| 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 | 35.6 | Very low | 29.6 | Very low | 247 Ų | 247 | 170.2 Ų | 170.2 | 100% | 1.217 | 87% | 0.868 | S | S | * | * | 0 | 101 | 0 | -76.9 | -178.9 | 164.1 | 0 | 0 | 108 | |||||
| 2 | P | 35.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 168.3 Ų | 168.3 | 79% | 0.792 | 86% | 0.86 | S | S | * | * | trans | -102.9 | 168.9 | 174.6 | 36.7 | -26.4 | 0 | 0 | 0 | 111.8 | ||||
| 3 | S | 29.1 | Very low | 29.2 | Very low | 106 Ų | 106 | 169.8 Ų | 169.8 | 74% | 0.741 | 86% | 0.861 | S | S | * | * | trans | 108.7 | 125.4 | 159.5 | 78.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 4 | N | 29.7 | Very low | 29.2 | Very low | 145 Ų | 145 | 166.4 Ų | 166.4 | 78% | 0.775 | 84% | 0.844 | S | S | * | * | trans | 91.6 | 69.2 | 152 | -59.5 | -8.6 | 0 | 0 | 0 | 119.3 | ||||
| 5 | Y | 31.2 | Very low | 28.9 | Very low | 240 Ų | 240 | 165.1 Ų | 165.1 | 94% | 0.941 | 84% | 0.839 | S | S | * | * | trans | -133.1 | 76.1 | 139.3 | -84.5 | -82.1 | 0 | 0 | 0 | 109 | ||||
| 6 | L | 26.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 166.6 Ų | 166.6 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -160.7 | 63.3 | 168.4 | -151.9 | 93.4 | 0 | 0 | 0 | 111.1 | ||||
| 7 | L | 26.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 83% | 0.827 | 82% | 0.824 | S | S | * | * | trans | -170.2 | 59.1 | 169.2 | -115.5 | 136.1 | 0 | 0 | 0 | 113.8 | ||||
| 8 | I | 29.8 | Very low | 28.6 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -144.9 | 68 | 161.1 | -52 | 178.9 | 0 | 0 | 0 | 108.1 | ||
| 9 | F | 28.3 | Very low | 28.6 | Very low | 215 Ų | 215 | 163.1 Ų | 163.1 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -158.5 | 36.3 | 165.7 | -104.5 | -70.9 | 0 | 0 | 0 | 111.3 | ||
| 10 | I | 26.5 | Very low | 29 | Very low | 146 Ų | 146 | 162.9 Ų | 162.9 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 91.3 | 173.1 | -57.4 | 174.6 | 0 | 0 | 0 | 106.2 | ||||
| 11 | L | 26.7 | Very low | 29.8 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 169.4 | 48.6 | 158.3 | -94.5 | 153.5 | 0 | 0 | 0 | 111.9 | ||||
| 12 | L | 27.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 154.9 Ų | 154.9 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -143 | 47.1 | 163.2 | -99.9 | 154.2 | 0 | 0 | 0 | 108.7 | I14 | L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 HydrophobicContact CD2-CD1 3.97Å; L12-I14 HydrophobicContact CD2-CG1 4.17Å | ||
| 13 | H | 25.8 | Very low | 32.3 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | trans | -92.5 | 84.9 | 149.9 | -98.3 | 22.8 | 0 | 0 | 0 | 105.6 | L15 | H13-L15 VanDerWaalsContact C-N 3.35Å; H13-L15 PolarHBondContact O-N 2.77Å | ||
| 14 | I | 28.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | trans | -57 | 110.2 | 158.2 | -68.9 | 169.2 | 0 | 0 | 0 | 104.6 | L12 F16 | L12-I14 VanDerWaalsContact C-N 3.33Å; L12-I14 HydrophobicContact CD2-CD1 3.97Å; L12-I14 HydrophobicContact CD2-CG1 4.17Å; I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 PolarHBondContact O-N 3.04Å | ||
| 15 | L | 24.6 | Very low | 36.7 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | -48.2 | 87.6 | 158.4 | -85.4 | 136.9 | 0 | 0 | 0 | 108 | H13 I17 | H13-L15 VanDerWaalsContact C-N 3.35Å; H13-L15 PolarHBondContact O-N 2.77Å; L15-I17 HydrophobicContact CB-CG1 4.3Å; L15-I17 HydrophobicContact CD2-CG1 4.31Å; L15-I17 PolarHBondContact O-N 2.86Å | ||
| 16 | F | 26.1 | Very low | 39.2 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | trans | -65.9 | 85.8 | 146.6 | -91.8 | -87.2 | 0 | 0 | 0 | 105.1 | I14 Q18 | I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 PolarHBondContact O-N 3.04Å; F16-Q18 PolarHBondContact O-N 2.92Å | ||
| 17 | I | 26.6 | Very low | 42.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 59% | 0.59 | 66% | 0.661 | S | S | * | * | trans | -58.6 | 97.5 | 156.1 | -65.4 | 166.2 | 0 | 0 | 0 | 103.4 | L15 Y19 | L15-I17 HydrophobicContact CB-CG1 4.3Å; L15-I17 HydrophobicContact CD2-CG1 4.31Å; L15-I17 PolarHBondContact O-N 2.86Å; I17-Y19 HydrophobicContact CG2-CD2 3.81Å; I17-Y19 HydrophobicContact CG2-CE2 3.98Å; I17-Y19 PolarHBondContact O-N 2.82Å | ||
| 18 | Q | 29 | Very low | 45.1 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 64% | 0.64 | 64% | 0.639 | S | S | * | * | trans | -59.2 | 91 | 163.9 | -132.9 | 170.6 | -7.4 | 0 | 0 | 104.4 | F16 Y20 | F16-Q18 PolarHBondContact O-N 2.92Å; Q18-Y20 HydrophobicContact CB-CD2 4.38Å; Q18-Y20 HydrophobicContact CB-CE2 4.31Å; Q18-Y20 PolarHBondContact O-N 2.79Å | ||
| 19 | Y | 29.2 | Very low | 47.9 | Very low | 181 Ų | 181 | 123 Ų | 123 | 71% | 0.71 | 60% | 0.601 | S | S | * | * | trans | -60.6 | 94 | 162.8 | -96.1 | -93.7 | 0 | 0 | 0 | 104.5 | I17 N21 | I17-Y19 HydrophobicContact CG2-CD2 3.81Å; I17-Y19 HydrophobicContact CG2-CE2 3.98Å; I17-Y19 PolarHBondContact O-N 2.82Å; Y19-N21 PolarHBondContact O-N 3.35Å | ||
| 20 | Y | 37.2 | Very low | 50.2 | Low | 158 Ų | 158 | 115.5 Ų | 115.5 | 62% | 0.62 | 57% | 0.57 | S | S | * | * | trans | -65.3 | 72.3 | 157.6 | -81 | -84.3 | 0 | 0 | 0 | 106.3 | Q18 C22 T137 | Q18-Y20 HydrophobicContact CB-CD2 4.38Å; Q18-Y20 HydrophobicContact CB-CE2 4.31Å; Q18-Y20 PolarHBondContact O-N 2.79Å; Y20-C22 PolarHBondContact O-N 2.82Å; Y20-C22 VanDerWaalsContact O-N 3.17Å; Y20-T137 HydrophobicContact CD1-CG2 4.3Å; Y20-T137 HydrophobicContact CE1-CG2 3.97Å | ||
| 21 | N | 44.2 | Very low | 52.8 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | trans | -60.2 | 118.4 | 160.6 | -82.9 | -13.4 | 0 | 0 | 0 | 105 | Y19 I23 | Y19-N21 PolarHBondContact O-N 3.35Å; N21-I23 PolarHBondContact O-N 3.09Å | ||
| 22 | C | 56.9 | Low | 55.1 | Low | 119 Ų | 119 | 102 Ų | 102 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | trans | -63.1 | 102.5 | 176.9 | -160.1 | 0 | 0 | 0 | 0 | 106.5 | Y20 I24 | Y20-C22 PolarHBondContact O-N 2.82Å; Y20-C22 VanDerWaalsContact O-N 3.17Å; C22-I24 PolarHBondContact O-N 2.96Å; C22-I24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | I | 67.6 | Low | 57.2 | Low | 46 Ų | 46 | 100.4 Ų | 100.4 | 24% | 0.236 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 119.4 | 179.5 | -61.3 | 172.7 | 0 | 0 | 0 | 107.2 | N21 N56 Y136 | N21-I23 PolarHBondContact O-N 3.09Å; I23-N56 HydrophobicContact CG2-CB 3.85Å; I23-Y136 HydrophobicContact CD1-CD1 4.03Å; I23-Y136 HydrophobicContact CD1-CD2 3.25Å; I23-Y136 HydrophobicContact CD1-CE1 4.08Å; I23-Y136 HydrophobicContact CD1-CE2 3.27Å; I23-Y136 HydrophobicContact CD1-CG 3.59Å |
| 24 | I | 74.5 | Confident | 59.4 | Low | 139 Ų | 139 | 96.6 Ų | 96.6 | 71% | 0.713 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -91.9 | 116.6 | 176.7 | -59.7 | 176.7 | 0 | 0 | 0 | 106.5 | C22 | C22-I24 PolarHBondContact O-N 2.96Å; C22-I24 VanDerWaalsContact O-N 3.15Å |
| 25 | H | 77 | Confident | 61.8 | Low | 29 Ų | 29 | 91.6 Ų | 91.6 | 13% | 0.134 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 119.4 | 174.2 | -63.1 | -73.1 | 0 | 0 | 0 | 109.4 | Q40 N58 N157 | H25-Q40 HydrophobicContact CB-CB 3.58Å; H25-N58 WeakPolarHBondContact NE2-CB 3.46Å; H25-N157 PolarHBondContact NE2-ND2 3.31Å |
| 26 | E | 83.1 | Confident | 64.7 | Low | 124 Ų | 124 | 88.1 Ų | 88.1 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | trans | -76.6 | -35.9 | -177.2 | -62.1 | -176.7 | 158 | 0 | 0 | 112 | W41 | E26-W41 PolarHBondContact N-O 3.47Å; E26-W41 VanDerWaalsContact N-O 3.12Å | ||
| 27 | Y | 89.4 | Confident | 67.8 | Low | 21 Ų | 21 | 79.9 Ų | 79.9 | 8% | 0.082 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.4 | -175.3 | -51.7 | -80.2 | 0 | 0 | 0 | 110.3 | Q40 W41 I43 K230 T337 | Y27-Q40 CarbonylContact O-C 3.6Å; Y27-Q40 WeakPolarHBondContact O-CA 3.27Å; Y27-Q40 WeakPolarHBondContact O-CB 3.33Å; Y27-W41 VanDerWaalsContact CB-CD2 3.49Å; Y27-W41 VanDerWaalsContact CB-CZ2 3.4Å; Y27-W41 HydrophobicContact CD1-CZ2 4.24Å; Y27-W41 AromaticContact CD2-CD1 3.79Å; Y27-W41 HydrophobicContact CD2-CD2 4.26Å; Y27-W41 AromaticContact CD2-CE2 3.75Å; Y27-W41 HydrophobicContact CD2-CG 4.28Å; Y27-W41 HydrophobicContact CD2-CZ2 4.26Å; Y27-W41 AromaticContact CD2-NE1 3.45Å; Y27-W41 WeakPolarHBondContact CD2-O 3.26Å; Y27-W41 HydrophobicContact CG-CD2 4.19Å; Y27-W41 AromaticContact CG-CE2 3.63Å; Y27-W41 HydrophobicContact CG-CH2 4.31Å; Y27-W41 AromaticContact CG-CZ2 3.71Å; Y27-W41 HydrophobicContact CG-CZ2 3.71Å; Y27-W41 AromaticContact CG-NE1 3.83Å; Y27-W41 PolarHBondContact N-O 3.49Å; Y27-W41 PolarHBondContact O-N 3.14Å; Y27-I43 HydrophobicContact CE2-CD1 4.11Å; Y27-I43 HydrophobicContact CE2-CG1 4.46Å; Y27-K230 HydrophobicContact CE1-CB 4.31Å; Y27-K230 HydrophobicContact CE1-CG 3.88Å; Y27-T337 HydrophobicContact CD1-CG2 3.89Å; Y27-T337 HydrophobicContact CE1-CG2 3.91Å |
| 28 | T | 88.9 | Confident | 70.9 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 131.3 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | Q40 | T28-Q40 HydrophobicContact CG2-CG 4.14Å; T28-Q40 PolarHBondContact OG1-NE2 3.38Å |
| 29 | L | 87.2 | Confident | 74 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | trans | -77.2 | 126.6 | 174 | -173.3 | 64.6 | 0 | 0 | 0 | 110.3 | L31 L39 I224 L226 M334 | L29-L31 HydrophobicContact CD2-CD1 3.93Å; L29-L31 HydrophobicContact CD2-CD2 3.7Å; L29-L31 HydrophobicContact CD2-CG 3.76Å; L29-L31 HydrophobicContact CG-CD2 3.97Å; L29-L31 HydrophobicContact CG-CG 3.92Å; L29-L31 PolarHBondContact O-N 3.34Å; L29-L39 HydrophobicContact CB-CB 4.05Å; L29-L39 HydrophobicContact CD2-CB 4.26Å; L29-L39 HydrophobicContact CD2-CD2 4.39Å; L29-L39 PolarHBondContact N-O 2.98Å; L29-I224 HydrophobicContact CD1-CG2 4.18Å; L29-I224 HydrophobicContact CD2-CD1 3.48Å; L29-I224 VanDerWaalsContact CD2-CD1 3.48Å; L29-I224 HydrophobicContact CD2-CG1 4.18Å; L29-I224 HydrophobicContact CD2-CG2 3.9Å; L29-L226 HydrophobicContact CD1-CD1 4.37Å; L29-L226 HydrophobicContact CD1-CD2 3.69Å; L29-M334 HydrophobicContact CD1-CB 4.26Å; L29-M334 HydrophobicContact CD1-CE 4Å | ||
| 30 | L | 77.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | trans | -88.5 | 95.9 | 175.5 | -59.1 | 177.5 | 0 | 0 | 0 | 109.7 | Q290 G291 | L30-Q290 HydrophobicContact CB-CB 4.24Å; L30-Q290 HydrophobicContact CB-CG 4.15Å; L30-Q290 HydrophobicContact CD1-CG 4.46Å; L30-G291 PolarHBondContact O-N 3.18Å | ||
| 31 | L | 81.4 | Confident | 79.9 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -96.5 | 168.9 | 174.3 | -68.1 | -178.6 | 0 | 0 | 0 | 111.3 | L29 D35 Y37 L181 K222 Q290 M334 | L29-L31 HydrophobicContact CD2-CD1 3.93Å; L29-L31 HydrophobicContact CD2-CD2 3.7Å; L29-L31 HydrophobicContact CD2-CG 3.76Å; L29-L31 HydrophobicContact CG-CD2 3.97Å; L29-L31 HydrophobicContact CG-CG 3.92Å; L29-L31 PolarHBondContact O-N 3.34Å; L31-D35 HydrophobicContact CB-CB 3.9Å; L31-D35 HydrophobicContact CD1-CB 4.49Å; L31-Y37 WeakPolarHBondContact CD1-O 3.09Å; L31-L181 HydrophobicContact CD1-CD1 4.47Å; L31-K222 HydrophobicContact CD1-CD 4.43Å; L31-K222 HydrophobicContact CD2-CD 4.38Å; L31-Q290 WeakPolarHBondContact O-CB 3.35Å; L31-M334 HydrophobicContact CD2-CE 3.76Å | ||
| 32 | N | 74.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | trans | -72.2 | 155.3 | 179.5 | 78.8 | 43.4 | 0 | 0 | 0 | 110 | N34 D35 Q290 F292 | N32-N34 PolarHBondContact O-N 3.28Å; N32-N34 VanDerWaalsContact OD1-C 3.24Å; N32-N34 WeakPolarHBondContact OD1-CA 3.48Å; N32-N34 WeakPolarHBondContact OD1-CB 3.22Å; N32-N34 PolarHBondContact OD1-N 3.19Å; N32-D35 WeakPolarHBondContact O-CB 3.44Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 PolarHBondContact OD1-N 2.78Å; N32-Q290 WeakPolarHBondContact CA-O 3.49Å; N32-Q290 WeakPolarHBondContact CB-O 3.23Å; N32-F292 HydrophobicContact CB-CD2 4.38Å; N32-F292 HydrophobicContact CB-CE2 4.02Å; N32-F292 HydrophobicContact CB-CZ 4.34Å | ||
| 33 | Q | 71 | Confident | 83.7 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.2 | -177.1 | 31.6 | 177 | -24.7 | 0 | 0 | 114.1 | ||
| 34 | N | 72.2 | Confident | 84.7 | Confident | 108 Ų | 108 | 48.6 Ų | 48.6 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -0.6 | 174.7 | -61.3 | -26.5 | 0 | 0 | 0 | 112.2 | N32 | N32-N34 PolarHBondContact O-N 3.28Å; N32-N34 VanDerWaalsContact OD1-C 3.24Å; N32-N34 WeakPolarHBondContact OD1-CA 3.48Å; N32-N34 WeakPolarHBondContact OD1-CB 3.22Å; N32-N34 PolarHBondContact OD1-N 3.19Å |
| 35 | D | 79.9 | Confident | 84.5 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | trans | -74.4 | 145.2 | -175.1 | -150.3 | -39.7 | 0 | 0 | 0 | 109.9 | L31 N32 Y37 K222 | L31-D35 HydrophobicContact CB-CB 3.9Å; L31-D35 HydrophobicContact CD1-CB 4.49Å; N32-D35 WeakPolarHBondContact O-CB 3.44Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 PolarHBondContact OD1-N 2.78Å; D35-Y37 PolarHBondContact O-N 3.17Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.35Å; D35-Y37 PolarHBondContact OD1-N 3.01Å; D35-K222 WeakPolarHBondContact OD2-CD 3.2Å; D35-K222 WeakPolarHBondContact OD2-CE 3.47Å; D35-K222 IonicContact OD2-NZ 3.26Å; D35-K222 PolarHBondContact OD2-NZ 3.18Å | ||
| 36 | H | 85.2 | Confident | 83.4 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -82.6 | -6.1 | -179.5 | -66.3 | -81.3 | 0 | 0 | 0 | 112.4 | Y61 H62 | H36-Y61 HydrophobicContact CB-CD2 4.05Å; H36-Y61 HydrophobicContact CB-CE2 3.65Å; H36-Y61 CarbonylContact O-C 3.58Å; H36-Y61 VanDerWaalsContact O-CA 3.3Å; H36-Y61 WeakPolarHBondContact O-CA 2.88Å; H36-Y61 WeakPolarHBondContact O-CD2 3.13Å; H36-H62 PolarHBondContact O-N 2.98Å |
| 37 | Y | 91.5 | Very high | 81.8 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.2 | -172 | -50.5 | -80 | 0 | 0 | 0 | 113.2 | L31 D35 C60 Y61 L181 F182 H183 K222 | L31-Y37 WeakPolarHBondContact CD1-O 3.09Å; D35-Y37 PolarHBondContact O-N 3.17Å; D35-Y37 WeakPolarHBondContact OD1-CD2 3.35Å; D35-Y37 PolarHBondContact OD1-N 3.01Å; Y37-C60 VanDerWaalsContact CA-O 3.31Å; Y37-C60 WeakPolarHBondContact CA-O 3.3Å; Y37-Y61 AromaticContact CD1-CD2 3.99Å; Y37-Y61 HydrophobicContact CD1-CD2 3.99Å; Y37-Y61 AromaticContact CE1-CD2 3.72Å; Y37-Y61 HydrophobicContact CE1-CD2 3.72Å; Y37-Y61 HydrophobicContact CE1-CE2 4.32Å; Y37-L181 HydrophobicContact CD1-CB 3.83Å; Y37-L181 HydrophobicContact CD2-CB 3.96Å; Y37-L181 HydrophobicContact CD2-CD1 4.43Å; Y37-L181 HydrophobicContact CE1-CB 4.04Å; Y37-L181 HydrophobicContact CE2-CB 4.18Å; Y37-L181 HydrophobicContact CG-CB 3.77Å; Y37-L181 HydrophobicContact CG-CD1 3.95Å; Y37-L181 HydrophobicContact CG-CG 4.43Å; Y37-F182 WeakPolarHBondContact OH-CA 3.38Å; Y37-H183 HydrophobicContact CE1-CB 4.49Å; Y37-H183 PolarHBondContact OH-N 2.85Å; Y37-H183 PolarHBondContact OH-ND1 3.05Å; Y37-K222 HydrophobicContact CD2-CB 4.13Å; Y37-K222 HydrophobicContact CD2-CD 4.39Å; Y37-K222 HydrophobicContact CE2-CB 3.96Å |
| 38 | K | 91.9 | Very high | 79.5 | Confident | 79 Ų | 79 | 56 Ų | 56 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135.4 | 163.9 | 171.1 | -177.9 | -176.5 | -179.6 | 0 | 108.7 | C60 F153 | K38-C60 HydrophobicContact CB-CB 3.88Å; K38-C60 PolarHBondContact N-O 2.9Å; K38-C60 WeakPolarHBondContact O-CB 3.25Å; K38-C60 PolarHBondContact O-N 2.9Å; K38-F153 HydrophobicContact CB-CD1 4.5Å; K38-F153 HydrophobicContact CB-CE1 4.02Å; K38-F153 HydrophobicContact CB-CZ 4.43Å |
| 39 | L | 94.2 | Very high | 77.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.6 | -179.9 | 179.4 | 65.1 | 0 | 0 | 0 | 109.7 | L29 F57 V59 I79 L179 L181 L226 | L29-L39 HydrophobicContact CB-CB 4.05Å; L29-L39 HydrophobicContact CD2-CB 4.26Å; L29-L39 HydrophobicContact CD2-CD2 4.39Å; L29-L39 PolarHBondContact N-O 2.98Å; L39-F57 HydrophobicContact CD1-CD1 4.26Å; L39-V59 HydrophobicContact CD1-CG2 3.9Å; L39-I79 HydrophobicContact CD1-CD1 3.75Å; L39-I79 HydrophobicContact CD2-CD1 4.26Å; L39-L179 HydrophobicContact CD2-CD1 3.69Å; L39-L179 HydrophobicContact CD2-CD2 4.15Å; L39-L181 HydrophobicContact CB-CD1 4.5Å; L39-L226 HydrophobicContact CD2-CD1 4.03Å |
| 40 | Q | 94.5 | Very high | 75.4 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.4 | 170.2 | -45.1 | -179.5 | -79 | 0 | 0 | 108.7 | H25 Y27 T28 F57 N58 | H25-Q40 HydrophobicContact CB-CB 3.58Å; Y27-Q40 CarbonylContact O-C 3.6Å; Y27-Q40 WeakPolarHBondContact O-CA 3.27Å; Y27-Q40 WeakPolarHBondContact O-CB 3.33Å; T28-Q40 HydrophobicContact CG2-CG 4.14Å; T28-Q40 PolarHBondContact OG1-NE2 3.38Å; Q40-F57 CarbonylContact O-C 3.57Å; Q40-F57 WeakPolarHBondContact O-CA 3.29Å; Q40-N58 HydrophobicContact CB-CB 4.27Å; Q40-N58 PolarHBondContact N-O 3.07Å; Q40-N58 PolarHBondContact O-N 2.93Å; Q40-N58 PolarHBondContact OE1-ND2 3.15Å |
| 41 | W | 94.7 | Very high | 74.7 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 164.1 | 176.4 | 76.7 | 101.1 | 0 | 0 | 0 | 112.5 | E26 Y27 N56 F57 L226 L228 | E26-W41 PolarHBondContact N-O 3.47Å; E26-W41 VanDerWaalsContact N-O 3.12Å; Y27-W41 VanDerWaalsContact CB-CD2 3.49Å; Y27-W41 VanDerWaalsContact CB-CZ2 3.4Å; Y27-W41 HydrophobicContact CD1-CZ2 4.24Å; Y27-W41 AromaticContact CD2-CD1 3.79Å; Y27-W41 HydrophobicContact CD2-CD2 4.26Å; Y27-W41 AromaticContact CD2-CE2 3.75Å; Y27-W41 HydrophobicContact CD2-CG 4.28Å; Y27-W41 HydrophobicContact CD2-CZ2 4.26Å; Y27-W41 AromaticContact CD2-NE1 3.45Å; Y27-W41 WeakPolarHBondContact CD2-O 3.26Å; Y27-W41 HydrophobicContact CG-CD2 4.19Å; Y27-W41 AromaticContact CG-CE2 3.63Å; Y27-W41 HydrophobicContact CG-CH2 4.31Å; Y27-W41 AromaticContact CG-CZ2 3.71Å; Y27-W41 HydrophobicContact CG-CZ2 3.71Å; Y27-W41 AromaticContact CG-NE1 3.83Å; Y27-W41 PolarHBondContact N-O 3.49Å; Y27-W41 PolarHBondContact O-N 3.14Å; W41-N56 CarbonylContact C-O 3.57Å; W41-N56 WeakPolarHBondContact CA-O 3.43Å; W41-N56 VanDerWaalsContact CB-O 3.3Å; W41-N56 WeakPolarHBondContact CB-O 3.41Å; W41-F57 HydrophobicContact CB-CD1 3.66Å; W41-F57 HydrophobicContact CB-CE1 3.89Å; W41-F57 HydrophobicContact CB-CG 4.44Å; W41-F57 HydrophobicContact CG-CE1 4.4Å; W41-L226 HydrophobicContact CH2-CD1 4.35Å; W41-L226 HydrophobicContact CZ3-CD1 4.3Å; W41-L228 HydrophobicContact CD2-CD2 4.11Å; W41-L228 HydrophobicContact CG-CD2 4.36Å; W41-L228 HydrophobicContact CZ2-CD2 4.4Å; W41-L228 PolarHBondContact NE1-O 2.81Å |
| 42 | S | 92.4 | Very high | 74.3 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160.8 | 172.1 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | L55 N56 | S42-L55 WeakPolarHBondContact O-CA 3.49Å; S42-N56 PolarHBondContact N-O 3.33Å; S42-N56 PolarHBondContact O-N 2.9Å |
| 43 | I | 90 | Very high | 74.9 | Confident | 19 Ų | 19 | 77 Ų | 77 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 116.8 | 178.7 | -52.4 | 157.1 | 0 | 0 | 0 | 106.5 | Y27 K53 W54 L55 L228 I229 | Y27-I43 HydrophobicContact CE2-CD1 4.11Å; Y27-I43 HydrophobicContact CE2-CG1 4.46Å; I43-K53 HydrophobicContact CG2-CB 4.23Å; I43-K53 HydrophobicContact CG2-CD 4.09Å; I43-W54 CarbonylContact C-O 3.51Å; I43-W54 WeakPolarHBondContact CA-O 3.25Å; I43-L55 HydrophobicContact CG1-CD2 4.16Å; I43-L228 WeakPolarHBondContact CD1-O 3.19Å; I43-I229 HydrophobicContact CD1-CB 4.48Å; I43-I229 HydrophobicContact CD1-CG2 4.44Å |
| 44 | D | 86.6 | Confident | 75.9 | Confident | 84 Ų | 84 | 74 Ų | 74 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 107.2 | 168.5 | -70.8 | -30.2 | 0 | 0 | 0 | 107.7 | D46 W54 N56 | D44-D46 PolarHBondContact O-N 2.83Å; D44-W54 HydrophobicContact CB-CB 4.22Å; D44-W54 PolarHBondContact N-O 2.86Å; D44-W54 PolarHBondContact O-N 3.47Å; D44-N56 PolarHBondContact OD2-ND2 3.46Å |
| 45 | D | 71.5 | Confident | 76.9 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 98.7 | 166.2 | -81.8 | -19.9 | 0 | 0 | 0 | 107.1 | N47 K53 | D45-N47 PolarHBondContact O-N 3.49Å; D45-K53 WeakPolarHBondContact OD1-CD 3.45Å; D45-K53 WeakPolarHBondContact OD1-CE 3.22Å; D45-K53 VanDerWaalsContact OD1-CG 3.27Å; D45-K53 WeakPolarHBondContact OD1-CG 3.46Å; D45-K53 IonicContact OD1-NZ 3.34Å; D45-K53 PolarHBondContact OD1-NZ 3.46Å; D45-K53 IonicContact OD2-NZ 3.67Å |
| 46 | D | 54.7 | Low | 77.7 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | trans | -68.8 | 105.9 | 175 | -146.3 | -0.8 | 0 | 0 | 0 | 107.6 | D44 N48 | D44-D46 PolarHBondContact O-N 2.83Å; D46-N48 PolarHBondContact O-N 3.29Å | ||
| 47 | N | 48.6 | Very low | 78.3 | Confident | 156 Ų | 156 | 64.6 Ų | 64.6 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | trans | -65.8 | 16.2 | -170.7 | -88 | -44.4 | 0 | 0 | 0 | 115 | D45 | D45-N47 PolarHBondContact O-N 3.49Š| ||
| 48 | N | 41.2 | Very low | 78.5 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -108 | 90.7 | -176.2 | -76.8 | -30.7 | 0 | 0 | 0 | 111.4 | D46 N50 | D46-N48 PolarHBondContact O-N 3.29Å; N48-N50 PolarHBondContact O-N 2.84Å |
| 49 | D | 45.9 | Very low | 78.7 | Confident | 171 Ų | 171 | 60.7 Ų | 60.7 | 91% | 0.914 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 48.2 | -14 | 157.8 | -76.5 | -28.4 | 0 | 0 | 0 | 120.8 | ||
| 50 | N | 44.9 | Very low | 78.7 | Confident | 129 Ų | 129 | 60.9 Ų | 60.9 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -113.7 | 116.9 | 175.9 | -76 | -20 | 0 | 0 | 0 | 107.2 | N48 M52 | N48-N50 PolarHBondContact O-N 2.84Å; N50-M52 PolarHBondContact O-N 3.34Å |
| 51 | K | 61 | Low | 78.5 | Confident | 186 Ų | 186 | 59.1 Ų | 59.1 | 81% | 0.809 | 30% | 0.3 | S | S | * | . | trans | -57.6 | 17 | -177.1 | -67.8 | 177.4 | 170 | -176.9 | 0 | 116.2 | K53 | K51-K53 PolarHBondContact O-N 3.4Š| ||
| 52 | M | 73.2 | Confident | 78 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 32% | 0.315 | 31% | 0.308 | S | S | . | . | trans | -80.1 | 117.4 | -176.4 | -69.9 | -67.3 | -143.5 | 0 | 0 | 110 | N50 M161 | N50-M52 PolarHBondContact O-N 3.34Å; M52-M161 HydrophobicContact CB-CE 3.55Å; M52-M161 HydrophobicContact CE-CE 3.9Å; M52-M161 HydrophobicContact CG-CE 3.7Å; M52-M161 HydrophobicContact SD-CE 3.61Å | ||
| 53 | K | 87.7 | Confident | 77.2 | Confident | 45 Ų | 45 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 141.2 | 176 | -57.5 | -165.4 | 169.6 | -153.2 | 0 | 110.6 | I43 D45 K51 A162 I229 | I43-K53 HydrophobicContact CG2-CB 4.23Å; I43-K53 HydrophobicContact CG2-CD 4.09Å; D45-K53 WeakPolarHBondContact OD1-CD 3.45Å; D45-K53 WeakPolarHBondContact OD1-CE 3.22Å; D45-K53 VanDerWaalsContact OD1-CG 3.27Å; D45-K53 WeakPolarHBondContact OD1-CG 3.46Å; D45-K53 IonicContact OD1-NZ 3.34Å; D45-K53 PolarHBondContact OD1-NZ 3.46Å; D45-K53 IonicContact OD2-NZ 3.67Å; K51-K53 PolarHBondContact O-N 3.4Å; K53-A162 HydrophobicContact CB-CB 3.86Å; K53-A162 VanDerWaalsContact O-CB 3.25Å; K53-A162 WeakPolarHBondContact O-CB 3.49Å; K53-A162 PolarHBondContact O-N 3.34Å; K53-I229 HydrophobicContact CD-CD1 4.19Å; K53-I229 HydrophobicContact CD-CG2 3.89Å |
| 54 | W | 91.8 | Very high | 76.1 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 21% | 0.205 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.5 | 172.5 | -172.4 | -90.5 | 0 | 0 | 0 | 109.8 | I43 D44 N56 Q134 Y136 G159 M161 | I43-W54 CarbonylContact C-O 3.51Å; I43-W54 WeakPolarHBondContact CA-O 3.25Å; D44-W54 HydrophobicContact CB-CB 4.22Å; D44-W54 PolarHBondContact N-O 2.86Å; D44-W54 PolarHBondContact O-N 3.47Å; W54-N56 PolarHBondContact NE1-OD1 3.21Å; W54-N56 VanDerWaalsContact NE1-OD1 3.14Å; W54-Q134 HydrophobicContact CZ2-CB 4.03Å; W54-Y136 PolarHBondContact NE1-OH 2.9Å; W54-G159 WeakPolarHBondContact CZ2-O 3.41Å; W54-M161 HydrophobicContact CE3-CG 3.82Å; W54-M161 HydrophobicContact CE3-SD 3.45Å; W54-M161 HydrophobicContact CZ3-CG 3.64Å; W54-M161 HydrophobicContact CZ3-SD 3.76Å |
| 55 | L | 94.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.8 | 177.9 | -67.3 | 117.4 | 0 | 0 | 0 | 109.9 | S42 I43 F57 G159 R160 A162 I172 L228 I229 | S42-L55 WeakPolarHBondContact O-CA 3.49Å; I43-L55 HydrophobicContact CG1-CD2 4.16Å; L55-F57 HydrophobicContact CB-CD2 4.29Å; L55-F57 HydrophobicContact CB-CE2 3.47Å; L55-F57 VanDerWaalsContact CB-CE2 3.47Å; L55-F57 HydrophobicContact CB-CZ 3.82Å; L55-F57 HydrophobicContact CD2-CZ 4.01Å; L55-F57 HydrophobicContact CG-CE2 4.49Å; L55-F57 HydrophobicContact CG-CZ 4.44Å; L55-G159 CarbonylContact O-C 3.57Å; L55-G159 VanDerWaalsContact O-CA 3.23Å; L55-G159 WeakPolarHBondContact O-CA 3.34Å; L55-R160 PolarHBondContact N-O 3.35Å; L55-R160 PolarHBondContact O-N 3.41Å; L55-A162 VanDerWaalsContact CD1-CA 3.44Å; L55-A162 HydrophobicContact CD1-CB 3.54Å; L55-I172 HydrophobicContact CD1-CB 4.2Å; L55-I172 HydrophobicContact CD1-CD1 4.19Å; L55-I172 HydrophobicContact CD1-CG2 4.26Å; L55-I172 HydrophobicContact CD2-CG2 4.46Å; L55-L228 HydrophobicContact CD2-CB 4.24Å; L55-I229 HydrophobicContact CD1-CD1 4.49Å; L55-I229 HydrophobicContact CD2-CG1 4.18Å |
