CA 3.5Å; M46-A90 PolarHBondContact N-O 3.32Å; M46-A90 PolarHBondContact O-N 2.91Å; M46-F92 HydrophobicContact CB-CD2 4.05Å; M46-F92 HydrophobicContact CB-CE2 4.24Å; M46-F92 HydrophobicContact CE-CB 4.29Å; M46-F92 HydrophobicContact CG-CD2 3.99Å; M46-F92 HydrophobicContact SD-CB 4.49Å; M46-F92 HydrophobicContact SD-CD2 3.71Å; M46-F92 HydrophobicContact SD-CE2 4.41Å; M46-F92 HydrophobicContact SD-CG 4.41Å; M46-V98 HydrophobicContact CE-CG2 4.33Å; M46-V98 HydrophobicContact SD-CG2 4.44Å; M46-L126 HydrophobicContact SD-CD1 4.25Å |
| 47 | Q | 96.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 40 Ų | 40 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.5 | 168 | -69.9 | -68.3 | -6.1 | 0 | 0 | 109.1 | V37 L38 | V37-Q47 WeakPolarHBondContact CA-O 3.35Å; L38-Q47 HydrophobicContact CB-CB 4.36Å; L38-Q47 PolarHBondContact N-O 2.83Å; L38-Q47 PolarHBondContact O-N 3.19Å |
| 48 | I | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.6 | 173.1 | -49 | 172.6 | 0 | 0 | 0 | 106.9 | L35 V37 W50 L68 T87 Y88 A90 F92 I100 | L35-I48 HydrophobicContact CD1-CG2 3.81Å; V37-I48 HydrophobicContact CG2-CG1 4.47Å; V37-I48 HydrophobicContact CG2-CG2 4.38Å; I48-W50 HydrophobicContact CB-CZ3 4.28Å; I48-W50 HydrophobicContact CG2-CE3 4Å; I48-W50 HydrophobicContact CG2-CZ3 3.87Å; I48-L68 HydrophobicContact CD1-CD1 4.31Å; I48-L68 HydrophobicContact CD1-CD2 4.29Å; I48-L68 HydrophobicContact CG2-CD1 4.44Å; I48-T87 CarbonylContact O-C 3.53Å; I48-T87 VanDerWaalsContact O-CA 3.22Å; I48-T87 WeakPolarHBondContact O-CA 3.49Å; I48-T87 PolarHBondContact O-OG1 3.08Å; I48-Y88 WeakPolarHBondContact CB-O 3.22Å; I48-Y88 PolarHBondContact N-O 3.35Å; I48-Y88 PolarHBondContact O-N 3.25Å; I48-A90 HydrophobicContact CD1-CB 4.33Å; I48-F92 HydrophobicContact CD1-CE2 4.27Å; I48-F92 HydrophobicContact CD1-CZ 4.15Å; I48-I100 HydrophobicContact CD1-CD1 3.66Å; I48-I100 HydrophobicContact CD1-CG1 3.98Å; I48-I100 HydrophobicContact CD1-CG2 4.47Å; I48-I100 HydrophobicContact CG1-CD1 3.85Å; I48-I100 HydrophobicContact CG2-CD1 4.32Å; I48-I100 HydrophobicContact CG2-CG2 4.02Å |
| 49 | T | 98 | Very high | 90.2 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.8 | -178 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | L35 A36 R86 | L35-T49 WeakPolarHBondContact CA-O 3.38Å; A36-T49 PolarHBondContact N-O 3.01Å; A36-T49 PolarHBondContact O-N 3.44Å; A36-T49 PolarHBondContact O-OG1 2.78Å; T49-R86 WeakPolarHBondContact CA-O 3.45Å |
| 50 | W | 97.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 4% | 0.038 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.5 | 177.5 | 56.4 | 91.2 | 0 | 0 | 0 | 112.5 | P32 L35 I48 Y66 L68 T83 S85 R86 V102 | P32-W50 HydrophobicContact CB-CB 4.15Å; P32-W50 HydrophobicContact CB-CG 4.18Å; L35-W50 HydrophobicContact CD1-CB 4.49Å; I48-W50 HydrophobicContact CB-CZ3 4.28Å; I48-W50 HydrophobicContact CG2-CE3 4Å; I48-W50 HydrophobicContact CG2-CZ3 3.87Å; W50-Y66 AromaticContact CD1-CD1 3.87Å; W50-Y66 AromaticContact CD1-CE1 3.89Å; W50-Y66 AromaticContact CE2-CG 3.92Å; W50-Y66 HydrophobicContact CZ2-CD2 4.22Å; W50-Y66 HydrophobicContact CZ2-CG 4.17Å; W50-Y66 AromaticContact NE1-CD1 3.36Å; W50-Y66 AromaticContact NE1-CD2 3.27Å; W50-Y66 VanDerWaalsContact NE1-CD2 3.27Å; W50-Y66 AromaticContact NE1-CE1 3.7Å; W50-Y66 AromaticContact NE1-CE2 3.63Å; W50-Y66 AromaticContact NE1-CG 3.13Å; W50-Y66 AromaticContact NE1-CZ 3.83Å; W50-L68 HydrophobicContact CH2-CB 4.32Å; W50-L68 HydrophobicContact CH2-CD2 4.02Å; W50-L68 HydrophobicContact CZ3-CD1 4.47Å; W50-L68 HydrophobicContact CZ3-CD2 4.17Å; W50-T83 HydrophobicContact CH2-CG2 4.44Å; W50-T83 HydrophobicContact CZ2-CG2 4.17Å; W50-S85 WeakPolarHBondContact CZ2-O 3.25Å; W50-R86 PolarHBondContact N-O 2.99Å; W50-R86 VanDerWaalsContact N-O 3.08Å; W50-R86 WeakPolarHBondContact O-CB 3.36Å; W50-V102 HydrophobicContact CD2-CG1 4.09Å; W50-V102 HydrophobicContact CD2-CG2 4.37Å; W50-V102 HydrophobicContact CE3-CG2 4.2Å; W50-V102 HydrophobicContact CG-CG1 4.39Å; W50-V102 HydrophobicContact CZ2-CG1 4.28Å |
| 51 | S | 95.8 | Very high | 88.9 | Confident | 34 Ų | 34 | 51 Ų | 51 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 151.9 | 171.7 | -78.3 | 0 | 0 | 0 | 0 | 111.7 | P32 E33 D34 | P32-S51 WeakPolarHBondContact CB-O 3.02Å; E33-S51 PolarHBondContact N-O 3.48Å; E33-S51 PolarHBondContact O-N 3.36Å; D34-S51 WeakPolarHBondContact OD2-CB 3.18Å; D34-S51 PolarHBondContact OD2-OG 2.94Å |
| 52 | P | 93.6 | Very high | 88.7 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 151.3 | 163.3 | 31.3 | -34.2 | 0 | 0 | 0 | 109.5 | S54 Y66 | P52-S54 PolarHBondContact O-N 2.89Å; P52-Y66 WeakPolarHBondContact CB-OH 2.95Å |
| 53 | P | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 137.5 | 172.5 | -16.1 | 24.5 | 0 | 0 | 0 | 111.5 | D30 P31 E33 C55 L56 T104 | D30-P53 HydrophobicContact CB-CB 3.9Å; D30-P53 HydrophobicContact CB-CG 4.49Å; D30-P53 WeakPolarHBondContact O-CG 3.43Å; P31-P53 WeakPolarHBondContact O-CG 3.2Å; E33-P53 WeakPolarHBondContact OE1-CA 3.43Å; P53-C55 PolarHBondContact O-N 3.45Å; P53-L56 HydrophobicContact CG-CD1 4.23Å; P53-L56 PolarHBondContact O-N 3.2Å; P53-T104 HydrophobicContact CG-CG2 4.09Å; P53-T104 WeakPolarHBondContact CG-OG1 3.39Å |
| 54 | S | 89.7 | Confident | 88.2 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.7 | -175.9 | -85.8 | 0 | 0 | 0 | 0 | 113.9 | E33 P52 T57 | E33-S54 VanDerWaalsContact CD-N 3.29Å; E33-S54 WeakPolarHBondContact OE1-CB 3.36Å; E33-S54 PolarHBondContact OE1-N 3.19Å; E33-S54 VanDerWaalsContact OE2-CB 3.31Å; E33-S54 WeakPolarHBondContact OE2-CB 3.22Å; E33-S54 PolarHBondContact OE2-N 3.37Å; E33-S54 PolarHBondContact OE2-OG 2.89Å; P52-S54 PolarHBondContact O-N 2.89Å; S54-T57 PolarHBondContact O-OG1 2.99Å |
| 55 | C | 81.9 | Confident | 88.3 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -34.4 | 174.7 | 91.8 | 0 | 0 | 0 | 0 | 113.2 | C24 P53 T57 | C24-C55 HydrophobicContact CB-CB 3.54Å; C24-C55 WeakPolarHBondContact CB-SG 3.39Å; C24-C55 WeakPolarHBondContact SG-CB 3.34Å; C24-C55 CovalentContact SG-SG 2.02Å; C24-C55 PolarHBondContact SG-SG 2.89Å; P53-C55 PolarHBondContact O-N 3.45Å; C55-T57 VanDerWaalsContact C-N 3.35Å |
| 56 | L | 84.6 | Confident | 88.4 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -79.2 | -19 | -178.8 | -62.8 | -174.1 | 0 | 0 | 0 | 112.5 | V29 P53 K58 M59 C62 P64 T104 L106 | V29-L56 HydrophobicContact CG2-CD1 4.15Å; V29-L56 HydrophobicContact CG2-CD2 4.48Å; P53-L56 HydrophobicContact CG-CD1 4.23Å; P53-L56 PolarHBondContact O-N 3.2Å; L56-K58 PolarHBondContact O-N 2.78Å; L56-M59 HydrophobicContact CD2-SD 4.01Å; L56-M59 PolarHBondContact O-N 3Å; L56-C62 HydrophobicContact CD2-CB 4.27Å; L56-P64 HydrophobicContact CD1-CB 3.91Å; L56-P64 HydrophobicContact CD1-CG 4.1Å; L56-T104 HydrophobicContact CD1-CG2 4.05Å; L56-L106 HydrophobicContact CD1-CD2 3.91Å; L56-L106 HydrophobicContact CD2-CD1 4.22Å; L56-L106 HydrophobicContact CD2-CD2 4.38Å |
| 57 | T | 76.1 | Confident | 88.5 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 60% | 0.601 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -55.3 | -21.7 | 173.5 | -41.3 | 0 | 0 | 0 | 0 | 113.1 | S54 C55 | S54-T57 PolarHBondContact O-OG1 2.99Å; C55-T57 VanDerWaalsContact C-N 3.35Å |
| 58 | K | 75.6 | Confident | 88.6 | Confident | 143 Ų | 143 | 56.6 Ų | 56.6 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -100.3 | 1.7 | 178.1 | -61 | 177.2 | -175.3 | 172.8 | 0 | 113.7 | N21 L56 | N21-K58 PolarHBondContact OD1-NZ 2.68Å; N21-K58 VanDerWaalsContact OD1-NZ 3.14Å; L56-K58 PolarHBondContact O-N 2.78Å |
| 59 | M | 77.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | trans | -123.8 | 74.5 | -172.8 | -63.7 | -177.7 | 164.2 | 0 | 0 | 110.9 | C24 L56 E61 C62 | C24-M59 HydrophobicContact CB-CE 4.11Å; C24-M59 WeakPolarHBondContact O-CE 3.36Å; L56-M59 HydrophobicContact CD2-SD 4.01Å; L56-M59 PolarHBondContact O-N 3Å; M59-E61 PolarHBondContact O-N 2.86Å; M59-E61 VanDerWaalsContact O-N 3.13Å; M59-C62 HydrophobicContact CB-CB 3.99Å; M59-C62 WeakPolarHBondContact O-CB 3.5Å; M59-C62 PolarHBondContact O-N 2.87Å | ||
| 60 | T | 74.5 | Confident | 88.6 | Confident | 132 Ų | 132 | 56.4 Ų | 56.4 | 81% | 0.81 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.9 | -175 | 46.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 61 | E | 76.6 | Confident | 88.6 | Confident | 177 Ų | 177 | 58.1 Ų | 58.1 | 83% | 0.827 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -28.4 | 174.2 | -65.2 | 170.2 | 179.5 | 0 | 0 | 111.6 | M59 R63 | M59-E61 PolarHBondContact O-N 2.86Å; M59-E61 VanDerWaalsContact O-N 3.13Å; E61-R63 PolarHBondContact O-N 3.43Å |
| 62 | C | 82.4 | Confident | 88.6 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | trans | -75.8 | 112.2 | 174.3 | -59 | 0 | 0 | 0 | 0 | 109.9 | L56 M59 P64 L106 C110 | L56-C62 HydrophobicContact CD2-CB 4.27Å; M59-C62 HydrophobicContact CB-CB 3.99Å; M59-C62 WeakPolarHBondContact O-CB 3.5Å; M59-C62 PolarHBondContact O-N 2.87Å; C62-P64 WeakPolarHBondContact O-CD 3.39Å; C62-L106 HydrophobicContact CB-CD2 4.25Å; C62-C110 HydrophobicContact CB-CB 4.27Å; C62-C110 WeakPolarHBondContact SG-CB 3.22Å | ||
| 63 | R | 87.8 | Confident | 88.7 | Confident | 213 Ų | 213 | 55.9 Ų | 55.9 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | trans | -100.7 | 93.7 | 172.9 | -65.2 | -173.8 | -177 | -174.9 | 2.7 | 110 | E61 | E61-R63 PolarHBondContact O-N 3.43Š| ||
| 64 | P | 91.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | trans | -65.2 | 143.2 | -179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 112 | L56 C62 Y66 T104 I105 L106 | L56-P64 HydrophobicContact CD1-CB 3.91Å; L56-P64 HydrophobicContact CD1-CG 4.1Å; C62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-Y66 HydrophobicContact CB-CE1 4.4Å; P64-Y66 WeakPolarHBondContact CG-OH 3.32Å; P64-T104 HydrophobicContact CB-CG2 4.22Å; P64-I105 WeakPolarHBondContact CA-O 3.44Å; P64-L106 HydrophobicContact CB-CD2 4.21Å | ||
| 65 | Q | 94.5 | Very high | 88.9 | Confident | 85 Ų | 85 | 61 Ų | 61 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 167.7 | 157.2 | -63.8 | -176.3 | -2.8 | 0 | 0 | 108.5 | I105 | Q65-I105 HydrophobicContact CB-CB 4.16Å; Q65-I105 HydrophobicContact CB-CG2 4.28Å; Q65-I105 PolarHBondContact N-O 2.88Å; Q65-I105 PolarHBondContact O-N 2.9Å |
| 66 | Y | 97 | Very high | 89.5 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.6 | 178 | -53.5 | -78.5 | 0 | 0 | 0 | 109.5 | P32 W50 P52 P64 R82 T83 S85 R86 Y103 | P32-Y66 HydrophobicContact CB-CD1 4.38Å; P32-Y66 HydrophobicContact CB-CE1 4.32Å; P32-Y66 HydrophobicContact CG-CD1 3.68Å; P32-Y66 HydrophobicContact CG-CE1 3.98Å; W50-Y66 AromaticContact CD1-CD1 3.87Å; W50-Y66 AromaticContact CD1-CE1 3.89Å; W50-Y66 AromaticContact CE2-CG 3.92Å; W50-Y66 HydrophobicContact CZ2-CD2 4.22Å; W50-Y66 HydrophobicContact CZ2-CG 4.17Å; W50-Y66 AromaticContact NE1-CD1 3.36Å; W50-Y66 AromaticContact NE1-CD2 3.27Å; W50-Y66 VanDerWaalsContact NE1-CD2 3.27Å; W50-Y66 AromaticContact NE1-CE1 3.7Å; W50-Y66 AromaticContact NE1-CE2 3.63Å; W50-Y66 AromaticContact NE1-CG 3.13Å; W50-Y66 AromaticContact NE1-CZ 3.83Å; P52-Y66 WeakPolarHBondContact CB-OH 2.95Å; P64-Y66 HydrophobicContact CB-CE1 4.4Å; P64-Y66 WeakPolarHBondContact CG-OH 3.32Å; Y66-R82 CarbonylContact O-C 3.59Å; Y66-R82 VanDerWaalsContact O-CA 3.27Å; Y66-R82 WeakPolarHBondContact O-CA 3.25Å; Y66-T83 PolarHBondContact N-O 2.99Å; Y66-T83 PolarHBondContact O-N 3.22Å; Y66-S85 VanDerWaalsContact CD2-O 3.25Å; Y66-S85 WeakPolarHBondContact CD2-O 3.17Å; Y66-R86 HydrophobicContact CE2-CG 3.95Å; Y66-Y103 VanDerWaalsContact CA-O 3.27Å; Y66-Y103 WeakPolarHBondContact CA-O 3.17Å |
| 67 | Q | 98.1 | Very high | 90.1 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.8 | 162.3 | 178.9 | 163.7 | -50.2 | 0 | 0 | 107.7 | E69 I80 L81 R82 V102 Y103 I105 | Q67-E69 HydrophobicContact CG-CG 4.17Å; Q67-E69 PolarHBondContact NE2-OE1 3.05Å; Q67-I80 HydrophobicContact CG-CG2 3.83Å; Q67-L81 WeakPolarHBondContact CA-O 3.37Å; Q67-R82 HydrophobicContact CB-CG 4.17Å; Q67-R82 HydrophobicContact CG-CG 4.41Å; Q67-R82 VanDerWaalsContact OE1-CZ 3.26Å; Q67-V102 WeakPolarHBondContact O-CA 3.24Å; Q67-Y103 PolarHBondContact N-O 2.99Å; Q67-Y103 PolarHBondContact O-N 2.88Å; Q67-I105 HydrophobicContact CB-CD1 3.76Å |
| 68 | L | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.2 | 173.1 | 167 | 65.1 | 0 | 0 | 0 | 107.8 | I48 W50 Y70 I80 L81 Y88 I100 V102 | I48-L68 HydrophobicContact CD1-CD1 4.31Å; I48-L68 HydrophobicContact CD1-CD2 4.29Å; I48-L68 HydrophobicContact CG2-CD1 4.44Å; W50-L68 HydrophobicContact CH2-CB 4.32Å; W50-L68 HydrophobicContact CH2-CD2 4.02Å; W50-L68 HydrophobicContact CZ3-CD1 4.47Å; W50-L68 HydrophobicContact CZ3-CD2 4.17Å; L68-Y70 HydrophobicContact CD2-CD1 4.21Å; L68-Y70 HydrophobicContact CD2-CE1 4.49Å; L68-Y70 HydrophobicContact CG-CD1 4.11Å; L68-I80 WeakPolarHBondContact O-CA 3.36Å; L68-L81 HydrophobicContact CB-CD1 4.04Å; L68-L81 HydrophobicContact CB-CG 4.14Å; L68-L81 HydrophobicContact CD2-CD1 4.32Å; L68-L81 HydrophobicContact CD2-CD2 4.23Å; L68-L81 HydrophobicContact CD2-CG 4.37Å; L68-L81 HydrophobicContact CG-CG 4.49Å; L68-L81 PolarHBondContact N-O 3.16Å; L68-L81 PolarHBondContact O-N 2.6Å; L68-Y88 HydrophobicContact CD2-CD1 3.67Å; L68-Y88 HydrophobicContact CD2-CG 3.69Å; L68-I100 HydrophobicContact CD1-CG2 3.78Å; L68-V102 HydrophobicContact CD1-CG2 4Å |
| 69 | E | 98.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 63.8 Ų | 63.8 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.2 | 172.6 | -44.6 | -169.5 | 158.2 | 0 | 0 | 108.4 | Q67 W78 E79 I80 I100 R101 Y103 | Q67-E69 HydrophobicContact CG-CG 4.17Å; Q67-E69 PolarHBondContact NE2-OE1 3.05Å; E69-W78 HydrophobicContact CB-CE3 4Å; E69-W78 HydrophobicContact CB-CZ3 4.2Å; E69-E79 WeakPolarHBondContact CA-O 3.19Å; E69-I80 HydrophobicContact CB-CG1 4.3Å; E69-I80 HydrophobicContact CG-CG1 4.03Å; E69-I80 HydrophobicContact CG-CG2 4.24Å; E69-I100 CarbonylContact O-C 3.5Å; E69-I100 WeakPolarHBondContact O-CA 3.5Å; E69-R101 HydrophobicContact CB-CB 4.32Å; E69-R101 PolarHBondContact N-O 3.04Å; E69-R101 PolarHBondContact O-N 3.41Å; E69-Y103 HydrophobicContact CG-CD2 4.48Å; E69-Y103 HydrophobicContact CG-CE2 4.18Å |
| 70 | Y | 97.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149 | 173.5 | 63.6 | -92.7 | 0 | 0 | 0 | 111.6 | L68 N72 W78 E79 L81 Y88 A90 F92 H99 | L68-Y70 HydrophobicContact CD2-CD1 4.21Å; L68-Y70 HydrophobicContact CD2-CE1 4.49Å; L68-Y70 HydrophobicContact CG-CD1 4.11Å; Y70-N72 HydrophobicContact CE2-CB 4.49Å; Y70-N72 PolarHBondContact O-N 2.91Å; Y70-W78 VanDerWaalsContact C-CE3 3.43Å; Y70-W78 WeakPolarHBondContact O-CA 3.35Å; Y70-E79 HydrophobicContact CD2-CB 4.48Å; Y70-E79 HydrophobicContact CE1-CB 4.2Å; Y70-E79 HydrophobicContact CE2-CB 4.03Å; Y70-E79 PolarHBondContact N-O 2.86Å; Y70-E79 PolarHBondContact O-N 2.83Å; Y70-E79 PolarHBondContact OH-OE2 2.95Å; Y70-L81 HydrophobicContact CE1-CD2 4.14Å; Y70-Y88 HydrophobicContact CE1-CD1 4.17Å; Y70-Y88 AromaticContact CE1-CE1 3.71Å; Y70-Y88 HydrophobicContact CE1-CE1 3.71Å; Y70-A90 HydrophobicContact CD2-CB 4.37Å; Y70-A90 HydrophobicContact CE1-CB 4.2Å; Y70-A90 HydrophobicContact CE2-CB 3.89Å; Y70-F92 AromaticContact CD2-CE1 3.68Å; Y70-F92 HydrophobicContact CD2-CE1 3.68Å; Y70-F92 AromaticContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CE2-CE1 4.47Å; Y70-F92 HydrophobicContact CE2-CZ 4.49Å; Y70-F92 HydrophobicContact CG-CE1 4.26Å; Y70-F92 HydrophobicContact CG-CZ 4.09Å; Y70-H99 VanDerWaalsContact CA-O 3.31Å; Y70-H99 WeakPolarHBondContact CA-O 3.36Å |
| 71 | F | 97.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 111.1 | 176 | -168.6 | -104.7 | 0 | 0 | 0 | 110 | T73 N76 N77 W78 H99 | F71-T73 HydrophobicContact CD1-CG2 4.48Å; F71-T73 PolarHBondContact O-N 2.82Å; F71-T73 VanDerWaalsContact O-N 3.12Å; F71-N76 HydrophobicContact CZ-CB 4.47Å; F71-N77 CarbonylContact C-O 3.5Å; F71-N77 WeakPolarHBondContact CD2-O 3.25Å; F71-W78 HydrophobicContact CB-CD2 4.34Å; F71-W78 HydrophobicContact CB-CE3 4.46Å; F71-W78 HydrophobicContact CB-CZ2 4.39Å; F71-W78 AromaticContact CD2-CD1 3.86Å; F71-W78 HydrophobicContact CD2-CD2 4.29Å; F71-W78 HydrophobicContact CD2-CG 4.17Å; F71-W78 AromaticContact CD2-NE1 3.76Å; F71-H99 HydrophobicContact CB-CB 4.08Å; F71-H99 PolarHBondContact N-O 2.87Å |
| 72 | N | 95.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 105.1 | 174.8 | -175 | -38.3 | 0 | 0 | 0 | 109.3 | Y70 Y74 K75 N76 N77 E79 | Y70-N72 HydrophobicContact CE2-CB 4.49Å; Y70-N72 PolarHBondContact O-N 2.91Å; N72-Y74 PolarHBondContact O-N 2.94Å; N72-Y74 PolarHBondContact OD1-N 2.79Å; N72-K75 HydrophobicContact CB-CB 4.18Å; N72-K75 WeakPolarHBondContact ND2-CD 3.27Å; N72-K75 PolarHBondContact O-N 2.71Å; N72-K75 PolarHBondContact OD1-N 3.03Å; N72-N76 WeakPolarHBondContact O-CA 3.47Å; N72-N76 PolarHBondContact O-N 3.08Å; N72-N77 PolarHBondContact N-O 3.08Å; N72-E79 HydrophobicContact CB-CG 4.14Å; N72-E79 PolarHBondContact ND2-OE1 2.6Å |
| 73 | T | 95.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.9 | -176.5 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | F71 F92 D93 K96 | F71-T73 HydrophobicContact CD1-CG2 4.48Å; F71-T73 PolarHBondContact O-N 2.82Å; F71-T73 VanDerWaalsContact O-N 3.12Å; T73-F92 HydrophobicContact CG2-CD1 4.28Å; T73-F92 WeakPolarHBondContact OG1-CA 3.48Å; T73-D93 WeakPolarHBondContact OG1-CB 3.46Å; T73-D93 PolarHBondContact OG1-N 3.37Å; T73-K96 HydrophobicContact CG2-CB 4.11Å; T73-K96 HydrophobicContact CG2-CD 4.34Å; T73-K96 PolarHBondContact O-NZ 3.17Å |
| 74 | Y | 93.9 | Very high | 96.1 | Very high | 57 Ų | 57 | 55 Ų | 55 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -39.9 | 175.5 | -67.1 | -71.8 | 0 | 0 | 0 | 112.1 | N72 Q91 F92 D93 Y209 | N72-Y74 PolarHBondContact O-N 2.94Å; N72-Y74 PolarHBondContact OD1-N 2.79Å; Y74-Q91 HydrophobicContact CE2-CG 3.94Å; Y74-F92 WeakPolarHBondContact CE2-O 3.18Å; Y74-F92 PolarHBondContact OH-O 2.88Å; Y74-D93 HydrophobicContact CE1-CB 4.02Å; Y74-D93 HydrophobicContact CE2-CB 4.22Å; Y74-Y209 HydrophobicContact CD2-CE1 4.19Å; Y74-Y209 AromaticContact CE2-CD1 4Å; Y74-Y209 HydrophobicContact CE2-CD1 4Å; Y74-Y209 AromaticContact CE2-CE1 3.91Å; Y74-Y209 HydrophobicContact CE2-CE1 3.91Å |
| 75 | K | 92.3 | Very high | 96.3 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 52% | 0.522 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.1 | 176.8 | -61.9 | 179.6 | -164.3 | 162.2 | 0 | 113.9 | N72 N77 E79 | N72-K75 HydrophobicContact CB-CB 4.18Å; N72-K75 WeakPolarHBondContact ND2-CD 3.27Å; N72-K75 PolarHBondContact O-N 2.71Å; N72-K75 PolarHBondContact OD1-N 3.03Å; K75-N77 VanDerWaalsContact C-N 3.35Å; K75-N77 VanDerWaalsContact CB-OD1 3.25Å; K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 2.89Å; K75-E79 WeakPolarHBondContact CD-OE1 3.27Å; K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 3.46Å; K75-E79 PolarHBondContact NZ-OE1 2.84Å |
| 76 | N | 94.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 66% | 0.663 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41.3 | -179.2 | -164.1 | 80.4 | 0 | 0 | 0 | 113.5 | F71 N72 | F71-N76 HydrophobicContact CZ-CB 4.47Å; N72-N76 WeakPolarHBondContact O-CA 3.47Å; N72-N76 PolarHBondContact O-N 3.08Å |
| 77 | N | 96.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 168.5 | 177.9 | 66 | -9.4 | 0 | 0 | 0 | 111.5 | F71 N72 K75 | F71-N77 CarbonylContact C-O 3.5Å; F71-N77 WeakPolarHBondContact CD2-O 3.25Å; N72-N77 PolarHBondContact N-O 3.08Å; K75-N77 VanDerWaalsContact C-N 3.35Å; K75-N77 VanDerWaalsContact CB-OD1 3.25Å; K75-N77 WeakPolarHBondContact CB-OD1 3.48Å; K75-N77 PolarHBondContact O-N 2.89Å |
| 78 | W | 97.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 64.3 Ų | 64.3 | 37% | 0.367 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.7 | 169 | -73.9 | 89.6 | 0 | 0 | 0 | 110 | E69 Y70 F71 H99 R101 | E69-W78 HydrophobicContact CB-CE3 4Å; E69-W78 HydrophobicContact CB-CZ3 4.2Å; Y70-W78 VanDerWaalsContact C-CE3 3.43Å; Y70-W78 WeakPolarHBondContact O-CA 3.35Å; F71-W78 HydrophobicContact CB-CD2 4.34Å; F71-W78 HydrophobicContact CB-CE3 4.46Å; F71-W78 HydrophobicContact CB-CZ2 4.39Å; F71-W78 AromaticContact CD2-CD1 3.86Å; F71-W78 HydrophobicContact CD2-CD2 4.29Å; F71-W78 HydrophobicContact CD2-CG 4.17Å; F71-W78 AromaticContact CD2-NE1 3.76Å; W78-H99 HydrophobicContact CH2-CB 3.76Å; W78-H99 HydrophobicContact CZ2-CB 4.25Å; W78-R101 HydrophobicContact CH2-CG 4.44Å; W78-R101 HydrophobicContact CZ3-CG 4.41Å |
| 79 | E | 97.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.8 | 165.4 | -69.5 | -170.3 | -161.9 | 0 | 0 | 109.2 | E69 Y70 N72 K75 | E69-E79 WeakPolarHBondContact CA-O 3.19Å; Y70-E79 HydrophobicContact CD2-CB 4.48Å; Y70-E79 HydrophobicContact CE1-CB 4.2Å; Y70-E79 HydrophobicContact CE2-CB 4.03Å; Y70-E79 PolarHBondContact N-O 2.86Å; Y70-E79 PolarHBondContact O-N 2.83Å; Y70-E79 PolarHBondContact OH-OE2 2.95Å; N72-E79 HydrophobicContact CB-CG 4.14Å; N72-E79 PolarHBondContact ND2-OE1 2.6Å; K75-E79 WeakPolarHBondContact CD-OE1 3.27Å; K75-E79 WeakPolarHBondContact CE-OE1 3.21Å; K75-E79 IonicContact NZ-OE1 3.46Å; K75-E79 PolarHBondContact NZ-OE1 2.84Å |
| 80 | I | 97.5 | Very high | 96.1 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 52% | 0.518 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.8 | -175.5 | -58.7 | 176.8 | 0 | 0 | 0 | 107.9 | Q67 L68 E69 | Q67-I80 HydrophobicContact CG-CG2 3.83Å; L68-I80 WeakPolarHBondContact O-CA 3.36Å; E69-I80 HydrophobicContact CB-CG1 4.3Å; E69-I80 HydrophobicContact CG-CG1 4.03Å; E69-I80 HydrophobicContact CG-CG2 4.24Å |
| 81 | L | 97.5 | Very high | 96 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 153.5 | 176.7 | 66.7 | 91.2 | 0 | 0 | 0 | 111.8 | Q67 L68 Y70 T83 Y88 | Q67-L81 WeakPolarHBondContact CA-O 3.37Å; L68-L81 HydrophobicContact CB-CD1 4.04Å; L68-L81 HydrophobicContact CB-CG 4.14Å; L68-L81 HydrophobicContact CD2-CD1 4.32Å; L68-L81 HydrophobicContact CD2-CD2 4.23Å; L68-L81 HydrophobicContact CD2-CG 4.37Å; L68-L81 HydrophobicContact CG-CG 4.49Å; L68-L81 PolarHBondContact N-O 3.16Å; L68-L81 PolarHBondContact O-N 2.6Å; Y70-L81 HydrophobicContact CE1-CD2 4.14Å; L81-T83 HydrophobicContact CD1-CG2 3.71Å; L81-Y88 HydrophobicContact CD1-CD2 4.29Å; L81-Y88 HydrophobicContact CD1-CE2 4.43Å; L81-Y88 HydrophobicContact CD2-CD1 4.11Å; L81-Y88 HydrophobicContact CD2-CD2 3.88Å; L81-Y88 HydrophobicContact CD2-CE1 3.69Å; L81-Y88 HydrophobicContact CD2-CE2 3.44Å; L81-Y88 VanDerWaalsContact CD2-CE2 3.44Å; L81-Y88 HydrophobicContact CD2-CG 4.19Å |
| 82 | R | 96.4 | Very high | 96 | Very high | 143 Ų | 143 | 62.3 Ų | 62.3 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.7 | 172.7 | -68.9 | -179.1 | -178.6 | 168.4 | 0.7 | 110.4 | Y66 Q67 I105 | Y66-R82 CarbonylContact O-C 3.59Å; Y66-R82 VanDerWaalsContact O-CA 3.27Å; Y66-R82 WeakPolarHBondContact O-CA 3.25Å; Q67-R82 HydrophobicContact CB-CG 4.17Å; Q67-R82 HydrophobicContact CG-CG 4.41Å; Q67-R82 VanDerWaalsContact OE1-CZ 3.26Å; R82-I105 HydrophobicContact CG-CD1 4.16Å |
| 83 | T | 96.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 144.8 | -175.4 | -173.3 | 0 | 0 | 0 | 0 | 112.2 | W50 Y66 L81 S85 | W50-T83 HydrophobicContact CH2-CG2 4.44Å; W50-T83 HydrophobicContact CZ2-CG2 4.17Å; Y66-T83 PolarHBondContact N-O 2.99Å; Y66-T83 PolarHBondContact O-N 3.22Å; L81-T83 HydrophobicContact CD1-CG2 3.71Å; T83-S85 VanDerWaalsContact OG1-CB 3.22Å; T83-S85 WeakPolarHBondContact OG1-CB 3.47Å; T83-S85 PolarHBondContact OG1-N 2.69Å |
| 84 | P | 94.5 | Very high | 95.8 | Very high | 98 Ų | 98 | 63 Ų | 63 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -80.2 | -6 | 164.6 | 34.7 | -35.5 | 0 | 0 | 0 | 112.5 | ||
| 85 | S | 96.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | trans | -67 | 150.5 | 175.1 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | W50 Y66 T83 T87 | W50-S85 WeakPolarHBondContact CZ2-O 3.25Å; Y66-S85 VanDerWaalsContact CD2-O 3.25Å; Y66-S85 WeakPolarHBondContact CD2-O 3.17Å; T83-S85 VanDerWaalsContact OG1-CB 3.22Å; T83-S85 WeakPolarHBondContact OG1-CB 3.47Å; T83-S85 PolarHBondContact OG1-N 2.69Å; S85-T87 WeakPolarHBondContact CB-O 3.28Å; S85-T87 PolarHBondContact OG-N 2.9Å; S85-T87 VanDerWaalsContact OG-N 3.13Å; S85-T87 PolarHBondContact OG-O 3.36Å | ||
| 86 | R | 95.8 | Very high | 95.8 | Very high | 147 Ų | 147 | 61.1 Ų | 61.1 | 56% | 0.555 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -101 | 8.8 | 170.9 | -73.5 | 179.1 | -66.5 | 159.6 | 2 | 113 | T49 W50 Y66 | T49-R86 WeakPolarHBondContact CA-O 3.45Å; W50-R86 PolarHBondContact N-O 2.99Å; W50-R86 VanDerWaalsContact N-O 3.08Å; W50-R86 WeakPolarHBondContact O-CB 3.36Å; Y66-R86 HydrophobicContact CE2-CG 3.95Å |
| 87 | T | 97.4 | Very high | 95.8 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.1 | -178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | I48 S85 | I48-T87 CarbonylContact O-C 3.53Å; I48-T87 VanDerWaalsContact O-CA 3.22Å; I48-T87 WeakPolarHBondContact O-CA 3.49Å; I48-T87 PolarHBondContact O-OG1 3.08Å; S85-T87 WeakPolarHBondContact CB-O 3.28Å; S85-T87 PolarHBondContact OG-N 2.9Å; S85-T87 VanDerWaalsContact OG-N 3.13Å; S85-T87 PolarHBondContact OG-O 3.36Å |
| 88 | Y | 97.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 31% | 0.31 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.6 | 174.7 | -170.5 | -97 | 0 | 0 | 0 | 110.8 | I48 L68 Y70 L81 A90 | I48-Y88 WeakPolarHBondContact CB-O 3.22Å; I48-Y88 PolarHBondContact N-O 3.35Å; I48-Y88 PolarHBondContact O-N 3.25Å; L68-Y88 HydrophobicContact CD2-CD1 3.67Å; L68-Y88 HydrophobicContact CD2-CG 3.69Å; Y70-Y88 HydrophobicContact CE1-CD1 4.17Å; Y70-Y88 AromaticContact CE1-CE1 3.71Å; Y70-Y88 HydrophobicContact CE1-CE1 3.71Å; L81-Y88 HydrophobicContact CD1-CD2 4.29Å; L81-Y88 HydrophobicContact CD1-CE2 4.43Å; L81-Y88 HydrophobicContact CD2-CD1 4.11Å; L81-Y88 HydrophobicContact CD2-CD2 3.88Å; L81-Y88 HydrophobicContact CD2-CE1 3.69Å; L81-Y88 HydrophobicContact CD2-CE2 3.44Å; L81-Y88 VanDerWaalsContact CD2-CE2 3.44Å; L81-Y88 HydrophobicContact CD2-CG 4.19Å; Y88-A90 HydrophobicContact CD1-CB 4.11Å; Y88-A90 HydrophobicContact CE1-CB 3.98Å |