| 56 | N | 96.1 | Very high | 73.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.6 | 170.1 | -53.1 | -69.5 | 0 | 0 | 0 | 109.8 | I23 W41 S42 D44 W54 Y136 F158 | I23-N56 HydrophobicContact CG2-CB 3.85Å; W41-N56 CarbonylContact C-O 3.57Å; W41-N56 WeakPolarHBondContact CA-O 3.43Å; W41-N56 VanDerWaalsContact CB-O 3.3Å; W41-N56 WeakPolarHBondContact CB-O 3.41Å; S42-N56 PolarHBondContact N-O 3.33Å; S42-N56 PolarHBondContact O-N 2.9Å; D44-N56 PolarHBondContact OD2-ND2 3.46Å; W54-N56 PolarHBondContact NE1-OD1 3.21Å; W54-N56 VanDerWaalsContact NE1-OD1 3.14Å; N56-Y136 HydrophobicContact CB-CE2 4.49Å; N56-Y136 VanDerWaalsContact OD1-CE2 3.22Å; N56-Y136 WeakPolarHBondContact OD1-CE2 3.3Å; N56-Y136 PolarHBondContact OD1-OH 3.42Å; N56-F158 WeakPolarHBondContact CA-O 2.87Å |
| 57 | F | 96.9 | Very high | 73.3 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.5 | -179.2 | -64.2 | -85 | 0 | 0 | 0 | 110.3 | L39 Q40 W41 L55 V59 F81 N157 F158 R160 I172 L228 | L39-F57 HydrophobicContact CD1-CD1 4.26Å; Q40-F57 CarbonylContact O-C 3.57Å; Q40-F57 WeakPolarHBondContact O-CA 3.29Å; W41-F57 HydrophobicContact CB-CD1 3.66Å; W41-F57 HydrophobicContact CB-CE1 3.89Å; W41-F57 HydrophobicContact CB-CG 4.44Å; W41-F57 HydrophobicContact CG-CE1 4.4Å; L55-F57 HydrophobicContact CB-CD2 4.29Å; L55-F57 HydrophobicContact CB-CE2 3.47Å; L55-F57 VanDerWaalsContact CB-CE2 3.47Å; L55-F57 HydrophobicContact CB-CZ 3.82Å; L55-F57 HydrophobicContact CD2-CZ 4.01Å; L55-F57 HydrophobicContact CG-CE2 4.49Å; L55-F57 HydrophobicContact CG-CZ 4.44Å; F57-V59 HydrophobicContact CB-CG2 4.35Å; F57-F81 HydrophobicContact CD1-CZ 4.33Å; F57-F81 HydrophobicContact CD2-CZ 4.41Å; F57-F81 AromaticContact CE1-CE1 3.94Å; F57-F81 HydrophobicContact CE1-CE1 3.94Å; F57-F81 AromaticContact CE1-CZ 3.87Å; F57-F81 HydrophobicContact CE1-CZ 3.87Å; F57-F81 AromaticContact CE2-CZ 3.96Å; F57-F81 HydrophobicContact CE2-CZ 3.96Å; F57-F81 AromaticContact CZ-CE1 3.9Å; F57-F81 HydrophobicContact CZ-CE1 3.9Å; F57-F81 AromaticContact CZ-CZ 3.66Å; F57-F81 HydrophobicContact CZ-CZ 3.66Å; F57-N157 CarbonylContact O-C 3.54Å; F57-N157 WeakPolarHBondContact O-CA 3.15Å; F57-N157 PolarHBondContact O-OD1 2.93Å; F57-F158 HydrophobicContact CB-CD1 3.95Å; F57-F158 HydrophobicContact CB-CE1 3.5Å; F57-F158 HydrophobicContact CB-CZ 3.96Å; F57-F158 HydrophobicContact CD2-CE1 4.21Å; F57-F158 HydrophobicContact CD2-CE2 4.07Å; F57-F158 AromaticContact CD2-CZ 3.76Å; F57-F158 HydrophobicContact CD2-CZ 3.76Å; F57-F158 HydrophobicContact CG-CE1 4.12Å; F57-F158 HydrophobicContact CG-CZ 4.06Å; F57-F158 PolarHBondContact N-O 2.96Å; F57-F158 PolarHBondContact O-N 2.9Å; F57-R160 HydrophobicContact CD2-CG 4.34Å; F57-R160 HydrophobicContact CE2-CG 3.85Å; F57-I172 HydrophobicContact CZ-CD1 4.13Å; F57-L228 HydrophobicContact CE1-CD1 4.19Å; F57-L228 HydrophobicContact CE1-CD2 4.13Å; F57-L228 HydrophobicContact CZ-CD1 4.16Å |
| 58 | N | 96.3 | Very high | 73.4 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.07 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 109.3 | 163.8 | -177.9 | 43.1 | 0 | 0 | 0 | 108.7 | H25 Q40 C155 | H25-N58 WeakPolarHBondContact NE2-CB 3.46Å; Q40-N58 HydrophobicContact CB-CB 4.27Å; Q40-N58 PolarHBondContact N-O 3.07Å; Q40-N58 PolarHBondContact O-N 2.93Å; Q40-N58 PolarHBondContact OE1-ND2 3.15Å; N58-C155 WeakPolarHBondContact OD1-CB 3.43Å |
| 59 | V | 96 | Very high | 74 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | -177.4 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | L39 F57 F77 I79 C155 F156 F158 L181 | L39-V59 HydrophobicContact CD1-CG2 3.9Å; F57-V59 HydrophobicContact CB-CG2 4.35Å; V59-F77 HydrophobicContact CG1-CE2 4.45Å; V59-I79 HydrophobicContact CG1-CB 4.45Å; V59-I79 HydrophobicContact CG2-CB 4.12Å; V59-I79 HydrophobicContact CG2-CD1 4.03Å; V59-I79 HydrophobicContact CG2-CG2 3.96Å; V59-C155 CarbonylContact O-C 3.59Å; V59-C155 WeakPolarHBondContact O-CA 3.29Å; V59-F156 HydrophobicContact CB-CD1 4.12Å; V59-F156 HydrophobicContact CB-CE1 3.64Å; V59-F156 HydrophobicContact CB-CE2 4.26Å; V59-F156 HydrophobicContact CB-CZ 3.71Å; V59-F156 HydrophobicContact CG1-CE1 3.8Å; V59-F156 HydrophobicContact CG1-CZ 4.02Å; V59-F156 HydrophobicContact CG2-CE1 4.44Å; V59-F156 HydrophobicContact CG2-CE2 4.28Å; V59-F156 HydrophobicContact CG2-CZ 4Å; V59-F156 PolarHBondContact N-O 3.12Å; V59-F156 PolarHBondContact O-N 3.42Å; V59-F158 HydrophobicContact CG2-CE1 3.95Å; V59-L181 HydrophobicContact CG1-CD2 3.94Å |
| 60 | C | 93.5 | Very high | 74.7 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.3 | -175.8 | -64.1 | 0 | 0 | 0 | 0 | 111 | Y37 K38 F153 I154 C155 | Y37-C60 VanDerWaalsContact CA-O 3.31Å; Y37-C60 WeakPolarHBondContact CA-O 3.3Å; K38-C60 HydrophobicContact CB-CB 3.88Å; K38-C60 PolarHBondContact N-O 2.9Å; K38-C60 WeakPolarHBondContact O-CB 3.25Å; K38-C60 PolarHBondContact O-N 2.9Å; C60-F153 HydrophobicContact CB-CB 4.13Å; C60-F153 HydrophobicContact CB-CD1 3.78Å; C60-F153 HydrophobicContact CB-CG 4.21Å; C60-I154 CarbonylContact C-O 3.57Å; C60-I154 VanDerWaalsContact CA-O 3.25Å; C60-I154 WeakPolarHBondContact CA-O 3.22Å; C60-C155 HydrophobicContact CB-CB 4.07Å; C60-C155 WeakPolarHBondContact CB-SG 3.36Å; C60-C155 WeakPolarHBondContact SG-CB 3.17Å; C60-C155 CovalentContact SG-SG 2.04Å; C60-C155 PolarHBondContact SG-SG 2.74Å |
| 61 | Y | 90.9 | Very high | 75.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.4 | 171.8 | 176.4 | -105.6 | 0 | 0 | 0 | 110 | H36 Y37 L63 L74 F77 F153 I154 H183 | H36-Y61 HydrophobicContact CB-CD2 4.05Å; H36-Y61 HydrophobicContact CB-CE2 3.65Å; H36-Y61 CarbonylContact O-C 3.58Å; H36-Y61 VanDerWaalsContact O-CA 3.3Å; H36-Y61 WeakPolarHBondContact O-CA 2.88Å; H36-Y61 WeakPolarHBondContact O-CD2 3.13Å; Y37-Y61 AromaticContact CD1-CD2 3.99Å; Y37-Y61 HydrophobicContact CD1-CD2 3.99Å; Y37-Y61 AromaticContact CE1-CD2 3.72Å; Y37-Y61 HydrophobicContact CE1-CD2 3.72Å; Y37-Y61 HydrophobicContact CE1-CE2 4.32Å; Y61-L63 HydrophobicContact CD1-CD2 4.13Å; Y61-L63 HydrophobicContact CE1-CD2 3.95Å; Y61-L74 HydrophobicContact CD1-CD1 4.28Å; Y61-L74 HydrophobicContact CD1-CD2 4.26Å; Y61-L74 HydrophobicContact CE1-CD1 4.09Å; Y61-F77 HydrophobicContact CG-CG 4.46Å; Y61-F153 VanDerWaalsContact O-CA 3.3Å; Y61-F153 WeakPolarHBondContact O-CA 3.31Å; Y61-I154 PolarHBondContact N-O 3.31Å; Y61-I154 PolarHBondContact O-N 3.08Å; Y61-H183 HydrophobicContact CD2-CB 4.31Å; Y61-H183 HydrophobicContact CE2-CB 4.09Å; Y61-H183 AromaticContact CE2-CD2 3.15Å; Y61-H183 WeakPolarHBondContact CE2-CD2 3.43Å; Y61-H183 AromaticContact CE2-CG 3.71Å; Y61-H183 AromaticContact CE2-NE2 3.79Å; Y61-H183 AromaticContact CZ-CD2 3.28Å; Y61-H183 AromaticContact CZ-NE2 3.97Å; Y61-H183 PolarHBondContact OH-CD2 2.87Å; Y61-H183 PolarHBondContact OH-NE2 2.83Å |
| 62 | H | 85 | Confident | 76 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 132.1 | 178.1 | -174.1 | -107.2 | 0 | 0 | 0 | 110.1 | H36 F153 | H36-H62 PolarHBondContact O-N 2.98Å; H62-F153 HydrophobicContact CB-CD1 3.85Å; H62-F153 HydrophobicContact CB-CE1 3.52Å; H62-F153 HydrophobicContact CB-CZ 4.13Å; H62-F153 AromaticContact CD2-CZ 3.96Å |
| 63 | L | 74.9 | Confident | 76.2 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -98.7 | 120.1 | 176.6 | -63 | 152.5 | 0 | 0 | 0 | 107.5 | Y61 I71 P141 Q152 I154 | Y61-L63 HydrophobicContact CD1-CD2 4.13Å; Y61-L63 HydrophobicContact CE1-CD2 3.95Å; L63-I71 HydrophobicContact CB-CG1 4.39Å; L63-I71 HydrophobicContact CD1-CD1 3.38Å; L63-I71 HydrophobicContact CD1-CG1 3.26Å; L63-I71 HydrophobicContact CD2-CB 4.31Å; L63-I71 HydrophobicContact CD2-CD1 4.47Å; L63-I71 HydrophobicContact CD2-CG1 3.38Å; L63-I71 HydrophobicContact CG-CD1 4.41Å; L63-I71 HydrophobicContact CG-CG1 3.8Å; L63-P141 HydrophobicContact CD1-CG 3.68Å; L63-Q152 PolarHBondContact N-O 3.48Å; L63-I154 HydrophobicContact CD1-CD1 3.77Å; L63-I154 HydrophobicContact CD1-CG1 3.68Å; L63-I154 HydrophobicContact CD2-CD1 4.18Å; L63-I154 HydrophobicContact CG-CD1 4.36Å |
| 64 | S | 66.7 | Low | 76 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -60.2 | 143.2 | -179.2 | 74 | 0 | 0 | 0 | 0 | 110 | N66 E70 | S64-N66 PolarHBondContact O-N 2.74Å; S64-E70 VanDerWaalsContact CB-OE2 3.26Å; S64-E70 WeakPolarHBondContact CB-OE2 3.28Å; S64-E70 PolarHBondContact N-OE2 2.92Å; S64-E70 VanDerWaalsContact OG-CD 3.25Å; S64-E70 PolarHBondContact OG-OE1 2.68Å; S64-E70 PolarHBondContact OG-OE2 3.14Å |
| 65 | S | 53.2 | Low | 75.7 | Confident | 122 Ų | 122 | 41.9 Ų | 41.9 | 85% | 0.853 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -11.9 | -172.9 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 66 | N | 50.1 | Low | 75.6 | Confident | 146 Ų | 146 | 42 Ų | 42 | 78% | 0.781 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -16.7 | -166.9 | -118.8 | 2.3 | 0 | 0 | 0 | 115.7 | S64 | S64-N66 PolarHBondContact O-N 2.74Š|
| 67 | E | 50.7 | Low | 75.5 | Confident | 111 Ų | 111 | 42 Ų | 42 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | trans | -149.2 | 124.4 | 174 | -61.2 | -170.8 | 153.2 | 0 | 0 | 113.6 | L69 E70 | E67-L69 HydrophobicContact CB-CB 3.71Å; E67-L69 HydrophobicContact CB-CD1 3.94Å; E67-L69 HydrophobicContact CB-CG 4.44Å; E67-L69 HydrophobicContact CG-CB 4.48Å; E67-L69 HydrophobicContact CG-CD1 4.09Å; E67-L69 PolarHBondContact O-N 2.78Å; E67-L69 WeakPolarHBondContact OE2-CB 3.18Å; E67-E70 PolarHBondContact O-N 2.79Å | ||
| 68 | Q | 50.8 | Low | 75.4 | Confident | 106 Ų | 106 | 42 Ų | 42 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -50.3 | -14.8 | 153.5 | -74 | -177.7 | -20.8 | 0 | 0 | 112.7 | K72 M143 | Q68-K72 WeakPolarHBondContact O-CG 3.23Å; Q68-M143 HydrophobicContact CB-CE 4.21Å; Q68-M143 HydrophobicContact CG-CE 3.9Å; Q68-M143 HydrophobicContact CG-SD 4.35Å |
| 69 | L | 54.9 | Low | 75.5 | Confident | 83 Ų | 83 | 41.3 Ų | 41.3 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69 | -28.3 | 171.3 | -75.3 | 102.7 | 0 | 0 | 0 | 113.4 | E67 K72 N73 | E67-L69 HydrophobicContact CB-CB 3.71Å; E67-L69 HydrophobicContact CB-CD1 3.94Å; E67-L69 HydrophobicContact CB-CG 4.44Å; E67-L69 HydrophobicContact CG-CB 4.48Å; E67-L69 HydrophobicContact CG-CD1 4.09Å; E67-L69 PolarHBondContact O-N 2.78Å; E67-L69 WeakPolarHBondContact OE2-CB 3.18Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 WeakPolarHBondContact O-CA 3.49Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.37Å; L69-K72 VanDerWaalsContact O-N 3.1Å; L69-N73 WeakPolarHBondContact O-CB 3.46Å; L69-N73 PolarHBondContact O-N 2.64Å; L69-N73 PolarHBondContact O-ND2 2.79Å; L69-N73 PolarHBondContact O-OD1 3.4Å |
| 70 | E | 60.9 | Low | 75.6 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.9 | -43.3 | -174.4 | -141.7 | 177.7 | -151.5 | 0 | 0 | 111.2 | S64 E67 K72 N73 L74 | S64-E70 VanDerWaalsContact CB-OE2 3.26Å; S64-E70 WeakPolarHBondContact CB-OE2 3.28Å; S64-E70 PolarHBondContact N-OE2 2.92Å; S64-E70 VanDerWaalsContact OG-CD 3.25Å; S64-E70 PolarHBondContact OG-OE1 2.68Å; S64-E70 PolarHBondContact OG-OE2 3.14Å; E67-E70 PolarHBondContact O-N 2.79Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 2.84Å; E70-N73 CarbonylContact O-C 3.55Å; E70-N73 PolarHBondContact O-N 2.86Å; E70-N73 VanDerWaalsContact O-N 3.11Å; E70-L74 PolarHBondContact O-N 2.99Å |
| 71 | I | 64.6 | Low | 75.7 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.3 | -45.5 | 168.2 | -68.2 | -176.3 | 0 | 0 | 0 | 110.6 | L63 N73 L74 Y108 P141 M143 I154 | L63-I71 HydrophobicContact CB-CG1 4.39Å; L63-I71 HydrophobicContact CD1-CD1 3.38Å; L63-I71 HydrophobicContact CD1-CG1 3.26Å; L63-I71 HydrophobicContact CD2-CB 4.31Å; L63-I71 HydrophobicContact CD2-CD1 4.47Å; L63-I71 HydrophobicContact CD2-CG1 3.38Å; L63-I71 HydrophobicContact CG-CD1 4.41Å; L63-I71 HydrophobicContact CG-CG1 3.8Å; I71-N73 PolarHBondContact O-N 2.79Å; I71-L74 PolarHBondContact O-N 2.84Å; I71-Y108 HydrophobicContact CG2-CD1 4.25Å; I71-Y108 HydrophobicContact CG2-CE1 4.47Å; I71-P141 HydrophobicContact CD1-CG 3.92Å; I71-M143 HydrophobicContact CD1-CE 3.81Å; I71-M143 HydrophobicContact CD1-CG 4.4Å; I71-M143 HydrophobicContact CD1-SD 3.68Å; I71-I154 HydrophobicContact CG1-CD1 4.28Å; I71-I154 HydrophobicContact CG2-CD1 4.46Å |
| 72 | K | 67 | Low | 75.9 | Confident | 82 Ų | 82 | 41.1 Ų | 41.1 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.5 | -40 | -179.5 | -73.1 | 174.7 | 175.7 | 176.4 | 0 | 109.5 | Q68 L69 E70 K102 Y108 | Q68-K72 WeakPolarHBondContact O-CG 3.23Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 WeakPolarHBondContact O-CA 3.49Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.37Å; L69-K72 VanDerWaalsContact O-N 3.1Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 2.84Å; K72-K102 WeakPolarHBondContact O-CE 3.4Å; K72-K102 PolarHBondContact O-NZ 3.48Å; K72-Y108 WeakPolarHBondContact CE-OH 3.5Å; K72-Y108 HydrophobicContact CG-CE1 4Å |
| 73 | N | 78.8 | Confident | 76.1 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -90.7 | -5.9 | -172.2 | -62.7 | -10.9 | 0 | 0 | 0 | 113.1 | L69 E70 I71 K75 I185 Y186 I189 | L69-N73 WeakPolarHBondContact O-CB 3.46Å; L69-N73 PolarHBondContact O-N 2.64Å; L69-N73 PolarHBondContact O-ND2 2.79Å; L69-N73 PolarHBondContact O-OD1 3.4Å; E70-N73 CarbonylContact O-C 3.55Å; E70-N73 PolarHBondContact O-N 2.86Å; E70-N73 VanDerWaalsContact O-N 3.11Å; I71-N73 PolarHBondContact O-N 2.79Å; N73-K75 PolarHBondContact O-N 2.53Å; N73-K75 VanDerWaalsContact O-N 3.16Å; N73-I185 CarbonylContact O-C 3.48Å; N73-I185 VanDerWaalsContact O-CA 3.25Å; N73-I185 WeakPolarHBondContact O-CA 3.39Å; N73-Y186 VanDerWaalsContact O-CD2 3.28Å; N73-Y186 WeakPolarHBondContact O-CD2 3.4Å; N73-Y186 PolarHBondContact O-N 2.85Å; N73-I189 WeakPolarHBondContact OD1-CD1 3.22Å |
| 74 | L | 83.1 | Confident | 76.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 121.5 | 173.4 | -169.5 | 61.8 | 0 | 0 | 0 | 109.7 | Y61 E70 I71 F77 F97 I154 I185 | Y61-L74 HydrophobicContact CD1-CD1 4.28Å; Y61-L74 HydrophobicContact CD1-CD2 4.26Å; Y61-L74 HydrophobicContact CE1-CD1 4.09Å; E70-L74 PolarHBondContact O-N 2.99Å; I71-L74 PolarHBondContact O-N 2.84Å; L74-F77 HydrophobicContact CD2-CD1 3.82Å; L74-F77 HydrophobicContact CD2-CE1 4.28Å; L74-F97 HydrophobicContact CD2-CD2 4.02Å; L74-F97 HydrophobicContact CD2-CE2 3.75Å; L74-F97 HydrophobicContact CD2-CZ 4.34Å; L74-F97 HydrophobicContact CG-CD2 4.03Å; L74-F97 HydrophobicContact CG-CE2 4.24Å; L74-F97 WeakPolarHBondContact O-CB 3.42Å; L74-I154 HydrophobicContact CD2-CD1 4.07Å; L74-I185 HydrophobicContact CD1-CG2 4.42Å |
| 75 | K | 86.1 | Confident | 77.8 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -52 | 176.9 | -179.2 | -178 | 177.7 | -174.2 | 0 | 109.7 | N73 Y96 F97 S184 Y186 S210 | N73-K75 PolarHBondContact O-N 2.53Å; N73-K75 VanDerWaalsContact O-N 3.16Å; K75-Y96 HydrophobicContact CG-CD2 4.45Å; K75-Y96 HydrophobicContact CG-CE2 4.08Å; K75-Y96 WeakPolarHBondContact O-CD2 3.15Å; K75-F97 PolarHBondContact O-N 3.47Å; K75-S184 WeakPolarHBondContact CA-O 3.41Å; K75-S184 VanDerWaalsContact CB-O 3.32Å; K75-S184 WeakPolarHBondContact CB-O 3.36Å; K75-S184 PolarHBondContact N-O 3.16Å; K75-Y186 HydrophobicContact CB-CD1 4.41Å; K75-Y186 HydrophobicContact CB-CD2 3.82Å; K75-Y186 HydrophobicContact CB-CE1 4.22Å; K75-Y186 HydrophobicContact CB-CE2 3.59Å; K75-Y186 HydrophobicContact CB-CG 4.24Å; K75-Y186 HydrophobicContact CD-CD1 4.26Å; K75-Y186 HydrophobicContact CD-CE1 3.82Å; K75-Y186 HydrophobicContact CG-CD1 4.38Å; K75-Y186 HydrophobicContact CG-CD2 4.4Å; K75-Y186 HydrophobicContact CG-CE1 3.79Å; K75-Y186 HydrophobicContact CG-CE2 3.8Å; K75-Y186 VanDerWaalsContact CG-CZ 3.46Å; K75-S210 PolarHBondContact NZ-O 2.92Å; K75-S210 VanDerWaalsContact NZ-O 3.16Å |
| 76 | F | 90.4 | Very high | 79.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 161.1 | 171.2 | 55.8 | -101.1 | 0 | 0 | 0 | 111.2 | L94 L95 Y96 F182 H183 S184 L211 L214 I219 | F76-L94 HydrophobicContact CB-CD1 3.93Å; F76-L94 HydrophobicContact CG-CD1 4.43Å; F76-L95 WeakPolarHBondContact CA-O 3.23Å; F76-L95 WeakPolarHBondContact CB-O 3.46Å; F76-Y96 HydrophobicContact CB-CD2 4.39Å; F76-F182 AromaticContact CD2-CD2 3.95Å; F76-F182 HydrophobicContact CD2-CD2 3.95Å; F76-F182 AromaticContact CD2-CE2 3.91Å; F76-F182 HydrophobicContact CD2-CE2 3.91Å; F76-F182 AromaticContact CE2-CD2 3.85Å; F76-F182 HydrophobicContact CE2-CD2 3.85Å; F76-F182 HydrophobicContact CE2-CE2 4.07Å; F76-H183 CarbonylContact O-C 3.53Å; F76-H183 VanDerWaalsContact O-CA 3.26Å; F76-H183 WeakPolarHBondContact O-CA 3.39Å; F76-S184 PolarHBondContact N-O 3.35Å; F76-S184 PolarHBondContact O-N 2.97Å; F76-L211 HydrophobicContact CD1-CD2 3.39Å; F76-L211 HydrophobicContact CE1-CD2 3.55Å; F76-L211 HydrophobicContact CG-CD2 4.44Å; F76-L214 HydrophobicContact CE1-CD1 3.85Å; F76-L214 HydrophobicContact CZ-CD1 4.17Å; F76-I219 HydrophobicContact CE2-CD1 4.19Å; F76-I219 HydrophobicContact CE2-CG2 4.2Å; F76-I219 HydrophobicContact CZ-CD1 3.65Å; F76-I219 HydrophobicContact CZ-CG1 4.41Å; F76-I219 HydrophobicContact CZ-CG2 4.43Å |
| 77 | F | 94.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.4 | 160.7 | 76.8 | -76.1 | 0 | 0 | 0 | 109.8 | V59 Y61 L74 L94 L95 F97 I154 F156 F182 H183 | V59-F77 HydrophobicContact CG1-CE2 4.45Å; Y61-F77 HydrophobicContact CG-CG 4.46Å; L74-F77 HydrophobicContact CD2-CD1 3.82Å; L74-F77 HydrophobicContact CD2-CE1 4.28Å; F77-L94 WeakPolarHBondContact O-CA 3.19Å; F77-L94 WeakPolarHBondContact O-CB 3.49Å; F77-L95 HydrophobicContact CD1-CB 4.34Å; F77-L95 HydrophobicContact CE1-CB 4.01Å; F77-L95 HydrophobicContact CE1-CD1 3.95Å; F77-L95 HydrophobicContact CE1-CG 4.46Å; F77-L95 HydrophobicContact CZ-CD1 4.09Å; F77-L95 PolarHBondContact N-O 2.83Å; F77-L95 VanDerWaalsContact N-O 3.12Å; F77-L95 PolarHBondContact O-N 3.49Å; F77-F97 AromaticContact CD1-CE2 3.82Å; F77-F97 HydrophobicContact CD1-CE2 3.82Å; F77-F97 HydrophobicContact CD1-CZ 4.47Å; F77-F97 AromaticContact CE1-CE2 3.78Å; F77-F97 HydrophobicContact CE1-CE2 3.78Å; F77-F97 AromaticContact CE1-CZ 3.98Å; F77-F97 HydrophobicContact CE1-CZ 3.98Å; F77-I154 HydrophobicContact CE1-CB 4.36Å; F77-I154 HydrophobicContact CE1-CG2 3.84Å; F77-I154 HydrophobicContact CZ-CB 4.28Å; F77-I154 HydrophobicContact CZ-CG2 3.84Å; F77-F156 HydrophobicContact CD2-CD1 4.37Å; F77-F156 AromaticContact CD2-CE1 3.91Å; F77-F156 HydrophobicContact CD2-CE1 3.91Å; F77-F156 HydrophobicContact CE1-CD1 4.42Å; F77-F156 AromaticContact CE2-CD1 3.5Å; F77-F156 HydrophobicContact CE2-CD1 3.5Å; F77-F156 VanDerWaalsContact CE2-CD1 3.5Å; F77-F156 AromaticContact CE2-CE1 3.45Å; F77-F156 HydrophobicContact CE2-CE1 3.45Å; F77-F156 VanDerWaalsContact CE2-CE1 3.45Å; F77-F156 AromaticContact CZ-CD1 3.53Å; F77-F156 HydrophobicContact CZ-CD1 3.53Å; F77-F156 AromaticContact CZ-CE1 3.92Å; F77-F156 HydrophobicContact CZ-CE1 3.92Å; F77-F182 CarbonylContact C-O 3.53Å; F77-F182 WeakPolarHBondContact CA-O 3.49Å; F77-F182 WeakPolarHBondContact CB-O 3.36Å; F77-H183 HydrophobicContact CB-CB 3.82Å |
| 78 | G | 96 | Very high | 83.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | -170.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y93 F182 | G78-Y93 CarbonylContact C-O 3.53Å; G78-Y93 WeakPolarHBondContact CA-O 3.43Å; G78-F182 VanDerWaalsContact C-CE1 3.48Å; G78-F182 PolarHBondContact N-O 3.24Å; G78-F182 PolarHBondContact O-N 2.84Å |
| 79 | I | 97.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.6 | 180 | -171.4 | 164.4 | 0 | 0 | 0 | 109.2 | L39 V59 F81 M92 Y93 F156 F158 L179 F180 L181 F182 | L39-I79 HydrophobicContact CD1-CD1 3.75Å; L39-I79 HydrophobicContact CD2-CD1 4.26Å; V59-I79 HydrophobicContact CG1-CB 4.45Å; V59-I79 HydrophobicContact CG2-CB 4.12Å; V59-I79 HydrophobicContact CG2-CD1 4.03Å; V59-I79 HydrophobicContact CG2-CG2 3.96Å; I79-F81 HydrophobicContact CD1-CE1 3.88Å; I79-F81 HydrophobicContact CD1-CZ 3.7Å; I79-F81 HydrophobicContact CG1-CE1 4.14Å; I79-F81 HydrophobicContact CG1-CE2 4.33Å; I79-F81 HydrophobicContact CG1-CZ 3.91Å; I79-F81 HydrophobicContact CG2-CE2 4.17Å; I79-F81 HydrophobicContact CG2-CZ 4.24Å; I79-M92 WeakPolarHBondContact O-CA 3.37Å; I79-Y93 HydrophobicContact CG2-CD2 4.45Å; I79-Y93 PolarHBondContact N-O 3.46Å; I79-Y93 PolarHBondContact O-N 3.43Å; I79-F156 HydrophobicContact CG2-CZ 4.48Å; I79-F158 HydrophobicContact CG2-CE1 3.9Å; I79-F158 HydrophobicContact CG2-CZ 3.79Å; I79-L179 HydrophobicContact CD1-CD1 3.61Å; I79-L179 HydrophobicContact CD1-CD2 3.98Å; I79-L179 HydrophobicContact CD1-CG 3.91Å; I79-L179 HydrophobicContact CG1-CD1 4.16Å; I79-L179 HydrophobicContact CG1-CD2 4.02Å; I79-L179 HydrophobicContact CG1-CG 3.92Å; I79-F180 CarbonylContact C-O 3.51Å; I79-F180 VanDerWaalsContact CA-O 3.29Å; I79-F180 WeakPolarHBondContact CA-O 3.49Å; I79-L181 HydrophobicContact CB-CD2 3.99Å; I79-L181 HydrophobicContact CD1-CD2 3.92Å; I79-L181 HydrophobicContact CG1-CD2 3.86Å; I79-F182 VanDerWaalsContact C-CE1 3.46Å |
| 80 | G | 97.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D91 L179 F180 | G80-D91 CarbonylContact C-O 3.59Å; G80-D91 WeakPolarHBondContact CA-O 3.05Å; G80-L179 CarbonylContact O-C 3.57Å; G80-L179 WeakPolarHBondContact O-CA 3.27Å; G80-F180 PolarHBondContact N-O 3.13Å; G80-F180 PolarHBondContact O-N 3.43Å |
| 81 | F | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.4 | 178.6 | -51.7 | -83 | 0 | 0 | 0 | 109.8 | F57 I79 L90 D91 Y93 F158 Y170 I172 T177 L179 L228 | F57-F81 HydrophobicContact CD1-CZ 4.33Å; F57-F81 HydrophobicContact CD2-CZ 4.41Å; F57-F81 AromaticContact CE1-CE1 3.94Å; F57-F81 HydrophobicContact CE1-CE1 3.94Å; F57-F81 AromaticContact CE1-CZ 3.87Å; F57-F81 HydrophobicContact CE1-CZ 3.87Å; F57-F81 AromaticContact CE2-CZ 3.96Å; F57-F81 HydrophobicContact CE2-CZ 3.96Å; F57-F81 AromaticContact CZ-CE1 3.9Å; F57-F81 HydrophobicContact CZ-CE1 3.9Å; F57-F81 AromaticContact CZ-CZ 3.66Å; F57-F81 HydrophobicContact CZ-CZ 3.66Å; I79-F81 HydrophobicContact CD1-CE1 3.88Å; I79-F81 HydrophobicContact CD1-CZ 3.7Å; I79-F81 HydrophobicContact CG1-CE1 4.14Å; I79-F81 HydrophobicContact CG1-CE2 4.33Å; I79-F81 HydrophobicContact CG1-CZ 3.91Å; I79-F81 HydrophobicContact CG2-CE2 4.17Å; I79-F81 HydrophobicContact CG2-CZ 4.24Å; F81-L90 CarbonylContact O-C 3.5Å; F81-L90 WeakPolarHBondContact O-CA 3.36Å; F81-D91 PolarHBondContact N-O 3.48Å; F81-D91 PolarHBondContact O-N 3.3Å; F81-Y93 HydrophobicContact CD2-CD2 4.12Å; F81-Y93 AromaticContact CD2-CE2 3.92Å; F81-Y93 HydrophobicContact CD2-CE2 3.92Å; F81-Y93 AromaticContact CE2-CD2 3.7Å; F81-Y93 HydrophobicContact CE2-CD2 3.7Å; F81-Y93 AromaticContact CE2-CE2 3.74Å; F81-Y93 HydrophobicContact CE2-CE2 3.74Å; F81-F158 HydrophobicContact CE2-CZ 4.46Å; F81-Y170 HydrophobicContact CB-CD1 3.6Å; F81-Y170 HydrophobicContact CB-CE1 4.13Å; F81-Y170 HydrophobicContact CB-CG 4.18Å; F81-I172 HydrophobicContact CD1-CD1 4.08Å; F81-I172 HydrophobicContact CD2-CD1 4.5Å; F81-I172 HydrophobicContact CE1-CD1 4.16Å; F81-I172 HydrophobicContact CG-CD1 4.24Å; F81-I172 HydrophobicContact CZ-CD1 4.41Å; F81-T177 HydrophobicContact CB-CG2 4.23Å; F81-T177 HydrophobicContact CD1-CG2 3.88Å; F81-L179 HydrophobicContact CD1-CD1 4.06Å; F81-L179 HydrophobicContact CD1-CG 4.35Å; F81-L179 HydrophobicContact CE1-CD1 3.68Å; F81-L179 HydrophobicContact CE1-CG 4.32Å; F81-L228 HydrophobicContact CD1-CD1 3.9Å; F81-L228 HydrophobicContact CE1-CD1 3.71Å |
| 82 | G | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y170 H178 | G82-Y170 VanDerWaalsContact C-CE2 3.45Å; G82-Y170 WeakPolarHBondContact O-CE2 3.32Å; G82-Y170 PolarHBondContact O-OH 2.72Å; G82-H178 PolarHBondContact N-O 2.74Å; G82-H178 WeakPolarHBondContact O-CB 3.28Å; G82-H178 PolarHBondContact O-N 2.85Å; G82-H178 VanDerWaalsContact O-N 3.16Å |
| 83 | K | 89.8 | Confident | 92.5 | Very high | 71 Ų | 71 | 24.1 Ų | 24.1 | 31% | 0.309 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -99.6 | -19.6 | -176.7 | -62 | 178.7 | 179.5 | -178.9 | 0 | 113.5 | Y170 Y470 | K83-Y170 HydrophobicContact CG-CD2 4.03Å; K83-Y170 HydrophobicContact CG-CE2 3.62Å; K83-Y470 HydrophobicContact CB-CD1 3.62Å; K83-Y470 HydrophobicContact CB-CE1 3.59Å; K83-Y470 HydrophobicContact CB-CG 4.4Å; K83-Y470 HydrophobicContact CD-CE1 3.61Å; K83-Y470 VanDerWaalsContact CE-OH 3.32Å; K83-Y470 WeakPolarHBondContact CE-OH 3.49Å; K83-Y470 HydrophobicContact CG-CD1 3.91Å; K83-Y470 HydrophobicContact CG-CE1 3.39Å; K83-Y470 HydrophobicContact CG-CE2 4.32Å |
| 84 | Y | 88.9 | Confident | 93.2 | Very high | 117 Ų | 117 | 22.5 Ų | 22.5 | 46% | 0.459 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -124.6 | 158.3 | -164.5 | -52.8 | -68.9 | 0 | 0 | 0 | 111.2 | E86 I88 H178 F180 | Y84-E86 PolarHBondContact O-N 2.74Å; Y84-E86 VanDerWaalsContact O-N 3.14Å; Y84-I88 HydrophobicContact CD2-CD1 3.91Å; Y84-I88 HydrophobicContact CD2-CG1 3.78Å; Y84-I88 HydrophobicContact CE2-CD1 4.42Å; Y84-I88 HydrophobicContact CG-CD1 4.37Å; Y84-I88 HydrophobicContact CG-CG1 4.4Å; Y84-H178 WeakPolarHBondContact O-CB 3.45Å; Y84-H178 PolarHBondContact O-ND1 3.16Å; Y84-F180 WeakPolarHBondContact O-CZ 3.49Å |