| 89 | G | 95.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q45 M46 | Q45-G89 VanDerWaalsContact NE2-C 3.27Å; Q45-G89 PolarHBondContact NE2-O 2.88Å; M46-G89 WeakPolarHBondContact O-CA 3.5Å |
| 90 | A | 95.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q45 M46 I48 Y70 Y88 F92 | Q45-A90 VanDerWaalsContact OE1-C 3.25Å; Q45-A90 PolarHBondContact OE1-O 3.07Å; M46-A90 PolarHBondContact N-O 3.32Å; M46-A90 PolarHBondContact O-N 2.91Å; I48-A90 HydrophobicContact CD1-CB 4.33Å; Y70-A90 HydrophobicContact CD2-CB 4.37Å; Y70-A90 HydrophobicContact CE1-CB 4.2Å; Y70-A90 HydrophobicContact CE2-CB 3.89Å; Y88-A90 HydrophobicContact CD1-CB 4.11Å; Y88-A90 HydrophobicContact CE1-CB 3.98Å; A90-F92 HydrophobicContact CB-CE2 3.73Å; A90-F92 HydrophobicContact CB-CZ 3.83Å |
| 91 | Q | 95.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.7 | 174.3 | -165.5 | 99.9 | 16.4 | 0 | 0 | 111 | R42 L43 G44 Q45 Y74 Y209 | R42-Q91 PolarHBondContact O-NE2 3.45Å; L43-Q91 VanDerWaalsContact C-NE2 3.29Å; L43-Q91 PolarHBondContact O-NE2 2.88Å; G44-Q91 WeakPolarHBondContact O-CA 3.45Å; Q45-Q91 VanDerWaalsContact N-NE2 3.14Å; Y74-Q91 HydrophobicContact CE2-CG 3.94Å; Q91-Y209 HydrophobicContact CB-CE1 4.03Å; Q91-Y209 HydrophobicContact CB-CE2 4.21Å; Q91-Y209 VanDerWaalsContact CD-CD2 3.48Å; Q91-Y209 HydrophobicContact CG-CD1 3.72Å; Q91-Y209 HydrophobicContact CG-CD2 4.12Å; Q91-Y209 HydrophobicContact CG-CE1 3.46Å; Q91-Y209 VanDerWaalsContact CG-CE1 3.46Å; Q91-Y209 HydrophobicContact CG-CE2 3.88Å; Q91-Y209 HydrophobicContact CG-CG 4.03Å |
| 92 | F | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -118.1 | 167.1 | 170.3 | -56.8 | -80.7 | 0 | 0 | 0 | 111.5 | G44 M46 I48 Y70 T73 Y74 A90 P94 V98 I100 | G44-F92 WeakPolarHBondContact CA-O 3.27Å; G44-F92 PolarHBondContact O-N 3.26Å; M46-F92 HydrophobicContact CB-CD2 4.05Å; M46-F92 HydrophobicContact CB-CE2 4.24Å; M46-F92 HydrophobicContact CE-CB 4.29Å; M46-F92 HydrophobicContact CG-CD2 3.99Å; M46-F92 HydrophobicContact SD-CB 4.49Å; M46-F92 HydrophobicContact SD-CD2 3.71Å; M46-F92 HydrophobicContact SD-CE2 4.41Å; M46-F92 HydrophobicContact SD-CG 4.41Å; I48-F92 HydrophobicContact CD1-CE2 4.27Å; I48-F92 HydrophobicContact CD1-CZ 4.15Å; Y70-F92 AromaticContact CD2-CE1 3.68Å; Y70-F92 HydrophobicContact CD2-CE1 3.68Å; Y70-F92 AromaticContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CD2-CZ 3.8Å; Y70-F92 HydrophobicContact CE2-CE1 4.47Å; Y70-F92 HydrophobicContact CE2-CZ 4.49Å; Y70-F92 HydrophobicContact CG-CE1 4.26Å; Y70-F92 HydrophobicContact CG-CZ 4.09Å; T73-F92 HydrophobicContact CG2-CD1 4.28Å; T73-F92 WeakPolarHBondContact OG1-CA 3.48Å; Y74-F92 WeakPolarHBondContact CE2-O 3.18Å; Y74-F92 PolarHBondContact OH-O 2.88Å; A90-F92 HydrophobicContact CB-CE2 3.73Å; A90-F92 HydrophobicContact CB-CZ 3.83Å; F92-P94 WeakPolarHBondContact O-CD 3.48Å; F92-V98 HydrophobicContact CB-CG2 3.67Å; F92-V98 HydrophobicContact CD1-CB 4.33Å; F92-V98 HydrophobicContact CD1-CG1 3.61Å; F92-V98 HydrophobicContact CD1-CG2 3.98Å; F92-V98 HydrophobicContact CD2-CG1 3.98Å; F92-V98 HydrophobicContact CD2-CG2 4.43Å; F92-V98 HydrophobicContact CE1-CG1 3.62Å; F92-V98 HydrophobicContact CE2-CG1 3.99Å; F92-V98 HydrophobicContact CG-CB 4.42Å; F92-V98 HydrophobicContact CG-CG1 3.79Å; F92-V98 HydrophobicContact CG-CG2 3.76Å; F92-V98 HydrophobicContact CZ-CG1 3.82Å; F92-I100 HydrophobicContact CZ-CD1 4.29Å; F92-I100 HydrophobicContact CZ-CG1 4.33Å | ||
| 93 | D | 94.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | trans | -91.2 | 108.5 | 169.4 | 175.5 | -14.1 | 0 | 0 | 0 | 107.8 | T73 Y74 S95 K96 | T73-D93 WeakPolarHBondContact OG1-CB 3.46Å; T73-D93 PolarHBondContact OG1-N 3.37Å; Y74-D93 HydrophobicContact CE1-CB 4.02Å; Y74-D93 HydrophobicContact CE2-CB 4.22Å; D93-S95 PolarHBondContact O-N 2.88Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 2.91Å; D93-S95 PolarHBondContact OD1-OG 3.12Å; D93-K96 HydrophobicContact CB-CD 4.05Å; D93-K96 HydrophobicContact CB-CG 4.39Å; D93-K96 PolarHBondContact O-N 3.03Å; D93-K96 WeakPolarHBondContact OD2-CD 3.43Å; D93-K96 WeakPolarHBondContact OD2-CE 3.41Å; D93-K96 IonicContact OD2-NZ 2.67Å; D93-K96 PolarHBondContact OD2-NZ 3.36Å | ||
| 94 | P | 93.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 17% | 0.169 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 1.5 | -176.7 | -21.7 | 34.6 | 0 | 0 | 0 | 115.1 | F92 P128 F225 | F92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-P128 VanDerWaalsContact O-CB 3.28Å; P94-P128 WeakPolarHBondContact O-CB 3.4Å; P94-F225 HydrophobicContact CB-CD2 4.39Å; P94-F225 HydrophobicContact CB-CE1 4.27Å; P94-F225 HydrophobicContact CB-CE2 3.85Å; P94-F225 HydrophobicContact CB-CZ 3.79Å; P94-F225 HydrophobicContact CG-CD1 4.12Å; P94-F225 HydrophobicContact CG-CD2 4.47Å; P94-F225 HydrophobicContact CG-CE1 3.8Å; P94-F225 HydrophobicContact CG-CE2 4.2Å; P94-F225 HydrophobicContact CG-CG 4.45Å; P94-F225 HydrophobicContact CG-CZ 3.85Å |
| 95 | S | 91.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -2.6 | 172.1 | 74.7 | 0 | 0 | 0 | 0 | 114.6 | D93 P128 | D93-S95 PolarHBondContact O-N 2.88Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 2.91Å; D93-S95 PolarHBondContact OD1-OG 3.12Å; S95-P128 WeakPolarHBondContact O-CG 3.4Å |
| 96 | K | 93.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 35.9 Ų | 35.9 | 40% | 0.404 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -119.5 | 164.8 | -178.5 | -66.7 | 173.7 | -177.4 | 139.3 | 0 | 112.3 | T73 D93 | T73-K96 HydrophobicContact CG2-CB 4.11Å; T73-K96 HydrophobicContact CG2-CD 4.34Å; T73-K96 PolarHBondContact O-NZ 3.17Å; D93-K96 HydrophobicContact CB-CD 4.05Å; D93-K96 HydrophobicContact CB-CG 4.39Å; D93-K96 PolarHBondContact O-N 3.03Å; D93-K96 WeakPolarHBondContact OD2-CD 3.43Å; D93-K96 WeakPolarHBondContact OD2-CE 3.41Å; D93-K96 IonicContact OD2-NZ 2.67Å; D93-K96 PolarHBondContact OD2-NZ 3.36Å |
| 97 | D | 95.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | trans | -68.7 | 134.4 | 170.8 | -75.8 | 21.8 | 0 | 0 | 0 | 109.8 | L126 K127 P128 | D97-L126 CarbonylContact C-O 3.46Å; D97-L126 VanDerWaalsContact CA-O 3.31Å; D97-L126 WeakPolarHBondContact CA-O 3.31Å; D97-K127 WeakPolarHBondContact OD2-CE 3.44Å; D97-P128 WeakPolarHBondContact OD1-CD 3.19Å | ||
| 98 | V | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.5 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | M46 F92 I100 I125 L126 | M46-V98 HydrophobicContact CE-CG2 4.33Å; M46-V98 HydrophobicContact SD-CG2 4.44Å; F92-V98 HydrophobicContact CB-CG2 3.67Å; F92-V98 HydrophobicContact CD1-CB 4.33Å; F92-V98 HydrophobicContact CD1-CG1 3.61Å; F92-V98 HydrophobicContact CD1-CG2 3.98Å; F92-V98 HydrophobicContact CD2-CG1 3.98Å; F92-V98 HydrophobicContact CD2-CG2 4.43Å; F92-V98 HydrophobicContact CE1-CG1 3.62Å; F92-V98 HydrophobicContact CE2-CG1 3.99Å; F92-V98 HydrophobicContact CG-CB 4.42Å; F92-V98 HydrophobicContact CG-CG1 3.79Å; F92-V98 HydrophobicContact CG-CG2 3.76Å; F92-V98 HydrophobicContact CZ-CG1 3.82Å; V98-I100 HydrophobicContact CG1-CD1 3.85Å; V98-I100 HydrophobicContact CG1-CG1 4.18Å; V98-I125 VanDerWaalsContact O-CA 3.32Å; V98-I125 WeakPolarHBondContact O-CA 3.38Å; V98-L126 HydrophobicContact CB-CB 4.19Å; V98-L126 PolarHBondContact N-O 3Å; V98-L126 PolarHBondContact O-N 2.88Å |
| 99 | H | 97.3 | Very high | 93.7 | Very high | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.8 | -179.4 | -57.6 | -91.6 | 0 | 0 | 0 | 110.5 | Y70 F71 W78 | Y70-H99 VanDerWaalsContact CA-O 3.31Å; Y70-H99 WeakPolarHBondContact CA-O 3.36Å; F71-H99 HydrophobicContact CB-CB 4.08Å; F71-H99 PolarHBondContact N-O 2.87Å; W78-H99 HydrophobicContact CH2-CB 3.76Å; W78-H99 HydrophobicContact CZ2-CB 4.25Å |
| 100 | I | 98.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141 | -179.1 | -67.9 | 157.5 | 0 | 0 | 0 | 109.4 | L35 V37 I48 L68 E69 F92 V98 V102 E123 M124 | L35-I100 HydrophobicContact CD1-CG2 4.27Å; L35-I100 HydrophobicContact CD2-CG2 4.22Å; V37-I100 HydrophobicContact CG2-CD1 3.5Å; V37-I100 VanDerWaalsContact CG2-CD1 3.5Å; I48-I100 HydrophobicContact CD1-CD1 3.66Å; I48-I100 HydrophobicContact CD1-CG1 3.98Å; I48-I100 HydrophobicContact CD1-CG2 4.47Å; I48-I100 HydrophobicContact CG1-CD1 3.85Å; I48-I100 HydrophobicContact CG2-CD1 4.32Å; I48-I100 HydrophobicContact CG2-CG2 4.02Å; L68-I100 HydrophobicContact CD1-CG2 3.78Å; E69-I100 CarbonylContact O-C 3.5Å; E69-I100 WeakPolarHBondContact O-CA 3.5Å; F92-I100 HydrophobicContact CZ-CD1 4.29Å; F92-I100 HydrophobicContact CZ-CG1 4.33Å; V98-I100 HydrophobicContact CG1-CD1 3.85Å; V98-I100 HydrophobicContact CG1-CG1 4.18Å; I100-V102 HydrophobicContact CG2-CG2 4.32Å; I100-E123 CarbonylContact O-C 3.6Å; I100-E123 VanDerWaalsContact O-CA 3.23Å; I100-E123 WeakPolarHBondContact O-CA 3.27Å; I100-E123 WeakPolarHBondContact O-CB 3.19Å; I100-M124 PolarHBondContact N-O 2.95Å; I100-M124 PolarHBondContact O-N 3.36Å |
| 101 | R | 98.2 | Very high | 92.6 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.9 | 170.5 | -57.5 | -170.9 | 166.3 | 127 | 2 | 110.4 | E69 W78 Y103 C121 T122 E123 | E69-R101 HydrophobicContact CB-CB 4.32Å; E69-R101 PolarHBondContact N-O 3.04Å; E69-R101 PolarHBondContact O-N 3.41Å; W78-R101 HydrophobicContact CH2-CG 4.44Å; W78-R101 HydrophobicContact CZ3-CG 4.41Å; R101-Y103 HydrophobicContact CB-CE2 4.14Å; R101-C121 HydrophobicContact CB-CB 4.36Å; R101-T122 WeakPolarHBondContact CA-O 3.45Å; R101-E123 HydrophobicContact CG-CB 3.84Å; R101-E123 IonicContact CZ-OE2 3.15Å; R101-E123 IonicContact NE-OE2 3.17Å; R101-E123 PolarHBondContact NE-OE2 2.84Å; R101-E123 IonicContact NH2-OE2 2.72Å; R101-E123 PolarHBondContact NH2-OE2 3.07Å; R101-E123 VanDerWaalsContact NH2-OE2 3.12Å |
| 102 | V | 98.2 | Very high | 92 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 131.9 | 172.4 | -155.1 | 0 | 0 | 0 | 0 | 110.6 | P32 L35 W50 Q67 L68 I100 C121 T122 | P32-V102 WeakPolarHBondContact CD-O 3.31Å; P32-V102 HydrophobicContact CG-CB 4.04Å; P32-V102 HydrophobicContact CG-CG1 3.83Å; L35-V102 HydrophobicContact CD1-CG2 3.81Å; L35-V102 HydrophobicContact CD2-CG2 4.2Å; W50-V102 HydrophobicContact CD2-CG1 4.09Å; W50-V102 HydrophobicContact CD2-CG2 4.37Å; W50-V102 HydrophobicContact CE3-CG2 4.2Å; W50-V102 HydrophobicContact CG-CG1 4.39Å; W50-V102 HydrophobicContact CZ2-CG1 4.28Å; Q67-V102 WeakPolarHBondContact O-CA 3.24Å; L68-V102 HydrophobicContact CD1-CG2 4Å; I100-V102 HydrophobicContact CG2-CG2 4.32Å; V102-C121 WeakPolarHBondContact O-CA 3.46Å; V102-C121 WeakPolarHBondContact O-CB 3.49Å; V102-T122 PolarHBondContact N-O 2.88Å; V102-T122 PolarHBondContact O-N 2.82Å |
| 103 | Y | 97.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.6 | 176.1 | -59.9 | -103.7 | 0 | 0 | 0 | 109.8 | Y66 Q67 E69 R101 M117 S118 C121 | Y66-Y103 VanDerWaalsContact CA-O 3.27Å; Y66-Y103 WeakPolarHBondContact CA-O 3.17Å; Q67-Y103 PolarHBondContact N-O 2.99Å; Q67-Y103 PolarHBondContact O-N 2.88Å; E69-Y103 HydrophobicContact CG-CD2 4.48Å; E69-Y103 HydrophobicContact CG-CE2 4.18Å; R101-Y103 HydrophobicContact CB-CE2 4.14Å; Y103-M117 HydrophobicContact CD1-CE 3.75Å; Y103-M117 HydrophobicContact CD1-CG 4.46Å; Y103-M117 HydrophobicContact CD1-SD 4.38Å; Y103-M117 HydrophobicContact CE1-CE 4.09Å; Y103-M117 HydrophobicContact CG-CE 4.24Å; Y103-M117 HydrophobicContact CG-SD 4.35Å; Y103-S118 WeakPolarHBondContact CA-OG 3.49Å; Y103-C121 HydrophobicContact CD1-CB 3.77Å; Y103-C121 HydrophobicContact CD2-CB 3.97Å; Y103-C121 HydrophobicContact CE1-CB 3.58Å; Y103-C121 HydrophobicContact CE2-CB 3.76Å; Y103-C121 HydrophobicContact CG-CB 3.96Å |
| 104 | T | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138.7 | 170.5 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | V29 D30 P31 P32 P53 L56 P64 M117 S118 | V29-T104 HydrophobicContact CG1-CG2 4.28Å; V29-T104 HydrophobicContact CG2-CG2 3.73Å; D30-T104 WeakPolarHBondContact O-CB 3.25Å; D30-T104 PolarHBondContact O-OG1 2.91Å; P31-T104 WeakPolarHBondContact CA-OG1 3.36Å; P32-T104 WeakPolarHBondContact CD-OG1 3.4Å; P53-T104 HydrophobicContact CG-CG2 4.09Å; P53-T104 WeakPolarHBondContact CG-OG1 3.39Å; L56-T104 HydrophobicContact CD1-CG2 4.05Å; P64-T104 HydrophobicContact CB-CG2 4.22Å; T104-M117 CarbonylContact O-C 3.58Å; T104-M117 VanDerWaalsContact O-CA 3.28Å; T104-M117 WeakPolarHBondContact O-CA 3.46Å; T104-M117 WeakPolarHBondContact O-CG 3.46Å; T104-S118 PolarHBondContact N-OG 2.93Å; T104-S118 PolarHBondContact O-N 3.01Å |
| 105 | I | 93.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.1 | 172.9 | -70.2 | 168.7 | 0 | 0 | 0 | 109.4 | P64 Q65 Q67 R82 M115 I116 M117 | P64-I105 WeakPolarHBondContact CA-O 3.44Å; Q65-I105 HydrophobicContact CB-CB 4.16Å; Q65-I105 HydrophobicContact CB-CG2 4.28Å; Q65-I105 PolarHBondContact N-O 2.88Å; Q65-I105 PolarHBondContact O-N 2.9Å; Q67-I105 HydrophobicContact CB-CD1 3.76Å; R82-I105 HydrophobicContact CG-CD1 4.16Å; I105-M115 HydrophobicContact CD1-CE 3.75Å; I105-M115 HydrophobicContact CG1-CE 4.01Å; I105-M115 HydrophobicContact CG2-CE 3.72Å; I105-M115 HydrophobicContact CG2-CG 4.32Å; I105-I116 CarbonylContact C-O 3.58Å; I105-I116 WeakPolarHBondContact CA-O 2.94Å; I105-M117 HydrophobicContact CD1-SD 4.36Å; I105-M117 HydrophobicContact CG1-CB 4.22Å; I105-M117 HydrophobicContact CG1-CG 3.78Å; I105-M117 HydrophobicContact CG1-SD 4.22Å |
| 106 | L | 91.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.7 | 168.7 | -65.9 | 178.2 | 0 | 0 | 0 | 110.3 | V29 L56 C62 P64 T111 I116 | V29-L106 HydrophobicContact CB-CD1 3.93Å; V29-L106 HydrophobicContact CB-CG 4.43Å; V29-L106 HydrophobicContact CG2-CD1 3.68Å; V29-L106 HydrophobicContact CG2-CG 4.06Å; L56-L106 HydrophobicContact CD1-CD2 3.91Å; L56-L106 HydrophobicContact CD2-CD1 4.22Å; L56-L106 HydrophobicContact CD2-CD2 4.38Å; C62-L106 HydrophobicContact CB-CD2 4.25Å; P64-L106 HydrophobicContact CB-CD2 4.21Å; L106-T111 HydrophobicContact CB-CG2 3.49Å; L106-T111 VanDerWaalsContact CB-CG2 3.49Å; L106-T111 HydrophobicContact CD1-CG2 4.14Å; L106-T111 HydrophobicContact CG-CG2 4.48Å; L106-I116 PolarHBondContact N-O 3.2Å; L106-I116 PolarHBondContact O-N 2.86Å |
| 107 | N | 86.8 | Confident | 90.9 | Very high | 92 Ų | 92 | 54 Ų | 54 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | trans | -157.9 | 163.4 | 179.4 | -166.7 | 13.2 | 0 | 0 | 0 | 110.7 | C110 T111 | N107-C110 PolarHBondContact O-SG 2.96Å; N107-C110 VanDerWaalsContact O-SG 3.32Å; N107-T111 WeakPolarHBondContact CA-OG1 3.37Å | ||
| 108 | G | 82.9 | Confident | 90.8 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 84.2 | -155.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C110 T111 N112 N113 | G108-C110 VanDerWaalsContact C-N 3.26Å; G108-C110 PolarHBondContact O-N 3.18Å; G108-T111 CarbonylContact O-C 3.54Å; G108-T111 PolarHBondContact O-N 2.77Å; G108-T111 PolarHBondContact O-OG1 2.99Å; G108-N112 PolarHBondContact O-N 2.75Å; G108-N113 VanDerWaalsContact C-OD1 3.32Å; G108-N113 WeakPolarHBondContact CA-OD1 3.09Å; G108-N113 WeakPolarHBondContact O-CA 3.4Å; G108-N113 PolarHBondContact O-N 3.21Å |
| 109 | E | 81.5 | Confident | 90.7 | Very high | 178 Ų | 178 | 59 Ų | 59 | 83% | 0.832 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -57 | -37.6 | -170.5 | -62.4 | 176.3 | 166.7 | 0 | 0 | 113 | T111 N112 | E109-T111 PolarHBondContact O-N 2.61Å; E109-N112 PolarHBondContact O-N 3.45Å |
| 110 | C | 82.5 | Confident | 90.5 | Very high | 51 Ų | 51 | 62 Ų | 62 | 35% | 0.345 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -59.6 | -19.3 | 177.9 | 68.9 | 0 | 0 | 0 | 0 | 115 | C62 N107 G108 | C62-C110 HydrophobicContact CB-CB 4.27Å; C62-C110 WeakPolarHBondContact SG-CB 3.22Å; N107-C110 PolarHBondContact O-SG 2.96Å; N107-C110 VanDerWaalsContact O-SG 3.32Å; G108-C110 VanDerWaalsContact C-N 3.26Å; G108-C110 PolarHBondContact O-N 3.18Å |
| 111 | T | 83.9 | Confident | 90.4 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 9% | 0.086 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -122 | 23.7 | 177 | 49.6 | 0 | 0 | 0 | 0 | 111.9 | L106 N107 G108 E109 N113 T114 I116 | L106-T111 HydrophobicContact CB-CG2 3.49Å; L106-T111 VanDerWaalsContact CB-CG2 3.49Å; L106-T111 HydrophobicContact CD1-CG2 4.14Å; L106-T111 HydrophobicContact CG-CG2 4.48Å; N107-T111 WeakPolarHBondContact CA-OG1 3.37Å; G108-T111 CarbonylContact O-C 3.54Å; G108-T111 PolarHBondContact O-N 2.77Å; G108-T111 PolarHBondContact O-OG1 2.99Å; E109-T111 PolarHBondContact O-N 2.61Å; T111-N113 PolarHBondContact O-N 3.45Å; T111-T114 WeakPolarHBondContact CB-O 3.42Å; T111-T114 WeakPolarHBondContact O-CB 2.97Å; T111-T114 PolarHBondContact O-N 3.49Å; T111-T114 PolarHBondContact O-OG1 2.83Å; T111-T114 PolarHBondContact OG1-O 3.27Å; T111-I116 HydrophobicContact CG2-CB 4.28Å; T111-I116 HydrophobicContact CG2-CD1 3.58Å; T111-I116 HydrophobicContact CG2-CG1 4.1Å |
| 112 | N | 84.7 | Confident | 90.4 | Very high | 138 Ų | 138 | 61.5 Ų | 61.5 | 74% | 0.738 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.1 | -176 | -166.6 | 29.6 | 0 | 0 | 0 | 112.6 | G108 E109 T114 | G108-N112 PolarHBondContact O-N 2.75Å; E109-N112 PolarHBondContact O-N 3.45Å; N112-T114 PolarHBondContact O-N 2.02Å |
| 113 | N | 83.8 | Confident | 90.3 | Very high | 117 Ų | 117 | 66.4 Ų | 66.4 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.8 | -175.8 | -59.2 | -53.8 | 0 | 0 | 0 | 115.6 | G108 T111 | G108-N113 VanDerWaalsContact C-OD1 3.32Å; G108-N113 WeakPolarHBondContact CA-OD1 3.09Å; G108-N113 WeakPolarHBondContact O-CA 3.4Å; G108-N113 PolarHBondContact O-N 3.21Å; T111-N113 PolarHBondContact O-N 3.45Å |
| 114 | T | 87.1 | Confident | 90.3 | Very high | 74 Ų | 74 | 67.4 Ų | 67.4 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | trans | -93.2 | 140.3 | 168 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | T111 N112 | T111-T114 WeakPolarHBondContact CB-O 3.42Å; T111-T114 WeakPolarHBondContact O-CB 2.97Å; T111-T114 PolarHBondContact O-N 3.49Å; T111-T114 PolarHBondContact O-OG1 2.83Å; T111-T114 PolarHBondContact OG1-O 3.27Å; N112-T114 PolarHBondContact O-N 2.02Å | ||
| 115 | M | 89.1 | Confident | 90.3 | Very high | 95 Ų | 95 | 71.6 Ų | 71.6 | 47% | 0.468 | 38% | 0.378 | S | S | . | . | trans | -81.2 | 119.8 | 171.2 | -177 | -173 | 167.9 | 0 | 0 | 108.9 | I105 | I105-M115 HydrophobicContact CD1-CE 3.75Å; I105-M115 HydrophobicContact CG1-CE 4.01Å; I105-M115 HydrophobicContact CG2-CE 3.72Å; I105-M115 HydrophobicContact CG2-CG 4.32Å | ||
| 116 | I | 91.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.8 | 176.9 | -64.1 | 173.7 | 0 | 0 | 0 | 108.4 | I27 V29 I105 L106 T111 | I27-I116 VanDerWaalsContact O-CD1 3.22Å; I27-I116 WeakPolarHBondContact O-CD1 3.44Å; I27-I116 VanDerWaalsContact O-CG2 3.25Å; I27-I116 WeakPolarHBondContact O-CG2 3.44Å; V29-I116 HydrophobicContact CB-CG2 4.49Å; V29-I116 HydrophobicContact CG1-CG2 4Å; I105-I116 CarbonylContact C-O 3.58Å; I105-I116 WeakPolarHBondContact CA-O 2.94Å; L106-I116 PolarHBondContact N-O 3.2Å; L106-I116 PolarHBondContact O-N 2.86Å; T111-I116 HydrophobicContact CG2-CB 4.28Å; T111-I116 HydrophobicContact CG2-CD1 3.58Å; T111-I116 HydrophobicContact CG2-CG1 4.1Å |
| 117 | M | 93.5 | Very high | 90.4 | Very high | 72 Ų | 72 | 81.1 Ų | 81.1 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.5 | 172.6 | -167.5 | 173 | 86.7 | 0 | 0 | 109.3 | Y103 T104 I105 E119 | Y103-M117 HydrophobicContact CD1-CE 3.75Å; Y103-M117 HydrophobicContact CD1-CG 4.46Å; Y103-M117 HydrophobicContact CD1-SD 4.38Å; Y103-M117 HydrophobicContact CE1-CE 4.09Å; Y103-M117 HydrophobicContact CG-CE 4.24Å; Y103-M117 HydrophobicContact CG-SD 4.35Å; T104-M117 CarbonylContact O-C 3.58Å; T104-M117 VanDerWaalsContact O-CA 3.28Å; T104-M117 WeakPolarHBondContact O-CA 3.46Å; T104-M117 WeakPolarHBondContact O-CG 3.46Å; I105-M117 HydrophobicContact CD1-SD 4.36Å; I105-M117 HydrophobicContact CG1-CB 4.22Å; I105-M117 HydrophobicContact CG1-CG 3.78Å; I105-M117 HydrophobicContact CG1-SD 4.22Å; M117-E119 PolarHBondContact O-N 2.85Å |
| 118 | S | 94.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.014 | 41% | 0.409 | C | S | . | . | trans | -62.9 | 131.6 | 174 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | V29 Y103 T104 N120 | V29-S118 WeakPolarHBondContact O-CA 3.47Å; V29-S118 WeakPolarHBondContact O-CB 3.15Å; Y103-S118 WeakPolarHBondContact CA-OG 3.49Å; T104-S118 PolarHBondContact N-OG 2.93Å; T104-S118 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 CarbonylContact C-O 3.55Å; S118-N120 VanDerWaalsContact CB-O 3.27Å; S118-N120 WeakPolarHBondContact CB-O 3.23Å; S118-N120 PolarHBondContact OG-O 3Å | ||
| 119 | E | 92.2 | Very high | 90.6 | Very high | 164 Ų | 164 | 81.3 Ų | 81.3 | 77% | 0.766 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -65.8 | -40.3 | 179.2 | -62.5 | -179.6 | 160.4 | 0 | 0 | 111.2 | M117 | M117-E119 PolarHBondContact O-N 2.85Š|
| 120 | N | 94.1 | Very high | 90.3 | Very high | 119 Ų | 119 | 79 Ų | 79 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -88.6 | 162.3 | 169.4 | -66.9 | -44.6 | 0 | 0 | 0 | 110.8 | P31 S118 | P31-N120 HydrophobicContact CG-CB 4.38Å; S118-N120 VanDerWaalsContact C-N 3.34Å; S118-N120 CarbonylContact C-O 3.55Å; S118-N120 VanDerWaalsContact CB-O 3.27Å; S118-N120 WeakPolarHBondContact CB-O 3.23Å; S118-N120 PolarHBondContact OG-O 3Å |
| 121 | C | 95.9 | Very high | 90.3 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | trans | -118.4 | 162.7 | 165.5 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | R101 V102 Y103 | R101-C121 HydrophobicContact CB-CB 4.36Å; V102-C121 WeakPolarHBondContact O-CA 3.46Å; V102-C121 WeakPolarHBondContact O-CB 3.49Å; Y103-C121 HydrophobicContact CD1-CB 3.77Å; Y103-C121 HydrophobicContact CD2-CB 3.97Å; Y103-C121 HydrophobicContact CE1-CB 3.58Å; Y103-C121 HydrophobicContact CE2-CB 3.76Å; Y103-C121 HydrophobicContact CG-CB 3.96Å | ||
| 122 | T | 97.2 | Very high | 90.5 | Very high | 38 Ų | 38 | 80.9 Ų | 80.9 | 23% | 0.233 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119 | 162.2 | -61.9 | 0 | 0 | 0 | 0 | 107.2 | P32 L35 R101 V102 | P32-T122 VanDerWaalsContact O-CB 3.25Å; P32-T122 WeakPolarHBondContact O-CB 3.21Å; P32-T122 PolarHBondContact O-OG1 3.13Å; L35-T122 HydrophobicContact CB-CG2 3.59Å; L35-T122 HydrophobicContact CD2-CG2 3.98Å; L35-T122 WeakPolarHBondContact CD2-O 3.46Å; L35-T122 HydrophobicContact CG-CG2 4.45Å; R101-T122 WeakPolarHBondContact CA-O 3.45Å; V102-T122 PolarHBondContact N-O 2.88Å; V102-T122 PolarHBondContact O-N 2.82Å |
| 123 | E | 97.1 | Very high | 90.8 | Very high | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150.9 | -177.8 | 70.3 | 172.9 | -169.6 | 0 | 0 | 112.8 | I100 R101 | I100-E123 CarbonylContact O-C 3.6Å; I100-E123 VanDerWaalsContact O-CA 3.23Å; I100-E123 WeakPolarHBondContact O-CA 3.27Å; I100-E123 WeakPolarHBondContact O-CB 3.19Å; R101-E123 HydrophobicContact CG-CB 3.84Å; R101-E123 IonicContact CZ-OE2 3.15Å; R101-E123 IonicContact NE-OE2 3.17Å; R101-E123 PolarHBondContact NE-OE2 2.84Å; R101-E123 IonicContact NH2-OE2 2.72Å; R101-E123 PolarHBondContact NH2-OE2 3.07Å; R101-E123 VanDerWaalsContact NH2-OE2 3.12Å |
| 124 | M | 96.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 78 Ų | 78 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.3 | 176.8 | -163.9 | -177.4 | -152.3 | 0 | 0 | 109.6 | L35 V37 I100 L126 | L35-M124 HydrophobicContact CD2-CB 3.79Å; L35-M124 HydrophobicContact CG-CB 4.23Å; V37-M124 HydrophobicContact CB-SD 4.18Å; V37-M124 HydrophobicContact CG2-SD 3.62Å; I100-M124 PolarHBondContact N-O 2.95Å; I100-M124 PolarHBondContact O-N 3.36Å; M124-L126 HydrophobicContact CE-CD2 3.72Å; M124-L126 HydrophobicContact CG-CD2 4.33Å; M124-L126 HydrophobicContact SD-CD2 3.93Å; M124-L126 HydrophobicContact SD-CG 4.38Å |
| 125 | I | 96.4 | Very high | 91.3 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 106.9 | 172.2 | -54.6 | 179.4 | 0 | 0 | 0 | 108 | V98 | V98-I125 VanDerWaalsContact O-CA 3.32Å; V98-I125 WeakPolarHBondContact O-CA 3.38Å |
| 126 | L | 94 | Very high | 91.5 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 134.3 | 169.7 | -56 | 176.6 | 0 | 0 | 0 | 109.1 | V37 M46 D97 V98 M124 | V37-L126 HydrophobicContact CB-CD1 3.92Å; V37-L126 HydrophobicContact CG1-CD1 3.73Å; V37-L126 HydrophobicContact CG2-CD1 4.47Å; M46-L126 HydrophobicContact SD-CD1 4.25Å; D97-L126 CarbonylContact C-O 3.46Å; D97-L126 VanDerWaalsContact CA-O 3.31Å; D97-L126 WeakPolarHBondContact CA-O 3.31Å; V98-L126 HydrophobicContact CB-CB 4.19Å; V98-L126 PolarHBondContact N-O 3Å; V98-L126 PolarHBondContact O-N 2.88Å; M124-L126 HydrophobicContact CE-CD2 3.72Å; M124-L126 HydrophobicContact CG-CD2 4.33Å; M124-L126 HydrophobicContact SD-CD2 3.93Å; M124-L126 HydrophobicContact SD-CG 4.38Å |
| 127 | K | 93.4 | Very high | 91.6 | Very high | 162 Ų | 162 | 71.7 Ų | 71.7 | 70% | 0.704 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -97.8 | 142 | 170.5 | -62.5 | -161.8 | 170.1 | -173 | 0 | 110.2 | D97 | D97-K127 WeakPolarHBondContact OD2-CE 3.44Š|
| 128 | P | 89.9 | Confident | 91.7 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 146.9 | -178 | 29.6 | -35.2 | 0 | 0 | 0 | 110 | P94 S95 D97 S130 | P94-P128 VanDerWaalsContact O-CB 3.28Å; P94-P128 WeakPolarHBondContact O-CB 3.4Å; S95-P128 WeakPolarHBondContact O-CG 3.4Å; D97-P128 WeakPolarHBondContact OD1-CD 3.19Å; P128-S130 PolarHBondContact O-N 2.87Å |
| 129 | P | 83.7 | Confident | 91.6 | Very high | 80 Ų | 80 | 72.4 Ų | 72.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 133.5 | 178.2 | 25.2 | -33.5 | 0 | 0 | 0 | 110.7 | T131 | P129-T131 HydrophobicContact CB-CG2 4.12Å; P129-T131 PolarHBondContact O-N 3.02Å; P129-T131 PolarHBondContact O-OG1 2.89Å |
| 130 | S | 75.8 | Confident | 91.8 | Very high | 131 Ų | 131 | 68.2 Ų | 68.2 | 92% | 0.916 | 39% | 0.389 | S | S | * | . | trans | -77.6 | 54.9 | 176.8 | -160 | 0 | 0 | 0 | 0 | 111.5 | P128 | P128-S130 PolarHBondContact O-N 2.87Š| ||
| 131 | T | 82.8 | Confident | 91.9 | Very high | 82 Ų | 82 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | trans | -103.3 | 144.4 | -179.4 | 49.5 | 0 | 0 | 0 | 0 | 111 | P129 K222 | P129-T131 HydrophobicContact CB-CG2 4.12Å; P129-T131 PolarHBondContact O-N 3.02Å; P129-T131 PolarHBondContact O-OG1 2.89Å; T131-K222 WeakPolarHBondContact O-CD 3.38Å; T131-K222 PolarHBondContact O-NZ 3.39Å | ||
| 132 | G | 88 | Confident | 92 | Very high | 21 Ų | 21 | 65.6 Ų | 65.6 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 94.5 | 141.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | L134 P220 | G132-L134 PolarHBondContact O-N 3.15Å; G132-P220 WeakPolarHBondContact CA-O 3.35Å |
| 133 | L | 90.9 | Very high | 91.9 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -64.5 | 124.6 | -179.2 | -64.8 | 168 | 0 | 0 | 0 | 111.7 | T136 E218 P220 | L133-T136 HydrophobicContact CB-CG2 3.63Å; L133-T136 WeakPolarHBondContact O-CB 3.4Å; L133-T136 WeakPolarHBondContact O-CG2 3.5Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.1Å; L133-E218 HydrophobicContact CD1-CB 3.73Å; L133-P220 PolarHBondContact N-O 2.89Å |
| 134 | L | 91.1 | Very high | 91.9 | Very high | 138 Ų | 138 | 60.1 Ų | 60.1 | 72% | 0.723 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 134.3 | -179.9 | -62.2 | 177.1 | 0 | 0 | 0 | 111.9 | G132 K160 | G132-L134 PolarHBondContact O-N 3.15Å; L134-K160 WeakPolarHBondContact O-CD 3.38Å |
| 135 | G | 90.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 5.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | E137 G158 L159 K160 | G135-E137 WeakPolarHBondContact CA-OE1 3.46Å; G135-E137 WeakPolarHBondContact CA-OE2 3.44Å; G135-E137 PolarHBondContact N-OE2 3.49Å; G135-G158 CarbonylContact O-C 3.56Å; G135-G158 WeakPolarHBondContact O-CA 3.46Å; G135-L159 PolarHBondContact O-N 3.22Å; G135-K160 PolarHBondContact O-N 3.46Å |
| 136 | T | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | trans | -105.9 | -2.3 | 178.2 | 71.7 | 0 | 0 | 0 | 0 | 114.3 | L133 K160 T161 Q167 L221 K222 | L133-T136 HydrophobicContact CB-CG2 3.63Å; L133-T136 WeakPolarHBondContact O-CB 3.4Å; L133-T136 WeakPolarHBondContact O-CG2 3.5Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.1Å; T136-K160 HydrophobicContact CG2-CB 4.24Å; T136-T161 VanDerWaalsContact CA-OG1 3.32Å; T136-T161 WeakPolarHBondContact CA-OG1 3.34Å; T136-T161 PolarHBondContact O-OG1 2.81Å; T136-T161 VanDerWaalsContact O-OG1 3.14Å; T136-Q167 PolarHBondContact O-NE2 3.41Å; T136-L221 HydrophobicContact CG2-CD2 4.21Å; T136-L221 WeakPolarHBondContact OG1-CA 3.3Å; T136-K222 PolarHBondContact OG1-N 3.13Å | ||
| 137 | E | 92.9 | Very high | 91.2 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -54.2 | 147.4 | 174.9 | 63.3 | -71.9 | 160 | 0 | 0 | 112.8 | G135 K139 G158 K222 | G135-E137 WeakPolarHBondContact CA-OE1 3.46Å; G135-E137 WeakPolarHBondContact CA-OE2 3.44Å; G135-E137 PolarHBondContact N-OE2 3.49Å; E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.85Å; E137-K139 PolarHBondContact OE1-NZ 2.99Å; E137-G158 WeakPolarHBondContact O-CA 3.48Å; E137-G158 PolarHBondContact O-N 2.97Å; E137-K222 WeakPolarHBondContact CA-O 3.34Å; E137-K222 HydrophobicContact CB-CB 4.17Å; E137-K222 HydrophobicContact CB-CG 4.27Å |
| 138 | A | 94.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -73.7 | 139.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | W155 V212 T224 | A138-W155 HydrophobicContact CB-CB 4.47Å; A138-W155 HydrophobicContact CB-CG 4.39Å; A138-V212 HydrophobicContact CB-CB 3.79Å; A138-V212 HydrophobicContact CB-CG1 3.63Å; A138-V212 HydrophobicContact CB-CG2 4.41Å; A138-T224 PolarHBondContact N-OG1 3.45Å | ||
| 139 | K | 93.6 | Very high | 90.7 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.3 | -173.9 | -56.1 | -166.3 | -179.3 | -164.9 | 0 | 111.2 | E137 F141 T156 | E137-K139 WeakPolarHBondContact OE1-CE 3.36Å; E137-K139 IonicContact OE1-NZ 2.85Å; E137-K139 PolarHBondContact OE1-NZ 2.99Å; K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.88Å; K139-T156 VanDerWaalsContact C-OG1 3.29Å; K139-T156 WeakPolarHBondContact CB-OG1 3.35Å; K139-T156 PolarHBondContact N-O 3.01Å; K139-T156 PolarHBondContact O-N 2.89Å; K139-T156 PolarHBondContact O-OG1 2.88Å |
| 140 | A | 95.2 | Very high | 90.9 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 63% | 0.628 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 48.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I142 | A140-I142 PolarHBondContact O-N 2.98Å |
| 141 | F | 97 | Very high | 91.7 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 13% | 0.127 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.6 | 169.6 | -177.7 | -98.5 | 0 | 0 | 0 | 108.8 | K139 C143 C153 S154 W155 L169 F210 V212 F226 L228 | K139-F141 VanDerWaalsContact C-N 3.26Å; K139-F141 PolarHBondContact O-N 2.88Å; F141-C143 VanDerWaalsContact CZ-SG 3.57Å; F141-C153 HydrophobicContact CE2-CB 4.06Å; F141-C153 HydrophobicContact CZ-CB 4.03Å; F141-S154 WeakPolarHBondContact CA-O 3.44Å; F141-W155 HydrophobicContact CD2-CB 4.17Å; F141-W155 HydrophobicContact CD2-CE3 4.36Å; F141-W155 HydrophobicContact CE2-CE3 4.32Å; F141-L169 HydrophobicContact CE2-CD1 3.68Å; F141-L169 HydrophobicContact CZ-CD1 4.16Å; F141-F210 HydrophobicContact CE1-CB 4.11Å; F141-F210 HydrophobicContact CE1-CD2 4.34Å; F141-F210 HydrophobicContact CE1-CG 4.14Å; F141-F210 HydrophobicContact CZ-CB 3.85Å; F141-F210 AromaticContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD2 4.42Å; F141-F210 AromaticContact CZ-CG 3.84Å; F141-F210 HydrophobicContact CZ-CG 3.84Å; F141-V212 HydrophobicContact CD2-CG2 3.99Å; F141-V212 HydrophobicContact CE2-CG2 4.06Å; F141-F226 HydrophobicContact CB-CD1 4.07Å; F141-F226 HydrophobicContact CB-CD2 4.08Å; F141-F226 HydrophobicContact CB-CE1 3.59Å; F141-F226 HydrophobicContact CB-CE2 3.6Å; F141-F226 HydrophobicContact CB-CG 4.3Å; F141-F226 HydrophobicContact CB-CZ 3.33Å; F141-F226 HydrophobicContact CD1-CB 3.92Å; F141-F226 AromaticContact CD1-CD1 3.88Å; F141-F226 HydrophobicContact CD1-CD1 3.88Å; F141-F226 AromaticContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CD2 3.46Å; F141-F226 VanDerWaalsContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CE1 4.28Å; F141-F226 AromaticContact CD1-CE2 3.9Å; F141-F226 HydrophobicContact CD1-CE2 3.9Å; F141-F226 AromaticContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CG 3.45Å; F141-F226 VanDerWaalsContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CZ 4.29Å; F141-F226 HydrophobicContact CD2-CD2 4.13Å; F141-F226 AromaticContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CE1-CB 4.01Å; F141-F226 AromaticContact CE1-CD2 3.86Å; F141-F226 HydrophobicContact CE1-CD2 3.86Å; F141-F226 AromaticContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE2-CD2 4.5Å; F141-F226 HydrophobicContact CG-CD1 4.24Å; F141-F226 AromaticContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CE1 4.18Å; F141-F226 AromaticContact CG-CE2 3.54Å; F141-F226 HydrophobicContact CG-CE2 3.54Å; F141-F226 AromaticContact CG-CG 3.98Å; F141-F226 HydrophobicContact CG-CG 3.98Å; F141-F226 AromaticContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CZ-CD2 4.37Å; F141-L228 HydrophobicContact CD1-CD1 4.4Å; F141-L228 HydrophobicContact CE1-CD1 3.79Å |
| 142 | I | 97 | Very high | 92.4 | Very high | 68 Ų | 68 | 44 Ų | 44 | 35% | 0.349 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 140.4 | -179.9 | -175.4 | 170.5 | 0 | 0 | 0 | 108.8 | A140 V144 C153 S154 F323 | A140-I142 PolarHBondContact O-N 2.98Å; I142-V144 HydrophobicContact CG1-CG2 4.47Å; I142-C153 CarbonylContact O-C 3.56Å; I142-C153 VanDerWaalsContact O-CA 3.3Å; I142-C153 WeakPolarHBondContact O-CA 3.31Å; I142-S154 WeakPolarHBondContact CG2-OG 3.41Å; I142-S154 PolarHBondContact N-O 3.34Å; I142-S154 PolarHBondContact O-N 3.44Å; I142-F323 HydrophobicContact CD1-CE1 4.05Å; I142-F323 HydrophobicContact CD1-CZ 3.88Å; I142-F323 HydrophobicContact CG1-CZ 4.15Å |
| 143 | C | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.9 | 169.1 | -57.6 | 0 | 0 | 0 | 0 | 110 | F141 L151 E152 C153 L228 Q233 F323 | F141-C143 VanDerWaalsContact CZ-SG 3.57Å; C143-L151 HydrophobicContact CB-CD1 4.04Å; C143-E152 CarbonylContact C-O 3.49Å; C143-E152 WeakPolarHBondContact CA-O 3.28Å; C143-C153 HydrophobicContact CB-CB 4.09Å; C143-C153 WeakPolarHBondContact CB-SG 3.23Å; C143-C153 WeakPolarHBondContact SG-CB 3.43Å; C143-C153 CovalentContact SG-SG 2.04Å; C143-C153 PolarHBondContact SG-SG 2.92Å; C143-L228 HydrophobicContact CB-CD1 4.04Å; C143-Q233 PolarHBondContact O-OE1 2.89Å; C143-F323 WeakPolarHBondContact O-CE2 3.49Å |
| 144 | V | 95.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 43 Ų | 43 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 119.8 | 178 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | I142 H146 E152 K235 F323 | I142-V144 HydrophobicContact CG1-CG2 4.47Å; V144-H146 WeakPolarHBondContact CG1-NE2 3.44Å; V144-H146 PolarHBondContact O-N 3.19Å; V144-E152 PolarHBondContact N-O 3.28Å; V144-E152 PolarHBondContact O-N 3.31Å; V144-K235 HydrophobicContact CG1-CB 3.46Å; V144-K235 VanDerWaalsContact CG1-CB 3.46Å; V144-K235 HydrophobicContact CG1-CD 4.45Å; V144-F323 HydrophobicContact CG1-CD2 4.22Å; V144-F323 HydrophobicContact CG1-CE2 4.43Å; V144-F323 HydrophobicContact CG2-CE2 4.11Å; V144-F323 HydrophobicContact CG2-CZ 4.49Å |
| 145 | Y | 93.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 91.5 | 178.5 | -168.1 | -162 | 0 | 0 | 0 | 108.7 | N147 M148 N150 L151 E204 I230 Q233 V234 K235 | Y145-N147 PolarHBondContact O-N 2.97Å; Y145-M148 HydrophobicContact CD1-CG 4.28Å; Y145-M148 HydrophobicContact CE1-CB 3.99Å; Y145-M148 HydrophobicContact CE1-CG 4.07Å; Y145-M148 VanDerWaalsContact CZ-C 3.45Å; Y145-M148 VanDerWaalsContact CZ-CA 3.48Å; Y145-M148 PolarHBondContact OH-O 2.85Å; Y145-M148 VanDerWaalsContact OH-O 3.1Å; Y145-N150 CarbonylContact C-O 3.55Å; Y145-L151 HydrophobicContact CD2-CB 4.2Å; Y145-L151 HydrophobicContact CD2-CD1 4.48Å; Y145-L151 HydrophobicContact CG-CD1 4.3Å; Y145-E204 HydrophobicContact CE1-CG 4.33Å; Y145-E204 WeakPolarHBondContact CE1-OE1 3.05Å; Y145-E204 PolarHBondContact OH-OE1 2.62Å; Y145-I230 HydrophobicContact CD1-CB 4.21Å; Y145-I230 HydrophobicContact CD1-CD1 4.4Å; Y145-I230 HydrophobicContact CE1-CD1 3.98Å; Y145-Q233 PolarHBondContact N-O 3.12Å; Y145-V234 HydrophobicContact CD1-CG2 3.74Å; Y145-V234 HydrophobicContact CG-CG2 4.25Å; Y145-V234 VanDerWaalsContact O-CA 3.3Å; Y145-V234 WeakPolarHBondContact O-CA 3.45Å; Y145-K235 PolarHBondContact O-N 3.14Å |
| 146 | H | 91.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 39.6 Ų | 39.6 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121 | -176.4 | -69.1 | -87.1 | 0 | 0 | 0 | 110.4 | V144 M148 E149 N150 K235 | V144-H146 WeakPolarHBondContact CG1-NE2 3.44Å; V144-H146 PolarHBondContact O-N 3.19Å; H146-M148 PolarHBondContact O-N 2.97Å; H146-E149 PolarHBondContact O-N 2.8Å; H146-N150 PolarHBondContact N-O 2.75Å; H146-N150 PolarHBondContact O-N 2.95Å; H146-N150 VanDerWaalsContact O-N 3.16Å; H146-K235 WeakPolarHBondContact CA-O 3.32Å |
| 147 | N | 88 | Confident | 93.5 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.102 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 15.3 | 176.8 | -57.7 | -17.6 | 0 | 0 | 0 | 116.7 | Y145 E149 K235 T237 | Y145-N147 PolarHBondContact O-N 2.97Å; N147-E149 VanDerWaalsContact C-N 3.27Å; N147-E149 HydrophobicContact CB-CG 4.35Å; N147-K235 PolarHBondContact N-O 3.17Å; N147-T237 VanDerWaalsContact CG-OG1 3.23Å; N147-T237 PolarHBondContact ND2-OG1 2.82Å; N147-T237 WeakPolarHBondContact OD1-CB 3.26Å; N147-T237 PolarHBondContact OD1-N 2.86Å; N147-T237 PolarHBondContact OD1-OG1 3.36Å |
| 148 | M | 87.4 | Confident | 93.4 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 14% | 0.138 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 31.9 | -164.5 | -59.3 | 177 | 69.3 | 0 | 0 | 114 | Y145 H146 E204 V234 L263 | Y145-M148 HydrophobicContact CD1-CG 4.28Å; Y145-M148 HydrophobicContact CE1-CB 3.99Å; Y145-M148 HydrophobicContact CE1-CG 4.07Å; Y145-M148 VanDerWaalsContact CZ-C 3.45Å; Y145-M148 VanDerWaalsContact CZ-CA 3.48Å; Y145-M148 PolarHBondContact OH-O 2.85Å; Y145-M148 VanDerWaalsContact OH-O 3.1Å; H146-M148 PolarHBondContact O-N 2.97Å; M148-E204 VanDerWaalsContact CE-OE1 3.26Å; M148-E204 WeakPolarHBondContact CE-OE1 3.43Å; M148-E204 WeakPolarHBondContact CE-OE2 3.31Å; M148-V234 HydrophobicContact CG-CG1 4.22Å; M148-V234 HydrophobicContact CG-CG2 3.6Å; M148-V234 HydrophobicContact SD-CG2 4.43Å; M148-L263 HydrophobicContact CG-CD2 3.93Å; M148-L263 HydrophobicContact SD-CD2 3.79Å |
| 149 | E | 85.6 | Confident | 93.1 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -43.6 | -177.8 | -65 | -175 | 150.7 | 0 | 0 | 113.3 | H146 N147 | H146-E149 PolarHBondContact O-N 2.8Å; N147-E149 VanDerWaalsContact C-N 3.27Å; N147-E149 HydrophobicContact CB-CG 4.35Å |
| 150 | N | 87.9 | Confident | 93 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.6 | -178.3 | -166 | 62.6 | 0 | 0 | 0 | 112.1 | Y145 H146 E152 N196 | Y145-N150 CarbonylContact C-O 3.55Å; H146-N150 PolarHBondContact N-O 2.75Å; H146-N150 PolarHBondContact O-N 2.95Å; H146-N150 VanDerWaalsContact O-N 3.16Å; N150-E152 WeakPolarHBondContact ND2-CG 3.34Å; N150-E152 PolarHBondContact ND2-OE1 3.2Å; N150-N196 PolarHBondContact ND2-OD1 3.35Å; N150-N196 PolarHBondContact OD1-OD1 2.77Å |
| 151 | L | 93.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.7 | 175.6 | -175.5 | 76.1 | 0 | 0 | 0 | 110.2 | C143 Y145 F197 L202 I230 | C143-L151 HydrophobicContact CB-CD1 4.04Å; Y145-L151 HydrophobicContact CD2-CB 4.2Å; Y145-L151 HydrophobicContact CD2-CD1 4.48Å; Y145-L151 HydrophobicContact CG-CD1 4.3Å; L151-F197 HydrophobicContact CB-CB 4.21Å; L151-F197 HydrophobicContact CB-CD2 4.31Å; L151-F197 HydrophobicContact CD2-CD2 3.96Å; L151-F197 HydrophobicContact CD2-CE2 4.23Å; L151-F197 HydrophobicContact CD2-CG 4.34Å; L151-F197 HydrophobicContact CG-CD2 4.23Å; L151-F197 WeakPolarHBondContact O-CD2 3.25Å; L151-F197 PolarHBondContact O-N 3.31Å; L151-L202 HydrophobicContact CD2-CD1 3.63Å; L151-I230 HydrophobicContact CD1-CG2 4.03Å; L151-I230 HydrophobicContact CD2-CG2 3.8Å |
| 152 | E | 95.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.6 | 168.7 | -63.8 | -164.6 | -175.4 | 0 | 0 | 110.5 | C143 V144 N150 I186 C195 N196 | C143-E152 CarbonylContact C-O 3.49Å; C143-E152 WeakPolarHBondContact CA-O 3.28Å; V144-E152 PolarHBondContact N-O 3.28Å; V144-E152 PolarHBondContact O-N 3.31Å; N150-E152 WeakPolarHBondContact ND2-CG 3.34Å; N150-E152 PolarHBondContact ND2-OE1 3.2Å; E152-I186 HydrophobicContact CB-CD1 4.18Å; E152-I186 HydrophobicContact CG-CD1 4.26Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å; E152-C195 WeakPolarHBondContact CA-O 3.41Å; E152-N196 HydrophobicContact CG-CB 4.27Å |
| 153 | C | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.1 | 170.1 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | F141 I142 C143 L169 G194 C195 | F141-C153 HydrophobicContact CE2-CB 4.06Å; F141-C153 HydrophobicContact CZ-CB 4.03Å; I142-C153 CarbonylContact O-C 3.56Å; I142-C153 VanDerWaalsContact O-CA 3.3Å; I142-C153 WeakPolarHBondContact O-CA 3.31Å; C143-C153 HydrophobicContact CB-CB 4.09Å; C143-C153 WeakPolarHBondContact CB-SG 3.23Å; C143-C153 WeakPolarHBondContact SG-CB 3.43Å; C143-C153 CovalentContact SG-SG 2.04Å; C143-C153 PolarHBondContact SG-SG 2.92Å; C153-L169 HydrophobicContact CB-CD1 4.32Å; C153-G194 CarbonylContact O-C 3.57Å; C153-G194 WeakPolarHBondContact O-CA 3.43Å; C153-C195 PolarHBondContact N-O 2.97Å; C153-C195 PolarHBondContact O-N 3.3Å |
| 154 | S | 97.3 | Very high | 91.5 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.7 | 177.8 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | F141 I142 K193 | F141-S154 WeakPolarHBondContact CA-O 3.44Å; I142-S154 WeakPolarHBondContact CG2-OG 3.41Å; I142-S154 PolarHBondContact N-O 3.34Å; I142-S154 PolarHBondContact O-N 3.44Å; S154-K193 CarbonylContact C-O 3.56Å; S154-K193 WeakPolarHBondContact CA-O 3.43Å |
| 155 | W | 96.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.8 | 176.7 | 64.8 | 92.5 | 0 | 0 | 0 | 112.3 | A138 F141 Q167 L169 Y185 R192 K193 G194 C195 V212 | A138-W155 HydrophobicContact CB-CB 4.47Å; A138-W155 HydrophobicContact CB-CG 4.39Å; F141-W155 HydrophobicContact CD2-CB 4.17Å; F141-W155 HydrophobicContact CD2-CE3 4.36Å; F141-W155 HydrophobicContact CE2-CE3 4.32Å; W155-Q167 HydrophobicContact CZ2-CB 4.44Å; W155-L169 HydrophobicContact CE3-CD1 4.15Å; W155-L169 HydrophobicContact CH2-CB 3.81Å; W155-L169 HydrophobicContact CH2-CD1 4.31Å; W155-L169 HydrophobicContact CZ3-CB 3.93Å; W155-L169 HydrophobicContact CZ3-CD1 3.56Å; W155-L169 HydrophobicContact CZ3-CG 4.41Å; W155-Y185 HydrophobicContact CH2-CD1 4.23Å; W155-Y185 HydrophobicContact CH2-CE1 4.06Å; W155-R192 HydrophobicContact CZ2-CB 4.39Å; W155-K193 PolarHBondContact N-O 2.04Å; W155-G194 VanDerWaalsContact CZ3-C 3.44Å; W155-C195 HydrophobicContact CZ3-CB 4.35Å; W155-V212 HydrophobicContact CD2-CG1 4.3Å; W155-V212 HydrophobicContact CD2-CG2 4.26Å; W155-V212 HydrophobicContact CE3-CG2 4.33Å; W155-V212 HydrophobicContact CG-CG1 4.44Å; W155-V212 HydrophobicContact CZ2-CG1 4.41Å |
| 156 | T | 94.8 | Very high | 91 | Very high | 77 Ų | 77 | 57 Ų | 57 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 153.4 | 171.2 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | K139 | K139-T156 VanDerWaalsContact C-OG1 3.29Å; K139-T156 WeakPolarHBondContact CB-OG1 3.35Å; K139-T156 PolarHBondContact N-O 3.01Å; K139-T156 PolarHBondContact O-N 2.89Å; K139-T156 PolarHBondContact O-OG1 2.88Å |
| 157 | R | 92.2 | Very high | 91.1 | Very high | 58 Ų | 58 | 53.6 Ų | 53.6 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | trans | -79.6 | 147 | 178.7 | -67 | 164.2 | 76.6 | 96.4 | -11.5 | 110.3 | T161 P162 A165 | R157-T161 HydrophobicContact CB-CG2 4.46Å; R157-P162 PolarHBondContact NH2-O 2.89Å; R157-A165 VanDerWaalsContact CZ-O 3.28Å; R157-A165 PolarHBondContact NH1-O 2.86Å; R157-A165 PolarHBondContact NH2-O 3.03Å | ||
| 158 | G | 90 | Very high | 91.5 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | trans | -60.6 | 148.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G135 E137 K160 T161 | G135-G158 CarbonylContact O-C 3.56Å; G135-G158 WeakPolarHBondContact O-CA 3.46Å; E137-G158 WeakPolarHBondContact O-CA 3.48Å; E137-G158 PolarHBondContact O-N 2.97Å; G158-K160 PolarHBondContact O-N 2.98Å; G158-K160 VanDerWaalsContact O-N 3.08Å; G158-T161 PolarHBondContact N-OG1 2.83Å; G158-T161 WeakPolarHBondContact O-CB 3.23Å; G158-T161 PolarHBondContact O-N 2.82Å; G158-T161 PolarHBondContact O-OG1 2.75Å | ||
| 159 | L | 88.9 | Confident | 91.9 | Very high | 174 Ų | 174 | 53 Ų | 53 | 91% | 0.911 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | -174.6 | -68.7 | 171.8 | 0 | 0 | 0 | 113.8 | G135 | G135-L159 PolarHBondContact O-N 3.22Š|
| 160 | K | 92.2 | Very high | 92.5 | Very high | 150 Ų | 150 | 50.8 Ų | 50.8 | 65% | 0.652 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 3 | 177.9 | -61.6 | -176.7 | 178.1 | 178.6 | 0 | 113.3 | L134 G135 T136 G158 P162 | L134-K160 WeakPolarHBondContact O-CD 3.38Å; G135-K160 PolarHBondContact O-N 3.46Å; T136-K160 HydrophobicContact CG2-CB 4.24Å; G158-K160 PolarHBondContact O-N 2.98Å; G158-K160 VanDerWaalsContact O-N 3.08Å; K160-P162 VanDerWaalsContact O-CD 3.26Å; K160-P162 WeakPolarHBondContact O-CD 3.06Å |
| 161 | T | 91.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | trans | -65.8 | 116.4 | -178.1 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | T136 R157 G158 A165 L221 | T136-T161 VanDerWaalsContact CA-OG1 3.32Å; T136-T161 WeakPolarHBondContact CA-OG1 3.34Å; T136-T161 PolarHBondContact O-OG1 2.81Å; T136-T161 VanDerWaalsContact O-OG1 3.14Å; R157-T161 HydrophobicContact CB-CG2 4.46Å; G158-T161 PolarHBondContact N-OG1 2.83Å; G158-T161 WeakPolarHBondContact O-CB 3.23Å; G158-T161 PolarHBondContact O-N 2.82Å; G158-T161 PolarHBondContact O-OG1 2.75Å; T161-A165 HydrophobicContact CG2-CB 4.09Å; T161-L221 HydrophobicContact CG2-CD1 3.82Å; T161-L221 HydrophobicContact CG2-CD2 4.2Å | ||
| 162 | P | 91.1 | Very high | 93 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | trans | -56.3 | 142.3 | -175.8 | -27.4 | 36.1 | 0 | 0 | 0 | 112 | R157 K160 S164 A165 E218 | R157-P162 PolarHBondContact NH2-O 2.89Å; K160-P162 VanDerWaalsContact O-CD 3.26Å; K160-P162 WeakPolarHBondContact O-CD 3.06Å; P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.1Å; P162-A165 HydrophobicContact CB-CB 4.32Å; P162-A165 VanDerWaalsContact O-CB 3.31Å; P162-A165 WeakPolarHBondContact O-CB 3.49Å; P162-A165 PolarHBondContact O-N 3.36Å; P162-E218 VanDerWaalsContact CG-OE1 3.24Å; P162-E218 WeakPolarHBondContact CG-OE1 3.49Å | ||
| 163 | P | 87.3 | Confident | 93 | Very high | 127 Ų | 127 | 46.7 Ų | 46.7 | 83% | 0.825 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -32.1 | -173.8 | -28.4 | 35.8 | 0 | 0 | 0 | 114.5 | ||
| 164 | S | 84.4 | Confident | 92.7 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.1 | 179 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | P162 | P162-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact O-N 3.1Å |
| 165 | A | 89.9 | Confident | 92.4 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | trans | -72.4 | 141.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R157 T161 P162 S215 L221 | R157-A165 VanDerWaalsContact CZ-O 3.28Å; R157-A165 PolarHBondContact NH1-O 2.86Å; R157-A165 PolarHBondContact NH2-O 3.03Å; T161-A165 HydrophobicContact CG2-CB 4.09Å; P162-A165 HydrophobicContact CB-CB 4.32Å; P162-A165 VanDerWaalsContact O-CB 3.31Å; P162-A165 WeakPolarHBondContact O-CB 3.49Å; P162-A165 PolarHBondContact O-N 3.36Å; A165-S215 WeakPolarHBondContact CA-O 3.17Å; A165-S215 WeakPolarHBondContact CB-O 3.47Å; A165-L221 HydrophobicContact CB-CD1 4.1Å; A165-L221 HydrophobicContact CB-CD2 4.04Å | ||
| 166 | L | 87.3 | Confident | 92.2 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.8 | 173.8 | -67.1 | 176.7 | 0 | 0 | 0 | 109.7 | G214 S215 | L166-G214 VanDerWaalsContact O-CA 3.23Å; L166-G214 WeakPolarHBondContact O-CA 3.36Å; L166-S215 PolarHBondContact N-O 2.84Å; L166-S215 PolarHBondContact O-N 3.5Å |
| 167 | Q | 94 | Very high | 92.1 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.9 | 172.3 | -80.6 | 177.5 | -36.4 | 0 | 0 | 109.6 | T136 W155 R192 V212 N213 L221 | T136-Q167 PolarHBondContact O-NE2 3.41Å; W155-Q167 HydrophobicContact CZ2-CB 4.44Å; Q167-R192 WeakPolarHBondContact O-CD 3.36Å; Q167-V212 HydrophobicContact CB-CG1 4.17Å; Q167-V212 HydrophobicContact CG-CG1 4.45Å; Q167-N213 CarbonylContact C-O 3.21Å; Q167-N213 WeakPolarHBondContact CA-O 3.3Å; Q167-L221 HydrophobicContact CG-CD1 3.56Å |
| 168 | N | 95.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.5 | -179.4 | -64.3 | 6.3 | 0 | 0 | 0 | 108.9 | Y170 Y185 R192 V212 N213 | N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 3.57Å; N168-Y170 PolarHBondContact ND2-OH 2.92Å; N168-Y185 VanDerWaalsContact CA-OH 3.25Å; N168-Y185 WeakPolarHBondContact CA-OH 3.11Å; N168-Y185 WeakPolarHBondContact CB-OH 3.34Å; N168-R192 VanDerWaalsContact CG-NH1 3.27Å; N168-R192 PolarHBondContact OD1-NH1 3.46Å; N168-V212 WeakPolarHBondContact O-CA 3.36Å; N168-N213 PolarHBondContact N-O 2.73Å; N168-N213 PolarHBondContact O-N 2.86Å |
| 169 | L | 97.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129 | 172.9 | 177.9 | 152.1 | 0 | 0 | 0 | 109 | F141 C153 W155 F171 E181 C182 Y185 C195 F197 F210 C211 V212 | F141-L169 HydrophobicContact CE2-CD1 3.68Å; F141-L169 HydrophobicContact CZ-CD1 4.16Å; C153-L169 HydrophobicContact CB-CD1 4.32Å; W155-L169 HydrophobicContact CE3-CD1 4.15Å; W155-L169 HydrophobicContact CH2-CB 3.81Å; W155-L169 HydrophobicContact CH2-CD1 4.31Å; W155-L169 HydrophobicContact CZ3-CB 3.93Å; W155-L169 HydrophobicContact CZ3-CD1 3.56Å; W155-L169 HydrophobicContact CZ3-CG 4.41Å; L169-F171 HydrophobicContact CD2-CD1 4.45Å; L169-E181 CarbonylContact O-C 3.5Å; L169-E181 WeakPolarHBondContact O-CA 3.08Å; L169-E181 WeakPolarHBondContact O-CG 3.29Å; L169-C182 HydrophobicContact CB-CB 4.2Å; L169-C182 HydrophobicContact CD2-CB 4.03Å; L169-C182 PolarHBondContact O-N 3.37Å; L169-Y185 HydrophobicContact CB-CE1 4.42Å; L169-Y185 PolarHBondContact N-OH 3.02Å; L169-C195 HydrophobicContact CD1-CB 3.98Å; L169-C195 HydrophobicContact CD2-CB 4.21Å; L169-F197 HydrophobicContact CD2-CZ 4.15Å; L169-F210 HydrophobicContact CD1-CD1 4.41Å; L169-F210 HydrophobicContact CD2-CD1 4.28Å; L169-C211 WeakPolarHBondContact CA-O 3.05Å; L169-V212 HydrophobicContact CD1-CG2 4.36Å |
| 170 | Y | 96.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.3 | 168.7 | -59.6 | -89.7 | 0 | 0 | 0 | 109.1 | N168 V180 E181 F210 C211 N213 | N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 3.57Å; N168-Y170 PolarHBondContact ND2-OH 2.92Å; Y170-V180 CarbonylContact C-O 3.52Å; Y170-V180 VanDerWaalsContact CA-O 3.27Å; Y170-V180 WeakPolarHBondContact CA-O 3.5Å; Y170-E181 HydrophobicContact CD1-CB 3.86Å; Y170-E181 HydrophobicContact CD1-CG 4.21Å; Y170-E181 HydrophobicContact CE1-CB 3.59Å; Y170-E181 HydrophobicContact CE1-CG 3.77Å; Y170-E181 PolarHBondContact OH-OE2 2.81Å; Y170-F210 WeakPolarHBondContact O-CA 3.46Å; Y170-C211 PolarHBondContact N-O 2.97Å; Y170-C211 PolarHBondContact O-N 2.04Å; Y170-N213 WeakPolarHBondContact CD2-ND2 3.32Å; Y170-N213 WeakPolarHBondContact CE2-ND2 3.35Å; Y170-N213 WeakPolarHBondContact CE2-OD1 3.41Å |