| 85 | D | 89.2 | Confident | 93.7 | Very high | 64 Ų | 64 | 22.4 Ų | 22.4 | 34% | 0.342 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -69.3 | -5.6 | 176.3 | -82.2 | -44.7 | 0 | 0 | 0 | 113.9 | H178 K223 | D85-H178 PolarHBondContact N-ND1 2.77Å; D85-H178 IonicContact OD1-CE1 3.18Å; D85-H178 PolarHBondContact OD1-CE1 3.03Å; D85-H178 VanDerWaalsContact OD1-CE1 3.29Å; D85-H178 IonicContact OD1-ND1 2.72Å; D85-H178 PolarHBondContact OD1-ND1 3.48Å; D85-K223 HydrophobicContact CB-CD 4.31Å; D85-K223 WeakPolarHBondContact O-CD 3.32Å; D85-K223 IonicContact OD1-NZ 2.9Å; D85-K223 PolarHBondContact OD1-NZ 2.56Å |
| 86 | E | 91.7 | Very high | 93.8 | Very high | 88 Ų | 88 | 21 Ų | 21 | 41% | 0.411 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -111.7 | 149.1 | 178.3 | -70.5 | -73.1 | 150.8 | 0 | 0 | 110.1 | Y84 I88 K217 | Y84-E86 PolarHBondContact O-N 2.74Å; Y84-E86 VanDerWaalsContact O-N 3.14Å; E86-I88 HydrophobicContact CB-CG1 4.32Å; E86-I88 PolarHBondContact O-N 2.95Å; E86-K217 WeakPolarHBondContact OE2-CE 3.39Å; E86-K217 IonicContact OE2-NZ 2.8Å; E86-K217 PolarHBondContact OE2-NZ 3.43Å |
| 87 | P | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -77.9 | 47.7 | -175.9 | 34.2 | -38.1 | 0 | 0 | 0 | 113.9 | L90 T119 S123 F180 M216 K217 Y221 | P87-L90 HydrophobicContact CB-CD1 3.71Å; P87-L90 HydrophobicContact CB-CG 4.48Å; P87-T119 PolarHBondContact O-OG1 2.89Å; P87-S123 PolarHBondContact O-OG 2.59Å; P87-F180 HydrophobicContact CB-CD1 4.01Å; P87-F180 HydrophobicContact CB-CE1 3.97Å; P87-F180 HydrophobicContact CB-CZ 4.46Å; P87-M216 HydrophobicContact CB-CB 4.4Å; P87-M216 HydrophobicContact CB-CG 3.91Å; P87-M216 HydrophobicContact CG-CG 4.49Å; P87-K217 HydrophobicContact CG-CB 4.48Å; P87-K217 HydrophobicContact CG-CG 3.65Å; P87-Y221 HydrophobicContact CG-CD1 4.38Å; P87-Y221 HydrophobicContact CG-CE1 3.84Å |
| 88 | I | 94.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 22.4 Ų | 22.4 | 16% | 0.159 | 10% | 0.104 | C | C | . | . | trans | -105 | 150.4 | 176.5 | 62 | 174.1 | 0 | 0 | 0 | 110.4 | Y84 E86 L90 | Y84-I88 HydrophobicContact CD2-CD1 3.91Å; Y84-I88 HydrophobicContact CD2-CG1 3.78Å; Y84-I88 HydrophobicContact CE2-CD1 4.42Å; Y84-I88 HydrophobicContact CG-CD1 4.37Å; Y84-I88 HydrophobicContact CG-CG1 4.4Å; E86-I88 HydrophobicContact CB-CG1 4.32Å; E86-I88 PolarHBondContact O-N 2.95Å; I88-L90 PolarHBondContact O-N 2.99Å; I88-L90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | N | 94.2 | Very high | 91.6 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 30% | 0.299 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 51.6 | 37.5 | 178.3 | -61 | -40.1 | 0 | 0 | 0 | 113.1 | T119 D120 E121 | N89-T119 WeakPolarHBondContact CA-O 3.28Å; N89-T119 PolarHBondContact N-O 2.96Å; N89-T119 PolarHBondContact N-OG1 3.46Å; N89-D120 PolarHBondContact N-O 2.7Å; N89-D120 VanDerWaalsContact N-O 3.16Å; N89-D120 VanDerWaalsContact OD1-C 3.26Å; N89-E121 PolarHBondContact OD1-N 2.88Å; N89-E121 VanDerWaalsContact OD1-N 3.15Å |
| 90 | L | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -83.3 | 143.4 | 179.9 | -60 | -174.9 | 0 | 0 | 0 | 110.6 | F81 P87 I88 M92 Y118 T119 F180 | F81-L90 CarbonylContact O-C 3.5Å; F81-L90 WeakPolarHBondContact O-CA 3.36Å; P87-L90 HydrophobicContact CB-CD1 3.71Å; P87-L90 HydrophobicContact CB-CG 4.48Å; I88-L90 PolarHBondContact O-N 2.99Å; I88-L90 VanDerWaalsContact O-N 3.16Å; L90-M92 HydrophobicContact CB-CG 3.73Å; L90-M92 HydrophobicContact CB-SD 4.2Å; L90-Y118 CarbonylContact O-C 3.44Å; L90-Y118 WeakPolarHBondContact O-CA 3.16Å; L90-Y118 WeakPolarHBondContact O-CB 3.47Å; L90-T119 WeakPolarHBondContact CB-OG1 3.38Å; L90-T119 WeakPolarHBondContact CG-OG1 3.05Å; L90-T119 PolarHBondContact N-OG1 3.27Å; L90-T119 PolarHBondContact O-N 3.07Å; L90-F180 HydrophobicContact CD1-CB 4.15Å; L90-F180 HydrophobicContact CD1-CD2 3.83Å; L90-F180 HydrophobicContact CD1-CE2 4.44Å; L90-F180 HydrophobicContact CD1-CG 3.97Å; L90-F180 HydrophobicContact CD2-CD2 3.53Å; L90-F180 HydrophobicContact CD2-CE2 3.57Å; L90-F180 HydrophobicContact CD2-CG 4.47Å; L90-F180 HydrophobicContact CG-CD2 4.34Å | ||
| 91 | D | 95.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.4 | 164.2 | -166.9 | 25.9 | 0 | 0 | 0 | 108.8 | G80 F81 R128 R160 Y170 | G80-D91 CarbonylContact C-O 3.59Å; G80-D91 WeakPolarHBondContact CA-O 3.05Å; F81-D91 PolarHBondContact N-O 3.48Å; F81-D91 PolarHBondContact O-N 3.3Å; D91-R128 IonicContact OD1-CZ 3.63Å; D91-R128 IonicContact OD1-NE 3.54Å; D91-R128 IonicContact OD1-NH2 2.84Å; D91-R128 PolarHBondContact OD1-NH2 2.85Å; D91-R160 IonicContact OD2-CZ 3.77Å; D91-R160 IonicContact OD2-NH1 2.75Å; D91-R160 PolarHBondContact OD2-NH1 2.88Å; D91-Y170 PolarHBondContact OD2-N 2.88Å |
| 92 | M | 96.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.3 | -159.9 | -57.9 | 172.3 | 71.6 | 0 | 0 | 113.1 | I79 L90 E116 A117 T119 L125 F182 M216 | I79-M92 WeakPolarHBondContact O-CA 3.37Å; L90-M92 HydrophobicContact CB-CG 3.73Å; L90-M92 HydrophobicContact CB-SD 4.2Å; M92-E116 CarbonylContact O-C 3.53Å; M92-E116 WeakPolarHBondContact O-CA 3.48Å; M92-A117 WeakPolarHBondContact CA-O 3.34Å; M92-A117 HydrophobicContact CB-CB 4.08Å; M92-A117 WeakPolarHBondContact CB-O 3.1Å; M92-A117 PolarHBondContact N-O 2.96Å; M92-A117 PolarHBondContact O-N 3.36Å; M92-T119 HydrophobicContact SD-CG2 3.7Å; M92-L125 HydrophobicContact CE-CD1 3.79Å; M92-L125 HydrophobicContact SD-CD1 4.25Å; M92-F182 HydrophobicContact CE-CD1 4.17Å; M92-F182 HydrophobicContact CE-CE1 3.39Å; M92-F182 HydrophobicContact CE-CE2 3.88Å; M92-F182 HydrophobicContact CE-CZ 3.23Å; M92-M216 HydrophobicContact CE-CE 4.31Å; M92-M216 HydrophobicContact CE-CG 4.37Å; M92-M216 HydrophobicContact CE-SD 3.67Å |
| 93 | Y | 96.7 | Very high | 83.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.5 | 177.4 | -56.1 | -93.5 | 0 | 0 | 0 | 108.8 | G78 I79 F81 F114 E116 F158 R160 | G78-Y93 CarbonylContact C-O 3.53Å; G78-Y93 WeakPolarHBondContact CA-O 3.43Å; I79-Y93 HydrophobicContact CG2-CD2 4.45Å; I79-Y93 PolarHBondContact N-O 3.46Å; I79-Y93 PolarHBondContact O-N 3.43Å; F81-Y93 HydrophobicContact CD2-CD2 4.12Å; F81-Y93 AromaticContact CD2-CE2 3.92Å; F81-Y93 HydrophobicContact CD2-CE2 3.92Å; F81-Y93 AromaticContact CE2-CD2 3.7Å; F81-Y93 HydrophobicContact CE2-CD2 3.7Å; F81-Y93 AromaticContact CE2-CE2 3.74Å; F81-Y93 HydrophobicContact CE2-CE2 3.74Å; Y93-F114 HydrophobicContact CD1-CZ 4.02Å; Y93-E116 HydrophobicContact CD1-CG 3.8Å; Y93-E116 HydrophobicContact CE1-CG 3.8Å; Y93-F158 AromaticContact CD1-CD2 3.97Å; Y93-F158 HydrophobicContact CD1-CD2 3.97Å; Y93-F158 AromaticContact CD1-CE2 3.57Å; Y93-F158 HydrophobicContact CD1-CE2 3.57Å; Y93-F158 HydrophobicContact CD1-CZ 4.31Å; Y93-F158 AromaticContact CD2-CE2 3.8Å; Y93-F158 HydrophobicContact CD2-CE2 3.8Å; Y93-F158 AromaticContact CD2-CZ 3.91Å; Y93-F158 HydrophobicContact CD2-CZ 3.91Å; Y93-F158 HydrophobicContact CE1-CD2 4.49Å; Y93-F158 HydrophobicContact CE1-CE2 4.04Å; Y93-F158 HydrophobicContact CE2-CE2 4.23Å; Y93-F158 HydrophobicContact CG-CD2 4.2Å; Y93-F158 AromaticContact CG-CE2 3.44Å; Y93-F158 HydrophobicContact CG-CE2 3.44Å; Y93-F158 VanDerWaalsContact CG-CE2 3.44Å; Y93-F158 AromaticContact CG-CZ 3.72Å; Y93-F158 HydrophobicContact CG-CZ 3.72Å; Y93-R160 WeakPolarHBondContact OH-CD 3.38Å; Y93-R160 PolarHBondContact OH-NH1 3.22Å |
| 94 | L | 94.9 | Very high | 81.2 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.4 | -173.4 | 64.4 | 110.9 | 0 | 0 | 0 | 113.6 | F76 F77 F114 M115 A117 F182 | F76-L94 HydrophobicContact CB-CD1 3.93Å; F76-L94 HydrophobicContact CG-CD1 4.43Å; F77-L94 WeakPolarHBondContact O-CA 3.19Å; F77-L94 WeakPolarHBondContact O-CB 3.49Å; L94-F114 WeakPolarHBondContact O-CA 3.47Å; L94-M115 HydrophobicContact CD1-CE 3.53Å; L94-M115 HydrophobicContact CG-CB 4.48Å; L94-M115 HydrophobicContact CG-CE 4.45Å; L94-M115 PolarHBondContact N-O 2.89Å; L94-M115 PolarHBondContact O-N 2.98Å; L94-A117 HydrophobicContact CD2-CB 3.93Å; L94-F182 HydrophobicContact CB-CE2 4.13Å; L94-F182 HydrophobicContact CB-CZ 4.11Å; L94-F182 HydrophobicContact CD2-CE2 4.41Å; L94-F182 HydrophobicContact CD2-CZ 4.29Å |
| 95 | L | 92.6 | Very high | 79 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.8 | 162.9 | -74.6 | -171.5 | 0 | 0 | 0 | 109.6 | F76 F77 F97 Y112 L113 F114 V138 F156 | F76-L95 WeakPolarHBondContact CA-O 3.23Å; F76-L95 WeakPolarHBondContact CB-O 3.46Å; F77-L95 HydrophobicContact CD1-CB 4.34Å; F77-L95 HydrophobicContact CE1-CB 4.01Å; F77-L95 HydrophobicContact CE1-CD1 3.95Å; F77-L95 HydrophobicContact CE1-CG 4.46Å; F77-L95 HydrophobicContact CZ-CD1 4.09Å; F77-L95 PolarHBondContact N-O 2.83Å; F77-L95 VanDerWaalsContact N-O 3.12Å; F77-L95 PolarHBondContact O-N 3.49Å; L95-F97 HydrophobicContact CB-CE2 3.73Å; L95-F97 HydrophobicContact CB-CZ 3.95Å; L95-F97 HydrophobicContact CD1-CZ 4Å; L95-Y112 HydrophobicContact CD2-CD2 3.6Å; L95-Y112 HydrophobicContact CD2-CE2 4.16Å; L95-Y112 HydrophobicContact CD2-CG 4.31Å; L95-L113 WeakPolarHBondContact CA-O 3.48Å; L95-F114 HydrophobicContact CD2-CB 3.86Å; L95-F114 HydrophobicContact CD2-CD2 4.14Å; L95-V138 HydrophobicContact CD1-CB 4.5Å; L95-V138 HydrophobicContact CD1-CG1 3.66Å; L95-V138 HydrophobicContact CD1-CG2 3.96Å; L95-V138 HydrophobicContact CD2-CG2 4.16Å; L95-F156 HydrophobicContact CD1-CB 3.66Å; L95-F156 HydrophobicContact CD1-CD1 3.91Å; L95-F156 HydrophobicContact CD1-CG 4.05Å; L95-F156 HydrophobicContact CD2-CB 4.42Å; L95-F156 HydrophobicContact CG-CB 3.92Å; L95-F156 HydrophobicContact CG-CD1 3.79Å; L95-F156 HydrophobicContact CG-CE1 4.44Å; L95-F156 HydrophobicContact CG-CG 3.88Å |
| 96 | Y | 88.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.1 | 173.2 | 172 | -113.2 | 0 | 0 | 0 | 111.5 | K75 F76 P98 Y112 L113 M115 Q197 S210 L211 | K75-Y96 HydrophobicContact CG-CD2 4.45Å; K75-Y96 HydrophobicContact CG-CE2 4.08Å; K75-Y96 WeakPolarHBondContact O-CD2 3.15Å; F76-Y96 HydrophobicContact CB-CD2 4.39Å; Y96-P98 HydrophobicContact CD1-CB 4.5Å; Y96-P98 HydrophobicContact CE1-CB 3.78Å; Y96-P98 HydrophobicContact CE1-CG 4.35Å; Y96-P98 WeakPolarHBondContact O-CD 3.22Å; Y96-Y112 CarbonylContact O-C 3.5Å; Y96-Y112 VanDerWaalsContact O-CA 3.3Å; Y96-Y112 WeakPolarHBondContact O-CA 3.11Å; Y96-L113 HydrophobicContact CD1-CB 4.44Å; Y96-L113 HydrophobicContact CD1-CD1 4.08Å; Y96-L113 PolarHBondContact N-O 2.79Å; Y96-L113 PolarHBondContact O-N 2.86Å; Y96-M115 HydrophobicContact CD1-CE 4.16Å; Y96-M115 HydrophobicContact CG-CE 3.8Å; Y96-Q197 PolarHBondContact OH-NE2 2.92Å; Y96-S210 WeakPolarHBondContact OH-CB 3.22Å; Y96-S210 PolarHBondContact OH-OG 3.26Å; Y96-L211 HydrophobicContact CD1-CD1 4.38Å; Y96-L211 HydrophobicContact CD2-CD1 3.76Å; Y96-L211 HydrophobicContact CD2-CD2 3.99Å; Y96-L211 HydrophobicContact CD2-CG 4.24Å; Y96-L211 HydrophobicContact CE2-CD1 4.13Å; Y96-L211 HydrophobicContact CE2-CD2 4.04Å; Y96-L211 HydrophobicContact CE2-CG 4.2Å; Y96-L211 HydrophobicContact CG-CD1 3.88Å |
| 97 | F | 85.3 | Confident | 75.2 | Confident | 24 Ų | 24 | 46.3 Ų | 46.3 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | trans | -119.6 | 95 | -175.4 | -62.5 | -87.1 | 0 | 0 | 0 | 109.2 | L74 K75 F77 L95 F140 I154 | L74-F97 HydrophobicContact CD2-CD2 4.02Å; L74-F97 HydrophobicContact CD2-CE2 3.75Å; L74-F97 HydrophobicContact CD2-CZ 4.34Å; L74-F97 HydrophobicContact CG-CD2 4.03Å; L74-F97 HydrophobicContact CG-CE2 4.24Å; L74-F97 WeakPolarHBondContact O-CB 3.42Å; K75-F97 PolarHBondContact O-N 3.47Å; F77-F97 AromaticContact CD1-CE2 3.82Å; F77-F97 HydrophobicContact CD1-CE2 3.82Å; F77-F97 HydrophobicContact CD1-CZ 4.47Å; F77-F97 AromaticContact CE1-CE2 3.78Å; F77-F97 HydrophobicContact CE1-CE2 3.78Å; F77-F97 AromaticContact CE1-CZ 3.98Å; F77-F97 HydrophobicContact CE1-CZ 3.98Å; L95-F97 HydrophobicContact CB-CE2 3.73Å; L95-F97 HydrophobicContact CB-CZ 3.95Å; L95-F97 HydrophobicContact CD1-CZ 4Å; F97-F140 AromaticContact CE1-CE1 3.86Å; F97-F140 HydrophobicContact CE1-CE1 3.86Å; F97-F140 AromaticContact CE1-CZ 3.98Å; F97-F140 HydrophobicContact CE1-CZ 3.98Å; F97-F140 HydrophobicContact CZ-CE1 4.46Å; F97-I154 HydrophobicContact CZ-CG2 4.44Å | ||
| 98 | P | 77.5 | Confident | 73.5 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | trans | -69.8 | 148 | -176.9 | 24.5 | -31.1 | 0 | 0 | 0 | 113.2 | Y96 Y100 | Y96-P98 HydrophobicContact CD1-CB 4.5Å; Y96-P98 HydrophobicContact CE1-CB 3.78Å; Y96-P98 HydrophobicContact CE1-CG 4.35Å; Y96-P98 WeakPolarHBondContact O-CD 3.22Å; P98-Y100 HydrophobicContact CB-CD1 3.5Å; P98-Y100 VanDerWaalsContact CB-CD1 3.5Å; P98-Y100 HydrophobicContact CB-CE1 3.16Å; P98-Y100 HydrophobicContact CB-CG 4.46Å; P98-Y100 HydrophobicContact CG-CD1 4.22Å; P98-Y100 HydrophobicContact CG-CE1 3.52Å; P98-Y100 PolarHBondContact O-N 3.33Å | ||
| 99 | L | 72.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -67.7 | -34.4 | -179.6 | -72.1 | 172.9 | 0 | 0 | 0 | 113.6 | N101 K102 Y186 I189 D193 V194 | L99-N101 PolarHBondContact O-N 2.81Å; L99-N101 VanDerWaalsContact O-N 3.14Å; L99-K102 PolarHBondContact O-N 3.23Å; L99-Y186 HydrophobicContact CD1-CD1 3.96Å; L99-Y186 HydrophobicContact CD1-CE1 3.61Å; L99-Y186 HydrophobicContact CD1-CE2 4.43Å; L99-Y186 HydrophobicContact CD1-CG 4.49Å; L99-Y186 HydrophobicContact CD2-CD1 4.19Å; L99-Y186 HydrophobicContact CD2-CD2 3.54Å; L99-Y186 HydrophobicContact CD2-CE1 4.13Å; L99-Y186 HydrophobicContact CD2-CE2 3.47Å; L99-Y186 VanDerWaalsContact CD2-CE2 3.47Å; L99-Y186 HydrophobicContact CD2-CG 3.9Å; L99-Y186 HydrophobicContact CG-CD1 4.23Å; L99-Y186 HydrophobicContact CG-CD2 4.16Å; L99-Y186 HydrophobicContact CG-CE1 3.74Å; L99-Y186 HydrophobicContact CG-CE2 3.67Å; L99-Y186 HydrophobicContact CG-CG 4.42Å; L99-Y186 VanDerWaalsContact CG-CZ 3.43Å; L99-I189 HydrophobicContact CD1-CG2 4.45Å; L99-I189 HydrophobicContact CD2-CD1 3.91Å; L99-I189 HydrophobicContact CD2-CG1 3.89Å; L99-I189 HydrophobicContact CD2-CG2 3.92Å; L99-D193 HydrophobicContact CD1-CB 4.12Å; L99-V194 HydrophobicContact CB-CG2 4.35Å |
| 100 | Y | 60.1 | Low | 70 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.7 | -169.3 | 67.6 | -98.8 | 0 | 0 | 0 | 114.3 | P98 K102 Q197 M198 H201 T206 | P98-Y100 HydrophobicContact CB-CD1 3.5Å; P98-Y100 VanDerWaalsContact CB-CD1 3.5Å; P98-Y100 HydrophobicContact CB-CE1 3.16Å; P98-Y100 HydrophobicContact CB-CG 4.46Å; P98-Y100 HydrophobicContact CG-CD1 4.22Å; P98-Y100 HydrophobicContact CG-CE1 3.52Å; P98-Y100 PolarHBondContact O-N 3.33Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 3.11Å; Y100-Q197 HydrophobicContact CD1-CB 4.4Å; Y100-M198 HydrophobicContact CG-CG 4.49Å; Y100-H201 HydrophobicContact CD1-CB 3.72Å; Y100-H201 HydrophobicContact CD2-CB 4.26Å; Y100-H201 AromaticContact CD2-CD2 3.78Å; Y100-H201 HydrophobicContact CE1-CB 3.53Å; Y100-H201 AromaticContact CE1-CG 3.46Å; Y100-H201 VanDerWaalsContact CE1-CG 3.46Å; Y100-H201 AromaticContact CE1-ND1 3.69Å; Y100-H201 HydrophobicContact CE2-CB 4.1Å; Y100-H201 AromaticContact CE2-CD2 3.13Å; Y100-H201 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H201 AromaticContact CE2-CE1 3.93Å; Y100-H201 AromaticContact CE2-CG 3.46Å; Y100-H201 VanDerWaalsContact CE2-CG 3.46Å; Y100-H201 AromaticContact CE2-ND1 3.94Å; Y100-H201 AromaticContact CE2-NE2 3.48Å; Y100-H201 WeakPolarHBondContact CE2-NE2 3.25Å; Y100-H201 HydrophobicContact CG-CB 4.13Å; Y100-H201 AromaticContact CZ-CD2 3.36Å; Y100-H201 AromaticContact CZ-CE1 3.51Å; Y100-H201 AromaticContact CZ-CG 3.17Å; Y100-H201 AromaticContact CZ-ND1 3.29Å; Y100-H201 VanDerWaalsContact CZ-ND1 3.29Å; Y100-H201 AromaticContact CZ-NE2 3.57Å; Y100-H201 PolarHBondContact OH-CE1 3.3Å; Y100-H201 PolarHBondContact OH-ND1 3.02Å; Y100-H201 PolarHBondContact OH-NE2 3Å; Y100-T206 HydrophobicContact CD1-CG2 3.99Å; Y100-T206 HydrophobicContact CE1-CG2 3.95Å |
| 101 | N | 54.8 | Low | 69.1 | Low | 31 Ų | 31 | 59.9 Ų | 59.9 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -90.2 | 8 | -175.5 | -99.8 | 0.2 | 0 | 0 | 0 | 113.9 | L99 N111 | L99-N101 PolarHBondContact O-N 2.81Å; L99-N101 VanDerWaalsContact O-N 3.14Å; N101-N111 HydrophobicContact CB-CB 3.88Å; N101-N111 VanDerWaalsContact CB-CG 3.44Å; N101-N111 VanDerWaalsContact CG-OD1 3.3Å; N101-N111 PolarHBondContact ND2-OD1 3.01Å; N101-N111 PolarHBondContact O-ND2 3.33Å |
| 102 | K | 53.7 | Low | 68.6 | Low | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -79.2 | -13.5 | -179.6 | -74.6 | 178.2 | -179.3 | 170 | 0 | 115.4 | K72 L99 Y100 | K72-K102 WeakPolarHBondContact O-CE 3.4Å; K72-K102 PolarHBondContact O-NZ 3.48Å; L99-K102 PolarHBondContact O-N 3.23Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 3.11Å |
| 103 | E | 45 | Very low | 68.2 | Low | 144 Ų | 144 | 66 Ų | 66 | 67% | 0.673 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -89.7 | -11.5 | 180 | -74.5 | -167.9 | 163.7 | 0 | 0 | 114 | E105 | E103-E105 PolarHBondContact O-N 3.03Š|
| 104 | I | 43.5 | Very low | 68 | Low | 124 Ų | 124 | 66.7 Ų | 66.7 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -94.9 | 94.1 | -179.5 | -55.3 | 175.3 | 0 | 0 | 0 | 109.4 | ||
| 105 | E | 43.8 | Very low | 67.8 | Low | 172 Ų | 172 | 67.3 Ų | 67.3 | 80% | 0.804 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22.4 | 105.1 | 158.8 | -65 | -175.4 | 159.1 | 0 | 0 | 118.8 | E103 N107 | E103-E105 PolarHBondContact O-N 3.03Å; E105-N107 VanDerWaalsContact C-N 3.29Å; E105-N107 PolarHBondContact O-N 3.05Å |
| 106 | N | 49 | Very low | 67.9 | Low | 167 Ų | 167 | 67.4 Ų | 67.4 | 89% | 0.893 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 1.8 | 146.1 | -77.8 | -21.6 | 0 | 0 | 0 | 121.7 | ||
| 107 | N | 52.2 | Low | 68.1 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | trans | -128.6 | 87.6 | 179.7 | -133.4 | 11.8 | 0 | 0 | 0 | 112.6 | E105 K109 | E105-N107 VanDerWaalsContact C-N 3.29Å; E105-N107 PolarHBondContact O-N 3.05Å; N107-K109 PolarHBondContact O-N 2.04Å | ||
| 108 | Y | 57.2 | Low | 68.6 | Low | 92 Ų | 92 | 68.7 Ų | 68.7 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -55.8 | -18.1 | 173.6 | -65.5 | -86.2 | 0 | 0 | 0 | 113.9 | I71 K72 D110 N111 | I71-Y108 HydrophobicContact CG2-CD1 4.25Å; I71-Y108 HydrophobicContact CG2-CE1 4.47Å; K72-Y108 WeakPolarHBondContact CE-OH 3.5Å; K72-Y108 HydrophobicContact CG-CE1 4Å; Y108-D110 PolarHBondContact O-N 2.92Å; Y108-N111 PolarHBondContact O-N 3.02Å |
| 109 | K | 55.7 | Low | 69.4 | Low | 122 Ų | 122 | 68.4 Ų | 68.4 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -61.6 | -23 | -173.5 | -74.9 | -173.2 | 171.6 | -172 | 0 | 114.7 | N107 Y112 F140 | N107-K109 PolarHBondContact O-N 2.04Å; K109-Y112 VanDerWaalsContact O-CE1 3.22Å; K109-Y112 WeakPolarHBondContact O-CE1 3.32Å; K109-F140 HydrophobicContact CG-CD2 4.06Å |
| 110 | D | 60.1 | Low | 70.4 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -110 | 7.6 | -171.3 | -57.5 | -35.3 | 0 | 0 | 0 | 113.6 | Y108 | Y108-D110 PolarHBondContact O-N 2.92Š|
| 111 | N | 76.4 | Confident | 72 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | trans | -115.8 | 50.1 | -168.6 | -68.6 | -25.1 | 0 | 0 | 0 | 113.7 | N101 Y108 | N101-N111 HydrophobicContact CB-CB 3.88Å; N101-N111 VanDerWaalsContact CB-CG 3.44Å; N101-N111 VanDerWaalsContact CG-OD1 3.3Å; N101-N111 PolarHBondContact ND2-OD1 3.01Å; N101-N111 PolarHBondContact O-ND2 3.33Å; Y108-N111 PolarHBondContact O-N 3.02Å | ||
| 112 | Y | 85.1 | Confident | 73.8 | Confident | 68 Ų | 68 | 78.9 Ų | 78.9 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | trans | -133 | 156.7 | 174.3 | 65.4 | -95.4 | 0 | 0 | 0 | 111.5 | L95 Y96 K109 L135 V138 F140 | L95-Y112 HydrophobicContact CD2-CD2 3.6Å; L95-Y112 HydrophobicContact CD2-CE2 4.16Å; L95-Y112 HydrophobicContact CD2-CG 4.31Å; Y96-Y112 CarbonylContact O-C 3.5Å; Y96-Y112 VanDerWaalsContact O-CA 3.3Å; Y96-Y112 WeakPolarHBondContact O-CA 3.11Å; K109-Y112 VanDerWaalsContact O-CE1 3.22Å; K109-Y112 WeakPolarHBondContact O-CE1 3.32Å; Y112-L135 HydrophobicContact CE2-CD2 4.02Å; Y112-V138 HydrophobicContact CD1-CG1 4.4Å; Y112-V138 HydrophobicContact CD2-CG2 4.17Å; Y112-V138 HydrophobicContact CE1-CB 3.88Å; Y112-V138 HydrophobicContact CE1-CG1 4.12Å; Y112-V138 HydrophobicContact CE1-CG2 4.04Å; Y112-V138 HydrophobicContact CE2-CB 4.25Å; Y112-V138 HydrophobicContact CE2-CG2 3.48Å; Y112-V138 VanDerWaalsContact CE2-CG2 3.48Å; Y112-V138 WeakPolarHBondContact OH-CG2 3.38Å; Y112-F140 AromaticContact CD1-CE2 3.86Å; Y112-F140 HydrophobicContact CD1-CE2 3.86Å; Y112-F140 AromaticContact CD1-CZ 3.7Å; Y112-F140 HydrophobicContact CD1-CZ 3.7Å; Y112-F140 AromaticContact CE1-CE2 3.87Å; Y112-F140 HydrophobicContact CE1-CE2 3.87Å; Y112-F140 HydrophobicContact CE1-CZ 4.2Å | ||
| 113 | L | 88.2 | Confident | 75.7 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.8 | 170.5 | -66.9 | 169.8 | 0 | 0 | 0 | 108.1 | L95 Y96 M115 | L95-L113 WeakPolarHBondContact CA-O 3.48Å; Y96-L113 HydrophobicContact CD1-CB 4.44Å; Y96-L113 HydrophobicContact CD1-CD1 4.08Å; Y96-L113 PolarHBondContact N-O 2.79Å; Y96-L113 PolarHBondContact O-N 2.86Å; L113-M115 HydrophobicContact CB-CG 4.27Å; L113-M115 HydrophobicContact CB-SD 4.38Å |
| 114 | F | 91.5 | Very high | 78.1 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 129.3 | 167.1 | 176.1 | -104.7 | 0 | 0 | 0 | 108.9 | Y93 L94 L95 I131 S133 L135 F156 F158 | Y93-F114 HydrophobicContact CD1-CZ 4.02Å; L94-F114 WeakPolarHBondContact O-CA 3.47Å; L95-F114 HydrophobicContact CD2-CB 3.86Å; L95-F114 HydrophobicContact CD2-CD2 4.14Å; F114-I131 HydrophobicContact CE1-CG2 4.25Å; F114-S133 VanDerWaalsContact CE1-OG 3.25Å; F114-S133 WeakPolarHBondContact CE1-OG 3.36Å; F114-S133 WeakPolarHBondContact CZ-OG 3.37Å; F114-L135 HydrophobicContact CB-CD1 4.42Å; F114-L135 HydrophobicContact CB-CD2 3.75Å; F114-L135 HydrophobicContact CB-CG 4.48Å; F114-L135 HydrophobicContact CD1-CB 3.95Å; F114-L135 HydrophobicContact CD2-CD1 3.88Å; F114-L135 HydrophobicContact CE1-CB 4.24Å; F114-L135 HydrophobicContact CE2-CD1 4.25Å; F114-L135 HydrophobicContact CG-CB 4.16Å; F114-L135 HydrophobicContact CG-CD1 4.05Å; F114-L135 HydrophobicContact CG-CD2 4.13Å; F114-L135 HydrophobicContact CG-CG 4.34Å; F114-F156 HydrophobicContact CD2-CD2 4.28Å; F114-F156 HydrophobicContact CD2-CE2 4.5Å; F114-F156 HydrophobicContact CE2-CD2 4.01Å; F114-F156 AromaticContact CE2-CE2 3.98Å; F114-F156 HydrophobicContact CE2-CE2 3.98Å; F114-F158 HydrophobicContact CE2-CB 4.14Å; F114-F158 HydrophobicContact CE2-CG 4.21Å; F114-F158 HydrophobicContact CZ-CB 3.96Å; F114-F158 HydrophobicContact CZ-CD2 4.11Å; F114-F158 HydrophobicContact CZ-CG 4.09Å |
| 115 | M | 91.8 | Very high | 80.4 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150 | -174.4 | -61.2 | -177.5 | -56.2 | 0 | 0 | 110.8 | L94 Y96 L113 I127 P207 L211 | L94-M115 HydrophobicContact CD1-CE 3.53Å; L94-M115 HydrophobicContact CG-CB 4.48Å; L94-M115 HydrophobicContact CG-CE 4.45Å; L94-M115 PolarHBondContact N-O 2.89Å; L94-M115 PolarHBondContact O-N 2.98Å; Y96-M115 HydrophobicContact CD1-CE 4.16Å; Y96-M115 HydrophobicContact CG-CE 3.8Å; L113-M115 HydrophobicContact CB-CG 4.27Å; L113-M115 HydrophobicContact CB-SD 4.38Å; M115-I127 HydrophobicContact CE-CD1 4.19Å; M115-I127 HydrophobicContact SD-CD1 4.45Å; M115-P207 HydrophobicContact CE-CB 4.29Å; M115-P207 HydrophobicContact SD-CB 3.39Å; M115-P207 WeakPolarHBondContact SD-CB 3.36Å; M115-P207 HydrophobicContact SD-CG 4.2Å; M115-L211 HydrophobicContact CE-CD1 3.14Å; M115-L211 HydrophobicContact SD-CD1 4.25Å |
| 116 | E | 93.9 | Very high | 82.7 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.2 | 167.6 | -60.7 | -178.3 | -176.9 | 0 | 0 | 109 | M92 Y93 R128 I131 E132 S133 R166 | M92-E116 CarbonylContact O-C 3.53Å; M92-E116 WeakPolarHBondContact O-CA 3.48Å; Y93-E116 HydrophobicContact CD1-CG 3.8Å; Y93-E116 HydrophobicContact CE1-CG 3.8Å; E116-R128 HydrophobicContact CB-CB 4.2Å; E116-R128 HydrophobicContact CB-CG 4.29Å; E116-R128 PolarHBondContact O-N 2.8Å; E116-I131 HydrophobicContact CG-CG1 4.45Å; E116-I131 HydrophobicContact CG-CG2 4.26Å; E116-I131 VanDerWaalsContact OE1-CG2 3.28Å; E116-I131 WeakPolarHBondContact OE1-CG2 3.38Å; E116-E132 PolarHBondContact OE1-N 3.03Å; E116-E132 PolarHBondContact OE2-N 3.45Å; E116-S133 WeakPolarHBondContact OE1-CB 3.09Å; E116-S133 PolarHBondContact OE1-N 2.84Å; E116-S133 PolarHBondContact OE1-OG 2.86Å; E116-R166 IonicContact OE2-CZ 3.77Å; E116-R166 IonicContact OE2-NH1 2.59Å; E116-R166 PolarHBondContact OE2-NH1 2.89Å |