| 171 | F | 96.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 155.5 | 175.7 | 71 | -77.7 | 0 | 0 | 0 | 111.2 | L169 H173 L176 A179 V180 F197 L202 Y209 F210 | L169-F171 HydrophobicContact CD2-CD1 4.45Å; F171-H173 AromaticContact CE2-NE2 3.96Å; F171-L176 HydrophobicContact CD2-CD1 4.32Å; F171-L176 HydrophobicContact CE2-CD1 3.89Å; F171-A179 WeakPolarHBondContact O-CA 3.46Å; F171-V180 HydrophobicContact CD1-CB 4.44Å; F171-V180 WeakPolarHBondContact CD1-O 3.1Å; F171-V180 HydrophobicContact CE1-CB 3.83Å; F171-V180 HydrophobicContact CE1-CG1 3.89Å; F171-V180 HydrophobicContact CZ-CB 3.94Å; F171-V180 HydrophobicContact CZ-CG1 4.04Å; F171-V180 PolarHBondContact N-O 2.73Å; F171-V180 PolarHBondContact O-N 2.8Å; F171-F197 AromaticContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CZ 4.16Å; F171-F197 HydrophobicContact CD2-CE1 4.34Å; F171-F197 AromaticContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE2-CE1 4.31Å; F171-F197 HydrophobicContact CG-CE1 4.08Å; F171-F197 HydrophobicContact CG-CZ 4.42Å; F171-F197 HydrophobicContact CZ-CE1 4.01Å; F171-L202 HydrophobicContact CD2-CD2 4.02Å; F171-L202 HydrophobicContact CE2-CD2 3.49Å; F171-L202 VanDerWaalsContact CE2-CD2 3.49Å; F171-L202 HydrophobicContact CZ-CD2 4.23Å; F171-Y209 CarbonylContact C-O 3.52Å; F171-Y209 VanDerWaalsContact CA-O 3.23Å; F171-Y209 WeakPolarHBondContact CA-O 3.44Å; F171-F210 HydrophobicContact CB-CD1 3.73Å; F171-F210 HydrophobicContact CB-CE1 3.86Å; F171-F210 HydrophobicContact CB-CG 4.47Å |
| 172 | W | 96.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 145.5 | 174.4 | -176.4 | 68.9 | 0 | 0 | 0 | 111.4 | R42 L43 Q45 R174 L176 A179 Y209 | R42-W172 HydrophobicContact CB-CD2 3.71Å; R42-W172 HydrophobicContact CB-CE3 4.1Å; R42-W172 HydrophobicContact CB-CG 3.97Å; R42-W172 HydrophobicContact CB-CZ2 4.43Å; R42-W172 VanDerWaalsContact CD-CE2 3.42Å; R42-W172 HydrophobicContact CG-CD2 4.08Å; R42-W172 HydrophobicContact CG-CG 4.13Å; R42-W172 HydrophobicContact CG-CZ2 4.4Å; L43-W172 HydrophobicContact CD1-CB 4.02Å; L43-W172 HydrophobicContact CG-CB 4.16Å; Q45-W172 HydrophobicContact CB-CH2 4.35Å; Q45-W172 HydrophobicContact CB-CZ3 4.03Å; Q45-W172 HydrophobicContact CG-CH2 4.25Å; Q45-W172 HydrophobicContact CG-CZ3 4.36Å; W172-R174 HydrophobicContact CH2-CB 4.44Å; W172-L176 PolarHBondContact NE1-O 3.16Å; W172-A179 HydrophobicContact CB-CB 4.31Å; W172-Y209 AromaticContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CE2 4.38Å; W172-Y209 HydrophobicContact CZ3-CD2 4.04Å; W172-Y209 HydrophobicContact CZ3-CE2 4.18Å; W172-Y209 PolarHBondContact N-O 2.82Å; W172-Y209 PolarHBondContact O-N 2.8Å |
| 173 | H | 94.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | trans | -147.1 | 161.1 | 170 | 54.3 | 85.9 | 0 | 0 | 0 | 109.6 | F171 S175 L176 P203 I208 | F171-H173 AromaticContact CE2-NE2 3.96Å; H173-S175 PolarHBondContact CE1-OG 2.96Å; H173-S175 PolarHBondContact ND1-OG 2.59Å; H173-S175 PolarHBondContact O-N 3.04Å; H173-L176 WeakPolarHBondContact NE2-CD1 3.36Å; H173-L176 PolarHBondContact O-N 2.92Å; H173-P203 HydrophobicContact CB-CG 3.92Å; H173-I208 HydrophobicContact CB-CG1 3.99Å; H173-I208 HydrophobicContact CB-CG2 4.48Å | ||
| 174 | R | 91.4 | Very high | 93.7 | Very high | 222 Ų | 222 | 57.6 Ų | 57.6 | 84% | 0.838 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -24.6 | -167.8 | -171.1 | 171.7 | 179.1 | 167.6 | 0.4 | 116.1 | W172 | W172-R174 HydrophobicContact CH2-CB 4.44Š|
| 175 | S | 91.3 | Very high | 94.2 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14.2 | 177.3 | 41.2 | 0 | 0 | 0 | 0 | 115 | H173 | H173-S175 PolarHBondContact CE1-OG 2.96Å; H173-S175 PolarHBondContact ND1-OG 2.59Å; H173-S175 PolarHBondContact O-N 3.04Å |
| 176 | L | 92.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | trans | -115.8 | 140 | 169.6 | -63.3 | 172.2 | 0 | 0 | 0 | 110.7 | F171 W172 H173 Q178 V180 | F171-L176 HydrophobicContact CD2-CD1 4.32Å; F171-L176 HydrophobicContact CE2-CD1 3.89Å; W172-L176 PolarHBondContact NE1-O 3.16Å; H173-L176 WeakPolarHBondContact NE2-CD1 3.36Å; H173-L176 PolarHBondContact O-N 2.92Å; L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.99Å; L176-V180 HydrophobicContact CD1-CG2 4.01Å; L176-V180 HydrophobicContact CD2-CG2 4.41Å | ||
| 177 | D | 92.6 | Very high | 94.8 | Very high | 150 Ų | 150 | 58.8 Ų | 58.8 | 80% | 0.802 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -69.4 | -32.3 | 177.1 | -58.1 | -63 | 0 | 0 | 0 | 113.1 | R42 | R42-D177 WeakPolarHBondContact CD-O 3.4Å; R42-D177 PolarHBondContact NH1-O 2.84Å |
| 178 | Q | 94.4 | Very high | 94.7 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 66% | 0.664 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -144.5 | 165 | -175.5 | 64.6 | 179.1 | -2 | 0 | 0 | 111.3 | L176 | L176-Q178 VanDerWaalsContact C-N 3.34Å; L176-Q178 PolarHBondContact O-N 2.99Å |
| 179 | A | 95.2 | Very high | 94.3 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 21% | 0.207 | 35% | 0.351 | C | S | . | . | trans | -67.4 | 145.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L43 F171 W172 | L43-A179 HydrophobicContact CD1-CB 4.21Å; L43-A179 HydrophobicContact CD2-CB 3.84Å; L43-A179 HydrophobicContact CG-CB 3.81Å; F171-A179 WeakPolarHBondContact O-CA 3.46Å; W172-A179 HydrophobicContact CB-CB 4.31Å | ||
| 180 | V | 94.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.8 | -173.9 | -179.6 | 0 | 0 | 0 | 0 | 110 | Y170 F171 L176 | Y170-V180 CarbonylContact C-O 3.52Å; Y170-V180 VanDerWaalsContact CA-O 3.27Å; Y170-V180 WeakPolarHBondContact CA-O 3.5Å; F171-V180 HydrophobicContact CD1-CB 4.44Å; F171-V180 WeakPolarHBondContact CD1-O 3.1Å; F171-V180 HydrophobicContact CE1-CB 3.83Å; F171-V180 HydrophobicContact CE1-CG1 3.89Å; F171-V180 HydrophobicContact CZ-CB 3.94Å; F171-V180 HydrophobicContact CZ-CG1 4.04Å; F171-V180 PolarHBondContact N-O 2.73Å; F171-V180 PolarHBondContact O-N 2.8Å; L176-V180 HydrophobicContact CD1-CG2 4.01Å; L176-V180 HydrophobicContact CD2-CG2 4.41Å |
| 181 | E | 96.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 151.4 | 174.5 | -162.5 | 172.2 | 163.3 | 0 | 0 | 110.9 | L169 Y170 Y185 R192 | L169-E181 CarbonylContact O-C 3.5Å; L169-E181 WeakPolarHBondContact O-CA 3.08Å; L169-E181 WeakPolarHBondContact O-CG 3.29Å; Y170-E181 HydrophobicContact CD1-CB 3.86Å; Y170-E181 HydrophobicContact CD1-CG 4.21Å; Y170-E181 HydrophobicContact CE1-CB 3.59Å; Y170-E181 HydrophobicContact CE1-CG 3.77Å; Y170-E181 PolarHBondContact OH-OE2 2.81Å; E181-Y185 HydrophobicContact CG-CE2 4.17Å; E181-Y185 VanDerWaalsContact CG-OH 3.24Å; E181-Y185 WeakPolarHBondContact CG-OH 3.49Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y185 PolarHBondContact OE1-OH 2.79Å; E181-R192 IonicContact OE1-CZ 3.83Å; E181-R192 IonicContact OE1-NH1 2.96Å; E181-R192 PolarHBondContact OE1-NH1 3.48Å; E181-R192 IonicContact OE1-NH2 3.84Å |
| 182 | C | 95.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | trans | -39.9 | 124.5 | 169.9 | 175.6 | 0 | 0 | 0 | 0 | 113.2 | L169 S184 Y185 C195 | L169-C182 HydrophobicContact CB-CB 4.2Å; L169-C182 HydrophobicContact CD2-CB 4.03Å; L169-C182 PolarHBondContact O-N 3.37Å; C182-S184 PolarHBondContact O-N 3.3Å; C182-S184 PolarHBondContact SG-O 3.09Å; C182-Y185 HydrophobicContact CB-CD1 4.26Å; C182-Y185 HydrophobicContact CB-CD2 4.24Å; C182-Y185 HydrophobicContact CB-CE1 3.79Å; C182-Y185 HydrophobicContact CB-CE2 3.76Å; C182-Y185 HydrophobicContact CB-CG 4.49Å; C182-C195 WeakPolarHBondContact CA-SG 3.46Å; C182-C195 HydrophobicContact CB-CB 3.93Å; C182-C195 WeakPolarHBondContact CB-SG 3.36Å; C182-C195 WeakPolarHBondContact SG-CA 3.48Å; C182-C195 WeakPolarHBondContact SG-CB 3.35Å; C182-C195 CovalentContact SG-SG 2.02Å; C182-C195 PolarHBondContact SG-SG 3.1Å | ||
| 183 | P | 94.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 71.9 Ų | 71.9 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -72.5 | -25.6 | -178.4 | 28.3 | -35.3 | 0 | 0 | 0 | 114.1 | F197 K200 | P183-F197 HydrophobicContact CG-CD1 3.85Å; P183-F197 HydrophobicContact CG-CE1 4.32Å; P183-F197 HydrophobicContact CG-CG 4.28Å; P183-K200 HydrophobicContact CB-CD 4.28Å; P183-K200 HydrophobicContact CG-CD 4.27Å |
| 184 | S | 95.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 114 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | C182 C195 N196 | C182-S184 PolarHBondContact O-N 3.3Å; C182-S184 PolarHBondContact SG-O 3.09Å; S184-C195 CarbonylContact O-C 3.47Å; S184-C195 WeakPolarHBondContact O-CA 3.28Å; S184-N196 PolarHBondContact N-O 2.93Å; S184-N196 PolarHBondContact O-N 2.76Å |
| 185 | Y | 96.3 | Very high | 93.5 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.4 | -178 | -78.9 | -81.2 | 0 | 0 | 0 | 112.9 | W155 N168 L169 E181 C182 R192 G194 | W155-Y185 HydrophobicContact CH2-CD1 4.23Å; W155-Y185 HydrophobicContact CH2-CE1 4.06Å; N168-Y185 VanDerWaalsContact CA-OH 3.25Å; N168-Y185 WeakPolarHBondContact CA-OH 3.11Å; N168-Y185 WeakPolarHBondContact CB-OH 3.34Å; L169-Y185 HydrophobicContact CB-CE1 4.42Å; L169-Y185 PolarHBondContact N-OH 3.02Å; E181-Y185 HydrophobicContact CG-CE2 4.17Å; E181-Y185 VanDerWaalsContact CG-OH 3.24Å; E181-Y185 WeakPolarHBondContact CG-OH 3.49Å; E181-Y185 WeakPolarHBondContact OE1-CE2 3.48Å; E181-Y185 VanDerWaalsContact OE1-CZ 3.3Å; E181-Y185 PolarHBondContact OE1-OH 2.79Å; C182-Y185 HydrophobicContact CB-CD1 4.26Å; C182-Y185 HydrophobicContact CB-CD2 4.24Å; C182-Y185 HydrophobicContact CB-CE1 3.79Å; C182-Y185 HydrophobicContact CB-CE2 3.76Å; C182-Y185 HydrophobicContact CB-CG 4.49Å; Y185-R192 HydrophobicContact CD1-CB 3.99Å; Y185-R192 HydrophobicContact CD1-CG 3.72Å; Y185-R192 HydrophobicContact CE1-CB 4.46Å; Y185-R192 HydrophobicContact CE1-CG 4.24Å; Y185-R192 HydrophobicContact CG-CG 3.97Å; Y185-R192 PolarHBondContact OH-NH1 2.69Å; Y185-G194 WeakPolarHBondContact CD1-O 3.01Å |
| 186 | I | 95.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 28% | 0.277 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.9 | 169.4 | -55.2 | 172.1 | 0 | 0 | 0 | 108 | E152 K193 G194 N196 | E152-I186 HydrophobicContact CB-CD1 4.18Å; E152-I186 HydrophobicContact CG-CD1 4.26Å; E152-I186 WeakPolarHBondContact OE2-CD1 3.46Å; I186-K193 PolarHBondContact O-N 2.75Å; I186-G194 PolarHBondContact N-O 2.95Å; I186-G194 PolarHBondContact O-N 3.4Å; I186-N196 HydrophobicContact CD1-CB 4.27Å; I186-N196 HydrophobicContact CG1-CB 4.12Å |
| 187 | L | 94.5 | Very high | 93.7 | Very high | 107 Ų | 107 | 55.8 Ų | 55.8 | 56% | 0.56 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.8 | -175.7 | -59.7 | -177.9 | 0 | 0 | 0 | 111.8 | V191 R192 | L187-V191 WeakPolarHBondContact CA-O 3.47Å; L187-R192 HydrophobicContact CD2-CB 4.35Å; L187-R192 HydrophobicContact CD2-CG 3.72Å |
| 188 | S | 90.8 | Very high | 93.2 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 112.7 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 109 | G190 V191 K193 | S188-G190 VanDerWaalsContact C-N 3.29Å; S188-G190 PolarHBondContact O-N 2.81Å; S188-V191 PolarHBondContact N-O 2.95Å; S188-V191 WeakPolarHBondContact O-CB 3.27Å; S188-V191 PolarHBondContact O-N 2.79Å; S188-V191 VanDerWaalsContact O-N 3.15Å; S188-K193 PolarHBondContact OG-NZ 3.2Å |
| 189 | G | 87.4 | Confident | 91.8 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 88% | 0.876 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 32.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | V191 | G189-V191 PolarHBondContact O-N 3.12Š|
| 190 | G | 86.3 | Confident | 90.4 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -6.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | S188 | S188-G190 VanDerWaalsContact C-N 3.29Å; S188-G190 PolarHBondContact O-N 2.81Å |
| 191 | V | 89.8 | Confident | 89.4 | Confident | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.218 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131 | -178 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | L187 S188 G189 K193 | L187-V191 WeakPolarHBondContact CA-O 3.47Å; S188-V191 PolarHBondContact N-O 2.95Å; S188-V191 WeakPolarHBondContact O-CB 3.27Å; S188-V191 PolarHBondContact O-N 2.79Å; S188-V191 VanDerWaalsContact O-N 3.15Å; G189-V191 PolarHBondContact O-N 3.12Å; V191-K193 PolarHBondContact O-N 3.39Å |
| 192 | R | 94 | Very high | 89 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 117.7 | 168.7 | -66 | 174.6 | 173 | -158.7 | -13 | 109.4 | W155 Q167 N168 E181 Y185 L187 | W155-R192 HydrophobicContact CZ2-CB 4.39Å; Q167-R192 WeakPolarHBondContact O-CD 3.36Å; N168-R192 VanDerWaalsContact CG-NH1 3.27Å; N168-R192 PolarHBondContact OD1-NH1 3.46Å; E181-R192 IonicContact OE1-CZ 3.83Å; E181-R192 IonicContact OE1-NH1 2.96Å; E181-R192 PolarHBondContact OE1-NH1 3.48Å; E181-R192 IonicContact OE1-NH2 3.84Å; Y185-R192 HydrophobicContact CD1-CB 3.99Å; Y185-R192 HydrophobicContact CD1-CG 3.72Å; Y185-R192 HydrophobicContact CE1-CB 4.46Å; Y185-R192 HydrophobicContact CE1-CG 4.24Å; Y185-R192 HydrophobicContact CG-CG 3.97Å; Y185-R192 PolarHBondContact OH-NH1 2.69Å; L187-R192 HydrophobicContact CD2-CB 4.35Å; L187-R192 HydrophobicContact CD2-CG 3.72Å |
| 193 | K | 93.3 | Very high | 88.7 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -5.7 | 176.4 | -67.6 | -168.4 | -172.2 | 164.4 | 0 | 113.7 | S154 W155 I186 S188 V191 | S154-K193 CarbonylContact C-O 3.56Å; S154-K193 WeakPolarHBondContact CA-O 3.43Å; W155-K193 PolarHBondContact N-O 2.04Å; I186-K193 PolarHBondContact O-N 2.75Å; S188-K193 PolarHBondContact OG-NZ 3.2Å; V191-K193 PolarHBondContact O-N 3.39Å |
| 194 | G | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | C153 W155 Y185 I186 | C153-G194 CarbonylContact O-C 3.57Å; C153-G194 WeakPolarHBondContact O-CA 3.43Å; W155-G194 VanDerWaalsContact CZ3-C 3.44Å; Y185-G194 WeakPolarHBondContact CD1-O 3.01Å; I186-G194 PolarHBondContact N-O 2.95Å; I186-G194 PolarHBondContact O-N 3.4Å |
| 195 | C | 96.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 125.4 | 177.4 | -172 | 0 | 0 | 0 | 0 | 109.5 | E152 C153 W155 L169 C182 S184 F197 | E152-C195 WeakPolarHBondContact CA-O 3.41Å; C153-C195 PolarHBondContact N-O 2.97Å; C153-C195 PolarHBondContact O-N 3.3Å; W155-C195 HydrophobicContact CZ3-CB 4.35Å; L169-C195 HydrophobicContact CD1-CB 3.98Å; L169-C195 HydrophobicContact CD2-CB 4.21Å; C182-C195 WeakPolarHBondContact CA-SG 3.46Å; C182-C195 HydrophobicContact CB-CB 3.93Å; C182-C195 WeakPolarHBondContact CB-SG 3.36Å; C182-C195 WeakPolarHBondContact SG-CA 3.48Å; C182-C195 WeakPolarHBondContact SG-CB 3.35Å; C182-C195 CovalentContact SG-SG 2.02Å; C182-C195 PolarHBondContact SG-SG 3.1Å; S184-C195 CarbonylContact O-C 3.47Å; S184-C195 WeakPolarHBondContact O-CA 3.28Å; C195-F197 HydrophobicContact CB-CE2 3.97Å; C195-F197 VanDerWaalsContact SG-CE2 3.54Å |
| 196 | N | 95.5 | Very high | 88.2 | Confident | 34 Ų | 34 | 60.6 Ų | 60.6 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 142.8 | 170.1 | -174.1 | 5.5 | 0 | 0 | 0 | 108.8 | N150 E152 S184 I186 P198 | N150-N196 PolarHBondContact ND2-OD1 3.35Å; N150-N196 PolarHBondContact OD1-OD1 2.77Å; E152-N196 HydrophobicContact CG-CB 4.27Å; S184-N196 PolarHBondContact N-O 2.93Å; S184-N196 PolarHBondContact O-N 2.76Å; I186-N196 HydrophobicContact CD1-CB 4.27Å; I186-N196 HydrophobicContact CG1-CB 4.12Å; N196-P198 WeakPolarHBondContact O-CD 3.49Å |
| 197 | F | 93.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | trans | -112.5 | 60.2 | -179 | -69.3 | -100.6 | 0 | 0 | 0 | 112.3 | L151 L169 F171 P183 C195 G199 K200 L202 F210 | L151-F197 HydrophobicContact CB-CB 4.21Å; L151-F197 HydrophobicContact CB-CD2 4.31Å; L151-F197 HydrophobicContact CD2-CD2 3.96Å; L151-F197 HydrophobicContact CD2-CE2 4.23Å; L151-F197 HydrophobicContact CD2-CG 4.34Å; L151-F197 HydrophobicContact CG-CD2 4.23Å; L151-F197 WeakPolarHBondContact O-CD2 3.25Å; L151-F197 PolarHBondContact O-N 3.31Å; L169-F197 HydrophobicContact CD2-CZ 4.15Å; F171-F197 AromaticContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CE1 3.75Å; F171-F197 HydrophobicContact CD1-CZ 4.16Å; F171-F197 HydrophobicContact CD2-CE1 4.34Å; F171-F197 AromaticContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE1-CE1 3.72Å; F171-F197 HydrophobicContact CE2-CE1 4.31Å; F171-F197 HydrophobicContact CG-CE1 4.08Å; F171-F197 HydrophobicContact CG-CZ 4.42Å; F171-F197 HydrophobicContact CZ-CE1 4.01Å; P183-F197 HydrophobicContact CG-CD1 3.85Å; P183-F197 HydrophobicContact CG-CE1 4.32Å; P183-F197 HydrophobicContact CG-CG 4.28Å; C195-F197 HydrophobicContact CB-CE2 3.97Å; C195-F197 VanDerWaalsContact SG-CE2 3.54Å; F197-G199 PolarHBondContact O-N 3.15Å; F197-K200 PolarHBondContact O-N 3.44Å; F197-L202 HydrophobicContact CD1-CD1 3.95Å; F197-L202 HydrophobicContact CD1-CD2 4.29Å; F197-L202 HydrophobicContact CD1-CG 4.22Å; F197-L202 HydrophobicContact CE1-CD1 3.92Å; F197-L202 HydrophobicContact CE1-CD2 4.45Å; F197-L202 HydrophobicContact CG-CD1 4.49Å; F197-L202 HydrophobicContact CZ-CD1 4.44Å; F197-F210 HydrophobicContact CZ-CE1 4.03Å | ||
| 198 | P | 80.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 43% | 0.429 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 122.1 | -172.9 | 27.4 | -35.9 | 0 | 0 | 0 | 111.6 | N196 K200 | N196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-K200 PolarHBondContact O-N 2.84Å; P198-K200 VanDerWaalsContact O-N 3.08Å |
| 199 | G | 65.9 | Low | 88.6 | Confident | 71 Ų | 71 | 54.1 Ų | 54.1 | 73% | 0.732 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 5.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F197 | F197-G199 PolarHBondContact O-N 3.15Š|
| 200 | K | 65.5 | Low | 89 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | trans | -100.5 | 102.1 | 175.3 | -72.9 | -165.2 | 179.7 | -174.1 | 0 | 110.3 | P183 F197 P198 L202 | P183-K200 HydrophobicContact CB-CD 4.28Å; P183-K200 HydrophobicContact CG-CD 4.27Å; F197-K200 PolarHBondContact O-N 3.44Å; P198-K200 PolarHBondContact O-N 2.84Å; P198-K200 VanDerWaalsContact O-N 3.08Å; K200-L202 PolarHBondContact O-N 2.77Å | ||
| 201 | Y | 72.8 | Confident | 89.5 | Confident | 143 Ų | 143 | 47.4 Ų | 47.4 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | trans | -64.8 | 102.4 | 165.4 | -58.6 | -64.1 | 0 | 0 | 0 | 109.3 | R262 | Y201-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y201-R262 PolarHBondContact OH-NH1 2.97Å; Y201-R262 PolarHBondContact OH-NH2 3.36Å | ||
| 202 | L | 87.8 | Confident | 89.9 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 154.3 | 160 | -62.3 | -170.9 | 0 | 0 | 0 | 108.6 | L151 F171 F197 K200 E204 I208 F210 I230 | L151-L202 HydrophobicContact CD2-CD1 3.63Å; F171-L202 HydrophobicContact CD2-CD2 4.02Å; F171-L202 HydrophobicContact CE2-CD2 3.49Å; F171-L202 VanDerWaalsContact CE2-CD2 3.49Å; F171-L202 HydrophobicContact CZ-CD2 4.23Å; F197-L202 HydrophobicContact CD1-CD1 3.95Å; F197-L202 HydrophobicContact CD1-CD2 4.29Å; F197-L202 HydrophobicContact CD1-CG 4.22Å; F197-L202 HydrophobicContact CE1-CD1 3.92Å; F197-L202 HydrophobicContact CE1-CD2 4.45Å; F197-L202 HydrophobicContact CG-CD1 4.49Å; F197-L202 HydrophobicContact CZ-CD1 4.44Å; K200-L202 PolarHBondContact O-N 2.77Å; L202-E204 PolarHBondContact O-N 3.38Å; L202-I208 HydrophobicContact CB-CD1 3.86Å; L202-I208 HydrophobicContact CD1-CD1 4.23Å; L202-I208 HydrophobicContact CD1-CG2 4.48Å; L202-F210 HydrophobicContact CD1-CZ 4.48Å; L202-I230 HydrophobicContact CB-CD1 4Å; L202-I230 WeakPolarHBondContact O-CD1 3.46Å |
| 203 | P | 91.3 | Very high | 89.9 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 129.6 | -176.7 | 28.7 | -35.4 | 0 | 0 | 0 | 112.2 | H173 T206 I208 | H173-P203 HydrophobicContact CB-CG 3.92Å; P203-T206 HydrophobicContact CB-CG2 3.66Å; P203-T206 HydrophobicContact CG-CG2 3.51Å; P203-I208 HydrophobicContact CG-CD1 4.38Å; P203-I208 HydrophobicContact CG-CG1 4.23Å; P203-I208 WeakPolarHBondContact O-CD1 3.49Å |
| 204 | E | 90.4 | Very high | 89.8 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -79.1 | 160 | 170.8 | -62.3 | 174.6 | -178.7 | 0 | 0 | 110.9 | Y145 M148 L202 T206 I230 | Y145-E204 HydrophobicContact CE1-CG 4.33Å; Y145-E204 WeakPolarHBondContact CE1-OE1 3.05Å; Y145-E204 PolarHBondContact OH-OE1 2.62Å; M148-E204 VanDerWaalsContact CE-OE1 3.26Å; M148-E204 WeakPolarHBondContact CE-OE1 3.43Å; M148-E204 WeakPolarHBondContact CE-OE2 3.31Å; L202-E204 PolarHBondContact O-N 3.38Å; E204-T206 PolarHBondContact O-N 2.91Å; E204-I230 HydrophobicContact CG-CD1 3.72Å; E204-I230 HydrophobicContact CG-CG1 4.08Å |
| 205 | F | 91.1 | Very high | 89.5 | Confident | 135 Ų | 135 | 45.1 Ų | 45.1 | 59% | 0.592 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 57.1 | 29.2 | 178 | -52.3 | -86.1 | 0 | 0 | 0 | 114.5 | Q231 | F205-Q231 HydrophobicContact CD1-CG 3.92Å; F205-Q231 HydrophobicContact CE1-CG 3.78Å; F205-Q231 HydrophobicContact CG-CG 4.42Å; F205-Q231 HydrophobicContact CZ-CB 4.37Å; F205-Q231 HydrophobicContact CZ-CG 4.13Å |
| 206 | T | 93.6 | Very high | 89.2 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -146.5 | 154.7 | 174.7 | -150.6 | 0 | 0 | 0 | 0 | 111.1 | P203 E204 I208 | P203-T206 HydrophobicContact CB-CG2 3.66Å; P203-T206 HydrophobicContact CG-CG2 3.51Å; E204-T206 PolarHBondContact O-N 2.91Å; T206-I208 PolarHBondContact O-N 3.3Å |
| 207 | D | 94.9 | Very high | 88.9 | Confident | 50 Ų | 50 | 56 Ų | 56 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | trans | -71.6 | 125.5 | 177.9 | -64.4 | -43.5 | 0 | 0 | 0 | 110.9 | Y209 Q229 | D207-Y209 HydrophobicContact CB-CE1 4.06Å; D207-Y209 HydrophobicContact CB-CE2 3.89Å; D207-Y209 VanDerWaalsContact CB-CZ 3.48Å; D207-Y209 VanDerWaalsContact CB-OH 3.28Å; D207-Y209 WeakPolarHBondContact CB-OH 3.41Å; D207-Q229 VanDerWaalsContact OD1-CG 3.27Å; D207-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D207-Q229 PolarHBondContact OD1-NE2 3.41Å | ||
| 208 | I | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.1 | 170.6 | -59.4 | 152.3 | 0 | 0 | 0 | 107.5 | H173 L202 P203 T206 F210 L228 I230 | H173-I208 HydrophobicContact CB-CG1 3.99Å; H173-I208 HydrophobicContact CB-CG2 4.48Å; L202-I208 HydrophobicContact CB-CD1 3.86Å; L202-I208 HydrophobicContact CD1-CD1 4.23Å; L202-I208 HydrophobicContact CD1-CG2 4.48Å; P203-I208 HydrophobicContact CG-CD1 4.38Å; P203-I208 HydrophobicContact CG-CG1 4.23Å; P203-I208 WeakPolarHBondContact O-CD1 3.49Å; T206-I208 PolarHBondContact O-N 3.3Å; I208-F210 HydrophobicContact CB-CE2 3.88Å; I208-F210 HydrophobicContact CB-CZ 4.26Å; I208-F210 HydrophobicContact CG2-CD2 4.23Å; I208-F210 HydrophobicContact CG2-CE1 4.29Å; I208-F210 HydrophobicContact CG2-CE2 3.5Å; I208-F210 HydrophobicContact CG2-CZ 3.54Å; I208-F210 WeakPolarHBondContact O-CD2 3.24Å; I208-F210 WeakPolarHBondContact O-CE2 3.42Å; I208-L228 PolarHBondContact N-O 2.89Å; I208-L228 PolarHBondContact O-N 3.07Å; I208-I230 HydrophobicContact CD1-CB 4.4Å; I208-I230 HydrophobicContact CD1-CD1 4.4Å; I208-I230 HydrophobicContact CD1-CG1 4.05Å; I208-I230 HydrophobicContact CD1-CG2 3.62Å |
| 209 | Y | 97 | Very high | 89 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 11% | 0.114 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.8 | -175.4 | -56.6 | -75.8 | 0 | 0 | 0 | 109.9 | L43 Y74 Q91 F171 W172 D207 F226 S227 | L43-Y209 WeakPolarHBondContact CD1-O 3.42Å; Y74-Y209 HydrophobicContact CD2-CE1 4.19Å; Y74-Y209 AromaticContact CE2-CD1 4Å; Y74-Y209 HydrophobicContact CE2-CD1 4Å; Y74-Y209 AromaticContact CE2-CE1 3.91Å; Y74-Y209 HydrophobicContact CE2-CE1 3.91Å; Q91-Y209 HydrophobicContact CB-CE1 4.03Å; Q91-Y209 HydrophobicContact CB-CE2 4.21Å; Q91-Y209 VanDerWaalsContact CD-CD2 3.48Å; Q91-Y209 HydrophobicContact CG-CD1 3.72Å; Q91-Y209 HydrophobicContact CG-CD2 4.12Å; Q91-Y209 HydrophobicContact CG-CE1 3.46Å; Q91-Y209 VanDerWaalsContact CG-CE1 3.46Å; Q91-Y209 HydrophobicContact CG-CE2 3.88Å; Q91-Y209 HydrophobicContact CG-CG 4.03Å; F171-Y209 CarbonylContact C-O 3.52Å; F171-Y209 VanDerWaalsContact CA-O 3.23Å; F171-Y209 WeakPolarHBondContact CA-O 3.44Å; W172-Y209 AromaticContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CD2 3.77Å; W172-Y209 HydrophobicContact CE3-CE2 4.38Å; W172-Y209 HydrophobicContact CZ3-CD2 4.04Å; W172-Y209 HydrophobicContact CZ3-CE2 4.18Å; W172-Y209 PolarHBondContact N-O 2.82Å; W172-Y209 PolarHBondContact O-N 2.8Å; D207-Y209 HydrophobicContact CB-CE1 4.06Å; D207-Y209 HydrophobicContact CB-CE2 3.89Å; D207-Y209 VanDerWaalsContact CB-CZ 3.48Å; D207-Y209 VanDerWaalsContact CB-OH 3.28Å; D207-Y209 WeakPolarHBondContact CB-OH 3.41Å; Y209-F226 CarbonylContact C-O 3.34Å; Y209-F226 WeakPolarHBondContact CA-O 3.26Å; Y209-S227 WeakPolarHBondContact CE1-OG 3.42Å |
| 210 | F | 97.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.5 | -178.1 | -62.5 | -94.9 | 0 | 0 | 0 | 110.1 | F141 L169 Y170 F171 F197 L202 I208 F225 F226 L228 | F141-F210 HydrophobicContact CE1-CB 4.11Å; F141-F210 HydrophobicContact CE1-CD2 4.34Å; F141-F210 HydrophobicContact CE1-CG 4.14Å; F141-F210 HydrophobicContact CZ-CB 3.85Å; F141-F210 AromaticContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD1 3.97Å; F141-F210 HydrophobicContact CZ-CD2 4.42Å; F141-F210 AromaticContact CZ-CG 3.84Å; F141-F210 HydrophobicContact CZ-CG 3.84Å; L169-F210 HydrophobicContact CD1-CD1 4.41Å; L169-F210 HydrophobicContact CD2-CD1 4.28Å; Y170-F210 WeakPolarHBondContact O-CA 3.46Å; F171-F210 HydrophobicContact CB-CD1 3.73Å; F171-F210 HydrophobicContact CB-CE1 3.86Å; F171-F210 HydrophobicContact CB-CG 4.47Å; F197-F210 HydrophobicContact CZ-CE1 4.03Å; L202-F210 HydrophobicContact CD1-CZ 4.48Å; I208-F210 HydrophobicContact CB-CE2 3.88Å; I208-F210 HydrophobicContact CB-CZ 4.26Å; I208-F210 HydrophobicContact CG2-CD2 4.23Å; I208-F210 HydrophobicContact CG2-CE1 4.29Å; I208-F210 HydrophobicContact CG2-CE2 3.5Å; I208-F210 HydrophobicContact CG2-CZ 3.54Å; I208-F210 WeakPolarHBondContact O-CD2 3.24Å; I208-F210 WeakPolarHBondContact O-CE2 3.42Å; F210-F225 CarbonylContact O-C 3.59Å; F210-F225 VanDerWaalsContact O-CA 3.29Å; F210-F225 WeakPolarHBondContact O-CA 3.45Å; F210-F226 HydrophobicContact CB-CB 4.37Å; F210-F226 HydrophobicContact CB-CD2 4.41Å; F210-F226 PolarHBondContact N-O 3.03Å; F210-F226 PolarHBondContact O-N 2.76Å; F210-L228 HydrophobicContact CD2-CD1 4.45Å; F210-L228 HydrophobicContact CE2-CB 4.17Å; F210-L228 HydrophobicContact CE2-CD1 4.3Å |
| 211 | C | 96.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122 | 172.1 | 176.5 | 0 | 0 | 0 | 0 | 109 | L43 L169 Y170 T224 F225 | L43-C211 HydrophobicContact CD1-CB 3.94Å; L43-C211 HydrophobicContact CD2-CB 3.75Å; L43-C211 HydrophobicContact CG-CB 4.34Å; L169-C211 WeakPolarHBondContact CA-O 3.05Å; Y170-C211 PolarHBondContact N-O 2.97Å; Y170-C211 PolarHBondContact O-N 2.04Å; C211-T224 WeakPolarHBondContact CA-O 2.99Å; C211-F225 HydrophobicContact CB-CD1 3.71Å; C211-F225 HydrophobicContact CB-CE1 3.69Å; C211-F225 WeakPolarHBondContact SG-CE1 3.36Å |
| 212 | V | 96.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.3 | 165.8 | -175.5 | 0 | 0 | 0 | 0 | 108 | A138 F141 W155 Q167 N168 L169 A223 T224 F226 | A138-V212 HydrophobicContact CB-CB 3.79Å; A138-V212 HydrophobicContact CB-CG1 3.63Å; A138-V212 HydrophobicContact CB-CG2 4.41Å; F141-V212 HydrophobicContact CD2-CG2 3.99Å; F141-V212 HydrophobicContact CE2-CG2 4.06Å; W155-V212 HydrophobicContact CD2-CG1 4.3Å; W155-V212 HydrophobicContact CD2-CG2 4.26Å; W155-V212 HydrophobicContact CE3-CG2 4.33Å; W155-V212 HydrophobicContact CG-CG1 4.44Å; W155-V212 HydrophobicContact CZ2-CG1 4.41Å; Q167-V212 HydrophobicContact CB-CG1 4.17Å; Q167-V212 HydrophobicContact CG-CG1 4.45Å; N168-V212 WeakPolarHBondContact O-CA 3.36Å; L169-V212 HydrophobicContact CD1-CG2 4.36Å; V212-A223 CarbonylContact O-C 3.56Å; V212-A223 WeakPolarHBondContact O-CA 3.41Å; V212-T224 PolarHBondContact N-O 3.46Å; V212-T224 PolarHBondContact O-N 2.91Å; V212-F226 HydrophobicContact CG2-CE2 4.26Å |
| 213 | N | 94.1 | Very high | 93 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -169 | 177.5 | 69.2 | 41.1 | 0 | 0 | 0 | 110.1 | Q167 N168 Y170 A223 | Q167-N213 CarbonylContact C-O 3.21Å; Q167-N213 WeakPolarHBondContact CA-O 3.3Å; N168-N213 PolarHBondContact N-O 2.73Å; N168-N213 PolarHBondContact O-N 2.86Å; Y170-N213 WeakPolarHBondContact CD2-ND2 3.32Å; Y170-N213 WeakPolarHBondContact CE2-ND2 3.35Å; Y170-N213 WeakPolarHBondContact CE2-OD1 3.41Å; N213-A223 HydrophobicContact CB-CB 3.93Å |
| 214 | G | 92.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | -175.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L166 L221 | L166-G214 VanDerWaalsContact O-CA 3.23Å; L166-G214 WeakPolarHBondContact O-CA 3.36Å; G214-L221 PolarHBondContact O-N 3.46Å |
| 215 | S | 90.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 56% | 0.559 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 159.7 | 179 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | A165 L166 | A165-S215 WeakPolarHBondContact CA-O 3.17Å; A165-S215 WeakPolarHBondContact CB-O 3.47Å; L166-S215 PolarHBondContact N-O 2.84Å; L166-S215 PolarHBondContact O-N 3.5Å |
| 216 | S | 90.3 | Very high | 93.7 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 173.9 | 179.5 | 75.3 | 0 | 0 | 0 | 0 | 110 | E218 G219 | S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.07Å; S216-G219 PolarHBondContact N-O 3.33Å; S216-G219 PolarHBondContact O-N 2.85Å; S216-G219 PolarHBondContact OG-N 3.03Å; S216-G219 PolarHBondContact OG-O 2.89Å |
| 217 | R | 87.8 | Confident | 93.8 | Very high | 240 Ų | 240 | 44.3 Ų | 44.3 | 91% | 0.906 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.1 | 172.5 | -66.3 | -175.7 | 178.8 | -174.2 | -1.6 | 113.3 | G219 | R217-G219 VanDerWaalsContact C-N 3.35Š|
| 218 | E | 87.3 | Confident | 93.8 | Very high | 131 Ų | 131 | 43.7 Ų | 43.7 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.2 | 179.6 | -66 | 144.1 | -110.5 | 0 | 0 | 112.5 | L133 P162 S216 | L133-E218 HydrophobicContact CD1-CB 3.73Å; P162-E218 VanDerWaalsContact CG-OE1 3.24Å; P162-E218 WeakPolarHBondContact CG-OE1 3.49Å; S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.07Å |
| 219 | G | 89.2 | Confident | 93.8 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -173.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S216 R217 | S216-G219 PolarHBondContact N-O 3.33Å; S216-G219 PolarHBondContact O-N 2.85Å; S216-G219 PolarHBondContact OG-N 3.03Å; S216-G219 PolarHBondContact OG-O 2.89Å; R217-G219 VanDerWaalsContact C-N 3.35Å |
| 220 | P | 92.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 45 Ų | 45 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 149.5 | 174.7 | 27.4 | -33.8 | 0 | 0 | 0 | 111.6 | G132 L133 | G132-P220 WeakPolarHBondContact CA-O 3.35Å; L133-P220 PolarHBondContact N-O 2.89Å |
| 221 | L | 93.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 158.8 | 168.5 | -53.4 | -176.2 | 0 | 0 | 0 | 109.9 | T136 T161 A165 Q167 G214 A223 | T136-L221 HydrophobicContact CG2-CD2 4.21Å; T136-L221 WeakPolarHBondContact OG1-CA 3.3Å; T161-L221 HydrophobicContact CG2-CD1 3.82Å; T161-L221 HydrophobicContact CG2-CD2 4.2Å; A165-L221 HydrophobicContact CB-CD1 4.1Å; A165-L221 HydrophobicContact CB-CD2 4.04Å; Q167-L221 HydrophobicContact CG-CD1 3.56Å; G214-L221 PolarHBondContact O-N 3.46Å; L221-A223 PolarHBondContact O-N 2.66Å |
| 222 | K | 94.5 | Very high | 93.3 | Very high | 46 Ų | 46 | 46 Ų | 46 | 20% | 0.2 | 24% | 0.243 | C | C | . | . | trans | -70.8 | 114.1 | 174.1 | -172.4 | 59 | 173.2 | 175.4 | 0 | 109.4 | T131 T136 E137 | T131-K222 WeakPolarHBondContact O-CD 3.38Å; T131-K222 PolarHBondContact O-NZ 3.39Å; T136-K222 PolarHBondContact OG1-N 3.13Å; E137-K222 WeakPolarHBondContact CA-O 3.34Å; E137-K222 HydrophobicContact CB-CB 4.17Å; E137-K222 HydrophobicContact CB-CG 4.27Å | ||
| 223 | A | 94.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | trans | -63.4 | 149.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V212 N213 L221 F225 | V212-A223 CarbonylContact O-C 3.56Å; V212-A223 WeakPolarHBondContact O-CA 3.41Å; N213-A223 HydrophobicContact CB-CB 3.93Å; L221-A223 PolarHBondContact O-N 2.66Å; A223-F225 HydrophobicContact CB-CE2 3.94Å; A223-F225 HydrophobicContact CB-CZ 4.23Å | ||
| 224 | T | 95.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.7 | 178.9 | -36.3 | 0 | 0 | 0 | 0 | 109.1 | A138 C211 V212 F226 | A138-T224 PolarHBondContact N-OG1 3.45Å; C211-T224 WeakPolarHBondContact CA-O 2.99Å; V212-T224 PolarHBondContact N-O 3.46Å; V212-T224 PolarHBondContact O-N 2.91Å; T224-F226 HydrophobicContact CG2-CE1 3.94Å; T224-F226 HydrophobicContact CG2-CE2 4.02Å; T224-F226 HydrophobicContact CG2-CZ 3.39Å |
| 225 | F | 95.9 | Very high | 93.4 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146 | -172.8 | -61 | -94.5 | 0 | 0 | 0 | 111.4 | L43 P94 F210 C211 A223 | L43-F225 HydrophobicContact CB-CE1 4.49Å; P94-F225 HydrophobicContact CB-CD2 4.39Å; P94-F225 HydrophobicContact CB-CE1 4.27Å; P94-F225 HydrophobicContact CB-CE2 3.85Å; P94-F225 HydrophobicContact CB-CZ 3.79Å; P94-F225 HydrophobicContact CG-CD1 4.12Å; P94-F225 HydrophobicContact CG-CD2 4.47Å; P94-F225 HydrophobicContact CG-CE1 3.8Å; P94-F225 HydrophobicContact CG-CE2 4.2Å; P94-F225 HydrophobicContact CG-CG 4.45Å; P94-F225 HydrophobicContact CG-CZ 3.85Å; F210-F225 CarbonylContact O-C 3.59Å; F210-F225 VanDerWaalsContact O-CA 3.29Å; F210-F225 WeakPolarHBondContact O-CA 3.45Å; C211-F225 HydrophobicContact CB-CD1 3.71Å; C211-F225 HydrophobicContact CB-CE1 3.69Å; C211-F225 WeakPolarHBondContact SG-CE1 3.36Å; A223-F225 HydrophobicContact CB-CE2 3.94Å; A223-F225 HydrophobicContact CB-CZ 4.23Å |
| 226 | F | 96.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.8 | -177.1 | -47.3 | -82.7 | 0 | 0 | 0 | 109.9 | F141 Y209 F210 V212 T224 | F141-F226 HydrophobicContact CB-CD1 4.07Å; F141-F226 HydrophobicContact CB-CD2 4.08Å; F141-F226 HydrophobicContact CB-CE1 3.59Å; F141-F226 HydrophobicContact CB-CE2 3.6Å; F141-F226 HydrophobicContact CB-CG 4.3Å; F141-F226 HydrophobicContact CB-CZ 3.33Å; F141-F226 HydrophobicContact CD1-CB 3.92Å; F141-F226 AromaticContact CD1-CD1 3.88Å; F141-F226 HydrophobicContact CD1-CD1 3.88Å; F141-F226 AromaticContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CD2 3.46Å; F141-F226 VanDerWaalsContact CD1-CD2 3.46Å; F141-F226 HydrophobicContact CD1-CE1 4.28Å; F141-F226 AromaticContact CD1-CE2 3.9Å; F141-F226 HydrophobicContact CD1-CE2 3.9Å; F141-F226 AromaticContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CG 3.45Å; F141-F226 VanDerWaalsContact CD1-CG 3.45Å; F141-F226 HydrophobicContact CD1-CZ 4.29Å; F141-F226 HydrophobicContact CD2-CD2 4.13Å; F141-F226 AromaticContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CD2-CE2 3.95Å; F141-F226 HydrophobicContact CE1-CB 4.01Å; F141-F226 AromaticContact CE1-CD2 3.86Å; F141-F226 HydrophobicContact CE1-CD2 3.86Å; F141-F226 AromaticContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE1-CG 3.96Å; F141-F226 HydrophobicContact CE2-CD2 4.5Å; F141-F226 HydrophobicContact CG-CD1 4.24Å; F141-F226 AromaticContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CD2 3.61Å; F141-F226 HydrophobicContact CG-CE1 4.18Å; F141-F226 AromaticContact CG-CE2 3.54Å; F141-F226 HydrophobicContact CG-CE2 3.54Å; F141-F226 AromaticContact CG-CG 3.98Å; F141-F226 HydrophobicContact CG-CG 3.98Å; F141-F226 AromaticContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CG-CZ 3.83Å; F141-F226 HydrophobicContact CZ-CD2 4.37Å; Y209-F226 CarbonylContact C-O 3.34Å; Y209-F226 WeakPolarHBondContact CA-O 3.26Å; F210-F226 HydrophobicContact CB-CB 4.37Å; F210-F226 HydrophobicContact CB-CD2 4.41Å; F210-F226 PolarHBondContact N-O 3.03Å; F210-F226 PolarHBondContact O-N 2.76Å; V212-F226 HydrophobicContact CG2-CE2 4.26Å; T224-F226 HydrophobicContact CG2-CE1 3.94Å; T224-F226 HydrophobicContact CG2-CE2 4.02Å; T224-F226 HydrophobicContact CG2-CZ 3.39Å |
| 227 | S | 96 | Very high | 93.6 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 22% | 0.217 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.3 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | Y209 | Y209-S227 WeakPolarHBondContact CE1-OG 3.42Å |
| 228 | L | 95.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 34.2 Ų | 34.2 | 19% | 0.194 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.3 | 178.9 | -64.1 | 174.2 | 0 | 0 | 0 | 110.3 | F141 C143 I208 F210 | F141-L228 HydrophobicContact CD1-CD1 4.4Å; F141-L228 HydrophobicContact CE1-CD1 3.79Å; C143-L228 HydrophobicContact CB-CD1 4.04Å; I208-L228 PolarHBondContact N-O 2.89Å; I208-L228 PolarHBondContact O-N 3.07Å; F210-L228 HydrophobicContact CD2-CD1 4.45Å; F210-L228 HydrophobicContact CE2-CB 4.17Å; F210-L228 HydrophobicContact CE2-CD1 4.3Å |
| 229 | Q | 95.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 28 Ų | 28 | 24% | 0.243 | 16% | 0.161 | C | C | . | . | trans | -109.5 | 122.1 | 165.7 | -50.9 | -165.2 | 0.3 | 0 | 0 | 108.5 | D207 Q231 N232 | D207-Q229 VanDerWaalsContact OD1-CG 3.27Å; D207-Q229 WeakPolarHBondContact OD1-CG 3.43Å; D207-Q229 PolarHBondContact OD1-NE2 3.41Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.97Å; Q229-N232 WeakPolarHBondContact O-CB 3.22Å; Q229-N232 PolarHBondContact O-N 2.73Å; Q229-N232 VanDerWaalsContact O-N 3.09Å | ||
| 230 | I | 93.8 | Very high | 94 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -67.5 | -27.4 | -165.2 | 50.9 | 162.7 | 0 | 0 | 0 | 114.6 | Y145 L151 L202 E204 I208 N232 Q233 | Y145-I230 HydrophobicContact CD1-CB 4.21Å; Y145-I230 HydrophobicContact CD1-CD1 4.4Å; Y145-I230 HydrophobicContact CE1-CD1 3.98Å; L151-I230 HydrophobicContact CD1-CG2 4.03Å; L151-I230 HydrophobicContact CD2-CG2 3.8Å; L202-I230 HydrophobicContact CB-CD1 4Å; L202-I230 WeakPolarHBondContact O-CD1 3.46Å; E204-I230 HydrophobicContact CG-CD1 3.72Å; E204-I230 HydrophobicContact CG-CG1 4.08Å; I208-I230 HydrophobicContact CD1-CB 4.4Å; I208-I230 HydrophobicContact CD1-CD1 4.4Å; I208-I230 HydrophobicContact CD1-CG1 4.05Å; I208-I230 HydrophobicContact CD1-CG2 3.62Å; I230-N232 PolarHBondContact O-N 3.46Å; I230-Q233 WeakPolarHBondContact O-CB 3.33Å; I230-Q233 PolarHBondContact O-N 3.46Å |
| 231 | Q | 92.5 | Very high | 94 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -63.5 | -34.2 | 174.9 | 78.9 | -70.6 | -10.7 | 0 | 0 | 111 | F205 Q229 Q233 V234 V319 | F205-Q231 HydrophobicContact CD1-CG 3.92Å; F205-Q231 HydrophobicContact CE1-CG 3.78Å; F205-Q231 HydrophobicContact CG-CG 4.42Å; F205-Q231 HydrophobicContact CZ-CB 4.37Å; F205-Q231 HydrophobicContact CZ-CG 4.13Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 2.97Å; Q231-Q233 PolarHBondContact O-N 3.27Å; Q231-Q233 VanDerWaalsContact O-N 3.13Å; Q231-V234 WeakPolarHBondContact O-CG2 3.39Å; Q231-V234 PolarHBondContact O-N 3.32Å; Q231-V319 HydrophobicContact CB-CG1 3.95Å; Q231-V319 HydrophobicContact CG-CG1 3.86Å; Q231-V319 WeakPolarHBondContact O-CG1 3.44Å |
| 232 | N | 95.6 | Very high | 94 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -76.5 | 7.1 | 175.8 | -65.5 | -14.2 | 0 | 0 | 0 | 113 | Q229 I230 V319 D320 Q321 | Q229-N232 WeakPolarHBondContact O-CB 3.22Å; Q229-N232 PolarHBondContact O-N 2.73Å; Q229-N232 VanDerWaalsContact O-N 3.09Å; I230-N232 PolarHBondContact O-N 3.46Å; N232-V319 WeakPolarHBondContact OD1-CB 3.3Å; N232-D320 PolarHBondContact ND2-OD2 2.82Å; N232-D320 PolarHBondContact OD1-N 2.83Å; N232-Q321 CarbonylContact C-O 3.48Å; N232-Q321 WeakPolarHBondContact CA-O 3.49Å |
| 233 | Q | 95.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -121.5 | 14.6 | -179.5 | -56.6 | -67.7 | -91.3 | 0 | 0 | 112.1 | C143 Y145 I230 Q231 F323 | C143-Q233 PolarHBondContact O-OE1 2.89Å; Y145-Q233 PolarHBondContact N-O 3.12Å; I230-Q233 WeakPolarHBondContact O-CB 3.33Å; I230-Q233 PolarHBondContact O-N 3.46Å; Q231-Q233 PolarHBondContact O-N 3.27Å; Q231-Q233 VanDerWaalsContact O-N 3.13Å; Q233-F323 HydrophobicContact CB-CE2 4.3Å; Q233-F323 WeakPolarHBondContact O-CD2 3.43Å; Q233-F323 VanDerWaalsContact O-CE2 3.31Å; Q233-F323 WeakPolarHBondContact O-CE2 3.42Å |
| 234 | V | 93.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.1 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | Y145 M148 Q231 V236 L263 L314 F323 | Y145-V234 HydrophobicContact CD1-CG2 3.74Å; Y145-V234 HydrophobicContact CG-CG2 4.25Å; Y145-V234 VanDerWaalsContact O-CA 3.3Å; Y145-V234 WeakPolarHBondContact O-CA 3.45Å; M148-V234 HydrophobicContact CG-CG1 4.22Å; M148-V234 HydrophobicContact CG-CG2 3.6Å; M148-V234 HydrophobicContact SD-CG2 4.43Å; Q231-V234 WeakPolarHBondContact O-CG2 3.39Å; Q231-V234 PolarHBondContact O-N 3.32Å; V234-V236 HydrophobicContact CG1-CG1 3.85Å; V234-L263 HydrophobicContact CG1-CD2 4.35Å; V234-L314 HydrophobicContact CB-CD1 3.82Å; V234-L314 HydrophobicContact CG1-CD1 3.84Å; V234-L314 HydrophobicContact CG1-CG 4.2Å; V234-L314 HydrophobicContact CG2-CD1 4.05Å; V234-F323 PolarHBondContact O-N 2.92Å |
| 235 | K | 95.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.4 | 160.1 | -168 | -174.3 | -173 | -167.2 | 0 | 108.4 | V144 Y145 H146 N147 F323 W324 D326 | V144-K235 HydrophobicContact CG1-CB 3.46Å; V144-K235 VanDerWaalsContact CG1-CB 3.46Å; V144-K235 HydrophobicContact CG1-CD 4.45Å; Y145-K235 PolarHBondContact O-N 3.14Å; H146-K235 WeakPolarHBondContact CA-O 3.32Å; N147-K235 PolarHBondContact N-O 3.17Å; K235-F323 HydrophobicContact CB-CB 3.8Å; K235-F323 HydrophobicContact CB-CD2 4.22Å; K235-F323 HydrophobicContact CB-CG 4.41Å; K235-F323 HydrophobicContact CG-CB 3.89Å; K235-W324 WeakPolarHBondContact CE-O 3.01Å; K235-D326 IonicContact NZ-OD1 2.69Å; K235-D326 PolarHBondContact NZ-OD1 3.44Å; K235-D326 IonicContact NZ-OD2 2.73Å; K235-D326 PolarHBondContact NZ-OD2 3.46Å |
| 236 | V | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 154.9 | 174.9 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | V234 L263 L268 S312 S325 | V234-V236 HydrophobicContact CG1-CG1 3.85Å; V236-L263 HydrophobicContact CB-CD1 4.01Å; V236-L263 HydrophobicContact CG1-CD1 3.58Å; V236-L263 HydrophobicContact CG1-CD2 3.83Å; V236-L263 HydrophobicContact CG1-CG 4.37Å; V236-L268 HydrophobicContact CG1-CD2 4.33Å; V236-S312 VanDerWaalsContact CG2-OG 3.24Å; V236-S312 WeakPolarHBondContact CG2-OG 3.38Å; V236-S325 WeakPolarHBondContact O-CA 3.47Å; V236-S325 WeakPolarHBondContact O-CB 3.44Å |
| 237 | T | 92.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 149.4 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | N147 P259 | N147-T237 VanDerWaalsContact CG-OG1 3.23Å; N147-T237 PolarHBondContact ND2-OG1 2.82Å; N147-T237 WeakPolarHBondContact OD1-CB 3.26Å; N147-T237 PolarHBondContact OD1-N 2.86Å; N147-T237 PolarHBondContact OD1-OG1 3.36Å; T237-P259 WeakPolarHBondContact O-CG 3.32Å |
| 238 | A | 93.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 141.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | D240 D326 | A238-D240 PolarHBondContact O-N 3.25Å; A238-D326 WeakPolarHBondContact CB-O 3.34Å |
| 239 | P | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.2 | 172.4 | -26.6 | 37.8 | 0 | 0 | 0 | 111.4 | L242 W256 P259 W270 V310 S328 | P239-L242 HydrophobicContact CB-CD2 4.07Å; P239-W256 HydrophobicContact CB-CB 4.46Å; P239-P259 HydrophobicContact CG-CG 4.44Å; P239-W270 HydrophobicContact CG-CE3 4.43Å; P239-W270 HydrophobicContact CG-CZ3 3.67Å; P239-V310 HydrophobicContact CB-CG1 3.92Å; P239-V310 HydrophobicContact CG-CG1 3.88Å; P239-S328 WeakPolarHBondContact O-CB 3.35Å |
| 240 | D | 88.8 | Confident | 89.8 | Confident | 116 Ų | 116 | 48.5 Ų | 48.5 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | trans | -97.2 | -41.1 | -178.6 | 62.5 | -27.9 | 0 | 0 | 0 | 111.7 | A238 | A238-D240 PolarHBondContact O-N 3.25Š| ||
| 241 | K | 91.5 | Very high | 89.6 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | trans | -89.2 | 105.6 | 177.5 | -62 | 174.4 | -178.1 | 179.5 | 0 | 111.2 | W256 E257 | K241-W256 WeakPolarHBondContact O-CA 3.31Å; K241-W256 WeakPolarHBondContact O-CB 3.21Å; K241-E257 HydrophobicContact CB-CB 4.23Å; K241-E257 HydrophobicContact CB-CG 4.34Å; K241-E257 HydrophobicContact CD-CB 4.12Å; K241-E257 HydrophobicContact CD-CG 3.91Å; K241-E257 WeakPolarHBondContact CD-OE1 3.45Å; K241-E257 WeakPolarHBondContact CD-OE2 3.24Å; K241-E257 IonicContact NZ-OE1 3.12Å; K241-E257 PolarHBondContact NZ-OE1 3.13Å; K241-E257 IonicContact NZ-OE2 3.51Å; K241-E257 PolarHBondContact NZ-OE2 2.68Å; K241-E257 PolarHBondContact O-N 2.68Å | ||
| 242 | L | 93.5 | Very high | 89.5 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.9 | 177 | -55.2 | -175.8 | 0 | 0 | 0 | 109.9 | P239 F254 W256 V310 L329 T331 | P239-L242 HydrophobicContact CB-CD2 4.07Å; L242-F254 HydrophobicContact CB-CE2 4.17Å; L242-F254 HydrophobicContact CD1-CE2 4.46Å; L242-F254 HydrophobicContact CD1-CZ 4.42Å; L242-F254 HydrophobicContact CD2-CE2 4.45Å; L242-F254 HydrophobicContact CD2-CZ 4.18Å; L242-W256 HydrophobicContact CD2-CB 3.69Å; L242-V310 HydrophobicContact CD2-CG1 3.52Å; L242-L329 WeakPolarHBondContact CD1-O 3.48Å; L242-T331 WeakPolarHBondContact CB-OG1 3.34Å; L242-T331 WeakPolarHBondContact CD1-OG1 3.39Å |
| 243 | H | 93 | Very high | 89.4 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.9 | 179.3 | -57.3 | -84.4 | 0 | 0 | 0 | 108.9 | F254 H255 | H243-F254 WeakPolarHBondContact O-CA 3.21Å; H243-F254 WeakPolarHBondContact O-CD2 3.33Å; H243-H255 WeakPolarHBondContact CB-CE1 3.37Å; H243-H255 WeakPolarHBondContact CB-NE2 3.15Å; H243-H255 AromaticContact CD2-CE1 3.59Å; H243-H255 AromaticContact CD2-ND1 3.78Å; H243-H255 AromaticContact CG-CE1 3.49Å; H243-H255 VanDerWaalsContact CG-CE1 3.49Å; H243-H255 AromaticContact CG-ND1 3.99Å; H243-H255 AromaticContact CG-NE2 3.94Å; H243-H255 PolarHBondContact N-O 2.88Å; H243-H255 PolarHBondContact O-N 3.35Å; H243-H255 VanDerWaalsContact O-O 3.14Å |
| 244 | L | 91.8 | Very high | 89.4 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 108.1 | -176.5 | -176.1 | 64.2 | 0 | 0 | 0 | 108.4 | L252 E253 F254 F308 T331 C332 H333 | L244-L252 HydrophobicContact CD1-CD1 3.9Å; L244-L252 HydrophobicContact CD1-CD2 4.02Å; L244-L252 HydrophobicContact CD1-CG 3.78Å; L244-L252 HydrophobicContact CG-CD1 4.16Å; L244-E253 WeakPolarHBondContact CA-O 3.5Å; L244-F254 HydrophobicContact CB-CD2 4.29Å; L244-F254 HydrophobicContact CD1-CB 3.8Å; L244-F254 HydrophobicContact CD1-CD2 3.93Å; L244-F254 HydrophobicContact CD1-CG 4.25Å; L244-F308 HydrophobicContact CD1-CD2 3.7Å; L244-F308 HydrophobicContact CD1-CE2 3.56Å; L244-F308 HydrophobicContact CD1-CZ 4.4Å; L244-F308 HydrophobicContact CD2-CD2 3.77Å; L244-F308 HydrophobicContact CD2-CE2 4.03Å; L244-F308 HydrophobicContact CG-CD2 4.41Å; L244-F308 HydrophobicContact CG-CE2 4.47Å; L244-T331 HydrophobicContact CB-CG2 3.75Å; L244-T331 HydrophobicContact CD2-CG2 3.94Å; L244-C332 VanDerWaalsContact CD2-C 3.49Å; L244-H333 HydrophobicContact CD2-CB 3.7Å; L244-H333 HydrophobicContact CG-CB 4.15Å |
| 245 | Q | 89.3 | Confident | 89.4 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148.6 | -171.8 | 66.8 | -177.7 | 8.6 | 0 | 0 | 112.2 | E253 | Q245-E253 HydrophobicContact CG-CB 4.14Å; Q245-E253 PolarHBondContact N-O 2.73Å; Q245-E253 PolarHBondContact NE2-OE2 2.99Å; Q245-E253 PolarHBondContact O-N 2.83Å |
| 246 | T | 86.3 | Confident | 89.4 | Confident | 57 Ų | 57 | 54 Ų | 54 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 108.9 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | S248 F299 H333 | T246-S248 WeakPolarHBondContact CG2-O 3.06Å; T246-F299 HydrophobicContact CG2-CD1 3.94Å; T246-F299 HydrophobicContact CG2-CE1 3.86Å; T246-H333 PolarHBondContact OG1-CE1 3.47Å |
| 247 | S | 78 | Confident | 89.4 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -35.3 | -179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | E251 | S247-E251 PolarHBondContact N-O 3.18Å |
| 248 | S | 77.6 | Confident | 89.2 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 167.7 | 173.3 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | T246 T250 E251 | T246-S248 WeakPolarHBondContact CG2-O 3.06Å; S248-T250 PolarHBondContact O-N 3.14Å; S248-T250 PolarHBondContact OG-N 2.94Å; S248-T250 PolarHBondContact OG-OG1 3.08Å; S248-T250 VanDerWaalsContact OG-OG1 3.07Å; S248-E251 PolarHBondContact O-N 2.97Å; S248-E251 WeakPolarHBondContact OG-CB 3.38Å; S248-E251 PolarHBondContact OG-N 3.06Å |
| 249 | D | 76.8 | Confident | 88.8 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -13.8 | 173 | -75.9 | -63.4 | 0 | 0 | 0 | 114.4 | N301 | D249-N301 PolarHBondContact OD1-ND2 2.87Š|
| 250 | T | 83.6 | Confident | 88 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -4.7 | -178.9 | 47.1 | 0 | 0 | 0 | 0 | 115 | S248 F299 | S248-T250 PolarHBondContact O-N 3.14Å; S248-T250 PolarHBondContact OG-N 2.94Å; S248-T250 PolarHBondContact OG-OG1 3.08Å; S248-T250 VanDerWaalsContact OG-OG1 3.07Å; T250-F299 PolarHBondContact O-N 2.91Å |
| 251 | E | 89.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 41% | 0.407 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 128.6 | -175.9 | -65 | -173.9 | 145.4 | 0 | 0 | 113.9 | S247 S248 T296 | S247-E251 PolarHBondContact N-O 3.18Å; S248-E251 PolarHBondContact O-N 2.97Å; S248-E251 WeakPolarHBondContact OG-CB 3.38Å; S248-E251 PolarHBondContact OG-N 3.06Å; E251-T296 HydrophobicContact CB-CG2 4.25Å; E251-T296 HydrophobicContact CG-CG2 4.47Å |
| 252 | L | 90.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 119.7 | 173.6 | -174.5 | 67.4 | 0 | 0 | 0 | 108.8 | L244 L297 F299 N306 F308 H333 | L244-L252 HydrophobicContact CD1-CD1 3.9Å; L244-L252 HydrophobicContact CD1-CD2 4.02Å; L244-L252 HydrophobicContact CD1-CG 3.78Å; L244-L252 HydrophobicContact CG-CD1 4.16Å; L252-L297 PolarHBondContact N-O 3.22Å; L252-L297 PolarHBondContact O-N 3.32Å; L252-F299 HydrophobicContact CB-CB 3.83Å; L252-F299 HydrophobicContact CB-CD2 4.05Å; L252-F299 HydrophobicContact CB-CG 4.02Å; L252-F299 HydrophobicContact CD2-CD2 4.2Å; L252-N306 HydrophobicContact CD2-CB 3.73Å; L252-F308 HydrophobicContact CD2-CE2 3.81Å; L252-F308 HydrophobicContact CD2-CZ 4.03Å; L252-H333 HydrophobicContact CD1-CB 4.03Å; L252-H333 HydrophobicContact CD2-CB 4.27Å |
| 253 | E | 93.3 | Very high | 85.6 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126 | 178.2 | -176.4 | 177.4 | -145 | 0 | 0 | 110 | L244 Q245 | L244-E253 WeakPolarHBondContact CA-O 3.5Å; Q245-E253 HydrophobicContact CG-CB 4.14Å; Q245-E253 PolarHBondContact N-O 2.73Å; Q245-E253 PolarHBondContact NE2-OE2 2.99Å; Q245-E253 PolarHBondContact O-N 2.83Å |
| 254 | F | 94.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.8 | 175 | 178.2 | -122.2 | 0 | 0 | 0 | 108.7 | L242 H243 L244 W256 V272 S294 L295 F308 V310 | L242-F254 HydrophobicContact CB-CE2 4.17Å; L242-F254 HydrophobicContact CD1-CE2 4.46Å; L242-F254 HydrophobicContact CD1-CZ 4.42Å; L242-F254 HydrophobicContact CD2-CE2 4.45Å; L242-F254 HydrophobicContact CD2-CZ 4.18Å; H243-F254 WeakPolarHBondContact O-CA 3.21Å; H243-F254 WeakPolarHBondContact O-CD2 3.33Å; L244-F254 HydrophobicContact CB-CD2 4.29Å; L244-F254 HydrophobicContact CD1-CB 3.8Å; L244-F254 HydrophobicContact CD1-CD2 3.93Å; L244-F254 HydrophobicContact CD1-CG 4.25Å; F254-W256 AromaticContact CD1-CE3 3.71Å; F254-W256 HydrophobicContact CD1-CE3 3.71Å; F254-W256 AromaticContact CD1-CZ3 3.44Å; F254-W256 HydrophobicContact CD1-CZ3 3.44Å; F254-W256 VanDerWaalsContact CD1-CZ3 3.44Å; F254-W256 AromaticContact CE1-CE3 3.52Å; F254-W256 HydrophobicContact CE1-CE3 3.52Å; F254-W256 AromaticContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CG-CE3 4.35Å; F254-W256 HydrophobicContact CG-CZ3 4.3Å; F254-W256 HydrophobicContact CZ-CE3 4.04Å; F254-V272 HydrophobicContact CD1-CG1 4.06Å; F254-V272 HydrophobicContact CE1-CG1 3.87Å; F254-V272 HydrophobicContact CE1-CG2 4.26Å; F254-S294 CarbonylContact O-C 3.57Å; F254-S294 VanDerWaalsContact O-CA 3.3Å; F254-S294 WeakPolarHBondContact O-CA 2.88Å; F254-L295 PolarHBondContact N-O 2.8Å; F254-L295 PolarHBondContact O-N 2.91Å; F254-F308 HydrophobicContact CD1-CB 4.07Å; F254-F308 AromaticContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CG 4.05Å; F254-F308 HydrophobicContact CD2-CB 4.07Å; F254-F308 HydrophobicContact CD2-CD2 4.42Å; F254-F308 HydrophobicContact CD2-CG 4.16Å; F254-F308 HydrophobicContact CE1-CB 3.77Å; F254-F308 HydrophobicContact CE1-CD1 4.32Å; F254-F308 HydrophobicContact CE1-CG 4.26Å; F254-F308 HydrophobicContact CE2-CB 3.74Å; F254-F308 HydrophobicContact CE2-CG 4.34Å; F254-F308 HydrophobicContact CG-CB 4.22Å; F254-F308 HydrophobicContact CG-CD1 4.16Å; F254-F308 HydrophobicContact CG-CD2 4.47Å; F254-F308 HydrophobicContact CG-CG 4.02Å; F254-F308 HydrophobicContact CZ-CB 3.59Å; F254-F308 HydrophobicContact CZ-CG 4.4Å; F254-V310 HydrophobicContact CE1-CB 4.25Å; F254-V310 HydrophobicContact CZ-CB 4.4Å; F254-V310 HydrophobicContact CZ-CG1 4.25Å |