| 117 | A | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | M92 L94 L125 H126 I127 | M92-A117 WeakPolarHBondContact CA-O 3.34Å; M92-A117 HydrophobicContact CB-CB 4.08Å; M92-A117 WeakPolarHBondContact CB-O 3.1Å; M92-A117 PolarHBondContact N-O 2.96Å; M92-A117 PolarHBondContact O-N 3.36Å; L94-A117 HydrophobicContact CD2-CB 3.93Å; A117-L125 HydrophobicContact CB-CD2 4.14Å; A117-L125 HydrophobicContact CB-CG 4.26Å; A117-H126 CarbonylContact C-O 3.54Å; A117-H126 WeakPolarHBondContact CA-O 3.33Å; A117-H126 VanDerWaalsContact CB-O 3.31Å; A117-H126 WeakPolarHBondContact CB-O 3.21Å; A117-I127 HydrophobicContact CB-CD1 4.05Å |
| 118 | Y | 94.7 | Very high | 86.4 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 161.1 | 166.2 | 65.1 | -85.4 | 0 | 0 | 0 | 110.7 | L90 L125 H126 R128 N168 | L90-Y118 CarbonylContact O-C 3.44Å; L90-Y118 WeakPolarHBondContact O-CA 3.16Å; L90-Y118 WeakPolarHBondContact O-CB 3.47Å; Y118-L125 CarbonylContact O-C 3.56Å; Y118-L125 WeakPolarHBondContact O-CA 3.15Å; Y118-H126 HydrophobicContact CD1-CB 4Å; Y118-H126 HydrophobicContact CD2-CB 4.25Å; Y118-H126 HydrophobicContact CE1-CB 3.5Å; Y118-H126 HydrophobicContact CE2-CB 3.77Å; Y118-H126 AromaticContact CE2-CD2 3.53Å; Y118-H126 AromaticContact CE2-CG 3.84Å; Y118-H126 HydrophobicContact CG-CB 4.35Å; Y118-H126 AromaticContact CZ-CD2 3.94Å; Y118-H126 AromaticContact CZ-CG 3.74Å; Y118-H126 PolarHBondContact N-O 3.21Å; Y118-H126 PolarHBondContact O-N 2.92Å; Y118-R128 HydrophobicContact CD1-CG 4.05Å; Y118-N168 HydrophobicContact CD1-CB 4.44Å; Y118-N168 HydrophobicContact CD2-CB 3.52Å; Y118-N168 HydrophobicContact CE2-CB 3.99Å; Y118-N168 VanDerWaalsContact CE2-ND2 3.27Å; Y118-N168 WeakPolarHBondContact CE2-ND2 3.46Å; Y118-N168 HydrophobicContact CG-CB 3.78Å |
| 119 | T | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148.3 | 162.2 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | P87 N89 L90 M92 I124 M216 | P87-T119 PolarHBondContact O-OG1 2.89Å; N89-T119 WeakPolarHBondContact CA-O 3.28Å; N89-T119 PolarHBondContact N-O 2.96Å; N89-T119 PolarHBondContact N-OG1 3.46Å; L90-T119 WeakPolarHBondContact CB-OG1 3.38Å; L90-T119 WeakPolarHBondContact CG-OG1 3.05Å; L90-T119 PolarHBondContact N-OG1 3.27Å; L90-T119 PolarHBondContact O-N 3.07Å; M92-T119 HydrophobicContact SD-CG2 3.7Å; T119-I124 CarbonylContact C-O 3.58Å; T119-I124 WeakPolarHBondContact CA-O 3.31Å; T119-M216 HydrophobicContact CG2-CB 3.56Å; T119-M216 HydrophobicContact CG2-CG 3.99Å |
| 120 | D | 93.3 | Very high | 88.9 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | trans | -88 | -172.8 | 170 | 63.7 | 23.3 | 0 | 0 | 0 | 112.1 | N89 N122 S123 I124 H126 | N89-D120 PolarHBondContact N-O 2.7Å; N89-D120 VanDerWaalsContact N-O 3.16Å; N89-D120 VanDerWaalsContact OD1-C 3.26Å; D120-N122 PolarHBondContact O-N 2.86Å; D120-N122 VanDerWaalsContact OD1-CA 3.32Å; D120-N122 WeakPolarHBondContact OD1-CA 3.03Å; D120-N122 WeakPolarHBondContact OD1-CB 3.4Å; D120-N122 PolarHBondContact OD1-N 3.37Å; D120-S123 PolarHBondContact O-N 2.93Å; D120-S123 PolarHBondContact OD1-N 3.11Å; D120-I124 PolarHBondContact N-O 3.1Å; D120-I124 WeakPolarHBondContact OD1-CB 3.48Å; D120-I124 PolarHBondContact OD1-N 2.57Å; D120-H126 IonicContact OD2-CD2 3.82Å; D120-H126 IonicContact OD2-CE1 3.8Å; D120-H126 IonicContact OD2-NE2 2.85Å; D120-H126 PolarHBondContact OD2-NE2 2.87Å | ||
| 121 | E | 92.2 | Very high | 90 | Very high | 142 Ų | 142 | 46.5 Ų | 46.5 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.3 | 177 | 62.5 | -176.6 | -176.6 | 0 | 0 | 113.6 | N89 S123 | N89-E121 PolarHBondContact OD1-N 2.88Å; N89-E121 VanDerWaalsContact OD1-N 3.15Å; E121-S123 VanDerWaalsContact C-N 3.29Å |
| 122 | N | 93.6 | Very high | 90.6 | Very high | 102 Ų | 102 | 50.5 Ų | 50.5 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 10.2 | 176.6 | -60.1 | -60.2 | 0 | 0 | 0 | 111.9 | D120 I124 | D120-N122 PolarHBondContact O-N 2.86Å; D120-N122 VanDerWaalsContact OD1-CA 3.32Å; D120-N122 WeakPolarHBondContact OD1-CA 3.03Å; D120-N122 WeakPolarHBondContact OD1-CB 3.4Å; D120-N122 PolarHBondContact OD1-N 3.37Å; N122-I124 HydrophobicContact CB-CG1 4.08Å; N122-I124 PolarHBondContact O-N 3.37Å |
| 123 | S | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | 65.7 | 17.6 | -177.2 | -167.2 | 0 | 0 | 0 | 0 | 114.1 | P87 D120 E121 M216 K217 | P87-S123 PolarHBondContact O-OG 2.59Å; D120-S123 PolarHBondContact O-N 2.93Å; D120-S123 PolarHBondContact OD1-N 3.11Å; E121-S123 VanDerWaalsContact C-N 3.29Å; S123-M216 WeakPolarHBondContact O-CB 3.4Å; S123-M216 PolarHBondContact O-N 2.76Å; S123-M216 WeakPolarHBondContact OG-CB 3.32Å; S123-K217 WeakPolarHBondContact OG-CG 3.03Å; S123-K217 PolarHBondContact OG-N 2.82Å; S123-K217 VanDerWaalsContact OG-N 3.14Å | ||
| 124 | I | 94.2 | Very high | 91.2 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.19 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 130.5 | -178.6 | -58.4 | -58.5 | 0 | 0 | 0 | 110.1 | T119 D120 N122 H126 N213 E215 | T119-I124 CarbonylContact C-O 3.58Å; T119-I124 WeakPolarHBondContact CA-O 3.31Å; D120-I124 PolarHBondContact N-O 3.1Å; D120-I124 WeakPolarHBondContact OD1-CB 3.48Å; D120-I124 PolarHBondContact OD1-N 2.57Å; N122-I124 HydrophobicContact CB-CG1 4.08Å; N122-I124 PolarHBondContact O-N 3.37Å; I124-H126 PolarHBondContact O-CD2 3.45Å; I124-H126 PolarHBondContact O-NE2 3.49Å; I124-N213 HydrophobicContact CG2-CB 4.47Å; I124-E215 HydrophobicContact CD1-CB 4.07Å; I124-E215 HydrophobicContact CD1-CG 4.28Å |
| 125 | L | 92.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 132.2 | 179.3 | -170.5 | 152.6 | 0 | 0 | 0 | 111.7 | M92 A117 Y118 I127 L211 N212 N213 L214 | M92-L125 HydrophobicContact CE-CD1 3.79Å; M92-L125 HydrophobicContact SD-CD1 4.25Å; A117-L125 HydrophobicContact CB-CD2 4.14Å; A117-L125 HydrophobicContact CB-CG 4.26Å; Y118-L125 CarbonylContact O-C 3.56Å; Y118-L125 WeakPolarHBondContact O-CA 3.15Å; L125-I127 HydrophobicContact CD2-CD1 3.73Å; L125-I127 HydrophobicContact CD2-CG1 4.25Å; L125-L211 HydrophobicContact CD2-CB 4.17Å; L125-L211 WeakPolarHBondContact CD2-O 3.08Å; L125-N212 WeakPolarHBondContact O-CA 3.1Å; L125-N213 PolarHBondContact O-N 3.16Å; L125-N213 VanDerWaalsContact O-N 3.1Å; L125-L214 HydrophobicContact CB-CB 4.37Å; L125-L214 WeakPolarHBondContact CB-O 3.38Å; L125-L214 PolarHBondContact N-O 2.97Å |
| 126 | H | 91.6 | Very high | 91.4 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 18% | 0.181 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.9 | 176 | -59.3 | -83 | 0 | 0 | 0 | 110.3 | A117 Y118 D120 I124 N212 | A117-H126 CarbonylContact C-O 3.54Å; A117-H126 WeakPolarHBondContact CA-O 3.33Å; A117-H126 VanDerWaalsContact CB-O 3.31Å; A117-H126 WeakPolarHBondContact CB-O 3.21Å; Y118-H126 HydrophobicContact CD1-CB 4Å; Y118-H126 HydrophobicContact CD2-CB 4.25Å; Y118-H126 HydrophobicContact CE1-CB 3.5Å; Y118-H126 HydrophobicContact CE2-CB 3.77Å; Y118-H126 AromaticContact CE2-CD2 3.53Å; Y118-H126 AromaticContact CE2-CG 3.84Å; Y118-H126 HydrophobicContact CG-CB 4.35Å; Y118-H126 AromaticContact CZ-CD2 3.94Å; Y118-H126 AromaticContact CZ-CG 3.74Å; Y118-H126 PolarHBondContact N-O 3.21Å; Y118-H126 PolarHBondContact O-N 2.92Å; D120-H126 IonicContact OD2-CD2 3.82Å; D120-H126 IonicContact OD2-CE1 3.8Å; D120-H126 IonicContact OD2-NE2 2.85Å; D120-H126 PolarHBondContact OD2-NE2 2.87Å; I124-H126 PolarHBondContact O-CD2 3.45Å; I124-H126 PolarHBondContact O-NE2 3.49Å; H126-N212 WeakPolarHBondContact CA-OD1 3.18Å |
| 127 | I | 89.7 | Confident | 91.3 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 138.4 | 174.8 | -58.3 | -61.7 | 0 | 0 | 0 | 109.9 | M115 A117 L125 L211 N212 | M115-I127 HydrophobicContact CE-CD1 4.19Å; M115-I127 HydrophobicContact SD-CD1 4.45Å; A117-I127 HydrophobicContact CB-CD1 4.05Å; L125-I127 HydrophobicContact CD2-CD1 3.73Å; L125-I127 HydrophobicContact CD2-CG1 4.25Å; I127-L211 HydrophobicContact CD1-CB 3.95Å; I127-L211 HydrophobicContact CD1-CD1 3.95Å; I127-L211 HydrophobicContact CG1-CB 4.1Å; I127-N212 PolarHBondContact N-OD1 2.97Å |
| 128 | R | 89 | Confident | 91.2 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 11% | 0.109 | 28% | 0.283 | C | S | . | . | trans | -83.8 | 143.4 | 174.7 | -61 | -169.4 | -175.2 | -86.4 | 7 | 111.5 | D91 E116 Y118 R166 E167 N168 | D91-R128 IonicContact OD1-CZ 3.63Å; D91-R128 IonicContact OD1-NE 3.54Å; D91-R128 IonicContact OD1-NH2 2.84Å; D91-R128 PolarHBondContact OD1-NH2 2.85Å; E116-R128 HydrophobicContact CB-CB 4.2Å; E116-R128 HydrophobicContact CB-CG 4.29Å; E116-R128 PolarHBondContact O-N 2.8Å; Y118-R128 HydrophobicContact CD1-CG 4.05Å; R128-R166 VanDerWaalsContact CD-NH1 3.27Å; R128-E167 PolarHBondContact NH1-O 2.92Å; R128-N168 VanDerWaalsContact NH2-C 3.31Å; R128-N168 PolarHBondContact NH2-O 2.05Å | ||
| 129 | D | 81.5 | Confident | 90.9 | Very high | 151 Ų | 151 | 58.7 Ų | 58.7 | 81% | 0.807 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -78.5 | -25.5 | 177.9 | -66.7 | -30.8 | 0 | 0 | 0 | 113.3 | ||
| 130 | S | 84.3 | Confident | 90.4 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -118.8 | 148.1 | 176.5 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | R166 | S130-R166 PolarHBondContact O-NH1 2.92Å; S130-R166 PolarHBondContact O-NH2 2.89Å; S130-R166 PolarHBondContact OG-NH2 3.06Å |
| 131 | I | 83.9 | Confident | 89.7 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | trans | -110.8 | 123.8 | 177.1 | -60.9 | 176.7 | 0 | 0 | 0 | 106.9 | F114 E116 S133 | F114-I131 HydrophobicContact CE1-CG2 4.25Å; E116-I131 HydrophobicContact CG-CG1 4.45Å; E116-I131 HydrophobicContact CG-CG2 4.26Å; E116-I131 VanDerWaalsContact OE1-CG2 3.28Å; E116-I131 WeakPolarHBondContact OE1-CG2 3.38Å; I131-S133 WeakPolarHBondContact CG2-O 3.41Å | ||
| 132 | E | 88.9 | Confident | 88.5 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 56% | 0.561 | 30% | 0.3 | S | S | * | . | trans | -107.4 | -16.6 | 176.2 | -71.9 | 179.3 | -161.4 | 0 | 0 | 112.2 | E116 R166 | E116-E132 PolarHBondContact OE1-N 3.03Å; E116-E132 PolarHBondContact OE2-N 3.45Å; E132-R166 VanDerWaalsContact OE1-CD 3.22Å; E132-R166 WeakPolarHBondContact OE1-CD 3.42Å; E132-R166 WeakPolarHBondContact OE1-CG 3.25Å; E132-R166 IonicContact OE1-CZ 3.6Å; E132-R166 IonicContact OE1-NE 2.95Å; E132-R166 PolarHBondContact OE1-NE 2.71Å; E132-R166 VanDerWaalsContact OE2-CD 3.23Å; E132-R166 WeakPolarHBondContact OE2-CD 3.49Å; E132-R166 WeakPolarHBondContact OE2-CG 3.33Å; E132-R166 IonicContact OE2-NE 3.82Å | ||
| 133 | S | 92 | Very high | 87 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -79.9 | 162.6 | 173.5 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | F114 E116 I131 G159 | F114-S133 VanDerWaalsContact CE1-OG 3.25Å; F114-S133 WeakPolarHBondContact CE1-OG 3.36Å; F114-S133 WeakPolarHBondContact CZ-OG 3.37Å; E116-S133 WeakPolarHBondContact OE1-CB 3.09Å; E116-S133 PolarHBondContact OE1-N 2.84Å; E116-S133 PolarHBondContact OE1-OG 2.86Å; I131-S133 WeakPolarHBondContact CG2-O 3.41Å; S133-G159 CarbonylContact C-O 3.56Å; S133-G159 VanDerWaalsContact CA-O 3.29Å; S133-G159 WeakPolarHBondContact CA-O 3.36Å; S133-G159 WeakPolarHBondContact CB-O 3.34Å |
| 134 | Q | 93.4 | Very high | 85.2 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.3 | 176.9 | -173.4 | 174.7 | -5 | 0 | 0 | 110.3 | W54 Y136 F158 G159 | W54-Q134 HydrophobicContact CZ2-CB 4.03Å; Q134-Y136 HydrophobicContact CB-CE1 4.13Å; Q134-Y136 HydrophobicContact CG-CD1 3.92Å; Q134-Y136 HydrophobicContact CG-CE1 3.64Å; Q134-F158 CarbonylContact O-C 3.56Å; Q134-F158 WeakPolarHBondContact O-CA 3.17Å; Q134-F158 WeakPolarHBondContact O-CB 3.19Å; Q134-G159 PolarHBondContact N-O 2.95Å; Q134-G159 PolarHBondContact O-N 2.99Å |
| 135 | L | 93.9 | Very high | 83.2 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.5 | 167.5 | -177.9 | 74.4 | 0 | 0 | 0 | 109.7 | Y112 F114 V138 F156 F158 | Y112-L135 HydrophobicContact CE2-CD2 4.02Å; F114-L135 HydrophobicContact CB-CD1 4.42Å; F114-L135 HydrophobicContact CB-CD2 3.75Å; F114-L135 HydrophobicContact CB-CG 4.48Å; F114-L135 HydrophobicContact CD1-CB 3.95Å; F114-L135 HydrophobicContact CD2-CD1 3.88Å; F114-L135 HydrophobicContact CE1-CB 4.24Å; F114-L135 HydrophobicContact CE2-CD1 4.25Å; F114-L135 HydrophobicContact CG-CB 4.16Å; F114-L135 HydrophobicContact CG-CD1 4.05Å; F114-L135 HydrophobicContact CG-CD2 4.13Å; F114-L135 HydrophobicContact CG-CG 4.34Å; L135-V138 HydrophobicContact CD1-CG2 4.16Å; L135-V138 HydrophobicContact CD2-CG2 4.13Å; L135-F156 HydrophobicContact CD1-CB 4.22Å; L135-F158 HydrophobicContact CD1-CB 4.34Å |
| 136 | Y | 93.2 | Very high | 81.4 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -52.1 | 179.7 | -54.2 | -66.8 | 0 | 0 | 0 | 112.5 | I23 W54 N56 Q134 N157 F158 | I23-Y136 HydrophobicContact CD1-CD1 4.03Å; I23-Y136 HydrophobicContact CD1-CD2 3.25Å; I23-Y136 HydrophobicContact CD1-CE1 4.08Å; I23-Y136 HydrophobicContact CD1-CE2 3.27Å; I23-Y136 HydrophobicContact CD1-CG 3.59Å; W54-Y136 PolarHBondContact NE1-OH 2.9Å; N56-Y136 HydrophobicContact CB-CE2 4.49Å; N56-Y136 VanDerWaalsContact OD1-CE2 3.22Å; N56-Y136 WeakPolarHBondContact OD1-CE2 3.3Å; N56-Y136 PolarHBondContact OD1-OH 3.42Å; Q134-Y136 HydrophobicContact CB-CE1 4.13Å; Q134-Y136 HydrophobicContact CG-CD1 3.92Å; Q134-Y136 HydrophobicContact CG-CE1 3.64Å; Y136-N157 VanDerWaalsContact CD2-OD1 3.25Å; Y136-N157 WeakPolarHBondContact CD2-OD1 3.48Å; Y136-N157 PolarHBondContact N-O 3.02Å; Y136-F158 VanDerWaalsContact CE2-C 3.47Å |
| 137 | T | 93.1 | Very high | 79.4 | Confident | 44 Ų | 44 | 80.4 Ų | 80.4 | 27% | 0.27 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 147.6 | -175 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | Y20 F156 N157 | Y20-T137 HydrophobicContact CD1-CG2 4.3Å; Y20-T137 HydrophobicContact CE1-CG2 3.97Å; T137-F156 WeakPolarHBondContact O-CA 3.07Å; T137-N157 PolarHBondContact N-O 3.2Å; T137-N157 PolarHBondContact O-N 3.32Å; T137-N157 WeakPolarHBondContact OG1-CB 3.2Å |
| 138 | V | 91.3 | Very high | 77.3 | Confident | 25 Ų | 25 | 84.5 Ų | 84.5 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126 | 163.2 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | L95 Y112 L135 F140 C155 F156 | L95-V138 HydrophobicContact CD1-CB 4.5Å; L95-V138 HydrophobicContact CD1-CG1 3.66Å; L95-V138 HydrophobicContact CD1-CG2 3.96Å; L95-V138 HydrophobicContact CD2-CG2 4.16Å; Y112-V138 HydrophobicContact CD1-CG1 4.4Å; Y112-V138 HydrophobicContact CD2-CG2 4.17Å; Y112-V138 HydrophobicContact CE1-CB 3.88Å; Y112-V138 HydrophobicContact CE1-CG1 4.12Å; Y112-V138 HydrophobicContact CE1-CG2 4.04Å; Y112-V138 HydrophobicContact CE2-CB 4.25Å; Y112-V138 HydrophobicContact CE2-CG2 3.48Å; Y112-V138 VanDerWaalsContact CE2-CG2 3.48Å; Y112-V138 WeakPolarHBondContact OH-CG2 3.38Å; L135-V138 HydrophobicContact CD1-CG2 4.16Å; L135-V138 HydrophobicContact CD2-CG2 4.13Å; V138-F140 HydrophobicContact CB-CE2 4.23Å; V138-F140 HydrophobicContact CG1-CD2 4.07Å; V138-F140 HydrophobicContact CG1-CE2 3.45Å; V138-F140 VanDerWaalsContact CG1-CE2 3.45Å; V138-F140 HydrophobicContact CG1-CZ 3.8Å; V138-C155 CarbonylContact C-O 3.53Å; V138-C155 WeakPolarHBondContact CA-O 3.27Å; V138-F156 HydrophobicContact CG2-CB 4.04Å |
| 139 | Q | 89.1 | Confident | 75.4 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127 | -179.8 | -61.5 | -178.6 | -5.1 | 0 | 0 | 109 | I154 C155 | Q139-I154 WeakPolarHBondContact O-CA 3.47Å; Q139-C155 HydrophobicContact CB-CB 4.31Å; Q139-C155 PolarHBondContact N-O 2.59Å; Q139-C155 PolarHBondContact O-N 3.02Å |
| 140 | F | 83.9 | Confident | 74 | Confident | 36 Ų | 36 | 90.2 Ų | 90.2 | 16% | 0.158 | 46% | 0.456 | C | S | . | . | trans | -109.7 | 145 | 175.3 | -71.1 | -88.9 | 0 | 0 | 0 | 110 | F97 K109 Y112 V138 I154 | F97-F140 AromaticContact CE1-CE1 3.86Å; F97-F140 HydrophobicContact CE1-CE1 3.86Å; F97-F140 AromaticContact CE1-CZ 3.98Å; F97-F140 HydrophobicContact CE1-CZ 3.98Å; F97-F140 HydrophobicContact CZ-CE1 4.46Å; K109-F140 HydrophobicContact CG-CD2 4.06Å; Y112-F140 AromaticContact CD1-CE2 3.86Å; Y112-F140 HydrophobicContact CD1-CE2 3.86Å; Y112-F140 AromaticContact CD1-CZ 3.7Å; Y112-F140 HydrophobicContact CD1-CZ 3.7Å; Y112-F140 AromaticContact CE1-CE2 3.87Å; Y112-F140 HydrophobicContact CE1-CE2 3.87Å; Y112-F140 HydrophobicContact CE1-CZ 4.2Å; V138-F140 HydrophobicContact CB-CE2 4.23Å; V138-F140 HydrophobicContact CG1-CD2 4.07Å; V138-F140 HydrophobicContact CG1-CE2 3.45Å; V138-F140 VanDerWaalsContact CG1-CE2 3.45Å; V138-F140 HydrophobicContact CG1-CZ 3.8Å; F140-I154 HydrophobicContact CD1-CD1 4.26Å; F140-I154 HydrophobicContact CD1-CG1 4.04Å; F140-I154 HydrophobicContact CD1-CG2 4.21Å; F140-I154 HydrophobicContact CE1-CD1 4.37Å; F140-I154 HydrophobicContact CE1-CG1 4.49Å; F140-I154 HydrophobicContact CE1-CG2 4.13Å | ||
| 141 | P | 77.3 | Confident | 72.7 | Confident | 21 Ų | 21 | 92.4 Ų | 92.4 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | trans | -65.1 | 145 | 177.4 | 27.9 | -33.4 | 0 | 0 | 0 | 110.5 | L63 I71 M143 Q152 F153 I154 | L63-P141 HydrophobicContact CD1-CG 3.68Å; I71-P141 HydrophobicContact CD1-CG 3.92Å; P141-M143 PolarHBondContact O-N 3.36Å; P141-Q152 HydrophobicContact CB-CB 3.85Å; P141-Q152 HydrophobicContact CB-CG 4.19Å; P141-Q152 HydrophobicContact CG-CB 4.35Å; P141-F153 WeakPolarHBondContact CD-O 3.35Å; P141-I154 HydrophobicContact CG-CG1 4.36Å | ||
| 142 | N | 68.8 | Low | 72.4 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 60% | 0.599 | 45% | 0.447 | S | S | * | . | trans | -79.7 | 88.1 | 179.6 | -166.3 | -3.4 | 0 | 0 | 0 | 110.7 | R144 N145 | N142-R144 PolarHBondContact O-N 3.13Å; N142-N145 PolarHBondContact O-N 3.24Å; N142-N145 VanDerWaalsContact O-N 3.11Å | ||
| 143 | M | 61 | Low | 72.2 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 22% | 0.222 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -7.8 | -177.1 | -70.6 | -89.1 | -99.8 | 0 | 0 | 115.4 | Q68 I71 P141 I146 | Q68-M143 HydrophobicContact CB-CE 4.21Å; Q68-M143 HydrophobicContact CG-CE 3.9Å; Q68-M143 HydrophobicContact CG-SD 4.35Å; I71-M143 HydrophobicContact CD1-CE 3.81Å; I71-M143 HydrophobicContact CD1-CG 4.4Å; I71-M143 HydrophobicContact CD1-SD 3.68Å; P141-M143 PolarHBondContact O-N 3.36Å; M143-I146 WeakPolarHBondContact O-CD1 3.25Å; M143-I146 WeakPolarHBondContact O-CG1 3.3Å |
| 144 | R | 57.4 | Low | 72 | Confident | 231 Ų | 231 | 85.9 Ų | 85.9 | 87% | 0.872 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -14 | 177.6 | -66.3 | -173.8 | -171.3 | 174 | 4.7 | 113.9 | N142 | N142-R144 PolarHBondContact O-N 3.13Š|
| 145 | N | 52.3 | Low | 72 | Confident | 121 Ų | 121 | 81.7 Ų | 81.7 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | trans | -117.1 | 60.1 | -178.6 | -91.5 | -1.3 | 0 | 0 | 0 | 111.3 | N142 N147 | N142-N145 PolarHBondContact O-N 3.24Å; N142-N145 VanDerWaalsContact O-N 3.11Å; N145-N147 PolarHBondContact O-N 3.08Å | ||
| 146 | I | 52.8 | Low | 72.1 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.6 | -176.6 | -59.3 | 174.2 | 0 | 0 | 0 | 112.5 | M143 N148 | M143-I146 WeakPolarHBondContact O-CD1 3.25Å; M143-I146 WeakPolarHBondContact O-CG1 3.3Å; I146-N148 PolarHBondContact O-N 3.08Å |
| 147 | N | 51.3 | Low | 72.2 | Confident | 156 Ų | 156 | 77.5 Ų | 77.5 | 83% | 0.834 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.9 | -169.6 | -73.2 | -7.6 | 0 | 0 | 0 | 116.1 | N145 | N145-N147 PolarHBondContact O-N 3.08Š|
| 148 | N | 45.2 | Very low | 72.4 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 60% | 0.599 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -105.7 | 138 | 172.8 | -77.3 | -3.9 | 0 | 0 | 0 | 109.5 | I146 D150 | I146-N148 PolarHBondContact O-N 3.08Å; N148-D150 PolarHBondContact O-N 2.9Å |
| 149 | N | 48.5 | Very low | 72.6 | Confident | 177 Ų | 177 | 74.2 Ų | 74.2 | 95% | 0.947 | 37% | 0.367 | S | S | * | . | trans | -58.7 | 20.9 | 173.3 | -85.7 | -7.9 | 0 | 0 | 0 | 114.4 | Q151 | N149-Q151 PolarHBondContact O-N 2.84Š| ||
| 150 | D | 52.2 | Low | 72.8 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 66% | 0.658 | 34% | 0.343 | S | S | * | . | trans | -72.9 | 110.8 | 175 | -66.5 | -30.4 | 0 | 0 | 0 | 108 | N148 Q152 | N148-D150 PolarHBondContact O-N 2.9Å; D150-Q152 PolarHBondContact O-N 2.86Å | ||
| 151 | Q | 56.8 | Low | 73.3 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -47.6 | 122.6 | 174.7 | -77 | -179.7 | -35.9 | 0 | 0 | 110.1 | N149 F153 | N149-Q151 PolarHBondContact O-N 2.84Å; Q151-F153 HydrophobicContact CB-CD2 3.96Å; Q151-F153 HydrophobicContact CB-CE2 3.34Å; Q151-F153 HydrophobicContact CB-CZ 4.08Å; Q151-F153 HydrophobicContact CG-CE2 4.3Å; Q151-F153 WeakPolarHBondContact O-CD2 3.3Å; Q151-F153 PolarHBondContact O-N 3.39Å | ||
| 152 | Q | 77.2 | Confident | 74 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | trans | -88.4 | 101.3 | -172.7 | -67.8 | -167.9 | 10.6 | 0 | 0 | 109.9 | L63 P141 D150 | L63-Q152 PolarHBondContact N-O 3.48Å; P141-Q152 HydrophobicContact CB-CB 3.85Å; P141-Q152 HydrophobicContact CB-CG 4.19Å; P141-Q152 HydrophobicContact CG-CB 4.35Å; D150-Q152 PolarHBondContact O-N 2.86Å | ||
| 153 | F | 84.7 | Confident | 75 | Confident | 40 Ų | 40 | 65 Ų | 65 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 141.2 | 176.6 | -66.2 | -87.9 | 0 | 0 | 0 | 111.9 | K38 C60 Y61 H62 P141 Q151 | K38-F153 HydrophobicContact CB-CD1 4.5Å; K38-F153 HydrophobicContact CB-CE1 4.02Å; K38-F153 HydrophobicContact CB-CZ 4.43Å; C60-F153 HydrophobicContact CB-CB 4.13Å; C60-F153 HydrophobicContact CB-CD1 3.78Å; C60-F153 HydrophobicContact CB-CG 4.21Å; Y61-F153 VanDerWaalsContact O-CA 3.3Å; Y61-F153 WeakPolarHBondContact O-CA 3.31Å; H62-F153 HydrophobicContact CB-CD1 3.85Å; H62-F153 HydrophobicContact CB-CE1 3.52Å; H62-F153 HydrophobicContact CB-CZ 4.13Å; H62-F153 AromaticContact CD2-CZ 3.96Å; P141-F153 WeakPolarHBondContact CD-O 3.35Å; Q151-F153 HydrophobicContact CB-CD2 3.96Å; Q151-F153 HydrophobicContact CB-CE2 3.34Å; Q151-F153 HydrophobicContact CB-CZ 4.08Å; Q151-F153 HydrophobicContact CG-CE2 4.3Å; Q151-F153 WeakPolarHBondContact O-CD2 3.3Å; Q151-F153 PolarHBondContact O-N 3.39Å |
| 154 | I | 89.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.6 | 153.7 | -63 | 164.2 | 0 | 0 | 0 | 106.7 | C60 Y61 L63 I71 L74 F77 F97 Q139 F140 P141 | C60-I154 CarbonylContact C-O 3.57Å; C60-I154 VanDerWaalsContact CA-O 3.25Å; C60-I154 WeakPolarHBondContact CA-O 3.22Å; Y61-I154 PolarHBondContact N-O 3.31Å; Y61-I154 PolarHBondContact O-N 3.08Å; L63-I154 HydrophobicContact CD1-CD1 3.77Å; L63-I154 HydrophobicContact CD1-CG1 3.68Å; L63-I154 HydrophobicContact CD2-CD1 4.18Å; L63-I154 HydrophobicContact CG-CD1 4.36Å; I71-I154 HydrophobicContact CG1-CD1 4.28Å; I71-I154 HydrophobicContact CG2-CD1 4.46Å; L74-I154 HydrophobicContact CD2-CD1 4.07Å; F77-I154 HydrophobicContact CE1-CB 4.36Å; F77-I154 HydrophobicContact CE1-CG2 3.84Å; F77-I154 HydrophobicContact CZ-CB 4.28Å; F77-I154 HydrophobicContact CZ-CG2 3.84Å; F97-I154 HydrophobicContact CZ-CG2 4.44Å; Q139-I154 WeakPolarHBondContact O-CA 3.47Å; F140-I154 HydrophobicContact CD1-CD1 4.26Å; F140-I154 HydrophobicContact CD1-CG1 4.04Å; F140-I154 HydrophobicContact CD1-CG2 4.21Å; F140-I154 HydrophobicContact CE1-CD1 4.37Å; F140-I154 HydrophobicContact CE1-CG1 4.49Å; F140-I154 HydrophobicContact CE1-CG2 4.13Å; P141-I154 HydrophobicContact CG-CG1 4.36Å |
| 155 | C | 92.7 | Very high | 77.6 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.4 | -180 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | N58 V59 C60 V138 Q139 | N58-C155 WeakPolarHBondContact OD1-CB 3.43Å; V59-C155 CarbonylContact O-C 3.59Å; V59-C155 WeakPolarHBondContact O-CA 3.29Å; C60-C155 HydrophobicContact CB-CB 4.07Å; C60-C155 WeakPolarHBondContact CB-SG 3.36Å; C60-C155 WeakPolarHBondContact SG-CB 3.17Å; C60-C155 CovalentContact SG-SG 2.04Å; C60-C155 PolarHBondContact SG-SG 2.74Å; V138-C155 CarbonylContact C-O 3.53Å; V138-C155 WeakPolarHBondContact CA-O 3.27Å; Q139-C155 HydrophobicContact CB-CB 4.31Å; Q139-C155 PolarHBondContact N-O 2.59Å; Q139-C155 PolarHBondContact O-N 3.02Å |