| 255 | H | 94.9 | Very high | 84.9 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 27% | 0.269 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 158.2 | 178.1 | 74.3 | 86.5 | 0 | 0 | 0 | 111.5 | H243 P293 | H243-H255 WeakPolarHBondContact CB-CE1 3.37Å; H243-H255 WeakPolarHBondContact CB-NE2 3.15Å; H243-H255 AromaticContact CD2-CE1 3.59Å; H243-H255 AromaticContact CD2-ND1 3.78Å; H243-H255 AromaticContact CG-CE1 3.49Å; H243-H255 VanDerWaalsContact CG-CE1 3.49Å; H243-H255 AromaticContact CG-ND1 3.99Å; H243-H255 AromaticContact CG-NE2 3.94Å; H243-H255 PolarHBondContact N-O 2.88Å; H243-H255 PolarHBondContact O-N 3.35Å; H243-H255 VanDerWaalsContact O-O 3.14Å; H255-P293 WeakPolarHBondContact CA-O 3.36Å |
| 256 | W | 94.8 | Very high | 84.9 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 159.7 | -174.4 | 54.5 | 91 | 0 | 0 | 0 | 111.2 | P239 K241 L242 F254 W270 V272 T290 K292 P293 L295 V310 | P239-W256 HydrophobicContact CB-CB 4.46Å; K241-W256 WeakPolarHBondContact O-CA 3.31Å; K241-W256 WeakPolarHBondContact O-CB 3.21Å; L242-W256 HydrophobicContact CD2-CB 3.69Å; F254-W256 AromaticContact CD1-CE3 3.71Å; F254-W256 HydrophobicContact CD1-CE3 3.71Å; F254-W256 AromaticContact CD1-CZ3 3.44Å; F254-W256 HydrophobicContact CD1-CZ3 3.44Å; F254-W256 VanDerWaalsContact CD1-CZ3 3.44Å; F254-W256 AromaticContact CE1-CE3 3.52Å; F254-W256 HydrophobicContact CE1-CE3 3.52Å; F254-W256 AromaticContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CE1-CZ3 3.56Å; F254-W256 HydrophobicContact CG-CE3 4.35Å; F254-W256 HydrophobicContact CG-CZ3 4.3Å; F254-W256 HydrophobicContact CZ-CE3 4.04Å; W256-W270 AromaticContact CD1-CE3 3.93Å; W256-W270 AromaticContact CD1-CH2 3.7Å; W256-W270 AromaticContact CD1-CZ3 3.54Å; W256-W270 AromaticContact CE2-CD2 3.87Å; W256-W270 AromaticContact CE2-CE3 3.87Å; W256-W270 HydrophobicContact CZ2-CB 3.94Å; W256-W270 AromaticContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CE3 4.22Å; W256-W270 AromaticContact CZ2-CG 3.72Å; W256-W270 HydrophobicContact CZ2-CG 3.72Å; W256-W270 AromaticContact NE1-CD2 3.27Å; W256-W270 VanDerWaalsContact NE1-CD2 3.27Å; W256-W270 AromaticContact NE1-CE2 3.53Å; W256-W270 AromaticContact NE1-CE3 3.05Å; W256-W270 AromaticContact NE1-CH2 3.37Å; W256-W270 AromaticContact NE1-CZ2 3.59Å; W256-W270 AromaticContact NE1-CZ3 3.11Å; W256-V272 HydrophobicContact CH2-CG2 3.56Å; W256-V272 HydrophobicContact CZ2-CG2 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 3.98Å; W256-T290 HydrophobicContact CH2-CG2 4.08Å; W256-T290 HydrophobicContact CZ2-CG2 4.24Å; W256-K292 WeakPolarHBondContact CZ2-O 3.08Å; W256-P293 VanDerWaalsContact CE2-C 3.49Å; W256-P293 VanDerWaalsContact CE2-CA 3.41Å; W256-P293 VanDerWaalsContact CZ2-C 3.5Å; W256-P293 VanDerWaalsContact CZ2-CA 3.47Å; W256-P293 PolarHBondContact N-O 2.67Å; W256-L295 HydrophobicContact CZ3-CB 4.47Å; W256-V310 HydrophobicContact CD2-CG1 4.32Å; W256-V310 HydrophobicContact CD2-CG2 4.14Å; W256-V310 HydrophobicContact CG-CG1 4.27Å; W256-V310 HydrophobicContact CH2-CG2 4.47Å; W256-V310 HydrophobicContact CZ2-CG2 3.92Å |
| 257 | E | 91.6 | Very high | 85.3 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 159.8 | 171.7 | -72.7 | -169.1 | -145.6 | 0 | 0 | 111.8 | K241 | K241-E257 HydrophobicContact CB-CB 4.23Å; K241-E257 HydrophobicContact CB-CG 4.34Å; K241-E257 HydrophobicContact CD-CB 4.12Å; K241-E257 HydrophobicContact CD-CG 3.91Å; K241-E257 WeakPolarHBondContact CD-OE1 3.45Å; K241-E257 WeakPolarHBondContact CD-OE2 3.24Å; K241-E257 IonicContact NZ-OE1 3.12Å; K241-E257 PolarHBondContact NZ-OE1 3.13Å; K241-E257 IonicContact NZ-OE2 3.51Å; K241-E257 PolarHBondContact NZ-OE2 2.68Å; K241-E257 PolarHBondContact O-N 2.68Å |
| 258 | N | 88.9 | Confident | 86 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 35% | 0.353 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 141.9 | 173.4 | -66.3 | -31.5 | 0 | 0 | 0 | 110.7 | A265 L268 W270 | N258-A265 WeakPolarHBondContact ND2-CB 3.24Å; N258-L268 HydrophobicContact CB-CD1 4.18Å; N258-W270 WeakPolarHBondContact OD1-CZ2 3.47Å |
| 259 | P | 84.8 | Confident | 86.8 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -50.6 | 144.9 | 170.3 | -29.3 | 34.5 | 0 | 0 | 0 | 113.5 | T237 P239 L263 | T237-P259 WeakPolarHBondContact O-CG 3.32Å; P239-P259 HydrophobicContact CG-CG 4.44Å; P259-L263 HydrophobicContact CB-CD1 4.43Å |
| 260 | T | 74.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -67.1 | 144.5 | 175.4 | 47.2 | 0 | 0 | 0 | 0 | 112 | ||
| 261 | G | 70.4 | Confident | 88.4 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 38% | 0.381 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 138 | -162.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L263 | G261-L263 VanDerWaalsContact C-N 3.3Å; G261-L263 PolarHBondContact O-N 2.74Å |
| 262 | R | 74 | Confident | 88.8 | Confident | 155 Ų | 155 | 43.7 Ų | 43.7 | 59% | 0.585 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -90.7 | 14.2 | -179.7 | -64.5 | -178.2 | 175.2 | 172.4 | 0.9 | 114.2 | Y201 P264 | Y201-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y201-R262 PolarHBondContact OH-NH1 2.97Å; Y201-R262 PolarHBondContact OH-NH2 3.36Å; R262-P264 WeakPolarHBondContact O-CD 3.38Å |
| 263 | L | 79.8 | Confident | 89.1 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | trans | -76.8 | 120.1 | -165 | -61.5 | 159.2 | 0 | 0 | 0 | 111.3 | M148 V234 V236 P259 G261 A265 L314 | M148-L263 HydrophobicContact CG-CD2 3.93Å; M148-L263 HydrophobicContact SD-CD2 3.79Å; V234-L263 HydrophobicContact CG1-CD2 4.35Å; V236-L263 HydrophobicContact CB-CD1 4.01Å; V236-L263 HydrophobicContact CG1-CD1 3.58Å; V236-L263 HydrophobicContact CG1-CD2 3.83Å; V236-L263 HydrophobicContact CG1-CG 4.37Å; P259-L263 HydrophobicContact CB-CD1 4.43Å; G261-L263 VanDerWaalsContact C-N 3.3Å; G261-L263 PolarHBondContact O-N 2.74Å; L263-A265 PolarHBondContact O-N 3.31Å; L263-L314 HydrophobicContact CD2-CD2 4.01Å | ||
| 264 | P | 83.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 45 Ų | 45 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | trans | -67.2 | 131.4 | 174.1 | -18 | 31.5 | 0 | 0 | 0 | 110.9 | R262 H266 C267 | R262-P264 WeakPolarHBondContact O-CD 3.38Å; P264-H266 VanDerWaalsContact CB-CE1 3.49Å; P264-H266 WeakPolarHBondContact CB-CE1 3.11Å; P264-H266 PolarHBondContact O-N 3.47Å; P264-H266 VanDerWaalsContact O-N 3.14Å; P264-C267 WeakPolarHBondContact O-CB 3.38Å; P264-C267 PolarHBondContact O-N 3.26Å | ||
| 265 | A | 86.1 | Confident | 89.1 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -56.7 | -34.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N258 L263 C267 L268 | N258-A265 WeakPolarHBondContact ND2-CB 3.24Å; L263-A265 PolarHBondContact O-N 3.31Å; A265-C267 PolarHBondContact O-N 3.02Å; A265-L268 PolarHBondContact O-N 3.36Å |
| 266 | H | 90 | Very high | 88.9 | Confident | 144 Ų | 144 | 47 Ų | 47 | 67% | 0.667 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -72.7 | -10 | 178 | 62.6 | -106.1 | 0 | 0 | 0 | 114.2 | P264 N315 | P264-H266 VanDerWaalsContact CB-CE1 3.49Å; P264-H266 WeakPolarHBondContact CB-CE1 3.11Å; P264-H266 PolarHBondContact O-N 3.47Å; P264-H266 VanDerWaalsContact O-N 3.14Å; H266-N315 PolarHBondContact O-ND2 3.46Å |
| 267 | C | 92.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -90.6 | -7.1 | 173.8 | -65.2 | 0 | 0 | 0 | 0 | 113 | P264 A265 L314 N315 C318 | P264-C267 WeakPolarHBondContact O-CB 3.38Å; P264-C267 PolarHBondContact O-N 3.26Å; A265-C267 PolarHBondContact O-N 3.02Å; C267-L314 HydrophobicContact CB-CD2 3.92Å; C267-L314 CarbonylContact O-C 3.6Å; C267-L314 VanDerWaalsContact O-CA 3.24Å; C267-L314 WeakPolarHBondContact O-CA 3.46Å; C267-N315 PolarHBondContact O-N 2.71Å; C267-N315 PolarHBondContact O-ND2 3.06Å; C267-C318 WeakPolarHBondContact CA-SG 3.5Å; C267-C318 HydrophobicContact CB-CB 3.63Å; C267-C318 WeakPolarHBondContact CB-SG 3.42Å; C267-C318 WeakPolarHBondContact SG-CB 3.43Å; C267-C318 CovalentContact SG-SG 2.04Å; C267-C318 PolarHBondContact SG-SG 2.99Å |
| 268 | L | 93.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.8 | -178.7 | -66.4 | 168.9 | 0 | 0 | 0 | 111.2 | V236 N258 A265 W270 R313 L314 | V236-L268 HydrophobicContact CG1-CD2 4.33Å; N258-L268 HydrophobicContact CB-CD1 4.18Å; A265-L268 PolarHBondContact O-N 3.36Å; L268-W270 HydrophobicContact CB-CZ2 3.88Å; L268-W270 HydrophobicContact CD1-CH2 3.9Å; L268-W270 HydrophobicContact CD1-CZ2 3.78Å; L268-W270 HydrophobicContact CG-CZ2 4.43Å; L268-R313 WeakPolarHBondContact CA-O 3.31Å; L268-L314 HydrophobicContact CD2-CD2 4.17Å |
| 269 | E | 95.4 | Very high | 87.8 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.4 | 161.3 | 59.6 | 167.5 | -103.8 | 0 | 0 | 110.1 | S312 R313 N315 | E269-S312 VanDerWaalsContact O-CA 3.25Å; E269-S312 WeakPolarHBondContact O-CA 3.4Å; E269-R313 HydrophobicContact CG-CG 3.64Å; E269-R313 PolarHBondContact N-O 2.91Å; E269-R313 PolarHBondContact O-N 3.36Å; E269-R313 IonicContact OE1-CZ 2.68Å; E269-R313 IonicContact OE1-NE 2.66Å; E269-R313 PolarHBondContact OE1-NE 3.25Å; E269-R313 IonicContact OE1-NH2 3.84Å; E269-R313 PolarHBondContact OE1-NH2 2.89Å; E269-R313 IonicContact OE2-NE 2.76Å; E269-R313 IonicContact OE2-NH2 2.86Å; E269-N315 HydrophobicContact CB-CB 4.06Å; E269-N315 HydrophobicContact CG-CB 3.97Å; E269-N315 WeakPolarHBondContact OE2-CA 3.43Å |
| 270 | W | 96.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148 | -168.6 | -48.2 | 95.5 | 0 | 0 | 0 | 111.9 | P239 W256 N258 L268 H289 T290 E291 P293 V310 R311 S312 | P239-W270 HydrophobicContact CG-CE3 4.43Å; P239-W270 HydrophobicContact CG-CZ3 3.67Å; W256-W270 AromaticContact CD1-CE3 3.93Å; W256-W270 AromaticContact CD1-CH2 3.7Å; W256-W270 AromaticContact CD1-CZ3 3.54Å; W256-W270 AromaticContact CE2-CD2 3.87Å; W256-W270 AromaticContact CE2-CE3 3.87Å; W256-W270 HydrophobicContact CZ2-CB 3.94Å; W256-W270 AromaticContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CD2 3.87Å; W256-W270 HydrophobicContact CZ2-CE3 4.22Å; W256-W270 AromaticContact CZ2-CG 3.72Å; W256-W270 HydrophobicContact CZ2-CG 3.72Å; W256-W270 AromaticContact NE1-CD2 3.27Å; W256-W270 VanDerWaalsContact NE1-CD2 3.27Å; W256-W270 AromaticContact NE1-CE2 3.53Å; W256-W270 AromaticContact NE1-CE3 3.05Å; W256-W270 AromaticContact NE1-CH2 3.37Å; W256-W270 AromaticContact NE1-CZ2 3.59Å; W256-W270 AromaticContact NE1-CZ3 3.11Å; N258-W270 WeakPolarHBondContact OD1-CZ2 3.47Å; L268-W270 HydrophobicContact CB-CZ2 3.88Å; L268-W270 HydrophobicContact CD1-CH2 3.9Å; L268-W270 HydrophobicContact CD1-CZ2 3.78Å; L268-W270 HydrophobicContact CG-CZ2 4.43Å; W270-H289 WeakPolarHBondContact O-CA 3.42Å; W270-T290 HydrophobicContact CB-CG2 3.84Å; W270-T290 WeakPolarHBondContact CB-O 3.4Å; W270-T290 VanDerWaalsContact CD1-O 3.24Å; W270-T290 HydrophobicContact CG-CG2 4.36Å; W270-T290 PolarHBondContact N-O 2.92Å; W270-T290 PolarHBondContact O-N 2.91Å; W270-E291 PolarHBondContact NE1-O 2.89Å; W270-P293 HydrophobicContact CZ2-CB 4.02Å; W270-V310 HydrophobicContact CB-CG2 4.44Å; W270-V310 HydrophobicContact CE3-CG2 3.91Å; W270-R311 WeakPolarHBondContact CA-O 3.41Å; W270-S312 VanDerWaalsContact CZ3-CB 3.46Å |
| 271 | E | 97.4 | Very high | 87.8 | Confident | 11 Ų | 11 | 48 Ų | 48 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 118.4 | 164.7 | -175 | -171 | 150.4 | 0 | 0 | 108.7 | H287 I288 H289 V310 R311 W324 W327 | E271-H287 IonicContact OE1-CE1 3.32Å; E271-H287 PolarHBondContact OE1-CE1 3.02Å; E271-H287 VanDerWaalsContact OE1-CE1 3.32Å; E271-H287 IonicContact OE1-CG 3.88Å; E271-H287 IonicContact OE1-ND1 2.69Å; E271-H287 PolarHBondContact OE1-ND1 3.37Å; E271-I288 WeakPolarHBondContact CA-O 3.22Å; E271-H289 IonicContact OE2-CE1 3.81Å; E271-V310 WeakPolarHBondContact O-CA 3.48Å; E271-R311 HydrophobicContact CB-CG 3.95Å; E271-R311 PolarHBondContact N-O 3.01Å; E271-R311 PolarHBondContact O-N 2.84Å; E271-R311 IonicContact OE1-NE 3.92Å; E271-R311 IonicContact OE1-NH2 3.56Å; E271-R311 IonicContact OE2-CZ 2.68Å; E271-R311 IonicContact OE2-NE 2.73Å; E271-R311 PolarHBondContact OE2-NE 2.96Å; E271-R311 IonicContact OE2-NH2 2.74Å; E271-R311 PolarHBondContact OE2-NH2 2.97Å; E271-W324 HydrophobicContact CB-CH2 3.72Å; E271-W324 HydrophobicContact CB-CZ2 4.43Å; E271-W324 HydrophobicContact CB-CZ3 3.81Å; E271-W327 HydrophobicContact CB-CH2 4.44Å; E271-W327 HydrophobicContact CG-CH2 3.89Å; E271-W327 WeakPolarHBondContact O-CZ3 3.24Å; E271-W327 VanDerWaalsContact OE1-CH2 3.31Å; E271-W327 WeakPolarHBondContact OE1-CH2 3.41Å; E271-W327 WeakPolarHBondContact OE1-CZ2 3.33Å |
| 272 | V | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | F254 W256 I288 L295 F308 K309 V310 | F254-V272 HydrophobicContact CD1-CG1 4.06Å; F254-V272 HydrophobicContact CE1-CG1 3.87Å; F254-V272 HydrophobicContact CE1-CG2 4.26Å; W256-V272 HydrophobicContact CH2-CG2 3.56Å; W256-V272 HydrophobicContact CZ2-CG2 4.22Å; W256-V272 HydrophobicContact CZ3-CG2 3.98Å; V272-I288 HydrophobicContact CB-CB 4.44Å; V272-I288 PolarHBondContact N-O 3.11Å; V272-I288 PolarHBondContact O-N 3.11Å; V272-L295 HydrophobicContact CG1-CD2 4.19Å; V272-F308 HydrophobicContact CG1-CD1 3.9Å; V272-K309 CarbonylContact C-O 3.36Å; V272-K309 WeakPolarHBondContact CA-O 3.43Å; V272-V310 HydrophobicContact CG2-CB 4.31Å; V272-V310 HydrophobicContact CG2-CG2 4.04Å |
| 273 | R | 96.7 | Very high | 89.2 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.7 | 166.8 | 176.5 | -176.7 | -73.1 | 135.4 | -7 | 108.4 | L285 N286 H287 F308 K309 W327 | R273-L285 HydrophobicContact CG-CD1 3.67Å; R273-N286 WeakPolarHBondContact CA-O 3.25Å; R273-H287 PolarHBondContact NE-CE1 2.79Å; R273-H287 PolarHBondContact NE-NE2 2.83Å; R273-H287 PolarHBondContact NH2-CE1 2.93Å; R273-F308 WeakPolarHBondContact O-CA 3.44Å; R273-K309 PolarHBondContact N-O 3.13Å; R273-K309 PolarHBondContact O-N 2.9Å; R273-W327 HydrophobicContact CB-CE3 4.41Å; R273-W327 HydrophobicContact CB-CH2 3.73Å; R273-W327 HydrophobicContact CB-CZ3 3.62Å |
| 274 | H | 94.7 | Very high | 89.6 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.3 | 175.5 | 171.6 | -137.2 | 0 | 0 | 0 | 109.6 | L285 N286 I288 N306 F308 | H274-L285 WeakPolarHBondContact O-CA 3.34Å; H274-N286 HydrophobicContact CB-CB 4.34Å; H274-N286 PolarHBondContact N-O 2.97Å; H274-N286 PolarHBondContact O-N 2.73Å; H274-I288 HydrophobicContact CB-CD1 4.4Å; H274-N306 PolarHBondContact NE2-OD1 3.48Å; H274-F308 HydrophobicContact CB-CD1 4.12Å; H274-F308 HydrophobicContact CB-CE1 3.89Å; H274-F308 AromaticContact CD2-CD1 3.97Å; H274-F308 AromaticContact CD2-CE1 3.24Å; H274-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H274-F308 AromaticContact CD2-CZ 3.33Å; H274-F308 WeakPolarHBondContact CD2-CZ 3.4Å; H274-F308 AromaticContact CG-CE1 3.71Å; H274-F308 AromaticContact NE2-CE1 3.98Å; H274-F308 AromaticContact NE2-CZ 3.69Å |
| 275 | H | 92.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 55 Ų | 55 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114 | 173.5 | 174.7 | 76.8 | 0 | 0 | 0 | 109 | I283 L285 C307 | H275-I283 VanDerWaalsContact CE1-CG2 3.45Å; H275-I283 WeakPolarHBondContact CE1-CG2 3.17Å; H275-L285 HydrophobicContact CB-CD1 4.01Å; H275-C307 HydrophobicContact CB-CB 4.34Å; H275-C307 PolarHBondContact N-O 2.84Å; H275-C307 PolarHBondContact O-N 2.81Å |
| 276 | H | 90.3 | Very high | 90.4 | Very high | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141 | -175.1 | 170.8 | 87.6 | 0 | 0 | 0 | 111.2 | G278 I283 S284 R305 N306 | H276-G278 WeakPolarHBondContact NE2-CA 3.26Å; H276-G278 PolarHBondContact NE2-N 3.06Å; H276-I283 CarbonylContact O-C 3.59Å; H276-I283 WeakPolarHBondContact O-CA 3.4Å; H276-S284 PolarHBondContact N-O 3.36Å; H276-S284 PolarHBondContact O-N 2.9Å; H276-R305 WeakPolarHBondContact CA-O 3.44Å; H276-N306 PolarHBondContact ND1-OD1 3.45Å |
| 277 | V | 88.9 | Confident | 90.7 | Very high | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 109.7 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | I283 K304 R305 | V277-I283 HydrophobicContact CG2-CG1 4.36Å; V277-K304 HydrophobicContact CB-CB 4.28Å; V277-K304 HydrophobicContact CG1-CB 4.05Å; V277-K304 HydrophobicContact CG1-CD 4.38Å; V277-K304 PolarHBondContact O-N 2.04Å; V277-R305 HydrophobicContact CB-CB 4.19Å; V277-R305 HydrophobicContact CG2-CB 4.21Å; V277-R305 PolarHBondContact N-O 3.25Å; V277-R305 PolarHBondContact O-N 3.48Å |
| 278 | G | 84.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | trans | -77.3 | 176.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | H276 E280 G281 K282 | H276-G278 WeakPolarHBondContact NE2-CA 3.26Å; H276-G278 PolarHBondContact NE2-N 3.06Å; G278-E280 VanDerWaalsContact C-N 3.32Å; G278-E280 PolarHBondContact O-N 2.87Å; G278-G281 WeakPolarHBondContact O-CA 3.34Å; G278-G281 PolarHBondContact O-N 3.17Å; G278-K282 PolarHBondContact N-O 2.93Å | ||
| 279 | A | 79.2 | Confident | 90.9 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -45.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G281 S302 K304 | A279-G281 PolarHBondContact O-N 2.72Å; A279-G281 VanDerWaalsContact O-N 3.15Å; A279-S302 VanDerWaalsContact CA-O 3.23Å; A279-S302 WeakPolarHBondContact CA-O 3.46Å; A279-S302 WeakPolarHBondContact CB-O 3.34Å; A279-S302 PolarHBondContact N-O 3.47Å; A279-K304 WeakPolarHBondContact O-CE 3.37Å; A279-K304 PolarHBondContact O-NZ 2.66Å |
| 280 | E | 81.5 | Confident | 90.9 | Very high | 183 Ų | 183 | 60.3 Ų | 60.3 | 86% | 0.855 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -0.5 | 178.9 | -63.7 | 177.8 | 178.9 | 0 | 0 | 113.6 | G278 K282 | G278-E280 VanDerWaalsContact C-N 3.32Å; G278-E280 PolarHBondContact O-N 2.87Å; E280-K282 VanDerWaalsContact C-N 3.27Å |
| 281 | G | 78.3 | Confident | 90.7 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | 80.7 | 4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | G278 A279 I283 | G278-G281 WeakPolarHBondContact O-CA 3.34Å; G278-G281 PolarHBondContact O-N 3.17Å; A279-G281 PolarHBondContact O-N 2.72Å; A279-G281 VanDerWaalsContact O-N 3.15Å; G281-I283 WeakPolarHBondContact O-CG1 3.34Å; G281-I283 PolarHBondContact O-N 2.76Å | ||
| 282 | K | 85 | Confident | 90.4 | Very high | 162 Ų | 162 | 73.4 Ų | 73.4 | 70% | 0.704 | 37% | 0.371 | S | S | * | . | trans | -58.3 | 123.1 | 171.5 | -176.4 | 179.8 | -178.7 | -179.9 | 0 | 110 | G278 E280 | G278-K282 PolarHBondContact N-O 2.93Å; E280-K282 VanDerWaalsContact C-N 3.27Å | ||
| 283 | I | 88.1 | Confident | 90.3 | Very high | 111 Ų | 111 | 75.8 Ų | 75.8 | 57% | 0.569 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 138.2 | 179.5 | -53.8 | -177.9 | 0 | 0 | 0 | 109.6 | H275 H276 V277 G281 | H275-I283 VanDerWaalsContact CE1-CG2 3.45Å; H275-I283 WeakPolarHBondContact CE1-CG2 3.17Å; H276-I283 CarbonylContact O-C 3.59Å; H276-I283 WeakPolarHBondContact O-CA 3.4Å; V277-I283 HydrophobicContact CG2-CG1 4.36Å; G281-I283 WeakPolarHBondContact O-CG1 3.34Å; G281-I283 PolarHBondContact O-N 2.76Å |
| 284 | S | 89.9 | Confident | 90.1 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.1 | 163.7 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | H276 | H276-S284 PolarHBondContact N-O 3.36Å; H276-S284 PolarHBondContact O-N 2.9Å |
| 285 | L | 92.8 | Very high | 90.1 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 52% | 0.524 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 105.9 | 177.5 | -177.8 | 68.1 | 0 | 0 | 0 | 108.3 | R273 H274 H275 | R273-L285 HydrophobicContact CG-CD1 3.67Å; H274-L285 WeakPolarHBondContact O-CA 3.34Å; H275-L285 HydrophobicContact CB-CD1 4.01Å |
| 286 | N | 93.5 | Very high | 90 | Very high | 76 Ų | 76 | 75.9 Ų | 75.9 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 147.3 | -176.9 | -61.4 | -28.8 | 0 | 0 | 0 | 110.2 | R273 H274 I288 | R273-N286 WeakPolarHBondContact CA-O 3.25Å; H274-N286 HydrophobicContact CB-CB 4.34Å; H274-N286 PolarHBondContact N-O 2.97Å; H274-N286 PolarHBondContact O-N 2.73Å; N286-I288 HydrophobicContact CB-CG1 4.46Å |
| 287 | H | 95.3 | Very high | 90 | Very high | 87 Ų | 87 | 75.4 Ų | 75.4 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.6 | 169.9 | -80.7 | -115.1 | 0 | 0 | 0 | 107.6 | E271 R273 | E271-H287 IonicContact OE1-CE1 3.32Å; E271-H287 PolarHBondContact OE1-CE1 3.02Å; E271-H287 VanDerWaalsContact OE1-CE1 3.32Å; E271-H287 IonicContact OE1-CG 3.88Å; E271-H287 IonicContact OE1-ND1 2.69Å; E271-H287 PolarHBondContact OE1-ND1 3.37Å; R273-H287 PolarHBondContact NE-CE1 2.79Å; R273-H287 PolarHBondContact NE-NE2 2.83Å; R273-H287 PolarHBondContact NH2-CE1 2.93Å |
| 288 | I | 96 | Very high | 89.8 | Confident | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.2 | -170.9 | -58.6 | 171.8 | 0 | 0 | 0 | 108 | E271 V272 H274 N286 L295 L297 | E271-I288 WeakPolarHBondContact CA-O 3.22Å; V272-I288 HydrophobicContact CB-CB 4.44Å; V272-I288 PolarHBondContact N-O 3.11Å; V272-I288 PolarHBondContact O-N 3.11Å; H274-I288 HydrophobicContact CB-CD1 4.4Å; N286-I288 HydrophobicContact CB-CG1 4.46Å; I288-L295 HydrophobicContact CD1-CD2 3.81Å; I288-L295 HydrophobicContact CG2-CD1 4.07Å; I288-L295 HydrophobicContact CG2-CD2 4.38Å; I288-L297 HydrophobicContact CD1-CD2 4.28Å |
| 289 | H | 95.6 | Very high | 89.8 | Confident | 122 Ų | 122 | 80.6 Ų | 80.6 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 139 | 175 | -66.7 | -76.8 | 0 | 0 | 0 | 110.5 | W270 E271 | W270-H289 WeakPolarHBondContact O-CA 3.42Å; E271-H289 IonicContact OE2-CE1 3.81Å |
| 290 | T | 94.4 | Very high | 89.7 | Confident | 31 Ų | 31 | 80.7 Ų | 80.7 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 154.2 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | W256 W270 K292 | W256-T290 HydrophobicContact CH2-CG2 4.08Å; W256-T290 HydrophobicContact CZ2-CG2 4.24Å; W270-T290 HydrophobicContact CB-CG2 3.84Å; W270-T290 WeakPolarHBondContact CB-O 3.4Å; W270-T290 VanDerWaalsContact CD1-O 3.24Å; W270-T290 HydrophobicContact CG-CG2 4.36Å; W270-T290 PolarHBondContact N-O 2.92Å; W270-T290 PolarHBondContact O-N 2.91Å; T290-K292 WeakPolarHBondContact CG2-O 3.36Å; T290-K292 PolarHBondContact OG1-N 2.8Å; T290-K292 VanDerWaalsContact OG1-N 3.11Å; T290-K292 PolarHBondContact OG1-O 3.02Å |
| 291 | E | 91.8 | Very high | 89.2 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -94.1 | -16 | 172.1 | -63 | 171.7 | 169.1 | 0 | 0 | 111.6 | W270 | W270-E291 PolarHBondContact NE1-O 2.89Š|
| 292 | K | 92.3 | Very high | 88.8 | Confident | 147 Ų | 147 | 79 Ų | 79 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -96.9 | 143.8 | -177.4 | -65.3 | 177.8 | -178.6 | 176.6 | 0 | 110.9 | W256 T290 S294 | W256-K292 WeakPolarHBondContact CZ2-O 3.08Å; T290-K292 WeakPolarHBondContact CG2-O 3.36Å; T290-K292 PolarHBondContact OG1-N 2.8Å; T290-K292 VanDerWaalsContact OG1-N 3.11Å; T290-K292 PolarHBondContact OG1-O 3.02Å; K292-S294 PolarHBondContact O-N 2.86Å |
| 293 | P | 93.6 | Very high | 88.4 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -76.8 | 32 | 178.1 | 34.9 | -37.7 | 0 | 0 | 0 | 113.3 | H255 W256 W270 | H255-P293 WeakPolarHBondContact CA-O 3.36Å; W256-P293 VanDerWaalsContact CE2-C 3.49Å; W256-P293 VanDerWaalsContact CE2-CA 3.41Å; W256-P293 VanDerWaalsContact CZ2-C 3.5Å; W256-P293 VanDerWaalsContact CZ2-CA 3.47Å; W256-P293 PolarHBondContact N-O 2.67Å; W270-P293 HydrophobicContact CZ2-CB 4.02Å |
| 294 | S | 93.7 | Very high | 88 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.1 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | F254 K292 | F254-S294 CarbonylContact O-C 3.57Å; F254-S294 VanDerWaalsContact O-CA 3.3Å; F254-S294 WeakPolarHBondContact O-CA 2.88Å; K292-S294 PolarHBondContact O-N 2.86Å |
| 295 | L | 93.6 | Very high | 87.9 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 127.2 | 179.4 | -179 | 70.1 | 0 | 0 | 0 | 109.6 | F254 W256 V272 I288 L297 | F254-L295 PolarHBondContact N-O 2.8Å; F254-L295 PolarHBondContact O-N 2.91Å; W256-L295 HydrophobicContact CZ3-CB 4.47Å; V272-L295 HydrophobicContact CG1-CD2 4.19Å; I288-L295 HydrophobicContact CD1-CD2 3.81Å; I288-L295 HydrophobicContact CG2-CD1 4.07Å; I288-L295 HydrophobicContact CG2-CD2 4.38Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD1 3.95Å; L295-L297 HydrophobicContact CD2-CD2 4.14Å; L295-L297 HydrophobicContact CD2-CG 3.93Å; L295-L297 HydrophobicContact CG-CD2 4.19Å; L295-L297 HydrophobicContact CG-CG 4.02Å |
| 296 | T | 91.6 | Very high | 87.8 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.6 | 168.9 | -44.2 | 0 | 0 | 0 | 0 | 108.7 | E251 | E251-T296 HydrophobicContact CB-CG2 4.25Å; E251-T296 HydrophobicContact CG-CG2 4.47Å |
| 297 | L | 89.3 | Confident | 87.8 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.1 | 177.5 | -70.3 | 179.8 | 0 | 0 | 0 | 111.9 | L252 I288 L295 F299 F308 | L252-L297 PolarHBondContact N-O 3.22Å; L252-L297 PolarHBondContact O-N 3.32Å; I288-L297 HydrophobicContact CD1-CD2 4.28Å; L295-L297 HydrophobicContact CD1-CD2 4.34Å; L295-L297 HydrophobicContact CD2-CD1 3.95Å; L295-L297 HydrophobicContact CD2-CD2 4.14Å; L295-L297 HydrophobicContact CD2-CG 3.93Å; L295-L297 HydrophobicContact CG-CD2 4.19Å; L295-L297 HydrophobicContact CG-CG 4.02Å; L297-F299 PolarHBondContact O-N 2.69Å; L297-F308 HydrophobicContact CD1-CE1 3.63Å; L297-F308 HydrophobicContact CD1-CZ 3.9Å |
| 298 | P | 85.5 | Confident | 87.8 | Confident | 120 Ų | 120 | 63.1 Ų | 63.1 | 78% | 0.779 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 130.2 | 170.6 | 27.8 | -34.5 | 0 | 0 | 0 | 109.7 | ||
| 299 | F | 83.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 63.8 Ų | 63.8 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | trans | -117.2 | 161.5 | -176.1 | -179.9 | -117.7 | 0 | 0 | 0 | 111 | T246 T250 L252 L297 N301 H333 | T246-F299 HydrophobicContact CG2-CD1 3.94Å; T246-F299 HydrophobicContact CG2-CE1 3.86Å; T250-F299 PolarHBondContact O-N 2.91Å; L252-F299 HydrophobicContact CB-CB 3.83Å; L252-F299 HydrophobicContact CB-CD2 4.05Å; L252-F299 HydrophobicContact CB-CG 4.02Å; L252-F299 HydrophobicContact CD2-CD2 4.2Å; L297-F299 PolarHBondContact O-N 2.69Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.43Å; F299-H333 AromaticContact CE2-CD2 3.69Å; F299-H333 AromaticContact CZ-CD2 3.59Å; F299-H333 AromaticContact CZ-NE2 3.53Å | ||
| 300 | S | 78.1 | Confident | 87.8 | Confident | 50 Ų | 50 | 58 Ų | 58 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -150.1 | 130.2 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 108.4 | S302 S303 | S300-S302 PolarHBondContact O-N 2.82Å; S300-S302 PolarHBondContact OG-N 2.82Å; S300-S302 PolarHBondContact OG-OG 2.8Å; S300-S303 VanDerWaalsContact O-CB 3.24Å; S300-S303 WeakPolarHBondContact O-CB 3.42Å; S300-S303 PolarHBondContact O-N 2.81Å; S300-S303 PolarHBondContact O-OG 3.02Å | ||
| 301 | N | 71.3 | Confident | 87.9 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -10.3 | 171.8 | -70.1 | -27.3 | 0 | 0 | 0 | 114 | D249 F299 | D249-N301 PolarHBondContact OD1-ND2 2.87Å; F299-N301 WeakPolarHBondContact CE1-OD1 3.43Å |
| 302 | S | 70.2 | Confident | 88.1 | Confident | 71 Ų | 71 | 52.3 Ų | 52.3 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.2 | 171.6 | 73.1 | 0 | 0 | 0 | 0 | 114.3 | A279 S300 K304 | A279-S302 VanDerWaalsContact CA-O 3.23Å; A279-S302 WeakPolarHBondContact CA-O 3.46Å; A279-S302 WeakPolarHBondContact CB-O 3.34Å; A279-S302 PolarHBondContact N-O 3.47Å; S300-S302 PolarHBondContact O-N 2.82Å; S300-S302 PolarHBondContact OG-N 2.82Å; S300-S302 PolarHBondContact OG-OG 2.8Å; S302-K304 PolarHBondContact O-N 3.43Å |
| 303 | S | 75.3 | Confident | 88.2 | Confident | 18 Ų | 18 | 49 Ų | 49 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | trans | -68.8 | 127.6 | 177.9 | -51 | 0 | 0 | 0 | 0 | 110.4 | S300 N306 | S300-S303 VanDerWaalsContact O-CB 3.24Å; S300-S303 WeakPolarHBondContact O-CB 3.42Å; S300-S303 PolarHBondContact O-N 2.81Å; S300-S303 PolarHBondContact O-OG 3.02Å; S303-N306 WeakPolarHBondContact CB-ND2 3.32Å | ||
| 304 | K | 81.3 | Confident | 88.3 | Confident | 124 Ų | 124 | 47 Ų | 47 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -73.4 | -34.3 | 177.6 | -71.6 | 177 | 172.7 | 159.4 | 0 | 112.6 | V277 A279 S302 | V277-K304 HydrophobicContact CB-CB 4.28Å; V277-K304 HydrophobicContact CG1-CB 4.05Å; V277-K304 HydrophobicContact CG1-CD 4.38Å; V277-K304 PolarHBondContact O-N 2.04Å; A279-K304 WeakPolarHBondContact O-CE 3.37Å; A279-K304 PolarHBondContact O-NZ 2.66Å; S302-K304 PolarHBondContact O-N 3.43Å |
| 305 | R | 87.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 138.9 | 179.7 | -153.4 | 170 | 172.7 | 120.6 | -1.6 | 111.7 | H276 V277 C307 C332 H333 | H276-R305 WeakPolarHBondContact CA-O 3.44Å; V277-R305 HydrophobicContact CB-CB 4.19Å; V277-R305 HydrophobicContact CG2-CB 4.21Å; V277-R305 PolarHBondContact N-O 3.25Å; V277-R305 PolarHBondContact O-N 3.48Å; R305-C307 PolarHBondContact NE-SG 2.84Å; R305-C332 HydrophobicContact CG-CB 4.47Å; R305-C332 PolarHBondContact NH2-SG 3.49Å; R305-C332 VanDerWaalsContact NH2-SG 3.43Å; R305-H333 CarbonylContact C-O 3.58Å |
| 306 | N | 90.9 | Very high | 88.3 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 108.6 | 166.5 | -74.4 | -76.8 | 0 | 0 | 0 | 108.1 | L252 H274 H276 S303 F308 C332 H333 | L252-N306 HydrophobicContact CD2-CB 3.73Å; H274-N306 PolarHBondContact NE2-OD1 3.48Å; H276-N306 PolarHBondContact ND1-OD1 3.45Å; S303-N306 WeakPolarHBondContact CB-ND2 3.32Å; N306-F308 HydrophobicContact CB-CE2 3.92Å; N306-F308 HydrophobicContact CB-CZ 4.34Å; N306-C332 CarbonylContact O-C 3.58Å; N306-C332 VanDerWaalsContact O-CA 3.24Å; N306-C332 WeakPolarHBondContact O-CA 3.37Å; N306-H333 PolarHBondContact N-O 3.31Å; N306-H333 PolarHBondContact O-N 2.92Å |
| 307 | C | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.5 | 178.3 | -65 | 0 | 0 | 0 | 0 | 111.7 | H275 R305 E330 T331 C332 | H275-C307 HydrophobicContact CB-CB 4.34Å; H275-C307 PolarHBondContact N-O 2.84Å; H275-C307 PolarHBondContact O-N 2.81Å; R305-C307 PolarHBondContact NE-SG 2.84Å; C307-E330 HydrophobicContact CB-CG 3.9Å; C307-T331 CarbonylContact C-O 3.59Å; C307-T331 WeakPolarHBondContact CA-O 3.22Å; C307-C332 HydrophobicContact CB-CB 4.16Å; C307-C332 WeakPolarHBondContact CB-SG 3.45Å; C307-C332 WeakPolarHBondContact SG-CB 3.4Å; C307-C332 CovalentContact SG-SG 2.04Å; C307-C332 PolarHBondContact SG-SG 3.48Å |
| 308 | F | 94.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.1 | -176.4 | -61 | -88.6 | 0 | 0 | 0 | 111.1 | L244 L252 F254 V272 R273 H274 L297 N306 E330 T331 | L244-F308 HydrophobicContact CD1-CD2 3.7Å; L244-F308 HydrophobicContact CD1-CE2 3.56Å; L244-F308 HydrophobicContact CD1-CZ 4.4Å; L244-F308 HydrophobicContact CD2-CD2 3.77Å; L244-F308 HydrophobicContact CD2-CE2 4.03Å; L244-F308 HydrophobicContact CG-CD2 4.41Å; L244-F308 HydrophobicContact CG-CE2 4.47Å; L252-F308 HydrophobicContact CD2-CE2 3.81Å; L252-F308 HydrophobicContact CD2-CZ 4.03Å; F254-F308 HydrophobicContact CD1-CB 4.07Å; F254-F308 AromaticContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CD1 3.91Å; F254-F308 HydrophobicContact CD1-CG 4.05Å; F254-F308 HydrophobicContact CD2-CB 4.07Å; F254-F308 HydrophobicContact CD2-CD2 4.42Å; F254-F308 HydrophobicContact CD2-CG 4.16Å; F254-F308 HydrophobicContact CE1-CB 3.77Å; F254-F308 HydrophobicContact CE1-CD1 4.32Å; F254-F308 HydrophobicContact CE1-CG 4.26Å; F254-F308 HydrophobicContact CE2-CB 3.74Å; F254-F308 HydrophobicContact CE2-CG 4.34Å; F254-F308 HydrophobicContact CG-CB 4.22Å; F254-F308 HydrophobicContact CG-CD1 4.16Å; F254-F308 HydrophobicContact CG-CD2 4.47Å; F254-F308 HydrophobicContact CG-CG 4.02Å; F254-F308 HydrophobicContact CZ-CB 3.59Å; F254-F308 HydrophobicContact CZ-CG 4.4Å; V272-F308 HydrophobicContact CG1-CD1 3.9Å; R273-F308 WeakPolarHBondContact O-CA 3.44Å; H274-F308 HydrophobicContact CB-CD1 4.12Å; H274-F308 HydrophobicContact CB-CE1 3.89Å; H274-F308 AromaticContact CD2-CD1 3.97Å; H274-F308 AromaticContact CD2-CE1 3.24Å; H274-F308 WeakPolarHBondContact CD2-CE1 3.33Å; H274-F308 AromaticContact CD2-CZ 3.33Å; H274-F308 WeakPolarHBondContact CD2-CZ 3.4Å; H274-F308 AromaticContact CG-CE1 3.71Å; H274-F308 AromaticContact NE2-CE1 3.98Å; H274-F308 AromaticContact NE2-CZ 3.69Å; L297-F308 HydrophobicContact CD1-CE1 3.63Å; L297-F308 HydrophobicContact CD1-CZ 3.9Å; N306-F308 HydrophobicContact CB-CE2 3.92Å; N306-F308 HydrophobicContact CB-CZ 4.34Å; F308-E330 WeakPolarHBondContact O-CA 3.44Å; F308-T331 PolarHBondContact N-O 3.3Å; F308-T331 PolarHBondContact O-N 2.95Å; F308-T331 VanDerWaalsContact O-N 3.11Å |
| 309 | K | 96.3 | Very high | 88.9 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.1 | 160.2 | -72.5 | -179.6 | 162.1 | 126.9 | 0 | 108.4 | V272 R273 W327 S328 E330 | V272-K309 CarbonylContact C-O 3.36Å; V272-K309 WeakPolarHBondContact CA-O 3.43Å; R273-K309 PolarHBondContact N-O 3.13Å; R273-K309 PolarHBondContact O-N 2.9Å; K309-W327 HydrophobicContact CB-CE3 3.72Å; K309-W327 HydrophobicContact CB-CZ3 4.33Å; K309-W327 HydrophobicContact CD-CB 4.42Å; K309-W327 WeakPolarHBondContact O-CZ3 3.41Å; K309-S328 WeakPolarHBondContact CA-OG 3.49Å; K309-E330 WeakPolarHBondContact CE-OE1 3.44Å; K309-E330 HydrophobicContact CG-CB 4.2Å; K309-E330 HydrophobicContact CG-CG 4.17Å; K309-E330 IonicContact NZ-OE1 2.66Å; K309-E330 PolarHBondContact NZ-OE1 3.3Å |
| 310 | V | 96.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.3 | 176.5 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | P239 L242 F254 W256 W270 E271 V272 S328 | P239-V310 HydrophobicContact CB-CG1 3.92Å; P239-V310 HydrophobicContact CG-CG1 3.88Å; L242-V310 HydrophobicContact CD2-CG1 3.52Å; F254-V310 HydrophobicContact CE1-CB 4.25Å; F254-V310 HydrophobicContact CZ-CB 4.4Å; F254-V310 HydrophobicContact CZ-CG1 4.25Å; W256-V310 HydrophobicContact CD2-CG1 4.32Å; W256-V310 HydrophobicContact CD2-CG2 4.14Å; W256-V310 HydrophobicContact CG-CG1 4.27Å; W256-V310 HydrophobicContact CH2-CG2 4.47Å; W256-V310 HydrophobicContact CZ2-CG2 3.92Å; W270-V310 HydrophobicContact CB-CG2 4.44Å; W270-V310 HydrophobicContact CE3-CG2 3.91Å; E271-V310 WeakPolarHBondContact O-CA 3.48Å; V272-V310 HydrophobicContact CG2-CB 4.31Å; V272-V310 HydrophobicContact CG2-CG2 4.04Å; V310-S328 PolarHBondContact N-OG 2.98Å; V310-S328 WeakPolarHBondContact O-CB 3.08Å; V310-S328 PolarHBondContact O-N 2.84Å; V310-S328 PolarHBondContact O-OG 2.86Å |
| 311 | R | 96.4 | Very high | 90.2 | Very high | 50 Ų | 50 | 58.4 Ų | 58.4 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 157.1 | 165.8 | 62 | 173.3 | -175.7 | 174.6 | -1.7 | 110.1 | W270 E271 W324 S325 W327 | W270-R311 WeakPolarHBondContact CA-O 3.41Å; E271-R311 HydrophobicContact CB-CG 3.95Å; E271-R311 PolarHBondContact N-O 3.01Å; E271-R311 PolarHBondContact O-N 2.84Å; E271-R311 IonicContact OE1-NE 3.92Å; E271-R311 IonicContact OE1-NH2 3.56Å; E271-R311 IonicContact OE2-CZ 2.68Å; E271-R311 IonicContact OE2-NE 2.73Å; E271-R311 PolarHBondContact OE2-NE 2.96Å; E271-R311 IonicContact OE2-NH2 2.74Å; E271-R311 PolarHBondContact OE2-NH2 2.97Å; R311-W324 HydrophobicContact CB-CE3 4.41Å; R311-W324 HydrophobicContact CG-CD2 4.44Å; R311-W324 HydrophobicContact CG-CE3 3.67Å; R311-W324 HydrophobicContact CG-CZ3 4.03Å; R311-S325 WeakPolarHBondContact CA-OG 3.35Å; R311-S325 VanDerWaalsContact CB-OG 3.26Å; R311-S325 WeakPolarHBondContact CB-OG 3.41Å; R311-W327 HydrophobicContact CB-CD2 4.3Å; R311-W327 HydrophobicContact CB-CE3 4.09Å; R311-W327 HydrophobicContact CB-CZ3 4.43Å; R311-W327 HydrophobicContact CG-CD2 4.13Å; R311-W327 HydrophobicContact CG-CE3 3.93Å; R311-W327 HydrophobicContact CG-CH2 3.94Å; R311-W327 HydrophobicContact CG-CZ2 4.1Å; R311-W327 HydrophobicContact CG-CZ3 3.84Å |
| 312 | S | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 162.6 | 177.1 | 33.7 | 0 | 0 | 0 | 0 | 112.3 | V236 E269 W270 S325 | V236-S312 VanDerWaalsContact CG2-OG 3.24Å; V236-S312 WeakPolarHBondContact CG2-OG 3.38Å; E269-S312 VanDerWaalsContact O-CA 3.25Å; E269-S312 WeakPolarHBondContact O-CA 3.4Å; W270-S312 VanDerWaalsContact CZ3-CB 3.46Å; S312-S325 PolarHBondContact N-OG 2.78Å; S312-S325 WeakPolarHBondContact O-CB 3.24Å; S312-S325 PolarHBondContact O-N 3.02Å |
| 313 | R | 94.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 178.3 | 158.2 | 68.9 | 175.5 | 172.7 | 154.6 | 9.1 | 109.3 | L268 E269 S322 W324 | L268-R313 WeakPolarHBondContact CA-O 3.31Å; E269-R313 HydrophobicContact CG-CG 3.64Å; E269-R313 PolarHBondContact N-O 2.91Å; E269-R313 PolarHBondContact O-N 3.36Å; E269-R313 IonicContact OE1-CZ 2.68Å; E269-R313 IonicContact OE1-NE 2.66Å; E269-R313 PolarHBondContact OE1-NE 3.25Å; E269-R313 IonicContact OE1-NH2 3.84Å; E269-R313 PolarHBondContact OE1-NH2 2.89Å; E269-R313 IonicContact OE2-NE 2.76Å; E269-R313 IonicContact OE2-NH2 2.86Å; R313-S322 WeakPolarHBondContact CB-OG 3.1Å; R313-W324 HydrophobicContact CB-CD2 4.18Å; R313-W324 HydrophobicContact CB-CE3 3.91Å; R313-W324 HydrophobicContact CB-CZ3 4.25Å; R313-W324 HydrophobicContact CG-CD2 4.09Å; R313-W324 HydrophobicContact CG-CE3 3.89Å; R313-W324 HydrophobicContact CG-CH2 3.95Å; R313-W324 HydrophobicContact CG-CZ2 4.16Å; R313-W324 HydrophobicContact CG-CZ3 3.83Å; R313-W324 VanDerWaalsContact NE-CZ2 3.25Å |
| 314 | L | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.3 | 169.3 | -63 | -176.9 | 0 | 0 | 0 | 110.9 | V234 L263 C267 L268 V319 S322 | V234-L314 HydrophobicContact CB-CD1 3.82Å; V234-L314 HydrophobicContact CG1-CD1 3.84Å; V234-L314 HydrophobicContact CG1-CG 4.2Å; V234-L314 HydrophobicContact CG2-CD1 4.05Å; L263-L314 HydrophobicContact CD2-CD2 4.01Å; C267-L314 HydrophobicContact CB-CD2 3.92Å; C267-L314 CarbonylContact O-C 3.6Å; C267-L314 VanDerWaalsContact O-CA 3.24Å; C267-L314 WeakPolarHBondContact O-CA 3.46Å; L268-L314 HydrophobicContact CD2-CD2 4.17Å; L314-V319 HydrophobicContact CB-CG2 3.5Å; L314-V319 HydrophobicContact CD1-CG1 3.83Å; L314-V319 HydrophobicContact CD1-CG2 4.05Å; L314-V319 HydrophobicContact CG-CG2 4.44Å; L314-S322 PolarHBondContact N-OG 2.93Å; L314-S322 PolarHBondContact O-OG 2.85Å |
| 315 | N | 94.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | trans | -78 | 164.2 | 179.3 | 69.5 | 34.3 | 0 | 0 | 0 | 112.8 | H266 C267 E269 Y317 C318 V319 | H266-N315 PolarHBondContact O-ND2 3.46Å; C267-N315 PolarHBondContact O-N 2.71Å; C267-N315 PolarHBondContact O-ND2 3.06Å; E269-N315 HydrophobicContact CB-CB 4.06Å; E269-N315 HydrophobicContact CG-CB 3.97Å; E269-N315 WeakPolarHBondContact OE2-CA 3.43Å; N315-Y317 PolarHBondContact O-N 3.07Å; N315-Y317 VanDerWaalsContact O-N 3.13Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.43Å; N315-C318 PolarHBondContact O-N 3.48Å; N315-C318 PolarHBondContact OD1-N 2.89Å; N315-V319 PolarHBondContact O-N 3.11Å | ||
| 316 | S | 94.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -1.1 | -176.6 | 53.8 | 0 | 0 | 0 | 0 | 115.4 | V319 | S316-V319 WeakPolarHBondContact CA-O 3.4Š|
| 317 | Y | 92.8 | Very high | 95 | Very high | 197 Ų | 197 | 53.1 Ų | 53.1 | 77% | 0.773 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23.9 | 173.2 | -61.2 | -67.9 | 0 | 0 | 0 | 112.7 | N315 | N315-Y317 PolarHBondContact O-N 3.07Å; N315-Y317 VanDerWaalsContact O-N 3.13Å; N315-Y317 WeakPolarHBondContact OD1-CB 3.43Å; N315-Y317 PolarHBondContact OD1-N 3.43Å |
| 318 | C | 92.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -29.1 | -179.4 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | C267 N315 | C267-C318 WeakPolarHBondContact CA-SG 3.5Å; C267-C318 HydrophobicContact CB-CB 3.63Å; C267-C318 WeakPolarHBondContact CB-SG 3.42Å; C267-C318 WeakPolarHBondContact SG-CB 3.43Å; C267-C318 CovalentContact SG-SG 2.04Å; C267-C318 PolarHBondContact SG-SG 2.99Å; N315-C318 PolarHBondContact O-N 3.48Å; N315-C318 PolarHBondContact OD1-N 2.89Å |
| 319 | V | 94.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | trans | -147.3 | 152.7 | -179.8 | -60 | 0 | 0 | 0 | 0 | 110.8 | Q231 N232 L314 N315 S316 Q321 | Q231-V319 HydrophobicContact CB-CG1 3.95Å; Q231-V319 HydrophobicContact CG-CG1 3.86Å; Q231-V319 WeakPolarHBondContact O-CG1 3.44Å; N232-V319 WeakPolarHBondContact OD1-CB 3.3Å; L314-V319 HydrophobicContact CB-CG2 3.5Å; L314-V319 HydrophobicContact CD1-CG1 3.83Å; L314-V319 HydrophobicContact CD1-CG2 4.05Å; L314-V319 HydrophobicContact CG-CG2 4.44Å; N315-V319 PolarHBondContact O-N 3.11Å; S316-V319 WeakPolarHBondContact CA-O 3.4Å; V319-Q321 VanDerWaalsContact C-N 3.32Å; V319-Q321 WeakPolarHBondContact CG2-O 3.11Å; V319-Q321 PolarHBondContact O-N 2.84Å | ||
| 320 | D | 94.5 | Very high | 95 | Very high | 124 Ų | 124 | 61.8 Ų | 61.8 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -68.2 | -35.1 | 179.7 | -58.4 | -67.6 | 0 | 0 | 0 | 112.1 | N232 | N232-D320 PolarHBondContact ND2-OD2 2.82Å; N232-D320 PolarHBondContact OD1-N 2.83Å |
| 321 | Q | 93.8 | Very high | 94.8 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | trans | -149.6 | 151.6 | -175.9 | -61 | -173.1 | 9.6 | 0 | 0 | 110.4 | N232 V319 | N232-Q321 CarbonylContact C-O 3.48Å; N232-Q321 WeakPolarHBondContact CA-O 3.49Å; V319-Q321 VanDerWaalsContact C-N 3.32Å; V319-Q321 WeakPolarHBondContact CG2-O 3.11Å; V319-Q321 PolarHBondContact O-N 2.84Å | ||
| 322 | S | 94.9 | Very high | 94.5 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | trans | -154.9 | 158.1 | 174.5 | 67 | 0 | 0 | 0 | 0 | 111.3 | R313 L314 | R313-S322 WeakPolarHBondContact CB-OG 3.1Å; L314-S322 PolarHBondContact N-OG 2.93Å; L314-S322 PolarHBondContact O-OG 2.85Å | ||
| 323 | F | 96.5 | Very high | 94.1 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 136.1 | 174.9 | -60.7 | -71.1 | 0 | 0 | 0 | 110.6 | I142 C143 V144 Q233 V234 K235 S325 | I142-F323 HydrophobicContact CD1-CE1 4.05Å; I142-F323 HydrophobicContact CD1-CZ 3.88Å; I142-F323 HydrophobicContact CG1-CZ 4.15Å; C143-F323 WeakPolarHBondContact O-CE2 3.49Å; V144-F323 HydrophobicContact CG1-CD2 4.22Å; V144-F323 HydrophobicContact CG1-CE2 4.43Å; V144-F323 HydrophobicContact CG2-CE2 4.11Å; V144-F323 HydrophobicContact CG2-CZ 4.49Å; Q233-F323 HydrophobicContact CB-CE2 4.3Å; Q233-F323 WeakPolarHBondContact O-CD2 3.43Å; Q233-F323 VanDerWaalsContact O-CE2 3.31Å; Q233-F323 WeakPolarHBondContact O-CE2 3.42Å; V234-F323 PolarHBondContact O-N 2.92Å; K235-F323 HydrophobicContact CB-CB 3.8Å; K235-F323 HydrophobicContact CB-CD2 4.22Å; K235-F323 HydrophobicContact CB-CG 4.41Å; K235-F323 HydrophobicContact CG-CB 3.89Å; F323-S325 PolarHBondContact O-N 2.82Å |
| 324 | W | 96.9 | Very high | 93.5 | Very high | 58 Ų | 58 | 63.2 Ų | 63.2 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -57 | 135.6 | 162.9 | -76.1 | 109.1 | 0 | 0 | 0 | 110.9 | K235 E271 R311 R313 | K235-W324 WeakPolarHBondContact CE-O 3.01Å; E271-W324 HydrophobicContact CB-CH2 3.72Å; E271-W324 HydrophobicContact CB-CZ2 4.43Å; E271-W324 HydrophobicContact CB-CZ3 3.81Å; R311-W324 HydrophobicContact CB-CE3 4.41Å; R311-W324 HydrophobicContact CG-CD2 4.44Å; R311-W324 HydrophobicContact CG-CE3 3.67Å; R311-W324 HydrophobicContact CG-CZ3 4.03Å; R313-W324 HydrophobicContact CB-CD2 4.18Å; R313-W324 HydrophobicContact CB-CE3 3.91Å; R313-W324 HydrophobicContact CB-CZ3 4.25Å; R313-W324 HydrophobicContact CG-CD2 4.09Å; R313-W324 HydrophobicContact CG-CE3 3.89Å; R313-W324 HydrophobicContact CG-CH2 3.95Å; R313-W324 HydrophobicContact CG-CZ2 4.16Å; R313-W324 HydrophobicContact CG-CZ3 3.83Å; R313-W324 VanDerWaalsContact NE-CZ2 3.25Å |
| 325 | S | 96.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 162.6 | 163.4 | 80 | 0 | 0 | 0 | 0 | 110.2 | V236 R311 S312 F323 | V236-S325 WeakPolarHBondContact O-CA 3.47Å; V236-S325 WeakPolarHBondContact O-CB 3.44Å; R311-S325 WeakPolarHBondContact CA-OG 3.35Å; R311-S325 VanDerWaalsContact CB-OG 3.26Å; R311-S325 WeakPolarHBondContact CB-OG 3.41Å; S312-S325 PolarHBondContact N-OG 2.78Å; S312-S325 WeakPolarHBondContact O-CB 3.24Å; S312-S325 PolarHBondContact O-N 3.02Å; F323-S325 PolarHBondContact O-N 2.82Å |
| 326 | D | 96.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 161.4 | 161.9 | -54.8 | -55.9 | 0 | 0 | 0 | 109.3 | K235 A238 | K235-D326 IonicContact NZ-OD1 2.69Å; K235-D326 PolarHBondContact NZ-OD1 3.44Å; K235-D326 IonicContact NZ-OD2 2.73Å; K235-D326 PolarHBondContact NZ-OD2 3.46Å; A238-D326 WeakPolarHBondContact CB-O 3.34Å |
| 327 | W | 96.7 | Very high | 88.7 | Confident | 63 Ų | 63 | 73 Ų | 73 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 142.3 | 175.4 | -71.2 | 94.4 | 0 | 0 | 0 | 110.2 | E271 R273 K309 R311 | E271-W327 HydrophobicContact CB-CH2 4.44Å; E271-W327 HydrophobicContact CG-CH2 3.89Å; E271-W327 WeakPolarHBondContact O-CZ3 3.24Å; E271-W327 VanDerWaalsContact OE1-CH2 3.31Å; E271-W327 WeakPolarHBondContact OE1-CH2 3.41Å; E271-W327 WeakPolarHBondContact OE1-CZ2 3.33Å; R273-W327 HydrophobicContact CB-CE3 4.41Å; R273-W327 HydrophobicContact CB-CH2 3.73Å; R273-W327 HydrophobicContact CB-CZ3 3.62Å; K309-W327 HydrophobicContact CB-CE3 3.72Å; K309-W327 HydrophobicContact CB-CZ3 4.33Å; K309-W327 HydrophobicContact CD-CB 4.42Å; K309-W327 WeakPolarHBondContact O-CZ3 3.41Å; R311-W327 HydrophobicContact CB-CD2 4.3Å; R311-W327 HydrophobicContact CB-CE3 4.09Å; R311-W327 HydrophobicContact CB-CZ3 4.43Å; R311-W327 HydrophobicContact CG-CD2 4.13Å; R311-W327 HydrophobicContact CG-CE3 3.93Å; R311-W327 HydrophobicContact CG-CH2 3.94Å; R311-W327 HydrophobicContact CG-CZ2 4.1Å; R311-W327 HydrophobicContact CG-CZ3 3.84Å |
| 328 | S | 95.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 68.5 Ų | 68.5 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 169 | 168.8 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | P239 K309 V310 | P239-S328 WeakPolarHBondContact O-CB 3.35Å; K309-S328 WeakPolarHBondContact CA-OG 3.49Å; V310-S328 PolarHBondContact N-OG 2.98Å; V310-S328 WeakPolarHBondContact O-CB 3.08Å; V310-S328 PolarHBondContact O-N 2.84Å; V310-S328 PolarHBondContact O-OG 2.86Å |
| 329 | L | 93.7 | Very high | 84 | Confident | 143 Ų | 143 | 77 Ų | 77 | 75% | 0.749 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 160.9 | 159.8 | -63.4 | 178.9 | 0 | 0 | 0 | 110.7 | L242 | L242-L329 WeakPolarHBondContact CD1-O 3.48Š|
| 330 | E | 93.2 | Very high | 81.4 | Confident | 91 Ų | 91 | 84 Ų | 84 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -87.5 | 129 | 177.3 | -156.1 | 161.2 | -84.1 | 0 | 0 | 110.3 | C307 F308 K309 | C307-E330 HydrophobicContact CB-CG 3.9Å; F308-E330 WeakPolarHBondContact O-CA 3.44Å; K309-E330 WeakPolarHBondContact CE-OE1 3.44Å; K309-E330 HydrophobicContact CG-CB 4.2Å; K309-E330 HydrophobicContact CG-CG 4.17Å; K309-E330 IonicContact NZ-OE1 2.66Å; K309-E330 PolarHBondContact NZ-OE1 3.3Å |
| 331 | T | 92.4 | Very high | 78.6 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 24% | 0.239 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.3 | 170.1 | -54.5 | 0 | 0 | 0 | 0 | 108.5 | L242 L244 C307 F308 | L242-T331 WeakPolarHBondContact CB-OG1 3.34Å; L242-T331 WeakPolarHBondContact CD1-OG1 3.39Å; L244-T331 HydrophobicContact CB-CG2 3.75Å; L244-T331 HydrophobicContact CD2-CG2 3.94Å; C307-T331 CarbonylContact C-O 3.59Å; C307-T331 WeakPolarHBondContact CA-O 3.22Å; F308-T331 PolarHBondContact N-O 3.3Å; F308-T331 PolarHBondContact O-N 2.95Å; F308-T331 VanDerWaalsContact O-N 3.11Å |
| 332 | C | 91.3 | Very high | 76 | Confident | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.074 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.4 | -174.7 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L244 R305 N306 C307 P334 D335 | L244-C332 VanDerWaalsContact CD2-C 3.49Å; R305-C332 HydrophobicContact CG-CB 4.47Å; R305-C332 PolarHBondContact NH2-SG 3.49Å; R305-C332 VanDerWaalsContact NH2-SG 3.43Å; N306-C332 CarbonylContact O-C 3.58Å; N306-C332 VanDerWaalsContact O-CA 3.24Å; N306-C332 WeakPolarHBondContact O-CA 3.37Å; C307-C332 HydrophobicContact CB-CB 4.16Å; C307-C332 WeakPolarHBondContact CB-SG 3.45Å; C307-C332 WeakPolarHBondContact SG-CB 3.4Å; C307-C332 CovalentContact SG-SG 2.04Å; C307-C332 PolarHBondContact SG-SG 3.48Å; C332-P334 CarbonylContact O-C 3.58Å; C332-D335 WeakPolarHBondContact O-CA 3.3Å; C332-D335 PolarHBondContact O-N 2.99Å |
| 333 | H | 87.2 | Confident | 73.5 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 21% | 0.208 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.3 | 169.3 | -172.2 | 94.9 | 0 | 0 | 0 | 110.5 | L244 T246 L252 F299 R305 N306 | L244-H333 HydrophobicContact CD2-CB 3.7Å; L244-H333 HydrophobicContact CG-CB 4.15Å; T246-H333 PolarHBondContact OG1-CE1 3.47Å; L252-H333 HydrophobicContact CD1-CB 4.03Å; L252-H333 HydrophobicContact CD2-CB 4.27Å; F299-H333 AromaticContact CE2-CD2 3.69Å; F299-H333 AromaticContact CZ-CD2 3.59Å; F299-H333 AromaticContact CZ-NE2 3.53Å; R305-H333 CarbonylContact C-O 3.58Å; N306-H333 PolarHBondContact N-O 3.31Å; N306-H333 PolarHBondContact O-N 2.92Å |
| 334 | P | 80.5 | Confident | 70.6 | Confident | 65 Ų | 65 | 86.8 Ų | 86.8 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | S | Bend | cis | -59.5 | 150.5 | -11.8 | 28.8 | -35.9 | 0 | 0 | 0 | 110.7 | C332 V336 | C332-P334 CarbonylContact O-C 3.58Å; P334-V336 PolarHBondContact O-N 3.31Å |
| 335 | D | 71.3 | Confident | 67.9 | Low | 139 Ų | 139 | 93.6 Ų | 93.6 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | trans | -68.9 | 133.1 | 176.5 | -170.1 | 18.3 | 0 | 0 | 0 | 109.4 | C332 | C332-D335 WeakPolarHBondContact O-CA 3.3Å; C332-D335 PolarHBondContact O-N 2.99Å | ||
| 336 | V | 64.7 | Low | 65.4 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | trans | -109.8 | 103 | -178.2 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | P334 S338 | P334-V336 PolarHBondContact O-N 3.31Å; V336-S338 PolarHBondContact O-N 3.27Å | ||
| 337 | D | 46.5 | Very low | 63 | Low | 100 Ų | 100 | 102 Ų | 102 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | trans | -45.8 | 116.3 | 176.9 | -177.6 | 6.6 | 0 | 0 | 0 | 109.5 | R339 | D337-R339 PolarHBondContact O-N 3.48Å; D337-R339 WeakPolarHBondContact OD1-CG 3.34Å; D337-R339 WeakPolarHBondContact OD2-CD 3.49Å | ||
| 338 | S | 45.6 | Very low | 61.1 | Low | 102 Ų | 102 | 104 Ų | 104 | 71% | 0.713 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -65.9 | 1.3 | -164.4 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | V336 E340 | V336-S338 PolarHBondContact O-N 3.27Å; S338-E340 PolarHBondContact O-N 2.99Å |
| 339 | R | 40.7 | Very low | 59.3 | Low | 212 Ų | 212 | 106 Ų | 106 | 80% | 0.8 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -67.3 | -25 | 178.9 | -68.4 | 180 | 174.4 | -176.8 | -4.4 | 114.9 | D337 | D337-R339 PolarHBondContact O-N 3.48Å; D337-R339 WeakPolarHBondContact OD1-CG 3.34Å; D337-R339 WeakPolarHBondContact OD2-CD 3.49Å |
| 340 | E | 40.8 | Very low | 58 | Low | 161 Ų | 161 | 103.3 Ų | 103.3 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -113.6 | 39 | 179.7 | -62.8 | -145.1 | 152.6 | 0 | 0 | 114.9 | S338 T342 | S338-E340 PolarHBondContact O-N 2.99Å; E340-T342 PolarHBondContact O-N 3.47Å |
| 341 | T | 34.5 | Very low | 56.9 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 66% | 0.656 | 55% | 0.551 | S | S | * | * | trans | -75.1 | 83 | 154.1 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | L343 | T341-L343 HydrophobicContact CG2-CB 4.15Å; T341-L343 PolarHBondContact O-N 3.2Å | ||
| 342 | T | 39.6 | Very low | 56.1 | Low | 104 Ų | 104 | 105.2 Ų | 105.2 | 64% | 0.638 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -68.9 | 13.3 | -177 | 45.5 | 0 | 0 | 0 | 0 | 115.1 | E340 G344 | E340-T342 PolarHBondContact O-N 3.47Å; T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3Å |