| 156 | F | 95.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.4 | 164.7 | 67.3 | -83.3 | 0 | 0 | 0 | 110.8 | V59 F77 I79 L95 F114 L135 T137 V138 F158 | V59-F156 HydrophobicContact CB-CD1 4.12Å; V59-F156 HydrophobicContact CB-CE1 3.64Å; V59-F156 HydrophobicContact CB-CE2 4.26Å; V59-F156 HydrophobicContact CB-CZ 3.71Å; V59-F156 HydrophobicContact CG1-CE1 3.8Å; V59-F156 HydrophobicContact CG1-CZ 4.02Å; V59-F156 HydrophobicContact CG2-CE1 4.44Å; V59-F156 HydrophobicContact CG2-CE2 4.28Å; V59-F156 HydrophobicContact CG2-CZ 4Å; V59-F156 PolarHBondContact N-O 3.12Å; V59-F156 PolarHBondContact O-N 3.42Å; F77-F156 HydrophobicContact CD2-CD1 4.37Å; F77-F156 AromaticContact CD2-CE1 3.91Å; F77-F156 HydrophobicContact CD2-CE1 3.91Å; F77-F156 HydrophobicContact CE1-CD1 4.42Å; F77-F156 AromaticContact CE2-CD1 3.5Å; F77-F156 HydrophobicContact CE2-CD1 3.5Å; F77-F156 VanDerWaalsContact CE2-CD1 3.5Å; F77-F156 AromaticContact CE2-CE1 3.45Å; F77-F156 HydrophobicContact CE2-CE1 3.45Å; F77-F156 VanDerWaalsContact CE2-CE1 3.45Å; F77-F156 AromaticContact CZ-CD1 3.53Å; F77-F156 HydrophobicContact CZ-CD1 3.53Å; F77-F156 AromaticContact CZ-CE1 3.92Å; F77-F156 HydrophobicContact CZ-CE1 3.92Å; I79-F156 HydrophobicContact CG2-CZ 4.48Å; L95-F156 HydrophobicContact CD1-CB 3.66Å; L95-F156 HydrophobicContact CD1-CD1 3.91Å; L95-F156 HydrophobicContact CD1-CG 4.05Å; L95-F156 HydrophobicContact CD2-CB 4.42Å; L95-F156 HydrophobicContact CG-CB 3.92Å; L95-F156 HydrophobicContact CG-CD1 3.79Å; L95-F156 HydrophobicContact CG-CE1 4.44Å; L95-F156 HydrophobicContact CG-CG 3.88Å; F114-F156 HydrophobicContact CD2-CD2 4.28Å; F114-F156 HydrophobicContact CD2-CE2 4.5Å; F114-F156 HydrophobicContact CE2-CD2 4.01Å; F114-F156 AromaticContact CE2-CE2 3.98Å; F114-F156 HydrophobicContact CE2-CE2 3.98Å; L135-F156 HydrophobicContact CD1-CB 4.22Å; T137-F156 WeakPolarHBondContact O-CA 3.07Å; V138-F156 HydrophobicContact CG2-CB 4.04Å; F156-F158 AromaticContact CD2-CD1 3.64Å; F156-F158 HydrophobicContact CD2-CD1 3.64Å; F156-F158 HydrophobicContact CD2-CE1 4.27Å; F156-F158 HydrophobicContact CD2-CG 4.4Å; F156-F158 AromaticContact CE2-CD1 3.43Å; F156-F158 HydrophobicContact CE2-CD1 3.43Å; F156-F158 VanDerWaalsContact CE2-CD1 3.43Å; F156-F158 AromaticContact CE2-CE1 3.61Å; F156-F158 HydrophobicContact CE2-CE1 3.61Å; F156-F158 HydrophobicContact CE2-CG 4.33Å; F156-F158 HydrophobicContact CZ-CE1 4.44Å |
| 157 | N | 96.2 | Very high | 80.7 | Confident | 14 Ų | 14 | 56 Ų | 56 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.7 | 178.1 | -170.5 | -26.5 | 0 | 0 | 0 | 108.6 | H25 F57 Y136 T137 | H25-N157 PolarHBondContact NE2-ND2 3.31Å; F57-N157 CarbonylContact O-C 3.54Å; F57-N157 WeakPolarHBondContact O-CA 3.15Å; F57-N157 PolarHBondContact O-OD1 2.93Å; Y136-N157 VanDerWaalsContact CD2-OD1 3.25Å; Y136-N157 WeakPolarHBondContact CD2-OD1 3.48Å; Y136-N157 PolarHBondContact N-O 3.02Å; T137-N157 PolarHBondContact N-O 3.2Å; T137-N157 PolarHBondContact O-N 3.32Å; T137-N157 WeakPolarHBondContact OG1-CB 3.2Å |
| 158 | F | 96.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 157.1 | -179.5 | 78.9 | -77.3 | 0 | 0 | 0 | 111.4 | N56 F57 V59 I79 F81 Y93 F114 Q134 L135 Y136 F156 R160 | N56-F158 WeakPolarHBondContact CA-O 2.87Å; F57-F158 HydrophobicContact CB-CD1 3.95Å; F57-F158 HydrophobicContact CB-CE1 3.5Å; F57-F158 HydrophobicContact CB-CZ 3.96Å; F57-F158 HydrophobicContact CD2-CE1 4.21Å; F57-F158 HydrophobicContact CD2-CE2 4.07Å; F57-F158 AromaticContact CD2-CZ 3.76Å; F57-F158 HydrophobicContact CD2-CZ 3.76Å; F57-F158 HydrophobicContact CG-CE1 4.12Å; F57-F158 HydrophobicContact CG-CZ 4.06Å; F57-F158 PolarHBondContact N-O 2.96Å; F57-F158 PolarHBondContact O-N 2.9Å; V59-F158 HydrophobicContact CG2-CE1 3.95Å; I79-F158 HydrophobicContact CG2-CE1 3.9Å; I79-F158 HydrophobicContact CG2-CZ 3.79Å; F81-F158 HydrophobicContact CE2-CZ 4.46Å; Y93-F158 AromaticContact CD1-CD2 3.97Å; Y93-F158 HydrophobicContact CD1-CD2 3.97Å; Y93-F158 AromaticContact CD1-CE2 3.57Å; Y93-F158 HydrophobicContact CD1-CE2 3.57Å; Y93-F158 HydrophobicContact CD1-CZ 4.31Å; Y93-F158 AromaticContact CD2-CE2 3.8Å; Y93-F158 HydrophobicContact CD2-CE2 3.8Å; Y93-F158 AromaticContact CD2-CZ 3.91Å; Y93-F158 HydrophobicContact CD2-CZ 3.91Å; Y93-F158 HydrophobicContact CE1-CD2 4.49Å; Y93-F158 HydrophobicContact CE1-CE2 4.04Å; Y93-F158 HydrophobicContact CE2-CE2 4.23Å; Y93-F158 HydrophobicContact CG-CD2 4.2Å; Y93-F158 AromaticContact CG-CE2 3.44Å; Y93-F158 HydrophobicContact CG-CE2 3.44Å; Y93-F158 VanDerWaalsContact CG-CE2 3.44Å; Y93-F158 AromaticContact CG-CZ 3.72Å; Y93-F158 HydrophobicContact CG-CZ 3.72Å; F114-F158 HydrophobicContact CE2-CB 4.14Å; F114-F158 HydrophobicContact CE2-CG 4.21Å; F114-F158 HydrophobicContact CZ-CB 3.96Å; F114-F158 HydrophobicContact CZ-CD2 4.11Å; F114-F158 HydrophobicContact CZ-CG 4.09Å; Q134-F158 CarbonylContact O-C 3.56Å; Q134-F158 WeakPolarHBondContact O-CA 3.17Å; Q134-F158 WeakPolarHBondContact O-CB 3.19Å; L135-F158 HydrophobicContact CD1-CB 4.34Å; Y136-F158 VanDerWaalsContact CE2-C 3.47Å; F156-F158 AromaticContact CD2-CD1 3.64Å; F156-F158 HydrophobicContact CD2-CD1 3.64Å; F156-F158 HydrophobicContact CD2-CE1 4.27Å; F156-F158 HydrophobicContact CD2-CG 4.4Å; F156-F158 AromaticContact CE2-CD1 3.43Å; F156-F158 HydrophobicContact CE2-CD1 3.43Å; F156-F158 VanDerWaalsContact CE2-CD1 3.43Å; F156-F158 AromaticContact CE2-CE1 3.61Å; F156-F158 HydrophobicContact CE2-CE1 3.61Å; F156-F158 HydrophobicContact CE2-CG 4.33Å; F156-F158 HydrophobicContact CZ-CE1 4.44Å; F158-R160 HydrophobicContact CE2-CG 4.21Å |
| 159 | G | 95.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W54 L55 S133 Q134 | W54-G159 WeakPolarHBondContact CZ2-O 3.41Å; L55-G159 CarbonylContact O-C 3.57Å; L55-G159 VanDerWaalsContact O-CA 3.23Å; L55-G159 WeakPolarHBondContact O-CA 3.34Å; S133-G159 CarbonylContact C-O 3.56Å; S133-G159 VanDerWaalsContact CA-O 3.29Å; S133-G159 WeakPolarHBondContact CA-O 3.36Å; S133-G159 WeakPolarHBondContact CB-O 3.34Å; Q134-G159 PolarHBondContact N-O 2.95Å; Q134-G159 PolarHBondContact O-N 2.99Å |
| 160 | R | 94.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.8 | 173.4 | 59.6 | 157.7 | -71 | 164.8 | -7.8 | 111.5 | L55 F57 D91 Y93 F158 A162 Y170 | L55-R160 PolarHBondContact N-O 3.35Å; L55-R160 PolarHBondContact O-N 3.41Å; F57-R160 HydrophobicContact CD2-CG 4.34Å; F57-R160 HydrophobicContact CE2-CG 3.85Å; D91-R160 IonicContact OD2-CZ 3.77Å; D91-R160 IonicContact OD2-NH1 2.75Å; D91-R160 PolarHBondContact OD2-NH1 2.88Å; Y93-R160 WeakPolarHBondContact OH-CD 3.38Å; Y93-R160 PolarHBondContact OH-NH1 3.22Å; F158-R160 HydrophobicContact CE2-CG 4.21Å; R160-A162 PolarHBondContact NH2-O 2.82Å; R160-Y170 PolarHBondContact NH2-O 3.49Å |
| 161 | M | 92.8 | Very high | 88.5 | Confident | 65 Ų | 65 | 33.6 Ų | 33.6 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 141.8 | 167.7 | -67.8 | -71.9 | -74.1 | 0 | 0 | 111 | M52 W54 T163 | M52-M161 HydrophobicContact CB-CE 3.55Å; M52-M161 HydrophobicContact CE-CE 3.9Å; M52-M161 HydrophobicContact CG-CE 3.7Å; M52-M161 HydrophobicContact SD-CE 3.61Å; W54-M161 HydrophobicContact CE3-CG 3.82Å; W54-M161 HydrophobicContact CE3-SD 3.45Å; W54-M161 HydrophobicContact CZ3-CG 3.64Å; W54-M161 HydrophobicContact CZ3-SD 3.76Å; M161-T163 WeakPolarHBondContact CB-O 3.4Å |
| 162 | A | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -60.9 | -53.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K53 L55 R160 S171 I172 I229 | K53-A162 HydrophobicContact CB-CB 3.86Å; K53-A162 VanDerWaalsContact O-CB 3.25Å; K53-A162 WeakPolarHBondContact O-CB 3.49Å; K53-A162 PolarHBondContact O-N 3.34Å; L55-A162 VanDerWaalsContact CD1-CA 3.44Å; L55-A162 HydrophobicContact CD1-CB 3.54Å; R160-A162 PolarHBondContact NH2-O 2.82Å; A162-S171 CarbonylContact O-C 3.45Å; A162-S171 WeakPolarHBondContact O-CA 3.26Å; A162-I172 PolarHBondContact O-N 3.24Å; A162-I229 HydrophobicContact CB-CD1 3.94Å |
| 163 | T | 90.1 | Very high | 90.8 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 10% | 0.098 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -81.2 | 129.1 | 176.6 | -47.7 | 0 | 0 | 0 | 0 | 110.2 | M161 E624 | M161-T163 WeakPolarHBondContact CB-O 3.4Å; T163-E624 HydrophobicContact CG2-CB 4.01Å; T163-E624 WeakPolarHBondContact CG2-OE2 3.48Å; T163-E624 PolarHBondContact OG1-OE2 3.06Å |
| 164 | S | 88.1 | Confident | 91.1 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | trans | -123.7 | 121.5 | 173.7 | 169 | 0 | 0 | 0 | 0 | 109.4 | Y170 S171 | S164-Y170 WeakPolarHBondContact CB-O 3.35Å; S164-S171 PolarHBondContact N-OG 2.82Å; S164-S171 PolarHBondContact O-OG 2.84Å; S164-S171 VanDerWaalsContact O-OG 3.09Å | ||
| 165 | C | 84.8 | Confident | 91.2 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 53% | 0.527 | 16% | 0.163 | S | C | . | . | trans | -99.7 | 8.6 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 113.2 | C625 | C165-C625 WeakPolarHBondContact CA-SG 3.07Å; C165-C625 HydrophobicContact CB-CB 3.86Å; C165-C625 WeakPolarHBondContact CB-SG 3.26Å; C165-C625 WeakPolarHBondContact SG-CA 3.05Å; C165-C625 WeakPolarHBondContact SG-CB 3.5Å; C165-C625 CovalentContact SG-SG 2.05Å; C165-C625 PolarHBondContact SG-SG 3.41Å | ||
| 166 | R | 86.2 | Confident | 91.3 | Very high | 43 Ų | 43 | 29.4 Ų | 29.4 | 16% | 0.162 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -72.4 | 149.2 | 177.5 | -54.7 | -178.6 | 90.3 | -177.4 | -4.1 | 111.2 | E116 R128 S130 E132 N168 G169 | E116-R166 IonicContact OE2-CZ 3.77Å; E116-R166 IonicContact OE2-NH1 2.59Å; E116-R166 PolarHBondContact OE2-NH1 2.89Å; R128-R166 VanDerWaalsContact CD-NH1 3.27Å; S130-R166 PolarHBondContact O-NH1 2.92Å; S130-R166 PolarHBondContact O-NH2 2.89Å; S130-R166 PolarHBondContact OG-NH2 3.06Å; E132-R166 VanDerWaalsContact OE1-CD 3.22Å; E132-R166 WeakPolarHBondContact OE1-CD 3.42Å; E132-R166 WeakPolarHBondContact OE1-CG 3.25Å; E132-R166 IonicContact OE1-CZ 3.6Å; E132-R166 IonicContact OE1-NE 2.95Å; E132-R166 PolarHBondContact OE1-NE 2.71Å; E132-R166 VanDerWaalsContact OE2-CD 3.23Å; E132-R166 WeakPolarHBondContact OE2-CD 3.49Å; E132-R166 WeakPolarHBondContact OE2-CG 3.33Å; E132-R166 IonicContact OE2-NE 3.82Å; R166-N168 PolarHBondContact O-N 2.84Å; R166-G169 WeakPolarHBondContact O-CA 3.36Å; R166-G169 PolarHBondContact O-N 2.98Å |
| 167 | E | 84.1 | Confident | 91.3 | Very high | 165 Ų | 165 | 29.4 Ų | 29.4 | 77% | 0.771 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 132.3 | 167.1 | -166.9 | -179.6 | 179.7 | 0 | 0 | 110 | R128 G169 | R128-E167 PolarHBondContact NH1-O 2.92Å; E167-G169 PolarHBondContact O-N 3.12Å; E167-G169 VanDerWaalsContact O-N 3.08Å |
| 168 | N | 86.9 | Confident | 91.2 | Very high | 59 Ų | 59 | 29 Ų | 29 | 32% | 0.316 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.8 | -171.5 | -52.8 | -51.7 | 0 | 0 | 0 | 114.2 | Y118 R128 R166 | Y118-N168 HydrophobicContact CD1-CB 4.44Å; Y118-N168 HydrophobicContact CD2-CB 3.52Å; Y118-N168 HydrophobicContact CE2-CB 3.99Å; Y118-N168 VanDerWaalsContact CE2-ND2 3.27Å; Y118-N168 WeakPolarHBondContact CE2-ND2 3.46Å; Y118-N168 HydrophobicContact CG-CB 3.78Å; R128-N168 VanDerWaalsContact NH2-C 3.31Å; R128-N168 PolarHBondContact NH2-O 2.05Å; R166-N168 PolarHBondContact O-N 2.84Å |
| 169 | G | 89.8 | Confident | 91.2 | Very high | 24 Ų | 24 | 29 Ų | 29 | 25% | 0.247 | 16% | 0.157 | C | C | . | . | trans | -78.1 | 159.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R166 E167 | R166-G169 WeakPolarHBondContact O-CA 3.36Å; R166-G169 PolarHBondContact O-N 2.98Å; E167-G169 PolarHBondContact O-N 3.12Å; E167-G169 VanDerWaalsContact O-N 3.08Å | ||
| 170 | Y | 92.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | trans | -117.2 | 130.1 | 175.2 | -178.7 | -99.4 | 0 | 0 | 0 | 109.8 | F81 G82 K83 D91 R160 S164 I172 T177 Y470 | F81-Y170 HydrophobicContact CB-CD1 3.6Å; F81-Y170 HydrophobicContact CB-CE1 4.13Å; F81-Y170 HydrophobicContact CB-CG 4.18Å; G82-Y170 VanDerWaalsContact C-CE2 3.45Å; G82-Y170 WeakPolarHBondContact O-CE2 3.32Å; G82-Y170 PolarHBondContact O-OH 2.72Å; K83-Y170 HydrophobicContact CG-CD2 4.03Å; K83-Y170 HydrophobicContact CG-CE2 3.62Å; D91-Y170 PolarHBondContact OD2-N 2.88Å; R160-Y170 PolarHBondContact NH2-O 3.49Å; S164-Y170 WeakPolarHBondContact CB-O 3.35Å; Y170-I172 HydrophobicContact CD1-CG1 3.74Å; Y170-I172 HydrophobicContact CE1-CB 4.47Å; Y170-I172 HydrophobicContact CE1-CG1 3.75Å; Y170-T177 HydrophobicContact CE1-CG2 3.79Å; Y170-Y470 HydrophobicContact CE2-CE2 4.27Å | ||
| 171 | S | 92.5 | Very high | 91.3 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | -94.3 | 122 | 173 | -66 | 0 | 0 | 0 | 0 | 109.9 | A162 S164 N622 | A162-S171 CarbonylContact O-C 3.45Å; A162-S171 WeakPolarHBondContact O-CA 3.26Å; S164-S171 PolarHBondContact N-OG 2.82Å; S164-S171 PolarHBondContact O-OG 2.84Å; S164-S171 VanDerWaalsContact O-OG 3.09Å; S171-N622 PolarHBondContact OG-ND2 3.31Å | ||
| 172 | I | 92.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | trans | -87 | 119.8 | 176.3 | -59.7 | 169.5 | 0 | 0 | 0 | 107.3 | L55 F57 F81 A162 Y170 L228 I229 | L55-I172 HydrophobicContact CD1-CB 4.2Å; L55-I172 HydrophobicContact CD1-CD1 4.19Å; L55-I172 HydrophobicContact CD1-CG2 4.26Å; L55-I172 HydrophobicContact CD2-CG2 4.46Å; F57-I172 HydrophobicContact CZ-CD1 4.13Å; F81-I172 HydrophobicContact CD1-CD1 4.08Å; F81-I172 HydrophobicContact CD2-CD1 4.5Å; F81-I172 HydrophobicContact CE1-CD1 4.16Å; F81-I172 HydrophobicContact CG-CD1 4.24Å; F81-I172 HydrophobicContact CZ-CD1 4.41Å; A162-I172 PolarHBondContact O-N 3.24Å; Y170-I172 HydrophobicContact CD1-CG1 3.74Å; Y170-I172 HydrophobicContact CE1-CB 4.47Å; Y170-I172 HydrophobicContact CE1-CG1 3.75Å; I172-L228 HydrophobicContact CD1-CD1 3.9Å; I172-L228 HydrophobicContact CG1-CD1 4.38Å; I172-L228 HydrophobicContact CG2-CB 3.74Å; I172-L228 HydrophobicContact CG2-CD1 3.89Å; I172-L228 HydrophobicContact CG2-CG 4.42Å; I172-I229 HydrophobicContact CG2-CD1 4.14Å; I172-I229 HydrophobicContact CG2-CG1 4.07Å; I172-I229 WeakPolarHBondContact O-CD1 3.39Å | ||
| 173 | N | 89.9 | Confident | 91.4 | Very high | 43 Ų | 43 | 27 Ų | 27 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | trans | -123.8 | -164.5 | 176.3 | 59.8 | 26 | 0 | 0 | 0 | 110 | Q175 | N173-Q175 PolarHBondContact ND2-NE2 2.75Å; N173-Q175 VanDerWaalsContact ND2-NE2 3.1Å; N173-Q175 PolarHBondContact O-N 2.7Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.25Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.47Å; N173-Q175 PolarHBondContact OD1-N 2.86Å | ||
| 174 | N | 89.3 | Confident | 91.3 | Very high | 59 Ų | 59 | 27.3 Ų | 27.3 | 32% | 0.316 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -78.8 | 11.1 | 179.3 | 66.7 | -1.4 | 0 | 0 | 0 | 114.1 | Q227 D482 | N174-Q227 WeakPolarHBondContact O-CG 3.36Å; N174-Q227 PolarHBondContact O-NE2 2.78Å; N174-D482 PolarHBondContact ND2-OD2 2.83Å; N174-D482 VanDerWaalsContact ND2-OD2 3.07Å |
| 175 | Q | 92.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -91.9 | 179.2 | 177.4 | -51.8 | -179.7 | 41.6 | 0 | 0 | 111.3 | N173 T177 R467 N469 Y470 | N173-Q175 PolarHBondContact ND2-NE2 2.75Å; N173-Q175 VanDerWaalsContact ND2-NE2 3.1Å; N173-Q175 PolarHBondContact O-N 2.7Å; N173-Q175 WeakPolarHBondContact OD1-CB 3.25Å; N173-Q175 WeakPolarHBondContact OD1-CG 3.47Å; N173-Q175 PolarHBondContact OD1-N 2.86Å; Q175-T177 PolarHBondContact O-N 2.86Å; Q175-R467 WeakPolarHBondContact CG-O 3.33Å; Q175-N469 VanDerWaalsContact OE1-CB 3.28Å; Q175-Y470 HydrophobicContact CB-CD2 4.48Å |
| 176 | T | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -65.9 | 131.8 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | L225 D468 Y470 F475 R479 | T176-L225 HydrophobicContact CG2-CB 4.2Å; T176-L225 HydrophobicContact CG2-CD2 4.27Å; T176-D468 WeakPolarHBondContact CB-OD2 3.01Å; T176-D468 PolarHBondContact N-OD1 3.24Å; T176-D468 PolarHBondContact N-OD2 2.8Å; T176-D468 PolarHBondContact OG1-OD2 2.8Å; T176-Y470 WeakPolarHBondContact CB-O 3.46Å; T176-Y470 VanDerWaalsContact O-CB 3.32Å; T176-Y470 WeakPolarHBondContact O-CB 3.48Å; T176-Y470 WeakPolarHBondContact O-CD2 3.33Å; T176-F475 HydrophobicContact CG2-CD1 3.8Å; T176-F475 HydrophobicContact CG2-CE1 4.31Å; T176-R479 PolarHBondContact OG1-NH2 3.34Å | ||
| 177 | T | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128 | 169.6 | -57.9 | 0 | 0 | 0 | 0 | 108.9 | F81 Y170 Q175 L226 L228 | F81-T177 HydrophobicContact CB-CG2 4.23Å; F81-T177 HydrophobicContact CD1-CG2 3.88Å; Y170-T177 HydrophobicContact CE1-CG2 3.79Å; Q175-T177 PolarHBondContact O-N 2.86Å; T177-L226 WeakPolarHBondContact CA-O 3.1Å; T177-L226 WeakPolarHBondContact CB-O 3.18Å; T177-L226 PolarHBondContact N-O 2.98Å; T177-L226 PolarHBondContact O-N 2.68Å; T177-L226 VanDerWaalsContact O-N 3.11Å; T177-L228 HydrophobicContact CG2-CD1 3.8Å |
| 178 | H | 95.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 109.7 | 172.3 | -68.1 | -126.5 | 0 | 0 | 0 | 107.9 | G82 Y84 D85 F180 L225 Y470 | G82-H178 PolarHBondContact N-O 2.74Å; G82-H178 WeakPolarHBondContact O-CB 3.28Å; G82-H178 PolarHBondContact O-N 2.85Å; G82-H178 VanDerWaalsContact O-N 3.16Å; Y84-H178 WeakPolarHBondContact O-CB 3.45Å; Y84-H178 PolarHBondContact O-ND1 3.16Å; D85-H178 PolarHBondContact N-ND1 2.77Å; D85-H178 IonicContact OD1-CE1 3.18Å; D85-H178 PolarHBondContact OD1-CE1 3.03Å; D85-H178 VanDerWaalsContact OD1-CE1 3.29Å; D85-H178 IonicContact OD1-ND1 2.72Å; D85-H178 PolarHBondContact OD1-ND1 3.48Å; H178-F180 HydrophobicContact CB-CE2 4.13Å; H178-L225 HydrophobicContact CB-CD2 4.16Å; H178-L225 WeakPolarHBondContact ND1-CD2 3.05Å; H178-Y470 PolarHBondContact NE2-O 2.78Å |
| 179 | L | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.1 | -171.3 | -173.9 | 152 | 0 | 0 | 0 | 110.3 | L39 I79 G80 F81 L181 K223 I224 L226 L228 | L39-L179 HydrophobicContact CD2-CD1 3.69Å; L39-L179 HydrophobicContact CD2-CD2 4.15Å; I79-L179 HydrophobicContact CD1-CD1 3.61Å; I79-L179 HydrophobicContact CD1-CD2 3.98Å; I79-L179 HydrophobicContact CD1-CG 3.91Å; I79-L179 HydrophobicContact CG1-CD1 4.16Å; I79-L179 HydrophobicContact CG1-CD2 4.02Å; I79-L179 HydrophobicContact CG1-CG 3.92Å; G80-L179 CarbonylContact O-C 3.57Å; G80-L179 WeakPolarHBondContact O-CA 3.27Å; F81-L179 HydrophobicContact CD1-CD1 4.06Å; F81-L179 HydrophobicContact CD1-CG 4.35Å; F81-L179 HydrophobicContact CE1-CD1 3.68Å; F81-L179 HydrophobicContact CE1-CG 4.32Å; L179-L181 HydrophobicContact CD2-CD1 4.32Å; L179-L181 HydrophobicContact CD2-CD2 3.96Å; L179-L181 HydrophobicContact CD2-CG 3.68Å; L179-K223 CarbonylContact O-C 3.58Å; L179-K223 WeakPolarHBondContact O-CA 3.34Å; L179-I224 WeakPolarHBondContact CA-O 3.42Å; L179-I224 WeakPolarHBondContact CB-O 3.21Å; L179-I224 HydrophobicContact CD2-CB 4.37Å; L179-I224 HydrophobicContact CD2-CD1 3.97Å; L179-I224 PolarHBondContact N-O 3.22Å; L179-I224 PolarHBondContact O-N 3.12Å; L179-L226 HydrophobicContact CD1-CD1 4.23Å; L179-L228 HydrophobicContact CD1-CD2 4.5Å |
| 180 | F | 96.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.1 | -179 | -64.2 | -96.7 | 0 | 0 | 0 | 109.3 | I79 G80 Y84 P87 L90 H178 Y221 K222 K223 | I79-F180 CarbonylContact C-O 3.51Å; I79-F180 VanDerWaalsContact CA-O 3.29Å; I79-F180 WeakPolarHBondContact CA-O 3.49Å; G80-F180 PolarHBondContact N-O 3.13Å; G80-F180 PolarHBondContact O-N 3.43Å; Y84-F180 WeakPolarHBondContact O-CZ 3.49Å; P87-F180 HydrophobicContact CB-CD1 4.01Å; P87-F180 HydrophobicContact CB-CE1 3.97Å; P87-F180 HydrophobicContact CB-CZ 4.46Å; L90-F180 HydrophobicContact CD1-CB 4.15Å; L90-F180 HydrophobicContact CD1-CD2 3.83Å; L90-F180 HydrophobicContact CD1-CE2 4.44Å; L90-F180 HydrophobicContact CD1-CG 3.97Å; L90-F180 HydrophobicContact CD2-CD2 3.53Å; L90-F180 HydrophobicContact CD2-CE2 3.57Å; L90-F180 HydrophobicContact CD2-CG 4.47Å; L90-F180 HydrophobicContact CG-CD2 4.34Å; H178-F180 HydrophobicContact CB-CE2 4.13Å; F180-Y221 AromaticContact CD1-CD2 3.66Å; F180-Y221 HydrophobicContact CD1-CD2 3.66Å; F180-Y221 AromaticContact CD1-CE2 3.98Å; F180-Y221 HydrophobicContact CD1-CE2 3.98Å; F180-Y221 HydrophobicContact CD1-CG 4.23Å; F180-Y221 HydrophobicContact CE1-CD2 4.12Å; F180-Y221 AromaticContact CE1-CE2 3.96Å; F180-Y221 HydrophobicContact CE1-CE2 3.96Å; F180-K222 WeakPolarHBondContact CA-O 3.34Å; F180-K223 HydrophobicContact CD1-CB 4.32Å; F180-K223 HydrophobicContact CE1-CB 4.08Å; F180-K223 HydrophobicContact CE1-CD 4.27Å; F180-K223 HydrophobicContact CE1-CG 4.03Å; F180-K223 HydrophobicContact CZ-CD 4.22Å; F180-K223 HydrophobicContact CZ-CG 4.15Å |
| 181 | L | 95.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.2 | 167.9 | -63.8 | 172 | 0 | 0 | 0 | 108.2 | L31 Y37 L39 V59 I79 L179 Y221 K222 I224 | L31-L181 HydrophobicContact CD1-CD1 4.47Å; Y37-L181 HydrophobicContact CD1-CB 3.83Å; Y37-L181 HydrophobicContact CD2-CB 3.96Å; Y37-L181 HydrophobicContact CD2-CD1 4.43Å; Y37-L181 HydrophobicContact CE1-CB 4.04Å; Y37-L181 HydrophobicContact CE2-CB 4.18Å; Y37-L181 HydrophobicContact CG-CB 3.77Å; Y37-L181 HydrophobicContact CG-CD1 3.95Å; Y37-L181 HydrophobicContact CG-CG 4.43Å; L39-L181 HydrophobicContact CB-CD1 4.5Å; V59-L181 HydrophobicContact CG1-CD2 3.94Å; I79-L181 HydrophobicContact CB-CD2 3.99Å; I79-L181 HydrophobicContact CD1-CD2 3.92Å; I79-L181 HydrophobicContact CG1-CD2 3.86Å; L179-L181 HydrophobicContact CD2-CD1 4.32Å; L179-L181 HydrophobicContact CD2-CD2 3.96Å; L179-L181 HydrophobicContact CD2-CG 3.68Å; L181-Y221 CarbonylContact O-C 3.52Å; L181-Y221 WeakPolarHBondContact O-CA 3.26Å; L181-K222 PolarHBondContact N-O 2.88Å; L181-K222 PolarHBondContact O-N 3.09Å; L181-I224 HydrophobicContact CD1-CD1 3.41Å; L181-I224 VanDerWaalsContact CD1-CD1 3.41Å; L181-I224 HydrophobicContact CG-CD1 4Å |
| 182 | F | 94.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160.4 | -171.6 | 60.1 | -95.9 | 0 | 0 | 0 | 112.4 | Y37 F76 F77 G78 I79 M92 L94 M216 I219 | Y37-F182 WeakPolarHBondContact OH-CA 3.38Å; F76-F182 AromaticContact CD2-CD2 3.95Å; F76-F182 HydrophobicContact CD2-CD2 3.95Å; F76-F182 AromaticContact CD2-CE2 3.91Å; F76-F182 HydrophobicContact CD2-CE2 3.91Å; F76-F182 AromaticContact CE2-CD2 3.85Å; F76-F182 HydrophobicContact CE2-CD2 3.85Å; F76-F182 HydrophobicContact CE2-CE2 4.07Å; F77-F182 CarbonylContact C-O 3.53Å; F77-F182 WeakPolarHBondContact CA-O 3.49Å; F77-F182 WeakPolarHBondContact CB-O 3.36Å; G78-F182 VanDerWaalsContact C-CE1 3.48Å; G78-F182 PolarHBondContact N-O 3.24Å; G78-F182 PolarHBondContact O-N 2.84Å; I79-F182 VanDerWaalsContact C-CE1 3.46Å; M92-F182 HydrophobicContact CE-CD1 4.17Å; M92-F182 HydrophobicContact CE-CE1 3.39Å; M92-F182 HydrophobicContact CE-CE2 3.88Å; M92-F182 HydrophobicContact CE-CZ 3.23Å; L94-F182 HydrophobicContact CB-CE2 4.13Å; L94-F182 HydrophobicContact CB-CZ 4.11Å; L94-F182 HydrophobicContact CD2-CE2 4.41Å; L94-F182 HydrophobicContact CD2-CZ 4.29Å; F182-M216 HydrophobicContact CB-CE 3.27Å; F182-M216 HydrophobicContact CD1-CE 3.64Å; F182-M216 HydrophobicContact CD2-CE 3.76Å; F182-M216 HydrophobicContact CE1-CE 4.4Å; F182-M216 HydrophobicContact CG-CE 3.27Å; F182-I219 HydrophobicContact CB-CG2 4.46Å |
| 183 | H | 92.8 | Very high | 82.5 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 158.9 | 177.2 | 71.4 | -35.4 | 0 | 0 | 0 | 111.2 | Y37 Y61 F76 F77 I219 P220 | Y37-H183 HydrophobicContact CE1-CB 4.49Å; Y37-H183 PolarHBondContact OH-N 2.85Å; Y37-H183 PolarHBondContact OH-ND1 3.05Å; Y61-H183 HydrophobicContact CD2-CB 4.31Å; Y61-H183 HydrophobicContact CE2-CB 4.09Å; Y61-H183 AromaticContact CE2-CD2 3.15Å; Y61-H183 WeakPolarHBondContact CE2-CD2 3.43Å; Y61-H183 AromaticContact CE2-CG 3.71Å; Y61-H183 AromaticContact CE2-NE2 3.79Å; Y61-H183 AromaticContact CZ-CD2 3.28Å; Y61-H183 AromaticContact CZ-NE2 3.97Å; Y61-H183 PolarHBondContact OH-CD2 2.87Å; Y61-H183 PolarHBondContact OH-NE2 2.83Å; F76-H183 CarbonylContact O-C 3.53Å; F76-H183 VanDerWaalsContact O-CA 3.26Å; F76-H183 WeakPolarHBondContact O-CA 3.39Å; F77-H183 HydrophobicContact CB-CB 3.82Å; H183-I219 VanDerWaalsContact O-CG2 3.25Å; H183-I219 WeakPolarHBondContact O-CG2 3.18Å; H183-P220 PolarHBondContact N-O 2.63Å |
| 184 | S | 88.3 | Confident | 81.4 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 141.9 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | K75 F76 | K75-S184 WeakPolarHBondContact CA-O 3.41Å; K75-S184 VanDerWaalsContact CB-O 3.32Å; K75-S184 WeakPolarHBondContact CB-O 3.36Å; K75-S184 PolarHBondContact N-O 3.16Å; F76-S184 PolarHBondContact N-O 3.35Å; F76-S184 PolarHBondContact O-N 2.97Å |
| 185 | I | 84.1 | Confident | 80.3 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 156.3 | 173.3 | 59 | 172.8 | 0 | 0 | 0 | 109.9 | N73 L74 D187 | N73-I185 CarbonylContact O-C 3.48Å; N73-I185 VanDerWaalsContact O-CA 3.25Å; N73-I185 WeakPolarHBondContact O-CA 3.39Å; L74-I185 HydrophobicContact CD1-CG2 4.42Å; I185-D187 PolarHBondContact O-N 2.82Å |