| 343 | L | 41.9 | Very low | 55.6 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -76.5 | -7.7 | 171.7 | -148.3 | 75.4 | 0 | 0 | 0 | 113.7 | T341 | T341-L343 HydrophobicContact CG2-CB 4.15Å; T341-L343 PolarHBondContact O-N 3.2Å |
| 344 | G | 36.7 | Very low | 55.4 | Low | 50 Ų | 50 | 115.5 Ų | 115.5 | 52% | 0.515 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -86.6 | -11.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T342 | T342-G344 VanDerWaalsContact C-N 3.26Å; T342-G344 PolarHBondContact O-N 3Å |
| 345 | R | 38.8 | Very low | 55.5 | Low | 201 Ų | 201 | 120.5 Ų | 120.5 | 76% | 0.758 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -91.2 | -30.3 | -171.3 | -152.7 | 172.8 | -171.2 | 108.8 | 1.3 | 113.8 | S349 | R345-S349 PolarHBondContact O-N 3.39Å; R345-S349 PolarHBondContact O-OG 3.5Å |
| 346 | E | 43.7 | Very low | 56.2 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 65% | 0.654 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.4 | -49.9 | 179.7 | -69.5 | -65.6 | 101.7 | 0 | 0 | 112.7 | N348 S349 V350 | E346-N348 VanDerWaalsContact C-N 3.3Å; E346-N348 PolarHBondContact O-N 3.1Å; E346-S349 WeakPolarHBondContact O-CB 3.29Å; E346-S349 PolarHBondContact O-N 3.32Å; E346-S349 VanDerWaalsContact O-N 3.16Å; E346-V350 PolarHBondContact O-N 3.38Å |
| 347 | M | 46.3 | Very low | 57.3 | Low | 140 Ų | 140 | 116 Ų | 116 | 69% | 0.69 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -28.4 | -174.8 | -74.2 | 164.9 | 55.7 | 0 | 0 | 113.7 | S351 | M347-S351 PolarHBondContact O-N 3.32Å; M347-S351 PolarHBondContact O-OG 3.37Å; M347-S351 VanDerWaalsContact O-OG 3.1Å |
| 348 | N | 56.9 | Low | 59.4 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -72.8 | -38.6 | 173.9 | -77.8 | -11.7 | 0 | 0 | 0 | 111.9 | E346 V350 S351 I352 | E346-N348 VanDerWaalsContact C-N 3.3Å; E346-N348 PolarHBondContact O-N 3.1Å; N348-V350 PolarHBondContact O-N 3.47Å; N348-S351 PolarHBondContact O-N 3.16Å; N348-I352 WeakPolarHBondContact O-CD1 3.32Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.48Å; N348-I352 PolarHBondContact O-N 3.01Å |
| 349 | S | 58.4 | Low | 61.5 | Low | 47 Ų | 47 | 113.4 Ų | 113.4 | 33% | 0.329 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.8 | -48.4 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | R345 E346 S351 I352 Y353 | R345-S349 PolarHBondContact O-N 3.39Å; R345-S349 PolarHBondContact O-OG 3.5Å; E346-S349 WeakPolarHBondContact O-CB 3.29Å; E346-S349 PolarHBondContact O-N 3.32Å; E346-S349 VanDerWaalsContact O-N 3.16Å; S349-S351 VanDerWaalsContact C-N 3.33Å; S349-S351 PolarHBondContact O-N 3.45Å; S349-I352 PolarHBondContact O-N 3.24Å; S349-Y353 WeakPolarHBondContact O-CD2 3.05Å; S349-Y353 PolarHBondContact O-N 2.83Å |
| 350 | V | 66.7 | Low | 63.9 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 53% | 0.527 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.9 | -43.3 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | E346 N348 I352 Y353 I354 | E346-V350 PolarHBondContact O-N 3.38Å; N348-V350 PolarHBondContact O-N 3.47Å; V350-I352 PolarHBondContact O-N 2.93Å; V350-Y353 PolarHBondContact O-N 2.74Å; V350-I354 HydrophobicContact CG1-CD1 3.92Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.87Å |
| 351 | S | 70 | Confident | 66.3 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -38.8 | 177.8 | -59 | 0 | 0 | 0 | 0 | 112.4 | M347 N348 S349 I354 Y355 | M347-S351 PolarHBondContact O-N 3.32Å; M347-S351 PolarHBondContact O-OG 3.37Å; M347-S351 VanDerWaalsContact O-OG 3.1Å; N348-S351 PolarHBondContact O-N 3.16Å; S349-S351 VanDerWaalsContact C-N 3.33Å; S349-S351 PolarHBondContact O-N 3.45Å; S351-I354 PolarHBondContact O-N 3.31Å; S351-Y355 WeakPolarHBondContact O-CB 3.41Å; S351-Y355 PolarHBondContact O-N 3.3Å |
| 352 | I | 76.4 | Confident | 69 | Low | 97 Ų | 97 | 103.7 Ų | 103.7 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 176.2 | -70.2 | 164.5 | 0 | 0 | 0 | 110.9 | N348 S349 V350 I354 Y355 I356 | N348-I352 WeakPolarHBondContact O-CD1 3.32Å; N348-I352 VanDerWaalsContact O-CG1 3.29Å; N348-I352 WeakPolarHBondContact O-CG1 3.48Å; N348-I352 PolarHBondContact O-N 3.01Å; S349-I352 PolarHBondContact O-N 3.24Å; V350-I352 PolarHBondContact O-N 2.93Å; I352-I354 PolarHBondContact O-N 3.48Å; I352-Y355 PolarHBondContact O-N 2.97Å; I352-I356 HydrophobicContact CG2-CD1 3.7Å; I352-I356 HydrophobicContact CG2-CG1 4.43Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 2.87Å |
| 353 | Y | 80 | Confident | 71.5 | Confident | 167 Ų | 167 | 102.6 Ų | 102.6 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 177 | -71.8 | -59.7 | 0 | 0 | 0 | 112.7 | S349 V350 I356 A357 | S349-Y353 WeakPolarHBondContact O-CD2 3.05Å; S349-Y353 PolarHBondContact O-N 2.83Å; V350-Y353 PolarHBondContact O-N 2.74Å; Y353-I356 PolarHBondContact O-N 3.36Å; Y353-A357 WeakPolarHBondContact O-CB 3.45Å; Y353-A357 PolarHBondContact O-N 3.24Å |
| 354 | I | 82.9 | Confident | 73.9 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 54% | 0.538 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 173.9 | -68.8 | 167.8 | 0 | 0 | 0 | 110.7 | V350 S351 I352 A357 V358 | V350-I354 HydrophobicContact CG1-CD1 3.92Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.87Å; S351-I354 PolarHBondContact O-N 3.31Å; I352-I354 PolarHBondContact O-N 3.48Å; I354-A357 PolarHBondContact O-N 3.35Å; I354-V358 WeakPolarHBondContact O-CG2 3.24Å; I354-V358 PolarHBondContact O-N 2.92Å |
| 355 | Y | 83.3 | Confident | 76.4 | Confident | 169 Ų | 169 | 102.1 Ų | 102.1 | 66% | 0.663 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 178.2 | -172.6 | -94.6 | 0 | 0 | 0 | 112.1 | S351 I352 A357 V358 V359 | S351-Y355 WeakPolarHBondContact O-CB 3.41Å; S351-Y355 PolarHBondContact O-N 3.3Å; I352-Y355 PolarHBondContact O-N 2.97Å; Y355-A357 PolarHBondContact O-N 2.83Å; Y355-V358 PolarHBondContact O-N 3.33Å; Y355-V359 HydrophobicContact CD1-CG2 4.16Å; Y355-V359 HydrophobicContact CE1-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.48Å |
| 356 | I | 86.8 | Confident | 78.8 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.9 | -69.5 | 167.1 | 0 | 0 | 0 | 110.9 | I352 Y353 V358 V359 I360 | I352-I356 HydrophobicContact CG2-CD1 3.7Å; I352-I356 HydrophobicContact CG2-CG1 4.43Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.45Å; I352-I356 PolarHBondContact O-N 2.87Å; Y353-I356 PolarHBondContact O-N 3.36Å; I356-V358 PolarHBondContact O-N 2.91Å; I356-V359 PolarHBondContact O-N 2.87Å; I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 HydrophobicContact CG2-CG1 4.44Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.35Å; I356-I360 PolarHBondContact O-N 3.49Å |
| 357 | A | 87.1 | Confident | 80.9 | Confident | 46 Ų | 46 | 93.3 Ų | 93.3 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y353 I354 Y355 I360 I361 | Y353-A357 WeakPolarHBondContact O-CB 3.45Å; Y353-A357 PolarHBondContact O-N 3.24Å; I354-A357 PolarHBondContact O-N 3.35Å; Y355-A357 PolarHBondContact O-N 2.83Å; A357-I360 PolarHBondContact O-N 3.39Å; A357-I361 WeakPolarHBondContact O-CD1 3.32Å; A357-I361 VanDerWaalsContact O-CG1 3.27Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.28Å |
| 358 | V | 89.3 | Confident | 82.8 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111.4 | I354 Y355 I356 I360 I361 V362 | I354-V358 WeakPolarHBondContact O-CG2 3.24Å; I354-V358 PolarHBondContact O-N 2.92Å; Y355-V358 PolarHBondContact O-N 3.33Å; I356-V358 PolarHBondContact O-N 2.91Å; V358-I360 PolarHBondContact O-N 2.85Å; V358-I361 PolarHBondContact O-N 3.44Å; V358-V362 WeakPolarHBondContact O-CG2 3.46Å; V358-V362 PolarHBondContact O-N 3.49Å |
| 359 | V | 90.9 | Very high | 84.1 | Confident | 66 Ų | 66 | 90.7 Ų | 90.7 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Y355 I356 I361 V362 V363 | Y355-V359 HydrophobicContact CD1-CG2 4.16Å; Y355-V359 HydrophobicContact CE1-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.35Å; Y355-V359 PolarHBondContact O-N 3.48Å; I356-V359 PolarHBondContact O-N 2.87Å; V359-I361 PolarHBondContact O-N 3.31Å; V359-V362 PolarHBondContact O-N 2.86Å; V359-V363 HydrophobicContact CG1-CG2 4.49Å; V359-V363 WeakPolarHBondContact O-CG2 3.36Å; V359-V363 PolarHBondContact O-N 3.3Å |
| 360 | I | 91.2 | Very high | 85.3 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.3 | -69.3 | 167.3 | 0 | 0 | 0 | 111 | I356 A357 V358 V362 V363 L364 | I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 HydrophobicContact CG2-CG1 4.44Å; I356-I360 VanDerWaalsContact O-CG1 3.32Å; I356-I360 WeakPolarHBondContact O-CG1 3.35Å; I356-I360 PolarHBondContact O-N 3.49Å; A357-I360 PolarHBondContact O-N 3.39Å; V358-I360 PolarHBondContact O-N 2.85Å; I360-V362 PolarHBondContact O-N 3.46Å; I360-V363 PolarHBondContact O-N 2.86Å; I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.27Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.34Å; I360-L364 PolarHBondContact O-N 2.88Å |
| 361 | I | 91.4 | Very high | 86 | Confident | 103 Ų | 103 | 96.4 Ų | 96.4 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.3 | -69.6 | 163.4 | 0 | 0 | 0 | 110.9 | A357 V358 V359 V363 L364 V365 | A357-I361 WeakPolarHBondContact O-CD1 3.32Å; A357-I361 VanDerWaalsContact O-CG1 3.27Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.28Å; V358-I361 PolarHBondContact O-N 3.44Å; V359-I361 PolarHBondContact O-N 3.31Å; I361-V363 PolarHBondContact O-N 3.27Å; I361-L364 PolarHBondContact O-N 2.9Å; I361-V365 HydrophobicContact CG2-CG2 4.5Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.35Å |
| 362 | V | 90.8 | Very high | 86.4 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | V358 V359 I360 V365 V366 | V358-V362 WeakPolarHBondContact O-CG2 3.46Å; V358-V362 PolarHBondContact O-N 3.49Å; V359-V362 PolarHBondContact O-N 2.86Å; I360-V362 PolarHBondContact O-N 3.46Å; V362-V365 PolarHBondContact O-N 2.89Å; V362-V366 HydrophobicContact CG1-CG2 4.47Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 3.33Å |
| 363 | V | 92.6 | Very high | 86.4 | Confident | 81 Ų | 81 | 93 Ų | 93 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 176.4 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V359 I360 I361 V366 C367 | V359-V363 HydrophobicContact CG1-CG2 4.49Å; V359-V363 WeakPolarHBondContact O-CG2 3.36Å; V359-V363 PolarHBondContact O-N 3.3Å; I360-V363 PolarHBondContact O-N 2.86Å; I361-V363 PolarHBondContact O-N 3.27Å; V363-V366 PolarHBondContact O-N 2.94Å; V363-C367 WeakPolarHBondContact O-CB 3.27Å; V363-C367 PolarHBondContact O-N 3.35Å; V363-C367 PolarHBondContact O-SG 3.36Å |
| 364 | L | 91 | Very high | 86.1 | Confident | 105 Ų | 105 | 88.6 Ų | 88.6 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.2 | -72.1 | 171.1 | 0 | 0 | 0 | 111.9 | I360 I361 C367 L368 | I360-L364 HydrophobicContact CG2-CD1 3.89Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.27Å; I360-L364 VanDerWaalsContact O-CG 3.31Å; I360-L364 WeakPolarHBondContact O-CG 3.34Å; I360-L364 PolarHBondContact O-N 2.88Å; I361-L364 PolarHBondContact O-N 2.9Å; L364-C367 PolarHBondContact O-N 2.91Å; L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.33Å |
| 365 | V | 90.8 | Very high | 85.4 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | I361 V362 C367 L368 C369 | I361-V365 HydrophobicContact CG2-CG2 4.5Å; I361-V365 WeakPolarHBondContact O-CG2 3.33Å; I361-V365 PolarHBondContact O-N 3.35Å; V362-V365 PolarHBondContact O-N 2.89Å; V365-C367 PolarHBondContact O-N 2.94Å; V365-L368 PolarHBondContact O-N 3.49Å; V365-C369 WeakPolarHBondContact O-CB 3.48Å; V365-C369 PolarHBondContact O-N 3.49Å; V365-C369 PolarHBondContact O-SG 2.96Å |
| 366 | V | 88.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V362 V363 L368 C369 V370 | V362-V366 HydrophobicContact CG1-CG2 4.47Å; V362-V366 WeakPolarHBondContact O-CG2 3.32Å; V362-V366 PolarHBondContact O-N 3.33Å; V363-V366 PolarHBondContact O-N 2.94Å; V366-L368 PolarHBondContact O-N 3.32Å; V366-C369 PolarHBondContact O-N 3.5Å; V366-V370 HydrophobicContact CG1-CG2 4.39Å; V366-V370 WeakPolarHBondContact O-CB 3.39Å; V366-V370 WeakPolarHBondContact O-CG2 3.44Å; V366-V370 PolarHBondContact O-N 3.47Å |
| 367 | C | 86.7 | Confident | 82.7 | Confident | 73 Ų | 73 | 91.9 Ų | 91.9 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 175.5 | -74.8 | 0 | 0 | 0 | 0 | 112.3 | V363 L364 V365 V370 W371 | V363-C367 WeakPolarHBondContact O-CB 3.27Å; V363-C367 PolarHBondContact O-N 3.35Å; V363-C367 PolarHBondContact O-SG 3.36Å; L364-C367 PolarHBondContact O-N 2.91Å; V365-C367 PolarHBondContact O-N 2.94Å; C367-V370 PolarHBondContact O-N 2.95Å; C367-W371 WeakPolarHBondContact O-CB 3Å; C367-W371 PolarHBondContact O-N 3.36Å |
| 368 | L | 86.6 | Confident | 81.1 | Confident | 110 Ų | 110 | 97.8 Ų | 97.8 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -42 | 174.9 | -74.1 | 167.5 | 0 | 0 | 0 | 112.1 | L364 V365 V366 W371 A372 | L364-L368 WeakPolarHBondContact O-CB 3.41Å; L364-L368 VanDerWaalsContact O-CG 3.27Å; L364-L368 WeakPolarHBondContact O-CG 3.36Å; L364-L368 PolarHBondContact O-N 3.33Å; V365-L368 PolarHBondContact O-N 3.49Å; V366-L368 PolarHBondContact O-N 3.32Å; L368-W371 PolarHBondContact O-N 2.96Å; L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.47Å; L368-A372 PolarHBondContact O-N 2.75Å |
| 369 | C | 84.2 | Confident | 79.3 | Confident | 82 Ų | 82 | 98 Ų | 98 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -41 | 175.3 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | V365 V366 A373 | V365-C369 WeakPolarHBondContact O-CB 3.48Å; V365-C369 PolarHBondContact O-N 3.49Å; V365-C369 PolarHBondContact O-SG 2.96Å; V366-C369 PolarHBondContact O-N 3.5Å; C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 2.88Å |
| 370 | V | 84.5 | Confident | 76.9 | Confident | 86 Ų | 86 | 97.3 Ų | 97.3 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | V366 C367 A372 A373 V374 | V366-V370 HydrophobicContact CG1-CG2 4.39Å; V366-V370 WeakPolarHBondContact O-CB 3.39Å; V366-V370 WeakPolarHBondContact O-CG2 3.44Å; V366-V370 PolarHBondContact O-N 3.47Å; C367-V370 PolarHBondContact O-N 2.95Å; V370-A372 PolarHBondContact O-N 3.02Å; V370-A373 PolarHBondContact O-N 3.15Å; V370-V374 HydrophobicContact CG1-CG2 4.44Å; V370-V374 WeakPolarHBondContact O-CB 3.23Å; V370-V374 VanDerWaalsContact O-CG2 3.32Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.29Å |
| 371 | W | 79.6 | Confident | 74.6 | Confident | 168 Ų | 168 | 98.8 Ų | 98.8 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -43.3 | 175.8 | -178.7 | 84.7 | 0 | 0 | 0 | 111.9 | C367 L368 V374 N375 | C367-W371 WeakPolarHBondContact O-CB 3Å; C367-W371 PolarHBondContact O-N 3.36Å; L368-W371 PolarHBondContact O-N 2.96Å; W371-V374 PolarHBondContact O-N 3.4Å; W371-N375 WeakPolarHBondContact CZ2-ND2 3.5Å; W371-N375 WeakPolarHBondContact O-CB 3.44Å; W371-N375 PolarHBondContact O-N 3.49Å |
| 372 | A | 79.5 | Confident | 71.8 | Confident | 45 Ų | 45 | 103 Ų | 103 | 37% | 0.372 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -46.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L368 V370 V374 N375 M376 | L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.47Å; L368-A372 PolarHBondContact O-N 2.75Å; V370-A372 PolarHBondContact O-N 3.02Å; A372-V374 VanDerWaalsContact C-N 3.31Å; A372-V374 PolarHBondContact O-N 3.27Å; A372-N375 PolarHBondContact O-N 3.31Å; A372-M376 WeakPolarHBondContact O-CB 3.48Å; A372-M376 WeakPolarHBondContact O-CG 3.19Å; A372-M376 PolarHBondContact O-N 3.22Å |
| 373 | A | 76.1 | Confident | 69.2 | Low | 55 Ų | 55 | 107.6 Ų | 107.6 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.4 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C369 V370 R377 | C369-A373 WeakPolarHBondContact O-CB 3.32Å; C369-A373 PolarHBondContact O-N 2.88Å; V370-A373 PolarHBondContact O-N 3.15Å; A373-R377 WeakPolarHBondContact O-CB 3.21Å; A373-R377 WeakPolarHBondContact O-CG 3.25Å; A373-R377 PolarHBondContact O-N 2.89Å; A373-R377 VanDerWaalsContact O-N 3.1Å |
| 374 | V | 74.8 | Confident | 66.2 | Low | 74 Ų | 74 | 113.9 Ų | 113.9 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.5 | -40.2 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | V370 W371 A372 R377 K378 | V370-V374 HydrophobicContact CG1-CG2 4.44Å; V370-V374 WeakPolarHBondContact O-CB 3.23Å; V370-V374 VanDerWaalsContact O-CG2 3.32Å; V370-V374 WeakPolarHBondContact O-CG2 3.42Å; V370-V374 PolarHBondContact O-N 3.29Å; W371-V374 PolarHBondContact O-N 3.4Å; A372-V374 VanDerWaalsContact C-N 3.31Å; A372-V374 PolarHBondContact O-N 3.27Å; V374-R377 PolarHBondContact O-N 3.2Å; V374-K378 PolarHBondContact O-N 3.33Å |
| 375 | N | 66.4 | Low | 63.6 | Low | 61 Ų | 61 | 113.8 Ų | 113.8 | 33% | 0.326 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.3 | -39.6 | 175.1 | -82.9 | -15.3 | 0 | 0 | 0 | 112.4 | W371 A372 R377 K378 S379 | W371-N375 WeakPolarHBondContact CZ2-ND2 3.5Å; W371-N375 WeakPolarHBondContact O-CB 3.44Å; W371-N375 PolarHBondContact O-N 3.49Å; A372-N375 PolarHBondContact O-N 3.31Å; N375-R377 PolarHBondContact O-N 3.31Å; N375-K378 WeakPolarHBondContact O-CA 3.31Å; N375-K378 WeakPolarHBondContact O-CB 3.47Å; N375-K378 PolarHBondContact O-N 3.1Å; N375-S379 PolarHBondContact O-N 3.18Å |
| 376 | M | 58.4 | Low | 60.7 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63 | -28.6 | 172.5 | -68.7 | -66.8 | -71.7 | 0 | 0 | 112.1 | A372 K378 S379 | A372-M376 WeakPolarHBondContact O-CB 3.48Å; A372-M376 WeakPolarHBondContact O-CG 3.19Å; A372-M376 PolarHBondContact O-N 3.22Å; M376-K378 VanDerWaalsContact C-N 3.34Å; M376-S379 PolarHBondContact O-OG 2.9Å |
| 377 | R | 55 | Low | 57.9 | Low | 222 Ų | 222 | 118.3 Ų | 118.3 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -13.6 | 168.9 | -82 | -177.6 | 171.3 | -170.4 | -1.4 | 114.6 | A373 V374 N375 | A373-R377 WeakPolarHBondContact O-CB 3.21Å; A373-R377 WeakPolarHBondContact O-CG 3.25Å; A373-R377 PolarHBondContact O-N 2.89Å; A373-R377 VanDerWaalsContact O-N 3.1Å; V374-R377 PolarHBondContact O-N 3.2Å; N375-R377 PolarHBondContact O-N 3.31Å |
| 378 | K | 53.3 | Low | 55.2 | Low | 170 Ų | 170 | 123 Ų | 123 | 74% | 0.739 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -20.4 | 171.4 | -77.1 | -177.8 | 172.4 | -179.6 | 0 | 112.8 | V374 N375 M376 G380 | V374-K378 PolarHBondContact O-N 3.33Å; N375-K378 WeakPolarHBondContact O-CA 3.31Å; N375-K378 WeakPolarHBondContact O-CB 3.47Å; N375-K378 PolarHBondContact O-N 3.1Å; M376-K378 VanDerWaalsContact C-N 3.34Å; K378-G380 PolarHBondContact O-N 3.28Å |
| 379 | S | 51.5 | Low | 52.5 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 59% | 0.587 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -93.5 | 65.5 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | N375 M376 | N375-S379 PolarHBondContact O-N 3.18Å; M376-S379 PolarHBondContact O-OG 2.9Å |
| 380 | G | 41.7 | Very low | 51.2 | Low | 52 Ų | 52 | 126 Ų | 126 | 54% | 0.536 | 67% | 0.669 | S | S | . | * | trans | 90.4 | 168.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K378 | K378-G380 PolarHBondContact O-N 3.28Š| ||
| 381 | P | 41.7 | Very low | 48.5 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 68% | 0.681 | S | S | * | * | cis | -114.2 | 138 | 17.5 | 37.3 | -27.2 | 0 | 0 | 0 | 115.1 | K383 | P381-K383 PolarHBondContact O-N 2.82Š| ||
| 382 | Q | 34.6 | Very low | 46.1 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 89% | 0.893 | 69% | 0.69 | S | S | * | * | trans | -77.6 | 119.1 | 162.3 | -168.5 | 71.3 | -0.5 | 0 | 0 | 108.8 | ||||
| 383 | K | 35.3 | Very low | 43.8 | Very low | 179 Ų | 179 | 134.6 Ų | 134.6 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | -68.2 | 145 | 177 | -63 | 178.4 | -179 | 178 | 0 | 111 | P381 V385 | P381-K383 PolarHBondContact O-N 2.82Å; K383-V385 HydrophobicContact CB-CG2 4.34Å | ||
| 384 | K | 29.6 | Very low | 41.5 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 93% | 0.926 | 72% | 0.717 | S | S | * | * | trans | -127.6 | 149 | 144.2 | -143.8 | 176.3 | -175.2 | -176.5 | 0 | 108.2 | ||||
| 385 | V | 35.4 | Very low | 39.5 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 62% | 0.624 | 73% | 0.729 | S | S | * | * | trans | -126.6 | 156.7 | -160 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | K383 | K383-V385 HydrophobicContact CB-CG2 4.34Š| ||
| 386 | D | 30.7 | Very low | 37.8 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 65.9 | 121.8 | 179.7 | -55.5 | -37.7 | 0 | 0 | 0 | 116.4 | ||||
| 387 | S | 30.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | -167.2 | 155.3 | 77.8 | 38.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 388 | L | 30.7 | Very low | 35.2 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | trans | 57.9 | 102.3 | 151.4 | -64.1 | 166.6 | 0 | 0 | 0 | 120.4 | ||||
| 389 | L | 30.4 | Very low | 34.1 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -94.3 | 168.5 | 144.5 | -87.1 | 156.2 | 0 | 0 | 0 | 109.2 | ||||
| 390 | P | 55.8 | Low | 33.2 | Very low | 95 Ų | 95 | 142 Ų | 142 | 62% | 0.617 | 75% | 0.75 | S | S | * | * | cis | -131.6 | 167.4 | -20.2 | 31.3 | -13 | 0 | 0 | 0 | 113.9 | ||||
| 391 | K | 28.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | 157.3 | 137.3 | 121 | -88.7 | 170.6 | -178.2 | 177.5 | 0 | 116.2 | |||||
| 392 | L | 28.7 | Very low | 32.1 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 72 | 161.6 | 137.6 | -70.1 | 169.7 | 0 | 0 | 0 | 122 | ||||
| 393 | L | 30.4 | Very low | 31.9 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 78.2 | 82.4 | 161.2 | -70.4 | 166.9 | 0 | 0 | 0 | 120.5 | ||||
| 394 | T | 29 | Very low | 31.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 74% | 0.744 | S | S | * | * | 71.2 | 134 | 116.3 | 50.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 395 | N | 32.2 | Very low | 31.7 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 89.6 | 110.6 | 135.3 | -70.6 | 1.8 | 0 | 0 | 0 | 122.1 | ||||
| 396 | N | 30.4 | Very low | 31.5 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | 99.3 | 136 | 121.4 | -77.5 | -19.2 | 0 | 0 | 0 | 121.3 | |||||
| 397 | L | 28.9 | Very low | 31.4 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | 52.9 | 133.5 | 145.4 | -59.8 | 163.9 | 0 | 0 | 0 | 118.4 | ||||
| 398 | S | 29.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -173.4 | -166.9 | -4.2 | 63.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 399 | Q | 31.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | cis | -162.2 | 142.5 | 2.5 | 167.2 | 162.4 | -141.9 | 0 | 0 | 109.8 | ||||
| 400 | R | 31.2 | Very low | 31.7 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | 69.2 | 135.1 | 164.8 | -73.9 | 165.1 | -154.8 | -154.9 | 5.5 | 117 | ||||
| 401 | V | 31.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | 79.7 | 132.8 | 50.5 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 402 | S | 28.9 | Very low | 30.5 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -131.5 | 148 | 25.9 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 403 | K | 30 | Very low | 30.5 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | 52.1 | 123 | 74.1 | -74.6 | 178.4 | 170 | -164.9 | 0 | 112.4 | Y405 | K403-Y405 HydrophobicContact CD-CD2 4.42Å; K403-Y405 HydrophobicContact CD-CE2 3.69Å; K403-Y405 WeakPolarHBondContact CE-OH 3.19Å; K403-Y405 HydrophobicContact CG-CE2 4.38Å; K403-Y405 PolarHBondContact NZ-OH 2.84Å | |||
| 404 | I | 34.2 | Very low | 30.4 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | cis | 58 | 117.2 | 25 | -54.4 | 178.6 | 0 | 0 | 0 | 114.6 | ||||
| 405 | Y | 27.9 | Very low | 30.5 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | -147.6 | 146 | 142.8 | -98.5 | -66.4 | 0 | 0 | 0 | 112.8 | K403 | K403-Y405 HydrophobicContact CD-CD2 4.42Å; K403-Y405 HydrophobicContact CD-CE2 3.69Å; K403-Y405 WeakPolarHBondContact CE-OH 3.19Å; K403-Y405 HydrophobicContact CG-CE2 4.38Å; K403-Y405 PolarHBondContact NZ-OH 2.84Å | ||
| 406 | S | 31.3 | Very low | 30.6 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -111.7 | 149.6 | 160.5 | 176.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 407 | G | 28.9 | Very low | 30.6 | Very low | 73 Ų | 73 | 146.5 Ų | 146.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -125.8 | 127.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 408 | K | 32.3 | Very low | 30.7 | Very low | 211 Ų | 211 | 146 Ų | 146 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -101 | 160.9 | 174.6 | -110.1 | -177.8 | 178 | -179.4 | 0 | 111 | ||||
| 409 | K | 36.1 | Very low | 30.7 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -65.2 | 148.1 | 173.4 | -57.5 | 177.3 | 178.2 | -177.9 | 0 | 112.3 | ||||
| 410 | T | 27.7 | Very low | 30.7 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -150.7 | 154.1 | 139.7 | 20.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 411 | C | 28.2 | Very low | 30.7 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -104.6 | 151.3 | 168.7 | -60.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 412 | T | 30.7 | Very low | 30.6 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | 168 | 120.1 | 123 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 413 | D | 28.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | 48.5 | 163.6 | 128.5 | -46.9 | -39.3 | 0 | 0 | 0 | 124.2 | |||||
| 414 | V | 29.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 83% | 0.834 | S | S | * | * | trans | 88.8 | 94.9 | 162 | -167 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 415 | V | 30.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 77% | 0.77 | 84% | 0.837 | S | S | * | * | 38.1 | 115.2 | 124.1 | -174.5 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 416 | I | 34.5 | Very low | 30.8 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 100% | 1.2 | 85% | 0.845 | S | S | * | * | -134.5 | 0 | 82.1 | -76.7 | 176.2 | 0 | 0 | 0 | 108.3 |
Retrieved 416 of 416 residues in 71.8 ms
(Link to these results)