| 186 | Y | 79.7 | Confident | 79.1 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | trans | -79.6 | 112.1 | 171.6 | -69.5 | -74.2 | 0 | 0 | 0 | 110.1 | N73 K75 L99 I189 Q197 | N73-Y186 VanDerWaalsContact O-CD2 3.28Å; N73-Y186 WeakPolarHBondContact O-CD2 3.4Å; N73-Y186 PolarHBondContact O-N 2.85Å; K75-Y186 HydrophobicContact CB-CD1 4.41Å; K75-Y186 HydrophobicContact CB-CD2 3.82Å; K75-Y186 HydrophobicContact CB-CE1 4.22Å; K75-Y186 HydrophobicContact CB-CE2 3.59Å; K75-Y186 HydrophobicContact CB-CG 4.24Å; K75-Y186 HydrophobicContact CD-CD1 4.26Å; K75-Y186 HydrophobicContact CD-CE1 3.82Å; K75-Y186 HydrophobicContact CG-CD1 4.38Å; K75-Y186 HydrophobicContact CG-CD2 4.4Å; K75-Y186 HydrophobicContact CG-CE1 3.79Å; K75-Y186 HydrophobicContact CG-CE2 3.8Å; K75-Y186 VanDerWaalsContact CG-CZ 3.46Å; L99-Y186 HydrophobicContact CD1-CD1 3.96Å; L99-Y186 HydrophobicContact CD1-CE1 3.61Å; L99-Y186 HydrophobicContact CD1-CE2 4.43Å; L99-Y186 HydrophobicContact CD1-CG 4.49Å; L99-Y186 HydrophobicContact CD2-CD1 4.19Å; L99-Y186 HydrophobicContact CD2-CD2 3.54Å; L99-Y186 HydrophobicContact CD2-CE1 4.13Å; L99-Y186 HydrophobicContact CD2-CE2 3.47Å; L99-Y186 VanDerWaalsContact CD2-CE2 3.47Å; L99-Y186 HydrophobicContact CD2-CG 3.9Å; L99-Y186 HydrophobicContact CG-CD1 4.23Å; L99-Y186 HydrophobicContact CG-CD2 4.16Å; L99-Y186 HydrophobicContact CG-CE1 3.74Å; L99-Y186 HydrophobicContact CG-CE2 3.67Å; L99-Y186 HydrophobicContact CG-CG 4.42Å; L99-Y186 VanDerWaalsContact CG-CZ 3.43Å; Y186-I189 HydrophobicContact CG-CG1 4.3Å; Y186-Q197 PolarHBondContact OH-NE2 3.07Å | ||
| 187 | D | 68.6 | Low | 77.9 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 80% | 0.802 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -64.5 | -43.4 | 179.5 | -63.8 | -34 | 0 | 0 | 0 | 112.8 | I185 | I185-D187 PolarHBondContact O-N 2.82Š|
| 188 | H | 63.8 | Low | 76.6 | Confident | 174 Ų | 174 | 63.8 Ų | 63.8 | 81% | 0.806 | 31% | 0.305 | S | S | * | . | trans | -140.7 | 121.8 | 176.4 | -96.1 | -49.1 | 0 | 0 | 0 | 110.4 | ||||
| 189 | I | 63.9 | Low | 75.3 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | trans | -100.1 | 98.4 | 176.2 | -57.5 | 167.1 | 0 | 0 | 0 | 107.7 | N73 L99 Y186 V194 | N73-I189 WeakPolarHBondContact OD1-CD1 3.22Å; L99-I189 HydrophobicContact CD1-CG2 4.45Å; L99-I189 HydrophobicContact CD2-CD1 3.91Å; L99-I189 HydrophobicContact CD2-CG1 3.89Å; L99-I189 HydrophobicContact CD2-CG2 3.92Å; Y186-I189 HydrophobicContact CG-CG1 4.3Å; I189-V194 HydrophobicContact CG2-CG2 3.78Å | ||
| 190 | S | 61.4 | Low | 73.9 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | trans | -85.9 | 154.8 | 170.8 | 85 | 0 | 0 | 0 | 0 | 110.9 | H192 D193 V194 | S190-H192 PolarHBondContact O-N 3.41Å; S190-H192 PolarHBondContact OG-N 3.07Å; S190-D193 WeakPolarHBondContact CB-OD2 3.15Å; S190-D193 PolarHBondContact N-OD2 2.85Å; S190-D193 PolarHBondContact O-N 3.06Å; S190-D193 VanDerWaalsContact O-N 3.08Å; S190-D193 PolarHBondContact OG-N 3.39Å; S190-D193 VanDerWaalsContact OG-N 3.13Å; S190-D193 PolarHBondContact OG-OD2 3.12Å; S190-V194 PolarHBondContact O-N 3.01Å | ||
| 191 | R | 63.2 | Low | 72.5 | Confident | 196 Ų | 196 | 75.1 Ų | 75.1 | 74% | 0.74 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.8 | -29.4 | 174.1 | -152.7 | 178 | -169.9 | 167.9 | 3.9 | 111.9 | I195 | R191-I195 HydrophobicContact CG-CD1 4.42Å; R191-I195 WeakPolarHBondContact O-CD1 3.4Å; R191-I195 VanDerWaalsContact O-CG1 3.26Å; R191-I195 WeakPolarHBondContact O-CG1 3.26Å; R191-I195 PolarHBondContact O-N 3.06Å; R191-I195 VanDerWaalsContact O-N 3.07Å |
| 192 | H | 62.9 | Low | 71 | Confident | 152 Ų | 152 | 85.7 Ų | 85.7 | 70% | 0.704 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 173.7 | -84.9 | 107 | 0 | 0 | 0 | 111.7 | S190 V194 I195 Y196 | S190-H192 PolarHBondContact O-N 3.41Å; S190-H192 PolarHBondContact OG-N 3.07Å; H192-V194 VanDerWaalsContact C-N 3.31Å; H192-V194 PolarHBondContact O-N 3.19Å; H192-I195 PolarHBondContact O-N 2.9Å; H192-Y196 VanDerWaalsContact O-CB 3.28Å; H192-Y196 WeakPolarHBondContact O-CB 3.42Å; H192-Y196 PolarHBondContact O-N 3.33Å |
| 193 | D | 65.2 | Low | 69.8 | Low | 69 Ų | 69 | 89.4 Ų | 89.4 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 178.8 | -56.1 | -45.5 | 0 | 0 | 0 | 111.3 | L99 S190 Y196 Q197 | L99-D193 HydrophobicContact CD1-CB 4.12Å; S190-D193 WeakPolarHBondContact CB-OD2 3.15Å; S190-D193 PolarHBondContact N-OD2 2.85Å; S190-D193 PolarHBondContact O-N 3.06Å; S190-D193 VanDerWaalsContact O-N 3.08Å; S190-D193 PolarHBondContact OG-N 3.39Å; S190-D193 VanDerWaalsContact OG-N 3.13Å; S190-D193 PolarHBondContact OG-OD2 3.12Å; D193-Y196 PolarHBondContact O-N 3.39Å; D193-Q197 WeakPolarHBondContact O-CB 3.4Å; D193-Q197 WeakPolarHBondContact O-CG 3.36Å; D193-Q197 PolarHBondContact O-N 3.1Å |
| 194 | V | 66.1 | Low | 68.3 | Low | 23 Ų | 23 | 90.7 Ų | 90.7 | 14% | 0.139 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | L99 I189 S190 H192 Y196 Q197 M198 | L99-V194 HydrophobicContact CB-CG2 4.35Å; I189-V194 HydrophobicContact CG2-CG2 3.78Å; S190-V194 PolarHBondContact O-N 3.01Å; H192-V194 VanDerWaalsContact C-N 3.31Å; H192-V194 PolarHBondContact O-N 3.19Å; V194-Y196 PolarHBondContact O-N 3.06Å; V194-Q197 PolarHBondContact O-N 3.41Å; V194-M198 HydrophobicContact CG1-SD 4.36Å; V194-M198 WeakPolarHBondContact O-CG 3.42Å; V194-M198 PolarHBondContact O-N 2.9Å |
| 195 | I | 66.3 | Low | 67.2 | Low | 96 Ų | 96 | 92.9 Ų | 92.9 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 180 | -68.7 | 167.1 | 0 | 0 | 0 | 111.1 | R191 H192 M198 W199 | R191-I195 HydrophobicContact CG-CD1 4.42Å; R191-I195 WeakPolarHBondContact O-CD1 3.4Å; R191-I195 VanDerWaalsContact O-CG1 3.26Å; R191-I195 WeakPolarHBondContact O-CG1 3.26Å; R191-I195 PolarHBondContact O-N 3.06Å; R191-I195 VanDerWaalsContact O-N 3.07Å; H192-I195 PolarHBondContact O-N 2.9Å; I195-M198 WeakPolarHBondContact O-CB 3.21Å; I195-M198 PolarHBondContact O-N 3.42Å; I195-W199 WeakPolarHBondContact O-CB 3.09Å; I195-W199 PolarHBondContact O-N 2.66Å |
| 196 | Y | 68.7 | Low | 66 | Low | 129 Ų | 129 | 89.8 Ų | 89.8 | 51% | 0.506 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 177.5 | -175.2 | -109.2 | 0 | 0 | 0 | 110.8 | H192 D193 V194 M198 W199 L200 | H192-Y196 VanDerWaalsContact O-CB 3.28Å; H192-Y196 WeakPolarHBondContact O-CB 3.42Å; H192-Y196 PolarHBondContact O-N 3.33Å; D193-Y196 PolarHBondContact O-N 3.39Å; V194-Y196 PolarHBondContact O-N 3.06Å; Y196-M198 PolarHBondContact O-N 3.39Å; Y196-W199 WeakPolarHBondContact O-CB 3.13Å; Y196-W199 PolarHBondContact O-N 2.8Å; Y196-L200 HydrophobicContact CD1-CD1 3.82Å; Y196-L200 HydrophobicContact CD1-CG 4.32Å; Y196-L200 HydrophobicContact CE1-CD1 3.45Å; Y196-L200 VanDerWaalsContact CE1-CD1 3.45Å; Y196-L200 HydrophobicContact CE1-CG 4.06Å; Y196-L200 WeakPolarHBondContact O-CG 3.35Å; Y196-L200 PolarHBondContact O-N 3.4Å |
| 197 | Q | 68.8 | Low | 64.9 | Low | 13 Ų | 13 | 89.8 Ų | 89.8 | 6% | 0.061 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | 173.3 | -77.5 | -146.8 | -5.4 | 0 | 0 | 113.3 | Y96 Y100 Y186 D193 V194 W199 L200 H201 T206 S210 | Y96-Q197 PolarHBondContact OH-NE2 2.92Å; Y100-Q197 HydrophobicContact CD1-CB 4.4Å; Y186-Q197 PolarHBondContact OH-NE2 3.07Å; D193-Q197 WeakPolarHBondContact O-CB 3.4Å; D193-Q197 WeakPolarHBondContact O-CG 3.36Å; D193-Q197 PolarHBondContact O-N 3.1Å; V194-Q197 PolarHBondContact O-N 3.41Å; Q197-W199 VanDerWaalsContact C-N 3.26Å; Q197-W199 PolarHBondContact O-N 2.91Å; Q197-L200 PolarHBondContact O-N 2.91Å; Q197-H201 WeakPolarHBondContact O-CB 3.25Å; Q197-H201 PolarHBondContact O-N 2.98Å; Q197-T206 HydrophobicContact CB-CG2 4.12Å; Q197-T206 HydrophobicContact CG-CG2 4.38Å; Q197-T206 VanDerWaalsContact O-CG2 3.27Å; Q197-T206 WeakPolarHBondContact O-CG2 3.48Å; Q197-S210 PolarHBondContact NE2-OG 3.09Å |
| 198 | M | 66.7 | Low | 64.3 | Low | 75 Ų | 75 | 86.7 Ų | 86.7 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 173.1 | -78.6 | 176.2 | 87.5 | 0 | 0 | 111 | Y100 V194 I195 Y196 H201 R202 | Y100-M198 HydrophobicContact CG-CG 4.49Å; V194-M198 HydrophobicContact CG1-SD 4.36Å; V194-M198 WeakPolarHBondContact O-CG 3.42Å; V194-M198 PolarHBondContact O-N 2.9Å; I195-M198 WeakPolarHBondContact O-CB 3.21Å; I195-M198 PolarHBondContact O-N 3.42Å; Y196-M198 PolarHBondContact O-N 3.39Å; M198-H201 PolarHBondContact O-N 3.24Å; M198-R202 PolarHBondContact O-N 2.74Å |
| 199 | W | 67.8 | Low | 64 | Low | 154 Ų | 154 | 82.2 Ų | 82.2 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.7 | -47.5 | 178.5 | -171.9 | 81.7 | 0 | 0 | 0 | 111.3 | I195 Y196 Q197 H201 R202 I203 | I195-W199 WeakPolarHBondContact O-CB 3.09Å; I195-W199 PolarHBondContact O-N 2.66Å; Y196-W199 WeakPolarHBondContact O-CB 3.13Å; Y196-W199 PolarHBondContact O-N 2.8Å; Q197-W199 VanDerWaalsContact C-N 3.26Å; Q197-W199 PolarHBondContact O-N 2.91Å; W199-H201 VanDerWaalsContact C-N 3.27Å; W199-H201 PolarHBondContact O-N 2.9Å; W199-R202 PolarHBondContact O-N 3.46Å; W199-I203 HydrophobicContact CD2-CD1 4.39Å; W199-I203 HydrophobicContact CE3-CD1 3.76Å; W199-I203 HydrophobicContact CH2-CD1 3.66Å; W199-I203 HydrophobicContact CZ2-CD1 4.29Å; W199-I203 HydrophobicContact CZ3-CD1 3.36Å; W199-I203 PolarHBondContact O-N 2.92Å |
| 200 | L | 66.3 | Low | 63.9 | Low | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58 | -38.5 | 174.6 | -72.2 | -178.1 | 0 | 0 | 0 | 112.7 | Y196 Q197 I203 G204 L205 T206 I209 | Y196-L200 HydrophobicContact CD1-CD1 3.82Å; Y196-L200 HydrophobicContact CD1-CG 4.32Å; Y196-L200 HydrophobicContact CE1-CD1 3.45Å; Y196-L200 VanDerWaalsContact CE1-CD1 3.45Å; Y196-L200 HydrophobicContact CE1-CG 4.06Å; Y196-L200 WeakPolarHBondContact O-CG 3.35Å; Y196-L200 PolarHBondContact O-N 3.4Å; Q197-L200 PolarHBondContact O-N 2.91Å; L200-I203 HydrophobicContact CD2-CD1 4.14Å; L200-I203 CarbonylContact O-C 3.49Å; L200-I203 WeakPolarHBondContact O-CG1 3.33Å; L200-I203 PolarHBondContact O-N 3.43Å; L200-G204 PolarHBondContact O-N 3.35Å; L200-G204 VanDerWaalsContact O-N 3.09Å; L200-L205 HydrophobicContact CD2-CB 4.42Å; L200-L205 PolarHBondContact O-N 2.83Å; L200-T206 HydrophobicContact CB-CG2 3.84Å; L200-T206 PolarHBondContact O-N 2.87Å; L200-I209 HydrophobicContact CD1-CB 3.94Å; L200-I209 HydrophobicContact CD1-CD1 4.47Å; L200-I209 HydrophobicContact CD1-CG2 3.73Å; L200-I209 HydrophobicContact CD2-CD1 3.48Å; L200-I209 VanDerWaalsContact CD2-CD1 3.48Å |
| 201 | H | 66.7 | Low | 64.1 | Low | 84 Ų | 84 | 78 Ų | 78 | 39% | 0.389 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.6 | -177.4 | 57.8 | 0 | 0 | 0 | 112.9 | Y100 Q197 M198 W199 I203 G204 T206 | Y100-H201 HydrophobicContact CD1-CB 3.72Å; Y100-H201 HydrophobicContact CD2-CB 4.26Å; Y100-H201 AromaticContact CD2-CD2 3.78Å; Y100-H201 HydrophobicContact CE1-CB 3.53Å; Y100-H201 AromaticContact CE1-CG 3.46Å; Y100-H201 VanDerWaalsContact CE1-CG 3.46Å; Y100-H201 AromaticContact CE1-ND1 3.69Å; Y100-H201 HydrophobicContact CE2-CB 4.1Å; Y100-H201 AromaticContact CE2-CD2 3.13Å; Y100-H201 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H201 AromaticContact CE2-CE1 3.93Å; Y100-H201 AromaticContact CE2-CG 3.46Å; Y100-H201 VanDerWaalsContact CE2-CG 3.46Å; Y100-H201 AromaticContact CE2-ND1 3.94Å; Y100-H201 AromaticContact CE2-NE2 3.48Å; Y100-H201 WeakPolarHBondContact CE2-NE2 3.25Å; Y100-H201 HydrophobicContact CG-CB 4.13Å; Y100-H201 AromaticContact CZ-CD2 3.36Å; Y100-H201 AromaticContact CZ-CE1 3.51Å; Y100-H201 AromaticContact CZ-CG 3.17Å; Y100-H201 AromaticContact CZ-ND1 3.29Å; Y100-H201 VanDerWaalsContact CZ-ND1 3.29Å; Y100-H201 AromaticContact CZ-NE2 3.57Å; Y100-H201 PolarHBondContact OH-CE1 3.3Å; Y100-H201 PolarHBondContact OH-ND1 3.02Å; Y100-H201 PolarHBondContact OH-NE2 3Å; Q197-H201 WeakPolarHBondContact O-CB 3.25Å; Q197-H201 PolarHBondContact O-N 2.98Å; M198-H201 PolarHBondContact O-N 3.24Å; W199-H201 VanDerWaalsContact C-N 3.27Å; W199-H201 PolarHBondContact O-N 2.9Å; H201-I203 PolarHBondContact O-N 3.11Å; H201-G204 PolarHBondContact O-N 2.83Å; H201-T206 WeakPolarHBondContact CA-OG1 3.32Å; H201-T206 HydrophobicContact CB-CG2 4Å; H201-T206 WeakPolarHBondContact CB-OG1 3.43Å; H201-T206 PolarHBondContact N-OG1 3.34Å; H201-T206 PolarHBondContact ND1-OG1 3.16Å |
| 202 | R | 65.4 | Low | 64.3 | Low | 223 Ų | 223 | 70.7 Ų | 70.7 | 84% | 0.842 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.3 | -28.6 | 175.4 | -83.2 | -171.4 | 174.2 | -160 | -0.2 | 113.4 | M198 W199 | M198-R202 PolarHBondContact O-N 2.74Å; W199-R202 PolarHBondContact O-N 3.46Å |
| 203 | I | 68.8 | Low | 64.9 | Low | 78 Ų | 78 | 69.4 Ų | 69.4 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.7 | 176.7 | 66 | 178.9 | 0 | 0 | 0 | 113.2 | W199 L200 H201 L205 | W199-I203 HydrophobicContact CD2-CD1 4.39Å; W199-I203 HydrophobicContact CE3-CD1 3.76Å; W199-I203 HydrophobicContact CH2-CD1 3.66Å; W199-I203 HydrophobicContact CZ2-CD1 4.29Å; W199-I203 HydrophobicContact CZ3-CD1 3.36Å; W199-I203 PolarHBondContact O-N 2.92Å; L200-I203 HydrophobicContact CD2-CD1 4.14Å; L200-I203 CarbonylContact O-C 3.49Å; L200-I203 WeakPolarHBondContact O-CG1 3.33Å; L200-I203 PolarHBondContact O-N 3.43Å; H201-I203 PolarHBondContact O-N 3.11Å; I203-L205 HydrophobicContact CD1-CB 4.46Å; I203-L205 HydrophobicContact CD1-CD1 3.79Å; I203-L205 HydrophobicContact CD1-CG 4.36Å; I203-L205 HydrophobicContact CG1-CB 4.19Å; I203-L205 HydrophobicContact CG1-CD1 4.13Å; I203-L205 HydrophobicContact CG1-CG 4.15Å; I203-L205 PolarHBondContact O-N 3.1Å |
| 204 | G | 62.6 | Low | 65.8 | Low | 57 Ų | 57 | 68.4 Ų | 68.4 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 14.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L200 H201 | L200-G204 PolarHBondContact O-N 3.35Å; L200-G204 VanDerWaalsContact O-N 3.09Å; H201-G204 PolarHBondContact O-N 2.83Å |
| 205 | L | 63.9 | Low | 67 | Low | 69 Ų | 69 | 70.6 Ų | 70.6 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | trans | -108 | 4.6 | -173.7 | -64.7 | 176.8 | 0 | 0 | 0 | 114.6 | L200 I203 M208 I209 | L200-L205 HydrophobicContact CD2-CB 4.42Å; L200-L205 PolarHBondContact O-N 2.83Å; I203-L205 HydrophobicContact CD1-CB 4.46Å; I203-L205 HydrophobicContact CD1-CD1 3.79Å; I203-L205 HydrophobicContact CD1-CG 4.36Å; I203-L205 HydrophobicContact CG1-CB 4.19Å; I203-L205 HydrophobicContact CG1-CD1 4.13Å; I203-L205 HydrophobicContact CG1-CG 4.15Å; I203-L205 PolarHBondContact O-N 3.1Å; L205-M208 PolarHBondContact O-N 3.19Å; L205-I209 HydrophobicContact CB-CD1 3.84Å; L205-I209 HydrophobicContact CB-CG1 4.41Å; L205-I209 HydrophobicContact CD1-CD1 4.1Å; L205-I209 PolarHBondContact O-N 3.18Å | ||
| 206 | T | 58.8 | Low | 68.2 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.9 | -54.8 | -173.6 | -1 | 0 | 0 | 0 | 0 | 114.8 | Y100 Q197 L200 H201 S210 | Y100-T206 HydrophobicContact CD1-CG2 3.99Å; Y100-T206 HydrophobicContact CE1-CG2 3.95Å; Q197-T206 HydrophobicContact CB-CG2 4.12Å; Q197-T206 HydrophobicContact CG-CG2 4.38Å; Q197-T206 VanDerWaalsContact O-CG2 3.27Å; Q197-T206 WeakPolarHBondContact O-CG2 3.48Å; L200-T206 HydrophobicContact CB-CG2 3.84Å; L200-T206 PolarHBondContact O-N 2.87Å; H201-T206 WeakPolarHBondContact CA-OG1 3.32Å; H201-T206 HydrophobicContact CB-CG2 4Å; H201-T206 WeakPolarHBondContact CB-OG1 3.43Å; H201-T206 PolarHBondContact N-OG1 3.34Å; H201-T206 PolarHBondContact ND1-OG1 3.16Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 2.8Å |
| 207 | P | 56.4 | Low | 69.3 | Low | 29 Ų | 29 | 64.1 Ų | 64.1 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | -178.7 | 23.4 | -29.9 | 0 | 0 | 0 | 111.7 | M115 I209 S210 L211 | M115-P207 HydrophobicContact CE-CB 4.29Å; M115-P207 HydrophobicContact SD-CB 3.39Å; M115-P207 WeakPolarHBondContact SD-CB 3.36Å; M115-P207 HydrophobicContact SD-CG 4.2Å; P207-I209 VanDerWaalsContact C-N 3.3Å; P207-I209 PolarHBondContact O-N 3.22Å; P207-S210 PolarHBondContact O-N 2.94Å; P207-L211 HydrophobicContact CB-CD1 4.38Å; P207-L211 WeakPolarHBondContact O-CB 3.39Å; P207-L211 PolarHBondContact O-N 2.94Å; P207-L211 VanDerWaalsContact O-N 3.08Å |
| 208 | M | 56.2 | Low | 70.3 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | -179.2 | -126 | -166.3 | -179.4 | 0 | 0 | 112.3 | L205 N212 | L205-M208 PolarHBondContact O-N 3.19Å; M208-N212 VanDerWaalsContact O-CB 3.25Å; M208-N212 WeakPolarHBondContact O-CB 3.5Å; M208-N212 PolarHBondContact O-N 3.05Å |
| 209 | I | 58.2 | Low | 71.5 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 41% | 0.41 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -88.4 | -29.6 | -179.7 | -69.2 | 170.6 | 0 | 0 | 0 | 112.3 | L200 L205 P207 | L200-I209 HydrophobicContact CD1-CB 3.94Å; L200-I209 HydrophobicContact CD1-CD1 4.47Å; L200-I209 HydrophobicContact CD1-CG2 3.73Å; L200-I209 HydrophobicContact CD2-CD1 3.48Å; L200-I209 VanDerWaalsContact CD2-CD1 3.48Å; L205-I209 HydrophobicContact CB-CD1 3.84Å; L205-I209 HydrophobicContact CB-CG1 4.41Å; L205-I209 HydrophobicContact CD1-CD1 4.1Å; L205-I209 PolarHBondContact O-N 3.18Å; P207-I209 VanDerWaalsContact C-N 3.3Å; P207-I209 PolarHBondContact O-N 3.22Å |
| 210 | S | 61.6 | Low | 72.6 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -80.5 | -18.7 | -176.7 | 177.9 | 0 | 0 | 0 | 0 | 114.3 | K75 Y96 Q197 T206 P207 | K75-S210 PolarHBondContact NZ-O 2.92Å; K75-S210 VanDerWaalsContact NZ-O 3.16Å; Y96-S210 WeakPolarHBondContact OH-CB 3.22Å; Y96-S210 PolarHBondContact OH-OG 3.26Å; Q197-S210 PolarHBondContact NE2-OG 3.09Å; T206-S210 WeakPolarHBondContact O-CB 3.41Å; T206-S210 PolarHBondContact O-N 2.8Å; P207-S210 PolarHBondContact O-N 2.94Å |
| 211 | L | 65.5 | Low | 73.8 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -128 | -32.6 | -168 | -60.8 | 169.9 | 0 | 0 | 0 | 114 | F76 Y96 M115 L125 I127 P207 L214 | F76-L211 HydrophobicContact CD1-CD2 3.39Å; F76-L211 HydrophobicContact CE1-CD2 3.55Å; F76-L211 HydrophobicContact CG-CD2 4.44Å; Y96-L211 HydrophobicContact CD1-CD1 4.38Å; Y96-L211 HydrophobicContact CD2-CD1 3.76Å; Y96-L211 HydrophobicContact CD2-CD2 3.99Å; Y96-L211 HydrophobicContact CD2-CG 4.24Å; Y96-L211 HydrophobicContact CE2-CD1 4.13Å; Y96-L211 HydrophobicContact CE2-CD2 4.04Å; Y96-L211 HydrophobicContact CE2-CG 4.2Å; Y96-L211 HydrophobicContact CG-CD1 3.88Å; M115-L211 HydrophobicContact CE-CD1 3.14Å; M115-L211 HydrophobicContact SD-CD1 4.25Å; L125-L211 HydrophobicContact CD2-CB 4.17Å; L125-L211 WeakPolarHBondContact CD2-O 3.08Å; I127-L211 HydrophobicContact CD1-CB 3.95Å; I127-L211 HydrophobicContact CD1-CD1 3.95Å; I127-L211 HydrophobicContact CG1-CB 4.1Å; P207-L211 HydrophobicContact CB-CD1 4.38Å; P207-L211 WeakPolarHBondContact O-CB 3.39Å; P207-L211 PolarHBondContact O-N 2.94Å; P207-L211 VanDerWaalsContact O-N 3.08Å; L211-L214 HydrophobicContact CD2-CD1 3.97Å; L211-L214 WeakPolarHBondContact O-CG 3.37Å; L211-L214 PolarHBondContact O-N 3.24Å |
| 212 | N | 68.1 | Low | 74.9 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 147.4 | 173.8 | -84.4 | 3 | 0 | 0 | 0 | 110.7 | L125 H126 I127 M208 L214 | L125-N212 WeakPolarHBondContact O-CA 3.1Å; H126-N212 WeakPolarHBondContact CA-OD1 3.18Å; I127-N212 PolarHBondContact N-OD1 2.97Å; M208-N212 VanDerWaalsContact O-CB 3.25Å; M208-N212 WeakPolarHBondContact O-CB 3.5Å; M208-N212 PolarHBondContact O-N 3.05Å; N212-L214 PolarHBondContact O-N 2.99Å |
| 213 | N | 75.1 | Confident | 76.2 | Confident | 124 Ų | 124 | 59.3 Ų | 59.3 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 12.4 | 179.6 | -51.4 | -41.3 | 0 | 0 | 0 | 114.8 | I124 L125 | I124-N213 HydrophobicContact CG2-CB 4.47Å; L125-N213 PolarHBondContact O-N 3.16Å; L125-N213 VanDerWaalsContact O-N 3.1Å |
| 214 | L | 85 | Confident | 77.3 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | trans | -73.2 | 132 | 165.7 | -69.7 | 175.1 | 0 | 0 | 0 | 109.5 | F76 L125 L211 N212 M216 I219 | F76-L214 HydrophobicContact CE1-CD1 3.85Å; F76-L214 HydrophobicContact CZ-CD1 4.17Å; L125-L214 HydrophobicContact CB-CB 4.37Å; L125-L214 WeakPolarHBondContact CB-O 3.38Å; L125-L214 PolarHBondContact N-O 2.97Å; L211-L214 HydrophobicContact CD2-CD1 3.97Å; L211-L214 WeakPolarHBondContact O-CG 3.37Å; L211-L214 PolarHBondContact O-N 3.24Å; N212-L214 PolarHBondContact O-N 2.99Å; L214-M216 PolarHBondContact O-N 3.15Å; L214-I219 HydrophobicContact CB-CD1 4.24Å; L214-I219 HydrophobicContact CD1-CD1 4.48Å | ||
| 215 | E | 90.7 | Very high | 78.7 | Confident | 70 Ų | 70 | 53.1 Ų | 53.1 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 111.9 | 173.6 | -170.7 | -179.8 | 169.5 | 0 | 0 | 109.7 | I124 K217 Q218 | I124-E215 HydrophobicContact CD1-CB 4.07Å; I124-E215 HydrophobicContact CD1-CG 4.28Å; E215-K217 VanDerWaalsContact C-N 3.26Å; E215-K217 HydrophobicContact CG-CB 4.29Å; E215-K217 PolarHBondContact O-N 3.2Å; E215-Q218 HydrophobicContact CB-CG 4.07Å; E215-Q218 HydrophobicContact CG-CG 4.2Å; E215-Q218 WeakPolarHBondContact O-CB 3.48Å; E215-Q218 PolarHBondContact O-N 3.45Å; E215-Q218 PolarHBondContact OE2-NE2 3.29Å |
| 216 | M | 91.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.8 | -30.8 | -174.7 | -167.2 | 62.6 | -149.9 | 0 | 0 | 113.2 | P87 M92 T119 S123 F182 L214 Q218 I219 | P87-M216 HydrophobicContact CB-CB 4.4Å; P87-M216 HydrophobicContact CB-CG 3.91Å; P87-M216 HydrophobicContact CG-CG 4.49Å; M92-M216 HydrophobicContact CE-CE 4.31Å; M92-M216 HydrophobicContact CE-CG 4.37Å; M92-M216 HydrophobicContact CE-SD 3.67Å; T119-M216 HydrophobicContact CG2-CB 3.56Å; T119-M216 HydrophobicContact CG2-CG 3.99Å; S123-M216 WeakPolarHBondContact O-CB 3.4Å; S123-M216 PolarHBondContact O-N 2.76Å; S123-M216 WeakPolarHBondContact OG-CB 3.32Å; F182-M216 HydrophobicContact CB-CE 3.27Å; F182-M216 HydrophobicContact CD1-CE 3.64Å; F182-M216 HydrophobicContact CD2-CE 3.76Å; F182-M216 HydrophobicContact CE1-CE 4.4Å; F182-M216 HydrophobicContact CG-CE 3.27Å; L214-M216 PolarHBondContact O-N 3.15Å; M216-Q218 PolarHBondContact O-N 3.32Å; M216-I219 HydrophobicContact CE-CB 4.04Å; M216-I219 HydrophobicContact CE-CG2 3.91Å; M216-I219 PolarHBondContact O-N 2.92Å; M216-I219 VanDerWaalsContact O-N 3.09Å; M216-I219 HydrophobicContact SD-CB 4.2Å; M216-I219 HydrophobicContact SD-CD1 3.71Å; M216-I219 HydrophobicContact SD-CG2 4.46Å |
| 217 | K | 91.4 | Very high | 81.7 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 39% | 0.387 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.2 | 172.7 | -78.4 | 175.7 | -176.6 | -167.7 | 0 | 114.2 | E86 P87 S123 E215 | E86-K217 WeakPolarHBondContact OE2-CE 3.39Å; E86-K217 IonicContact OE2-NZ 2.8Å; E86-K217 PolarHBondContact OE2-NZ 3.43Å; P87-K217 HydrophobicContact CG-CB 4.48Å; P87-K217 HydrophobicContact CG-CG 3.65Å; S123-K217 WeakPolarHBondContact OG-CG 3.03Å; S123-K217 PolarHBondContact OG-N 2.82Å; S123-K217 VanDerWaalsContact OG-N 3.14Å; E215-K217 VanDerWaalsContact C-N 3.26Å; E215-K217 HydrophobicContact CG-CB 4.29Å; E215-K217 PolarHBondContact O-N 3.2Å |
| 218 | Q | 90.7 | Very high | 83.5 | Confident | 147 Ų | 147 | 48.9 Ų | 48.9 | 69% | 0.687 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -88 | -11.5 | 179.2 | -58 | -174.1 | 10.2 | 0 | 0 | 112.7 | E215 M216 | E215-Q218 HydrophobicContact CB-CG 4.07Å; E215-Q218 HydrophobicContact CG-CG 4.2Å; E215-Q218 WeakPolarHBondContact O-CB 3.48Å; E215-Q218 PolarHBondContact O-N 3.45Å; E215-Q218 PolarHBondContact OE2-NE2 3.29Å; M216-Q218 PolarHBondContact O-N 3.32Å |
| 219 | I | 90.1 | Very high | 85.1 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -86.6 | 137.7 | -179.7 | -67.4 | 166.1 | 0 | 0 | 0 | 108.6 | F76 F182 H183 L214 M216 Y221 | F76-I219 HydrophobicContact CE2-CD1 4.19Å; F76-I219 HydrophobicContact CE2-CG2 4.2Å; F76-I219 HydrophobicContact CZ-CD1 3.65Å; F76-I219 HydrophobicContact CZ-CG1 4.41Å; F76-I219 HydrophobicContact CZ-CG2 4.43Å; F182-I219 HydrophobicContact CB-CG2 4.46Å; H183-I219 VanDerWaalsContact O-CG2 3.25Å; H183-I219 WeakPolarHBondContact O-CG2 3.18Å; L214-I219 HydrophobicContact CB-CD1 4.24Å; L214-I219 HydrophobicContact CD1-CD1 4.48Å; M216-I219 HydrophobicContact CE-CB 4.04Å; M216-I219 HydrophobicContact CE-CG2 3.91Å; M216-I219 PolarHBondContact O-N 2.92Å; M216-I219 VanDerWaalsContact O-N 3.09Å; M216-I219 HydrophobicContact SD-CB 4.2Å; M216-I219 HydrophobicContact SD-CD1 3.71Å; M216-I219 HydrophobicContact SD-CG2 4.46Å; I219-Y221 WeakPolarHBondContact O-CD1 3.41Å; I219-Y221 PolarHBondContact O-N 2.89Å |
| 220 | P | 90.7 | Very high | 86.4 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 51% | 0.506 | 21% | 0.207 | S | C | . | . | trans | -60 | 122.3 | 172.9 | -24.6 | 34.8 | 0 | 0 | 0 | 112.1 | H183 | H183-P220 PolarHBondContact N-O 2.63Š| ||
| 221 | Y | 92.2 | Very high | 87.5 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.5 | 177.8 | 64.1 | -99.8 | 0 | 0 | 0 | 112.1 | P87 F180 L181 I219 | P87-Y221 HydrophobicContact CG-CD1 4.38Å; P87-Y221 HydrophobicContact CG-CE1 3.84Å; F180-Y221 AromaticContact CD1-CD2 3.66Å; F180-Y221 HydrophobicContact CD1-CD2 3.66Å; F180-Y221 AromaticContact CD1-CE2 3.98Å; F180-Y221 HydrophobicContact CD1-CE2 3.98Å; F180-Y221 HydrophobicContact CD1-CG 4.23Å; F180-Y221 HydrophobicContact CE1-CD2 4.12Å; F180-Y221 AromaticContact CE1-CE2 3.96Å; F180-Y221 HydrophobicContact CE1-CE2 3.96Å; L181-Y221 CarbonylContact O-C 3.52Å; L181-Y221 WeakPolarHBondContact O-CA 3.26Å; I219-Y221 WeakPolarHBondContact O-CD1 3.41Å; I219-Y221 PolarHBondContact O-N 2.89Å |
| 222 | K | 90.9 | Very high | 88 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 19% | 0.191 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.3 | 167.7 | -174.6 | 176.4 | -175.7 | 110.2 | 0 | 109 | L31 D35 Y37 F180 L181 I224 | L31-K222 HydrophobicContact CD1-CD 4.43Å; L31-K222 HydrophobicContact CD2-CD 4.38Å; D35-K222 WeakPolarHBondContact OD2-CD 3.2Å; D35-K222 WeakPolarHBondContact OD2-CE 3.47Å; D35-K222 IonicContact OD2-NZ 3.26Å; D35-K222 PolarHBondContact OD2-NZ 3.18Å; Y37-K222 HydrophobicContact CD2-CB 4.13Å; Y37-K222 HydrophobicContact CD2-CD 4.39Å; Y37-K222 HydrophobicContact CE2-CB 3.96Å; F180-K222 WeakPolarHBondContact CA-O 3.34Å; L181-K222 PolarHBondContact N-O 2.88Å; L181-K222 PolarHBondContact O-N 3.09Å; K222-I224 HydrophobicContact CD-CD1 4.32Å; K222-I224 HydrophobicContact CD-CG1 4.35Å; K222-I224 HydrophobicContact CG-CD1 4.4Å; K222-I224 HydrophobicContact CG-CG1 4.17Å |
| 223 | K | 91.9 | Very high | 88.1 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 37% | 0.365 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 134.2 | 171.9 | -176.2 | -177.8 | 67.2 | 173.1 | 0 | 110.1 | D85 L179 F180 | D85-K223 HydrophobicContact CB-CD 4.31Å; D85-K223 WeakPolarHBondContact O-CD 3.32Å; D85-K223 IonicContact OD1-NZ 2.9Å; D85-K223 PolarHBondContact OD1-NZ 2.56Å; L179-K223 CarbonylContact O-C 3.58Å; L179-K223 WeakPolarHBondContact O-CA 3.34Å; F180-K223 HydrophobicContact CD1-CB 4.32Å; F180-K223 HydrophobicContact CE1-CB 4.08Å; F180-K223 HydrophobicContact CE1-CD 4.27Å; F180-K223 HydrophobicContact CE1-CG 4.03Å; F180-K223 HydrophobicContact CZ-CD 4.22Å; F180-K223 HydrophobicContact CZ-CG 4.15Å |
| 224 | I | 91.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.6 | 176.6 | -57 | 149.7 | 0 | 0 | 0 | 107.6 | L29 L179 L181 K222 L226 | L29-I224 HydrophobicContact CD1-CG2 4.18Å; L29-I224 HydrophobicContact CD2-CD1 3.48Å; L29-I224 VanDerWaalsContact CD2-CD1 3.48Å; L29-I224 HydrophobicContact CD2-CG1 4.18Å; L29-I224 HydrophobicContact CD2-CG2 3.9Å; L179-I224 WeakPolarHBondContact CA-O 3.42Å; L179-I224 WeakPolarHBondContact CB-O 3.21Å; L179-I224 HydrophobicContact CD2-CB 4.37Å; L179-I224 HydrophobicContact CD2-CD1 3.97Å; L179-I224 PolarHBondContact N-O 3.22Å; L179-I224 PolarHBondContact O-N 3.12Å; L181-I224 HydrophobicContact CD1-CD1 3.41Å; L181-I224 VanDerWaalsContact CD1-CD1 3.41Å; L181-I224 HydrophobicContact CG-CD1 4Å; K222-I224 HydrophobicContact CD-CD1 4.32Å; K222-I224 HydrophobicContact CD-CG1 4.35Å; K222-I224 HydrophobicContact CG-CD1 4.4Å; K222-I224 HydrophobicContact CG-CG1 4.17Å; I224-L226 HydrophobicContact CG2-CD1 4.17Å; I224-L226 HydrophobicContact CG2-CD2 3.91Å; I224-L226 HydrophobicContact CG2-CG 3.77Å |
| 225 | L | 92.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.4 | 172.7 | -58.5 | 176.9 | 0 | 0 | 0 | 108.4 | T176 H178 S472 F475 | T176-L225 HydrophobicContact CG2-CB 4.2Å; T176-L225 HydrophobicContact CG2-CD2 4.27Å; H178-L225 HydrophobicContact CB-CD2 4.16Å; H178-L225 WeakPolarHBondContact ND1-CD2 3.05Å; L225-S472 VanDerWaalsContact CD1-CB 3.47Å; L225-F475 HydrophobicContact CB-CB 3.7Å; L225-F475 HydrophobicContact CB-CD1 4.27Å; L225-F475 HydrophobicContact CB-CD2 3.87Å; L225-F475 HydrophobicContact CB-CG 3.68Å; L225-F475 HydrophobicContact CD1-CB 3.61Å; L225-F475 HydrophobicContact CG-CB 4.32Å; L225-F475 WeakPolarHBondContact O-CD2 3.26Å; L225-F475 VanDerWaalsContact O-CE2 3.24Å; L225-F475 WeakPolarHBondContact O-CE2 3.24Å |
| 226 | L | 93.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.6 | 179.2 | -61.8 | 176.3 | 0 | 0 | 0 | 110.6 | L29 L39 W41 T177 L179 I224 L228 M334 | L29-L226 HydrophobicContact CD1-CD1 4.37Å; L29-L226 HydrophobicContact CD1-CD2 3.69Å; L39-L226 HydrophobicContact CD2-CD1 4.03Å; W41-L226 HydrophobicContact CH2-CD1 4.35Å; W41-L226 HydrophobicContact CZ3-CD1 4.3Å; T177-L226 WeakPolarHBondContact CA-O 3.1Å; T177-L226 WeakPolarHBondContact CB-O 3.18Å; T177-L226 PolarHBondContact N-O 2.98Å; T177-L226 PolarHBondContact O-N 2.68Å; T177-L226 VanDerWaalsContact O-N 3.11Å; L179-L226 HydrophobicContact CD1-CD1 4.23Å; I224-L226 HydrophobicContact CG2-CD1 4.17Å; I224-L226 HydrophobicContact CG2-CD2 3.91Å; I224-L226 HydrophobicContact CG2-CG 3.77Å; L226-L228 HydrophobicContact CB-CD2 4.14Å; L226-L228 HydrophobicContact CB-CG 4.36Å; L226-L228 HydrophobicContact CD1-CD2 3.94Å; L226-M334 HydrophobicContact CD2-CB 4.2Å; L226-M334 VanDerWaalsContact CD2-O 3.28Å; L226-M334 WeakPolarHBondContact CD2-O 3.39Å |
| 227 | Q | 93 | Very high | 84.9 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | trans | -91.8 | 104.5 | 155.8 | 179.3 | -163.4 | 39.2 | 0 | 0 | 107.6 | N174 I229 K230 F475 E477 | N174-Q227 WeakPolarHBondContact O-CG 3.36Å; N174-Q227 PolarHBondContact O-NE2 2.78Å; Q227-I229 WeakPolarHBondContact CG-O 3.33Å; Q227-K230 HydrophobicContact CG-CD 4.34Å; Q227-K230 WeakPolarHBondContact O-CE 3.1Å; Q227-K230 PolarHBondContact O-NZ 3.49Å; Q227-K230 VanDerWaalsContact OE1-CD 3.29Å; Q227-F475 HydrophobicContact CB-CE1 4.42Å; Q227-E477 WeakPolarHBondContact CB-OE1 3.03Å; Q227-E477 PolarHBondContact OE1-OE1 2.88Å | ||
| 228 | L | 93.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -75.5 | -35.6 | -174.6 | -70.2 | 173 | 0 | 0 | 0 | 112.6 | W41 I43 L55 F57 F81 I172 T177 L179 L226 | W41-L228 HydrophobicContact CD2-CD2 4.11Å; W41-L228 HydrophobicContact CG-CD2 4.36Å; W41-L228 HydrophobicContact CZ2-CD2 4.4Å; W41-L228 PolarHBondContact NE1-O 2.81Å; I43-L228 WeakPolarHBondContact CD1-O 3.19Å; L55-L228 HydrophobicContact CD2-CB 4.24Å; F57-L228 HydrophobicContact CE1-CD1 4.19Å; F57-L228 HydrophobicContact CE1-CD2 4.13Å; F57-L228 HydrophobicContact CZ-CD1 4.16Å; F81-L228 HydrophobicContact CD1-CD1 3.9Å; F81-L228 HydrophobicContact CE1-CD1 3.71Å; I172-L228 HydrophobicContact CD1-CD1 3.9Å; I172-L228 HydrophobicContact CG1-CD1 4.38Å; I172-L228 HydrophobicContact CG2-CB 3.74Å; I172-L228 HydrophobicContact CG2-CD1 3.89Å; I172-L228 HydrophobicContact CG2-CG 4.42Å; T177-L228 HydrophobicContact CG2-CD1 3.8Å; L179-L228 HydrophobicContact CD1-CD2 4.5Å; L226-L228 HydrophobicContact CB-CD2 4.14Å; L226-L228 HydrophobicContact CB-CG 4.36Å; L226-L228 HydrophobicContact CD1-CD2 3.94Å | ||
| 229 | I | 90.6 | Very high | 84.4 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -94.4 | 110.1 | 176.5 | -61 | 179.1 | 0 | 0 | 0 | 109.1 | I43 K53 L55 A162 I172 Q227 | I43-I229 HydrophobicContact CD1-CB 4.48Å; I43-I229 HydrophobicContact CD1-CG2 4.44Å; K53-I229 HydrophobicContact CD-CD1 4.19Å; K53-I229 HydrophobicContact CD-CG2 3.89Å; L55-I229 HydrophobicContact CD1-CD1 4.49Å; L55-I229 HydrophobicContact CD2-CG1 4.18Å; A162-I229 HydrophobicContact CB-CD1 3.94Å; I172-I229 HydrophobicContact CG2-CD1 4.14Å; I172-I229 HydrophobicContact CG2-CG1 4.07Å; I172-I229 WeakPolarHBondContact O-CD1 3.39Å; Q227-I229 WeakPolarHBondContact CG-O 3.33Å |
| 230 | K | 85.5 | Confident | 84.4 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | trans | -97.2 | 150.7 | 177.4 | -59.7 | -60.1 | -169.8 | -179.2 | 0 | 110.5 | Y27 Q227 E477 | Y27-K230 HydrophobicContact CE1-CB 4.31Å; Y27-K230 HydrophobicContact CE1-CG 3.88Å; Q227-K230 HydrophobicContact CG-CD 4.34Å; Q227-K230 WeakPolarHBondContact O-CE 3.1Å; Q227-K230 PolarHBondContact O-NZ 3.49Å; Q227-K230 VanDerWaalsContact OE1-CD 3.29Å; K230-E477 IonicContact NZ-OE1 2.71Å; K230-E477 PolarHBondContact NZ-OE1 3.01Å; K230-E477 VanDerWaalsContact NZ-OE1 3.15Å; K230-E477 IonicContact NZ-OE2 3.5Å; K230-E477 PolarHBondContact NZ-OE2 3.29Å | ||
| 231 | S | 84.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | trans | -68.8 | 132.2 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | S233 Q480 L481 D482 | S231-S233 VanDerWaalsContact C-N 3.32Å; S231-S233 PolarHBondContact OG-N 2.7Å; S231-Q480 WeakPolarHBondContact CB-O 3.49Å; S231-L481 PolarHBondContact OG-O 2.82Å; S231-D482 WeakPolarHBondContact OG-CA 3.49Å | ||
| 232 | S | 76.3 | Confident | 84.6 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 51% | 0.51 | 29% | 0.293 | S | S | . | . | trans | -84.6 | -3.4 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | Y234 T235 | S232-Y234 PolarHBondContact O-N 3.01Å; S232-T235 PolarHBondContact O-OG1 2.9Å | ||
| 233 | S | 70.8 | Confident | 84.8 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.9 | -166.4 | -74.7 | 0 | 0 | 0 | 0 | 115.1 | S231 D482 | S231-S233 VanDerWaalsContact C-N 3.32Å; S231-S233 PolarHBondContact OG-N 2.7Å; S233-D482 PolarHBondContact OG-O 2.9Å |
| 234 | Y | 60.8 | Low | 84.9 | Confident | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -145.2 | 29 | -172.7 | -48.3 | -81 | 0 | 0 | 0 | 114.2 | S232 D236 T340 P342 Q480 Q484 | S232-Y234 PolarHBondContact O-N 3.01Å; Y234-D236 VanDerWaalsContact C-N 3.31Å; Y234-T340 VanDerWaalsContact O-CB 3.26Å; Y234-T340 WeakPolarHBondContact O-CB 3.28Å; Y234-T340 WeakPolarHBondContact O-CG2 3.35Å; Y234-T340 PolarHBondContact O-OG1 3.38Å; Y234-T340 VanDerWaalsContact O-OG1 3.06Å; Y234-P342 HydrophobicContact CE1-CB 4.05Å; Y234-P342 HydrophobicContact CE1-CG 4.22Å; Y234-Q480 HydrophobicContact CD2-CG 3.73Å; Y234-Q480 HydrophobicContact CE2-CG 4.14Å; Y234-Q484 VanDerWaalsContact OH-CG 3.26Å; Y234-Q484 WeakPolarHBondContact OH-CG 3.33Å; Y234-Q484 PolarHBondContact OH-NE2 2.71Å |
| 235 | T | 63.7 | Low | 85.1 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26.6 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | S232 F237 | S232-T235 PolarHBondContact O-OG1 2.9Å; T235-F237 PolarHBondContact O-N 2.88Å |
| 236 | D | 67.6 | Low | 85.1 | Confident | 146 Ų | 146 | 64.1 Ų | 64.1 | 78% | 0.781 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 29.3 | -176.7 | -78.8 | -14.1 | 0 | 0 | 0 | 115.2 | Y234 K238 | Y234-D236 VanDerWaalsContact C-N 3.31Å; D236-K238 PolarHBondContact O-N 3Å; D236-K238 VanDerWaalsContact O-N 3.12Å |
| 237 | F | 82.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | trans | -62.3 | 117.7 | 176.9 | 179.5 | -103 | 0 | 0 | 0 | 111.4 | T235 V239 I243 V279 R280 T340 Y382 | T235-F237 PolarHBondContact O-N 2.88Å; F237-V239 HydrophobicContact CD1-CG2 4.39Å; F237-V239 HydrophobicContact CE1-CG2 3.93Å; F237-I243 HydrophobicContact CE1-CD1 4.49Å; F237-I243 HydrophobicContact CE2-CD1 4.06Å; F237-I243 HydrophobicContact CZ-CD1 3.6Å; F237-V279 HydrophobicContact CE2-CB 4.36Å; F237-V279 HydrophobicContact CE2-CG2 3.77Å; F237-V279 HydrophobicContact CZ-CG2 3.81Å; F237-R280 HydrophobicContact CD1-CB 4.39Å; F237-R280 HydrophobicContact CD1-CG 4.48Å; F237-R280 HydrophobicContact CE1-CB 4.11Å; F237-R280 HydrophobicContact CE2-CB 4.28Å; F237-R280 HydrophobicContact CZ-CB 4.03Å; F237-T340 HydrophobicContact CB-CG2 3.84Å; F237-T340 HydrophobicContact CD2-CG2 3.9Å; F237-T340 HydrophobicContact CG-CG2 4.16Å; F237-Y382 AromaticContact CE1-CD1 3.74Å; F237-Y382 HydrophobicContact CE1-CD1 3.74Å; F237-Y382 HydrophobicContact CE1-CE1 4.26Å; F237-Y382 AromaticContact CE1-CG 3.98Å; F237-Y382 HydrophobicContact CE1-CG 3.98Å; F237-Y382 HydrophobicContact CZ-CD1 4.27Å; F237-Y382 HydrophobicContact CZ-CG 4.28Å | ||
| 238 | K | 85 | Confident | 85.2 | Confident | 171 Ų | 171 | 66.3 Ų | 66.3 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | trans | -102.2 | 123.7 | 175.3 | -67.2 | -179.2 | -174.7 | 173.3 | 0 | 110.3 | D236 T240 | D236-K238 PolarHBondContact O-N 3Å; D236-K238 VanDerWaalsContact O-N 3.12Å; K238-T240 PolarHBondContact O-N 2.84Å | ||
| 239 | V | 87.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | trans | -69.7 | 113.6 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | F237 I243 Y382 | F237-V239 HydrophobicContact CD1-CG2 4.39Å; F237-V239 HydrophobicContact CE1-CG2 3.93Å; V239-I243 HydrophobicContact CG1-CB 4.24Å; V239-I243 HydrophobicContact CG1-CG2 4.32Å; V239-Y382 HydrophobicContact CG2-CD1 4.1Å; V239-Y382 HydrophobicContact CG2-CE1 3.75Å | ||
| 240 | T | 90.6 | Very high | 85.5 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | trans | -94.8 | 167.4 | 174.3 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | K238 D242 I243 | K238-T240 PolarHBondContact O-N 2.84Å; T240-D242 WeakPolarHBondContact CB-OD1 3.04Å; T240-D242 PolarHBondContact O-N 2.83Å; T240-D242 PolarHBondContact OG1-OD1 2.82Å; T240-I243 PolarHBondContact O-N 3.34Å; T240-I243 VanDerWaalsContact O-N 3.12Å; T240-I243 WeakPolarHBondContact OG1-CD1 3.44Å; T240-I243 WeakPolarHBondContact OG1-CG1 3.24Å | ||
| 241 | E | 92 | Very high | 85.8 | Confident | 207 Ų | 207 | 74 Ų | 74 | 97% | 0.967 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -24.7 | -175.6 | -66.5 | -176.7 | 173.6 | 0 | 0 | 114.4 | I243 | E241-I243 VanDerWaalsContact C-N 3.29Š|
| 242 | D | 93.4 | Very high | 86.3 | Confident | 36 Ų | 36 | 80.3 Ų | 80.3 | 19% | 0.193 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.8 | 177.9 | 63.2 | -68 | 0 | 0 | 0 | 113.6 | T240 T384 Q386 | T240-D242 WeakPolarHBondContact CB-OD1 3.04Å; T240-D242 PolarHBondContact O-N 2.83Å; T240-D242 PolarHBondContact OG1-OD1 2.82Å; D242-T384 WeakPolarHBondContact OD2-CB 3.41Å; D242-T384 PolarHBondContact OD2-OG1 3.24Å; D242-Q386 HydrophobicContact CB-CG 4.11Å |
| 243 | I | 95.1 | Very high | 87.2 | Confident | 23 Ų | 23 | 77 Ų | 77 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.1 | -176.2 | -61.4 | 179.1 | 0 | 0 | 0 | 110.1 | F237 V239 T240 E241 V279 Y382 I383 | F237-I243 HydrophobicContact CE1-CD1 4.49Å; F237-I243 HydrophobicContact CE2-CD1 4.06Å; F237-I243 HydrophobicContact CZ-CD1 3.6Å; V239-I243 HydrophobicContact CG1-CB 4.24Å; V239-I243 HydrophobicContact CG1-CG2 4.32Å; T240-I243 PolarHBondContact O-N 3.34Å; T240-I243 VanDerWaalsContact O-N 3.12Å; T240-I243 WeakPolarHBondContact OG1-CD1 3.44Å; T240-I243 WeakPolarHBondContact OG1-CG1 3.24Å; E241-I243 VanDerWaalsContact C-N 3.29Å; I243-V279 HydrophobicContact CD1-CG2 4.34Å; I243-Y382 HydrophobicContact CG2-CD1 3.94Å; I243-Y382 HydrophobicContact CG2-CG 4.4Å; I243-I383 CarbonylContact C-O 3.57Å; I243-I383 WeakPolarHBondContact CA-O 3.21Å |
| 244 | K | 94.6 | Very high | 88.3 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 138.4 | 172.4 | -63.4 | 179 | -175 | 170 | 0 | 109.9 | I383 | K244-I383 PolarHBondContact N-O 2.96Å; K244-I383 PolarHBondContact O-N 3.26Å |
| 245 | I | 95.3 | Very high | 89.9 | Confident | 91 Ų | 91 | 78.3 Ų | 78.3 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.2 | 176.1 | -57.3 | 174 | 0 | 0 | 0 | 108.5 | R380 F381 Y382 | I245-R380 HydrophobicContact CG2-CB 4.32Å; I245-R380 HydrophobicContact CG2-CG 4.03Å; I245-F381 CarbonylContact C-O 3.46Å; I245-F381 WeakPolarHBondContact CA-O 3.48Å; I245-Y382 HydrophobicContact CD1-CD1 4.31Å; I245-Y382 HydrophobicContact CD1-CE1 3.78Å; I245-Y382 HydrophobicContact CG1-CD1 3.89Å; I245-Y382 HydrophobicContact CG1-CE1 3.85Å |
| 246 | F | 93.6 | Very high | 91.4 | Very high | 64 Ų | 64 | 76 Ų | 76 | 28% | 0.281 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 117.5 | 174.5 | 178.3 | -99.6 | 0 | 0 | 0 | 109.9 | L248 P270 F381 I383 | F246-L248 HydrophobicContact CD1-CB 4.31Å; F246-L248 HydrophobicContact CE1-CB 3.88Å; F246-L248 HydrophobicContact CE1-CD1 4.27Å; F246-L248 HydrophobicContact CE1-CG 4.47Å; F246-P270 HydrophobicContact CD1-CB 4.15Å; F246-P270 HydrophobicContact CD1-CG 3.69Å; F246-P270 HydrophobicContact CD2-CB 3.82Å; F246-P270 HydrophobicContact CD2-CG 4.26Å; F246-P270 HydrophobicContact CE1-CB 4.15Å; F246-P270 VanDerWaalsContact CE1-CD 3.49Å; F246-P270 HydrophobicContact CE1-CG 3.86Å; F246-P270 HydrophobicContact CE2-CB 3.83Å; F246-P270 HydrophobicContact CE2-CG 4.4Å; F246-P270 HydrophobicContact CG-CB 3.98Å; F246-P270 HydrophobicContact CG-CG 3.9Å; F246-P270 HydrophobicContact CZ-CB 3.99Å; F246-P270 HydrophobicContact CZ-CG 4.21Å; F246-F381 HydrophobicContact CD1-CD2 4.34Å; F246-F381 PolarHBondContact N-O 2.92Å; F246-F381 PolarHBondContact O-N 3.34Å; F246-I383 HydrophobicContact CB-CD1 3.69Å; F246-I383 HydrophobicContact CG-CD1 4.45Å |
| 247 | S | 94.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.2 | 173.8 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | H249 D284 F379 R380 | S247-H249 VanDerWaalsContact CB-CE1 3.44Å; S247-H249 WeakPolarHBondContact CB-CE1 3.37Å; S247-D284 PolarHBondContact OG-OD2 2.85Å; S247-F379 CarbonylContact C-O 3.59Å; S247-F379 WeakPolarHBondContact CA-O 3.41Å; S247-R380 VanDerWaalsContact OG-CG 3.23Å; S247-R380 WeakPolarHBondContact OG-CG 3.23Å |
| 248 | L | 93.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 109 | -179.1 | 179.6 | 156.1 | 0 | 0 | 0 | 107.7 | F246 I267 L269 V298 I360 G378 F379 F381 | F246-L248 HydrophobicContact CD1-CB 4.31Å; F246-L248 HydrophobicContact CE1-CB 3.88Å; F246-L248 HydrophobicContact CE1-CD1 4.27Å; F246-L248 HydrophobicContact CE1-CG 4.47Å; L248-I267 HydrophobicContact CD1-CD1 3.56Å; L248-I267 HydrophobicContact CD2-CD1 3.33Å; L248-I267 HydrophobicContact CG-CD1 3.71Å; L248-L269 HydrophobicContact CD1-CD2 3.88Å; L248-V298 HydrophobicContact CD2-CG2 4.19Å; L248-I360 HydrophobicContact CD2-CB 4.35Å; L248-I360 HydrophobicContact CD2-CD1 3.84Å; L248-G378 CarbonylContact O-C 3.55Å; L248-G378 VanDerWaalsContact O-CA 3.3Å; L248-G378 WeakPolarHBondContact O-CA 3.22Å; L248-F379 PolarHBondContact N-O 3.38Å; L248-F379 PolarHBondContact O-N 2.86Å; L248-F381 HydrophobicContact CB-CD2 4.17Å; L248-F381 HydrophobicContact CB-CE2 3.95Å; L248-F381 HydrophobicContact CD1-CD2 4.43Å; L248-F381 HydrophobicContact CD1-CE2 3.74Å; L248-F381 HydrophobicContact CG-CE2 4.35Å |
| 249 | H | 93.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.319 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.1 | -171 | -59 | 152.6 | 0 | 0 | 0 | 112.3 | S247 D284 S377 | S247-H249 VanDerWaalsContact CB-CE1 3.44Å; S247-H249 WeakPolarHBondContact CB-CE1 3.37Å; H249-D284 IonicContact CE1-OD2 2.81Å; H249-D284 PolarHBondContact CE1-OD2 3.25Å; H249-D284 WeakPolarHBondContact NE2-CB 3.49Å; H249-D284 IonicContact NE2-OD2 3.95Å; H249-D284 PolarHBondContact NE2-OD2 3.35Å; H249-S377 WeakPolarHBondContact CA-O 3.3Å |
| 250 | V | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | trans | -69.7 | 161.8 | 155.3 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | V253 K265 I360 I362 D375 N376 S377 | V250-V253 HydrophobicContact CB-CG2 3.66Å; V250-V253 HydrophobicContact CG1-CG2 4.34Å; V250-V253 HydrophobicContact CG2-CB 4.18Å; V250-V253 HydrophobicContact CG2-CG2 3.76Å; V250-K265 HydrophobicContact CB-CD 3.97Å; V250-K265 HydrophobicContact CG1-CB 4.25Å; V250-K265 HydrophobicContact CG1-CD 3.93Å; V250-I360 HydrophobicContact CG1-CD1 4.42Å; V250-I360 HydrophobicContact CG1-CG2 3.74Å; V250-I362 HydrophobicContact CB-CD1 4.41Å; V250-I362 HydrophobicContact CG1-CD1 3.59Å; V250-I362 HydrophobicContact CG1-CG1 4.36Å; V250-I362 HydrophobicContact CG2-CD1 3.92Å; V250-D375 WeakPolarHBondContact CG2-OD2 3.41Å; V250-N376 VanDerWaalsContact O-CA 3.25Å; V250-N376 WeakPolarHBondContact O-CA 3.48Å; V250-N376 WeakPolarHBondContact O-CB 3.36Å; V250-S377 PolarHBondContact N-O 2.99Å | ||
| 251 | H | 92.4 | Very high | 93.6 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | trans | -129.7 | 116.1 | -177.5 | -172.9 | 68.7 | 0 | 0 | 0 | 110.1 | V253 | H251-V253 VanDerWaalsContact C-N 3.27Å; H251-V253 PolarHBondContact O-N 3.45Å | ||
| 252 | K | 93.9 | Very high | 93.6 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 63% | 0.626 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 50.3 | 42.8 | 177.6 | -60.9 | 179.1 | -179.5 | 177.4 | 0 | 113.7 | E254 I374 D375 N376 | K252-E254 PolarHBondContact O-N 3.31Å; K252-I374 HydrophobicContact CB-CG2 4.17Å; K252-D375 PolarHBondContact N-O 2.55Å; K252-N376 PolarHBondContact N-OD1 2.99Å |
| 253 | V | 95.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.3 | 173 | 171.7 | 0 | 0 | 0 | 0 | 108 | V250 H251 V255 W263 Y364 I374 D375 | V250-V253 HydrophobicContact CB-CG2 3.66Å; V250-V253 HydrophobicContact CG1-CG2 4.34Å; V250-V253 HydrophobicContact CG2-CB 4.18Å; V250-V253 HydrophobicContact CG2-CG2 3.76Å; H251-V253 VanDerWaalsContact C-N 3.27Å; H251-V253 PolarHBondContact O-N 3.45Å; V253-V255 PolarHBondContact O-N 2.97Å; V253-W263 HydrophobicContact CG1-CD2 3.68Å; V253-W263 HydrophobicContact CG1-CE3 4.16Å; V253-W263 HydrophobicContact CG1-CG 3.95Å; V253-W263 HydrophobicContact CG1-CZ2 4.08Å; V253-W263 HydrophobicContact CG2-CZ2 4.48Å; V253-Y364 HydrophobicContact CG1-CE2 4.09Å; V253-I374 CarbonylContact O-C 3.46Å; V253-I374 WeakPolarHBondContact O-CA 3.36Å; V253-D375 HydrophobicContact CB-CB 4.48Å; V253-D375 PolarHBondContact N-O 3.45Å; V253-D375 VanDerWaalsContact N-O 3.08Å; V253-D375 PolarHBondContact O-N 2.58Å |
| 254 | E | 95.2 | Very high | 93.7 | Very high | 118 Ų | 118 | 56.6 Ų | 56.6 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 111.4 | 169.7 | -175.5 | 170.8 | -172.2 | 0 | 0 | 108.1 | K252 P256 I373 I374 | K252-E254 PolarHBondContact O-N 3.31Å; E254-P256 VanDerWaalsContact O-CD 3.27Å; E254-P256 WeakPolarHBondContact O-CD 3.45Å; E254-I373 WeakPolarHBondContact CA-O 3.25Å; E254-I374 HydrophobicContact CB-CD1 3.77Å; E254-I374 HydrophobicContact CG-CD1 3.92Å |
| 255 | V | 94.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | trans | -64.5 | 121.7 | 179.6 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | V253 Y364 I373 D375 | V253-V255 PolarHBondContact O-N 2.97Å; V255-Y364 HydrophobicContact CB-CD1 4.48Å; V255-Y364 HydrophobicContact CG1-CD1 3.93Å; V255-Y364 HydrophobicContact CG1-CD2 4.29Å; V255-Y364 HydrophobicContact CG1-CG 3.74Å; V255-Y364 HydrophobicContact CG2-CD1 3.7Å; V255-Y364 HydrophobicContact CG2-CD2 4.47Å; V255-Y364 HydrophobicContact CG2-CE1 3.57Å; V255-Y364 HydrophobicContact CG2-CE2 4.35Å; V255-Y364 HydrophobicContact CG2-CG 4.15Å; V255-I373 HydrophobicContact CB-CB 4.09Å; V255-I373 HydrophobicContact CB-CG2 4.17Å; V255-I373 HydrophobicContact CG2-CB 4.27Å; V255-I373 HydrophobicContact CG2-CG2 3.81Å; V255-I373 PolarHBondContact N-O 2.89Å; V255-D375 HydrophobicContact CG2-CB 4.09Å | ||
| 256 | P | 94 | Very high | 93.6 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | trans | -60.9 | 143 | -178.8 | -28.6 | 39.6 | 0 | 0 | 0 | 112.4 | E254 V258 T261 W263 N366 | E254-P256 VanDerWaalsContact O-CD 3.27Å; E254-P256 WeakPolarHBondContact O-CD 3.45Å; P256-V258 HydrophobicContact CB-CG2 4.01Å; P256-V258 PolarHBondContact O-N 2.81Å; P256-T261 HydrophobicContact CG-CG2 3.88Å; P256-W263 HydrophobicContact CG-CE3 4.42Å; P256-W263 HydrophobicContact CG-CZ3 4.15Å; P256-N366 PolarHBondContact O-ND2 2.85Å; P256-N366 VanDerWaalsContact O-ND2 3.09Å | ||
| 257 | A | 94.4 | Very high | 93.6 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -78.7 | 52.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S371 | A257-S371 VanDerWaalsContact CB-OG 3.28Å; A257-S371 WeakPolarHBondContact CB-OG 3.27Å |
| 258 | V | 93.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -134.6 | 154.1 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | P256 T260 T261 N369 | P256-V258 HydrophobicContact CB-CG2 4.01Å; P256-V258 PolarHBondContact O-N 2.81Å; V258-T260 VanDerWaalsContact C-N 3.27Å; V258-T260 PolarHBondContact O-N 3.18Å; V258-T260 VanDerWaalsContact O-N 3.13Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.47Å; V258-N369 VanDerWaalsContact CA-OD1 3.27Å; V258-N369 WeakPolarHBondContact CA-OD1 3.4Å |
| 259 | E | 88 | Confident | 93.2 | Very high | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -51.4 | -41.8 | -172.9 | -179.1 | 175.5 | -167.9 | 0 | 0 | 114.4 | Y365 N366 N369 | E259-Y365 HydrophobicContact CG-CD2 4.33Å; E259-Y365 HydrophobicContact CG-CE2 3.78Å; E259-Y365 CarbonylContact O-C 3.57Å; E259-Y365 WeakPolarHBondContact O-CA 3.25Å; E259-Y365 WeakPolarHBondContact O-CD2 3.32Å; E259-N366 WeakPolarHBondContact CA-O 3.06Å; E259-N366 PolarHBondContact O-N 3.11Å; E259-N369 PolarHBondContact N-OD1 2.96Å |
| 260 | T | 90.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.8 | -175.2 | -70.9 | 0 | 0 | 0 | 0 | 111 | V258 Y262 H363 Y364 | V258-T260 VanDerWaalsContact C-N 3.27Å; V258-T260 PolarHBondContact O-N 3.18Å; V258-T260 VanDerWaalsContact O-N 3.13Å; T260-Y262 HydrophobicContact CG2-CD2 4.22Å; T260-Y262 HydrophobicContact CG2-CE2 3.67Å; T260-H363 VanDerWaalsContact CG2-NE2 3.28Å; T260-H363 WeakPolarHBondContact CG2-NE2 3.44Å; T260-Y364 WeakPolarHBondContact CA-O 3.37Å |
| 261 | T | 92.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 130.9 | 174.8 | -62 | 0 | 0 | 0 | 0 | 110.7 | P256 V258 W263 H363 Y364 | P256-T261 HydrophobicContact CG-CG2 3.88Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.47Å; T261-W263 HydrophobicContact CG2-CE3 4.16Å; T261-H363 CarbonylContact O-C 3.56Å; T261-H363 WeakPolarHBondContact O-CA 3.24Å; T261-Y364 PolarHBondContact N-O 3.2Å; T261-Y364 PolarHBondContact O-N 2.89Å |
| 262 | Y | 92.2 | Very high | 92.2 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.4 | 165.5 | -64.1 | -98.2 | 0 | 0 | 0 | 107.9 | T260 H295 P312 C313 E361 H363 H474 | T260-Y262 HydrophobicContact CG2-CD2 4.22Å; T260-Y262 HydrophobicContact CG2-CE2 3.67Å; Y262-H295 AromaticContact CE1-CE1 3.89Å; Y262-H295 AromaticContact CE1-NE2 3.86Å; Y262-P312 CarbonylContact O-C 3.35Å; Y262-P312 VanDerWaalsContact O-CA 3.25Å; Y262-P312 WeakPolarHBondContact O-CA 3.23Å; Y262-C313 PolarHBondContact O-N 3.44Å; Y262-E361 WeakPolarHBondContact CD1-OE1 3.47Å; Y262-H363 HydrophobicContact CD1-CB 3.89Å; Y262-H363 HydrophobicContact CE1-CB 3.8Å; Y262-H363 AromaticContact CE1-CD2 3.71Å; Y262-H363 AromaticContact CE1-CG 3.59Å; Y262-H363 AromaticContact CE2-CD2 3.78Å; Y262-H363 AromaticContact CE2-NE2 3.95Å; Y262-H363 AromaticContact CZ-CD2 3.53Å; Y262-H363 AromaticContact CZ-CG 3.81Å; Y262-H363 AromaticContact CZ-NE2 3.68Å; Y262-H474 PolarHBondContact OH-ND1 3.25Å |
| 263 | W | 95.4 | Very high | 91.9 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.9 | -176.7 | -166.4 | -82.8 | 0 | 0 | 0 | 110.7 | V253 P256 T261 D310 P312 E361 I362 Y364 | V253-W263 HydrophobicContact CG1-CD2 3.68Å; V253-W263 HydrophobicContact CG1-CE3 4.16Å; V253-W263 HydrophobicContact CG1-CG 3.95Å; V253-W263 HydrophobicContact CG1-CZ2 4.08Å; V253-W263 HydrophobicContact CG2-CZ2 4.48Å; P256-W263 HydrophobicContact CG-CE3 4.42Å; P256-W263 HydrophobicContact CG-CZ3 4.15Å; T261-W263 HydrophobicContact CG2-CE3 4.16Å; W263-D310 PolarHBondContact NE1-OD1 3.48Å; W263-P312 HydrophobicContact CE3-CG 4.15Å; W263-P312 HydrophobicContact CZ3-CG 4.02Å; W263-E361 CarbonylContact O-C 3.42Å; W263-E361 VanDerWaalsContact O-CA 3.29Å; W263-E361 WeakPolarHBondContact O-CA 3.44Å; W263-I362 PolarHBondContact N-O 2.82Å; W263-I362 PolarHBondContact O-N 2.85Å; W263-Y364 HydrophobicContact CB-CD2 4.08Å; W263-Y364 HydrophobicContact CB-CE2 3.66Å; W263-Y364 HydrophobicContact CG-CE2 4.26Å |
| 264 | C | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.3 | -178.2 | -84 | 0 | 0 | 0 | 0 | 109.9 | Y309 D310 A311 C313 V359 I360 | C264-Y309 HydrophobicContact CB-CD1 3.95Å; C264-Y309 HydrophobicContact CB-CE1 3.65Å; C264-Y309 WeakPolarHBondContact O-CD1 3.37Å; C264-D310 WeakPolarHBondContact O-CA 3.17Å; C264-A311 PolarHBondContact N-O 2.85Å; C264-A311 PolarHBondContact O-N 3.21Å; C264-A311 VanDerWaalsContact O-N 3.08Å; C264-A311 VanDerWaalsContact O-O 3.09Å; C264-C313 VanDerWaalsContact CA-SG 3.55Å; C264-C313 HydrophobicContact CB-CB 3.95Å; C264-C313 WeakPolarHBondContact CB-SG 3.2Å; C264-C313 PolarHBondContact N-SG 2.86Å; C264-C313 WeakPolarHBondContact SG-CB 3.15Å; C264-C313 CovalentContact SG-SG 2.03Å; C264-C313 PolarHBondContact SG-SG 3.08Å; C264-V359 HydrophobicContact CB-CG1 4.06Å; C264-I360 CarbonylContact C-O 3.53Å; C264-I360 WeakPolarHBondContact CA-O 3.46Å |
| 265 | K | 95 | Very high | 91.6 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.2 | 176.3 | -175.1 | -177.5 | -176.4 | 111 | 0 | 111.6 | V250 I267 Y308 Y309 D310 V359 I360 | V250-K265 HydrophobicContact CB-CD 3.97Å; V250-K265 HydrophobicContact CG1-CB 4.25Å; V250-K265 HydrophobicContact CG1-CD 3.93Å; K265-I267 HydrophobicContact CD-CG2 4.44Å; K265-I267 HydrophobicContact CG-CG2 4.36Å; K265-Y308 PolarHBondContact NZ-OH 3.15Å; K265-Y309 CarbonylContact C-O 3.48Å; K265-Y309 VanDerWaalsContact CA-O 3.26Å; K265-Y309 WeakPolarHBondContact CA-O 3.45Å; K265-D310 HydrophobicContact CG-CB 4.22Å; K265-D310 IonicContact NZ-OD1 2.68Å; K265-D310 IonicContact NZ-OD2 3.4Å; K265-D310 PolarHBondContact NZ-OD2 3.14Å; K265-V359 CarbonylContact O-C 3.57Å; K265-V359 WeakPolarHBondContact O-CA 3.26Å; K265-I360 HydrophobicContact CB-CG2 3.83Å; K265-I360 PolarHBondContact N-O 2.87Å; K265-I360 PolarHBondContact O-N 3.19Å |
| 266 | T | 94.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 48.3 Ų | 48.3 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 134.4 | 170.3 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | K306 R307 Y309 Y357 A358 | T266-K306 HydrophobicContact CG2-CB 4.08Å; T266-R307 PolarHBondContact OG1-O 2.62Å; T266-Y309 PolarHBondContact N-O 2.79Å; T266-Y309 WeakPolarHBondContact OG1-CB 3.14Å; T266-Y309 PolarHBondContact OG1-N 3.48Å; T266-Y357 HydrophobicContact CG2-CD1 4.17Å; T266-A358 WeakPolarHBondContact CA-O 3.35Å |
| 267 | I | 92.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 149.1 | -174 | 45.7 | 169.8 | 0 | 0 | 0 | 110.2 | L248 K265 V298 Y357 A358 I360 | L248-I267 HydrophobicContact CD1-CD1 3.56Å; L248-I267 HydrophobicContact CD2-CD1 3.33Å; L248-I267 HydrophobicContact CG-CD1 3.71Å; K265-I267 HydrophobicContact CD-CG2 4.44Å; K265-I267 HydrophobicContact CG-CG2 4.36Å; I267-V298 HydrophobicContact CD1-CG1 4.12Å; I267-Y357 WeakPolarHBondContact O-CA 3.01Å; I267-A358 HydrophobicContact CD1-CB 3.92Å; I267-A358 HydrophobicContact CG1-CB 3.89Å; I267-A358 WeakPolarHBondContact CG1-O 3.44Å; I267-A358 PolarHBondContact N-O 3Å; I267-A358 PolarHBondContact O-N 2.89Å; I267-I360 HydrophobicContact CD1-CB 3.74Å; I267-I360 HydrophobicContact CD1-CG2 4.01Å; I267-I360 HydrophobicContact CG1-CG2 4.44Å; I267-I360 HydrophobicContact CG2-CG2 3.96Å |
| 268 | E | 90.2 | Very high | 91.8 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 129.1 | 171.3 | -71.5 | -170.6 | -175.6 | 0 | 0 | 109.4 | K355 Y357 | E268-K355 IonicContact OE1-NZ 3.9Å; E268-K355 IonicContact OE2-NZ 3.59Å; E268-K355 PolarHBondContact OE2-NZ 2.86Å; E268-Y357 HydrophobicContact CG-CD1 3.86Å; E268-Y357 HydrophobicContact CG-CE1 3.32Å; E268-Y357 PolarHBondContact OE1-OH 3.24Å |
| 269 | L | 89.2 | Confident | 91.9 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 153.3 | 169 | -68.8 | -180 | 0 | 0 | 0 | 109.9 | L248 Y271 R300 I329 E356 A358 | L248-L269 HydrophobicContact CD1-CD2 3.88Å; L269-Y271 PolarHBondContact O-N 3.42Å; L269-R300 HydrophobicContact CD1-CG 4.27Å; L269-I329 HydrophobicContact CD1-CD1 4.21Å; L269-I329 HydrophobicContact CD2-CD1 3.96Å; L269-E356 HydrophobicContact CB-CB 4.21Å; L269-E356 HydrophobicContact CD1-CB 4.05Å; L269-E356 PolarHBondContact N-O 3.23Å; L269-A358 HydrophobicContact CD1-CB 4.31Å; L269-A358 HydrophobicContact CD2-CB 3.95Å; L269-A358 HydrophobicContact CG-CB 4.02Å |
| 270 | P | 87.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 13% | 0.13 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 126 | -179.4 | 25.7 | -31.5 | 0 | 0 | 0 | 110.1 | F246 F272 I349 I383 | F246-P270 HydrophobicContact CD1-CB 4.15Å; F246-P270 HydrophobicContact CD1-CG 3.69Å; F246-P270 HydrophobicContact CD2-CB 3.82Å; F246-P270 HydrophobicContact CD2-CG 4.26Å; F246-P270 HydrophobicContact CE1-CB 4.15Å; F246-P270 VanDerWaalsContact CE1-CD 3.49Å; F246-P270 HydrophobicContact CE1-CG 3.86Å; F246-P270 HydrophobicContact CE2-CB 3.83Å; F246-P270 HydrophobicContact CE2-CG 4.4Å; F246-P270 HydrophobicContact CG-CB 3.98Å; F246-P270 HydrophobicContact CG-CG 3.9Å; F246-P270 HydrophobicContact CZ-CB 3.99Å; F246-P270 HydrophobicContact CZ-CG 4.21Å; P270-F272 HydrophobicContact CB-CE2 3.7Å; P270-F272 HydrophobicContact CB-CZ 3.82Å; P270-F272 HydrophobicContact CG-CE2 3.88Å; P270-F272 HydrophobicContact CG-CZ 4.29Å; P270-I349 HydrophobicContact CG-CD1 4.28Å; P270-I383 HydrophobicContact CG-CD1 3.85Å |
| 271 | Y | 85.3 | Confident | 92.5 | Very high | 121 Ų | 121 | 35.4 Ų | 35.4 | 48% | 0.475 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -91.5 | 128 | 178.5 | 174.9 | -106.2 | 0 | 0 | 0 | 111.1 | L269 G354 K355 | L269-Y271 PolarHBondContact O-N 3.42Å; Y271-G354 WeakPolarHBondContact CD2-O 3.45Å; Y271-K355 HydrophobicContact CG-CG 4.4Å |
| 272 | F | 88.1 | Confident | 92.5 | Very high | 35 Ų | 35 | 36 Ų | 36 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | trans | -125 | 134.8 | 172 | -53.4 | -78.5 | 0 | 0 | 0 | 108.7 | P270 E274 H276 I349 G351 I383 | P270-F272 HydrophobicContact CB-CE2 3.7Å; P270-F272 HydrophobicContact CB-CZ 3.82Å; P270-F272 HydrophobicContact CG-CE2 3.88Å; P270-F272 HydrophobicContact CG-CZ 4.29Å; F272-E274 VanDerWaalsContact CB-O 3.3Å; F272-E274 WeakPolarHBondContact CB-O 3.49Å; F272-E274 PolarHBondContact O-N 2.74Å; F272-H276 WeakPolarHBondContact CB-ND1 3.41Å; F272-H276 AromaticContact CD1-CD2 3.99Å; F272-H276 AromaticContact CD1-CE1 3.75Å; F272-H276 AromaticContact CD1-NE2 3.67Å; F272-H276 HydrophobicContact CD2-CB 4.13Å; F272-H276 AromaticContact CD2-CG 3.97Å; F272-H276 HydrophobicContact CG-CB 4.47Å; F272-H276 AromaticContact CG-CE1 3.71Å; F272-H276 AromaticContact CG-CG 3.83Å; F272-H276 AromaticContact CG-ND1 3.58Å; F272-I349 HydrophobicContact CD2-CD1 4.11Å; F272-I349 HydrophobicContact CD2-CG1 4.37Å; F272-I349 HydrophobicContact CE2-CD1 3.63Å; F272-I349 HydrophobicContact CE2-CG1 4.37Å; F272-G351 PolarHBondContact O-N 3.29Å; F272-I383 HydrophobicContact CE2-CD1 4.04Å; F272-I383 HydrophobicContact CE2-CG2 4.04Å; F272-I383 HydrophobicContact CZ-CD1 3.96Å; F272-I383 HydrophobicContact CZ-CG2 4.07Å | ||
| 273 | S | 88.4 | Confident | 92.6 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 53% | 0.531 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -68.1 | -27.8 | 176 | 54.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 274 | E | 91.7 | Very high | 92.6 | Very high | 127 Ų | 127 | 35.7 Ų | 35.7 | 59% | 0.593 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -103.5 | 151.8 | 176.2 | -57.5 | -62.9 | 158.4 | 0 | 0 | 109.9 | F272 H276 | F272-E274 VanDerWaalsContact CB-O 3.3Å; F272-E274 WeakPolarHBondContact CB-O 3.49Å; F272-E274 PolarHBondContact O-N 2.74Å; E274-H276 PolarHBondContact O-ND1 3.11Å |
| 275 | P | 92.6 | Very high | 92.5 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 139.5 | 173.8 | -21.1 | 32.5 | 0 | 0 | 0 | 112 | L387 | P275-L387 HydrophobicContact CB-CD1 4.14Å; P275-L387 HydrophobicContact CB-CD2 4.2Å |
| 276 | H | 94.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.06 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.2 | 174 | -73.2 | 59.5 | 0 | 0 | 0 | 109.8 | F272 E274 I349 I383 T384 N385 | F272-H276 WeakPolarHBondContact CB-ND1 3.41Å; F272-H276 AromaticContact CD1-CD2 3.99Å; F272-H276 AromaticContact CD1-CE1 3.75Å; F272-H276 AromaticContact CD1-NE2 3.67Å; F272-H276 HydrophobicContact CD2-CB 4.13Å; F272-H276 AromaticContact CD2-CG 3.97Å; F272-H276 HydrophobicContact CG-CB 4.47Å; F272-H276 AromaticContact CG-CE1 3.71Å; F272-H276 AromaticContact CG-CG 3.83Å; F272-H276 AromaticContact CG-ND1 3.58Å; E274-H276 PolarHBondContact O-ND1 3.11Å; H276-I349 HydrophobicContact CB-CG1 4.02Å; H276-I349 PolarHBondContact N-O 2.99Å; H276-I349 PolarHBondContact O-N 3.3Å; H276-I383 HydrophobicContact CB-CG2 3.7Å; H276-T384 CarbonylContact C-O 3.55Å; H276-T384 WeakPolarHBondContact CA-O 3.38Å; H276-T384 WeakPolarHBondContact CB-O 3.43Å; H276-N385 WeakPolarHBondContact NE2-CB 3.2Å |
| 277 | H | 96 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131 | 173.9 | -78.5 | -172.3 | 0 | 0 | 0 | 111.2 | V279 Y347 I383 T384 R388 D391 | H277-V279 HydrophobicContact CB-CG1 4.22Å; H277-Y347 CarbonylContact C-O 3.53Å; H277-Y347 WeakPolarHBondContact CA-O 3.43Å; H277-I383 CarbonylContact O-C 3.57Å; H277-I383 VanDerWaalsContact O-CA 3.3Å; H277-I383 WeakPolarHBondContact O-CA 3.41Å; H277-T384 HydrophobicContact CB-CG2 4.13Å; H277-T384 PolarHBondContact N-O 2.91Å; H277-T384 PolarHBondContact O-N 2.76Å; H277-R388 PolarHBondContact ND1-N 2.99Å; H277-D391 IonicContact CE1-OD1 2.85Å; H277-D391 IonicContact NE2-OD1 3.68Å; H277-D391 PolarHBondContact NE2-OD1 2.83Å |
| 278 | I | 95.8 | Very high | 91.8 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.9 | 157.1 | -51.7 | 175.2 | 0 | 0 | 0 | 107.2 | R280 G346 Y347 I349 F381 Y382 I383 | I278-R280 WeakPolarHBondContact CG2-O 3.44Å; I278-G346 CarbonylContact O-C 3.53Å; I278-G346 WeakPolarHBondContact O-CA 3.42Å; I278-Y347 HydrophobicContact CD1-CD1 3.96Å; I278-Y347 HydrophobicContact CG1-CD1 4.48Å; I278-Y347 PolarHBondContact N-O 2.8Å; I278-Y347 PolarHBondContact O-N 2.83Å; I278-I349 HydrophobicContact CD1-CD1 4.21Å; I278-I349 HydrophobicContact CD1-CG2 3.78Å; I278-I349 HydrophobicContact CG1-CD1 3.7Å; I278-I349 HydrophobicContact CG1-CG1 4.21Å; I278-I349 HydrophobicContact CG1-CG2 3.98Å; I278-F381 HydrophobicContact CD1-CD1 3.82Å; I278-F381 HydrophobicContact CD1-CE1 4.17Å; I278-F381 HydrophobicContact CD1-CG 4.49Å; I278-F381 HydrophobicContact CG2-CB 4.47Å; I278-F381 HydrophobicContact CG2-CD1 3.78Å; I278-Y382 WeakPolarHBondContact CA-O 3.43Å; I278-I383 HydrophobicContact CG1-CG1 4.27Å |
| 279 | V | 95.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -14.3 | -178.5 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | F237 I243 H277 F341 Y382 T384 R388 | F237-V279 HydrophobicContact CE2-CB 4.36Å; F237-V279 HydrophobicContact CE2-CG2 3.77Å; F237-V279 HydrophobicContact CZ-CG2 3.81Å; I243-V279 HydrophobicContact CD1-CG2 4.34Å; H277-V279 HydrophobicContact CB-CG1 4.22Å; V279-F341 WeakPolarHBondContact O-CB 3.38Å; V279-F341 PolarHBondContact O-N 3.37Å; V279-Y382 WeakPolarHBondContact CG2-O 3.48Å; V279-Y382 PolarHBondContact N-O 2.85Å; V279-T384 HydrophobicContact CG1-CG2 3.68Å; V279-R388 VanDerWaalsContact CG1-CZ 3.49Å |
| 280 | R | 95.1 | Very high | 91.7 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 151 | 172.2 | 173.5 | 175.9 | 173.7 | 70.1 | 9.7 | 109.8 | F237 I278 E282 T337 L339 T340 Y382 | F237-R280 HydrophobicContact CD1-CB 4.39Å; F237-R280 HydrophobicContact CD1-CG 4.48Å; F237-R280 HydrophobicContact CE1-CB 4.11Å; F237-R280 HydrophobicContact CE2-CB 4.28Å; F237-R280 HydrophobicContact CZ-CB 4.03Å; I278-R280 WeakPolarHBondContact CG2-O 3.44Å; R280-E282 IonicContact CZ-OE2 3.66Å; R280-E282 IonicContact NE-OE2 2.79Å; R280-E282 PolarHBondContact NE-OE2 2.9Å; R280-E282 IonicContact NH2-OE2 3.66Å; R280-E282 PolarHBondContact NH2-OE2 3.16Å; R280-T337 PolarHBondContact NH2-O 2.83Å; R280-L339 VanDerWaalsContact CA-O 3.23Å; R280-L339 WeakPolarHBondContact CA-O 3.38Å; R280-L339 WeakPolarHBondContact CG-O 3.31Å; R280-T340 PolarHBondContact NH1-OG1 2.71Å; R280-Y382 HydrophobicContact CB-CD2 3.88Å; R280-Y382 HydrophobicContact CB-CG 4.13Å; R280-Y382 HydrophobicContact CG-CD2 3.77Å; R280-Y382 HydrophobicContact CG-CE2 4.19Å; R280-Y382 HydrophobicContact CG-CG 4.42Å; R280-Y382 PolarHBondContact O-N 2.87Å |
| 281 | Y | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.8 | 159.6 | 71.2 | -100.8 | 0 | 0 | 0 | 110.6 | A330 A331 G338 L339 F341 F379 R380 F381 I478 | Y281-A330 HydrophobicContact CD1-CB 3.91Å; Y281-A330 HydrophobicContact CD2-CB 3.94Å; Y281-A330 HydrophobicContact CE1-CB 3.98Å; Y281-A330 HydrophobicContact CE2-CB 4.05Å; Y281-A330 HydrophobicContact CG-CB 3.9Å; Y281-A331 VanDerWaalsContact CE2-O 3.29Å; Y281-A331 WeakPolarHBondContact CE2-O 3.27Å; Y281-A331 PolarHBondContact OH-N 2.91Å; Y281-A331 PolarHBondContact OH-O 2.99Å; Y281-G338 CarbonylContact O-C 3.58Å; Y281-G338 VanDerWaalsContact O-CA 3.26Å; Y281-G338 WeakPolarHBondContact O-CA 3.37Å; Y281-L339 HydrophobicContact CD1-CB 4.09Å; Y281-L339 HydrophobicContact CE1-CB 3.41Å; Y281-L339 VanDerWaalsContact CE1-CB 3.41Å; Y281-L339 HydrophobicContact CE1-CD2 3.94Å; Y281-L339 HydrophobicContact CE1-CG 4.31Å; Y281-L339 HydrophobicContact CE2-CB 4.24Å; Y281-L339 VanDerWaalsContact CZ-CB 3.47Å; Y281-L339 PolarHBondContact N-O 3.44Å; Y281-L339 PolarHBondContact O-N 2.8Å; Y281-F341 HydrophobicContact CD1-CE1 4.13Å; Y281-F341 HydrophobicContact CE1-CE1 4.3Å; Y281-F379 AromaticContact CD2-CD1 3.84Å; Y281-F379 HydrophobicContact CD2-CD1 3.84Å; Y281-F379 AromaticContact CD2-CE1 4Å; Y281-F379 HydrophobicContact CD2-CE1 4Å; Y281-F379 HydrophobicContact CE2-CD1 4.4Å; Y281-F379 HydrophobicContact CE2-CE1 4.09Å; Y281-R380 CarbonylContact C-O 3.46Å; Y281-R380 WeakPolarHBondContact CA-O 3.25Å; Y281-F381 HydrophobicContact CG-CE1 4.3Å; Y281-I478 HydrophobicContact CE1-CD1 4.44Å; Y281-I478 WeakPolarHBondContact OH-CB 3.35Å; Y281-I478 WeakPolarHBondContact OH-CD1 3Å |
| 282 | E | 93.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 41 Ų | 41 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 170.3 | 171.9 | 67.3 | -165.3 | -165.8 | 0 | 0 | 110.8 | R280 F379 R380 Y382 | R280-E282 IonicContact CZ-OE2 3.66Å; R280-E282 IonicContact NE-OE2 2.79Å; R280-E282 PolarHBondContact NE-OE2 2.9Å; R280-E282 IonicContact NH2-OE2 3.66Å; R280-E282 PolarHBondContact NH2-OE2 3.16Å; E282-F379 CarbonylContact O-C 3.49Å; E282-F379 WeakPolarHBondContact O-CA 3.23Å; E282-R380 HydrophobicContact CG-CB 4.13Å; E282-R380 PolarHBondContact N-O 2.81Å; E282-R380 PolarHBondContact O-N 2.79Å; E282-R380 IonicContact OE1-CZ 2.86Å; E282-R380 IonicContact OE1-NE 2.62Å; E282-R380 IonicContact OE1-NH1 3.64Å; E282-R380 PolarHBondContact OE1-NH1 2.87Å; E282-R380 IonicContact OE1-NH2 3.21Å; E282-R380 PolarHBondContact OE1-NH2 2.72Å; E282-Y382 VanDerWaalsContact CD-OH 3.28Å; E282-Y382 HydrophobicContact CG-CE2 3.98Å; E282-Y382 PolarHBondContact OE1-OH 3.42Å |
| 283 | N | 93.1 | Very high | 92 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 148.8 | 174.7 | 66.6 | -66.6 | 0 | 0 | 0 | 111.8 | I285 M296 W332 R380 | N283-I285 HydrophobicContact CB-CD1 4.03Å; N283-I285 HydrophobicContact CB-CG1 4.1Å; N283-M296 HydrophobicContact CB-CE 4.02Å; N283-W332 HydrophobicContact CB-CD2 3.95Å; N283-W332 HydrophobicContact CB-CG 3.85Å; N283-W332 PolarHBondContact OD1-NE1 3.22Å; N283-R380 PolarHBondContact O-NH2 2.78Å |
| 284 | D | 94.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 37 Ų | 37 | 23% | 0.225 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 76 | 169.9 | -161.6 | 5.6 | 0 | 0 | 0 | 107.5 | S247 H249 S377 G378 R380 | S247-D284 PolarHBondContact OG-OD2 2.85Å; H249-D284 IonicContact CE1-OD2 2.81Å; H249-D284 PolarHBondContact CE1-OD2 3.25Å; H249-D284 WeakPolarHBondContact NE2-CB 3.49Å; H249-D284 IonicContact NE2-OD2 3.95Å; H249-D284 PolarHBondContact NE2-OD2 3.35Å; D284-S377 WeakPolarHBondContact O-CA 3.35Å; D284-G378 PolarHBondContact N-O 3.03Å; D284-G378 PolarHBondContact O-N 3.46Å; D284-R380 HydrophobicContact CB-CB 4.46Å; D284-R380 HydrophobicContact CB-CG 3.88Å; D284-R380 IonicContact OD1-NE 3.39Å; D284-R380 VanDerWaalsContact OD2-CD 3.31Å; D284-R380 WeakPolarHBondContact OD2-CD 3.34Å; D284-R380 VanDerWaalsContact OD2-CG 3.27Å; D284-R380 WeakPolarHBondContact OD2-CG 3.48Å; D284-R380 IonicContact OD2-NE 2.79Å; D284-R380 PolarHBondContact OD2-NE 2.92Å |
| 285 | I | 93.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | trans | -98.4 | 127.6 | -174.5 | -65.7 | 169.7 | 0 | 0 | 0 | 109.2 | N283 Q290 I293 M296 W332 | N283-I285 HydrophobicContact CB-CD1 4.03Å; N283-I285 HydrophobicContact CB-CG1 4.1Å; I285-Q290 HydrophobicContact CG2-CG 3.88Å; I285-I293 HydrophobicContact CD1-CB 4.49Å; I285-I293 HydrophobicContact CD1-CG2 4.4Å; I285-I293 HydrophobicContact CG1-CD1 4.23Å; I285-I293 HydrophobicContact CG2-CD1 4.12Å; I285-M296 HydrophobicContact CD1-CE 3.89Å; I285-M296 HydrophobicContact CG1-CE 3.76Å; I285-M296 HydrophobicContact CG1-SD 4.41Å; I285-W332 HydrophobicContact CD1-CD2 4.34Å; I285-W332 HydrophobicContact CD1-CE3 4.03Å; I285-W332 HydrophobicContact CD1-CH2 3.39Å; I285-W332 HydrophobicContact CD1-CZ2 3.71Å; I285-W332 HydrophobicContact CD1-CZ3 3.57Å | ||
| 286 | Q | 91.5 | Very high | 92 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 30% | 0.304 | 13% | 0.131 | S | C | . | . | trans | -64.9 | 140 | 175 | -58.8 | -160.6 | -50.6 | 0 | 0 | 110.4 | R288 S289 Q290 N376 S377 | Q286-R288 HydrophobicContact CB-CG 4.16Å; Q286-R288 PolarHBondContact O-N 3.27Å; Q286-R288 VanDerWaalsContact O-N 3.12Å; Q286-S289 WeakPolarHBondContact O-CA 3.02Å; Q286-S289 WeakPolarHBondContact O-CB 3.16Å; Q286-S289 PolarHBondContact O-N 3.41Å; Q286-Q290 PolarHBondContact O-N 3.23Å; Q286-Q290 VanDerWaalsContact O-N 3.17Å; Q286-N376 HydrophobicContact CG-CB 4.48Å; Q286-N376 PolarHBondContact NE2-ND2 2.79Å; Q286-N376 PolarHBondContact OE1-ND2 3.14Å; Q286-S377 PolarHBondContact N-OG 2.68Å; Q286-S377 VanDerWaalsContact N-OG 3.08Å | ||
| 287 | E | 87.3 | Confident | 92 | Very high | 155 Ų | 155 | 27.6 Ų | 27.6 | 72% | 0.724 | 13% | 0.129 | S | C | * | . | G | 310 helix | trans | -49 | -43.4 | 178.9 | -172.4 | 176.9 | -174.4 | 0 | 0 | 112.7 | S289 Q290 | E287-S289 PolarHBondContact O-N 3.02Å; E287-Q290 WeakPolarHBondContact O-CB 3.47Å; E287-Q290 PolarHBondContact O-N 2.56Å |
| 288 | R | 88.4 | Confident | 91.9 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 36% | 0.362 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -65.1 | -20.5 | 178.5 | 68.8 | -178 | 177.8 | 157.4 | 10.3 | 115.3 | Q286 I374 N376 | Q286-R288 HydrophobicContact CB-CG 4.16Å; Q286-R288 PolarHBondContact O-N 3.27Å; Q286-R288 VanDerWaalsContact O-N 3.12Å; R288-I374 PolarHBondContact NE-O 3.14Å; R288-I374 PolarHBondContact NH1-O 3.02Å; R288-I374 VanDerWaalsContact NH2-C 3.25Å; R288-I374 PolarHBondContact NH2-O 2.87Å; R288-N376 PolarHBondContact NH2-ND2 2.75Å |
| 289 | S | 91.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -102.4 | -5.7 | -178.1 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | Q286 E287 F292 I293 D375 | Q286-S289 WeakPolarHBondContact O-CA 3.02Å; Q286-S289 WeakPolarHBondContact O-CB 3.16Å; Q286-S289 PolarHBondContact O-N 3.41Å; E287-S289 PolarHBondContact O-N 3.02Å; S289-F292 PolarHBondContact O-N 3.36Å; S289-F292 VanDerWaalsContact O-N 3.13Å; S289-I293 PolarHBondContact O-N 2.7Å; S289-D375 WeakPolarHBondContact CB-OD1 3.38Å; S289-D375 PolarHBondContact OG-OD1 3.13Å |
| 290 | Q | 87.9 | Confident | 91.5 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 141.2 | 174.2 | -68.1 | -179.7 | 2.3 | 0 | 0 | 109.9 | L30 L31 N32 I285 Q286 E287 F292 | L30-Q290 HydrophobicContact CB-CB 4.24Å; L30-Q290 HydrophobicContact CB-CG 4.15Å; L30-Q290 HydrophobicContact CD1-CG 4.46Å; L31-Q290 WeakPolarHBondContact O-CB 3.35Å; N32-Q290 WeakPolarHBondContact CA-O 3.49Å; N32-Q290 WeakPolarHBondContact CB-O 3.23Å; I285-Q290 HydrophobicContact CG2-CG 3.88Å; Q286-Q290 PolarHBondContact O-N 3.23Å; Q286-Q290 VanDerWaalsContact O-N 3.17Å; E287-Q290 WeakPolarHBondContact O-CB 3.47Å; E287-Q290 PolarHBondContact O-N 2.56Å; Q290-F292 PolarHBondContact O-N 2.91Å; Q290-F292 VanDerWaalsContact O-N 3.1Å |
| 291 | G | 84.3 | Confident | 91.3 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | -12.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | L30 | L30-G291 PolarHBondContact O-N 3.18Š|
| 292 | F | 89.7 | Confident | 90.8 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -28 | 169.8 | -66.4 | -74.2 | 0 | 0 | 0 | 112.3 | N32 S289 Q290 Y364 Y365 N366 I370 I373 | N32-F292 HydrophobicContact CB-CD2 4.38Å; N32-F292 HydrophobicContact CB-CE2 4.02Å; N32-F292 HydrophobicContact CB-CZ 4.34Å; S289-F292 PolarHBondContact O-N 3.36Å; S289-F292 VanDerWaalsContact O-N 3.13Å; Q290-F292 PolarHBondContact O-N 2.91Å; Q290-F292 VanDerWaalsContact O-N 3.1Å; F292-Y364 CarbonylContact O-C 3.53Å; F292-Y364 WeakPolarHBondContact O-CA 3.17Å; F292-Y365 PolarHBondContact O-N 2.77Å; F292-N366 HydrophobicContact CD1-CB 4.25Å; F292-I370 HydrophobicContact CE1-CD1 4.14Å; F292-I370 HydrophobicContact CZ-CD1 3.94Å; F292-I373 HydrophobicContact CD1-CD1 3.83Å; F292-I373 HydrophobicContact CD2-CD1 4.13Å; F292-I373 HydrophobicContact CE1-CD1 3.4Å; F292-I373 HydrophobicContact CE2-CD1 3.73Å; F292-I373 HydrophobicContact CE2-CG1 4.45Å; F292-I373 HydrophobicContact CG-CD1 4.18Å; F292-I373 HydrophobicContact CZ-CD1 3.35Å; F292-I373 HydrophobicContact CZ-CG1 4.37Å |
| 293 | I | 91.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.7 | 177.3 | -62.2 | 176.4 | 0 | 0 | 0 | 108.8 | I285 S289 M296 W332 I362 Y364 S377 | I285-I293 HydrophobicContact CD1-CB 4.49Å; I285-I293 HydrophobicContact CD1-CG2 4.4Å; I285-I293 HydrophobicContact CG1-CD1 4.23Å; I285-I293 HydrophobicContact CG2-CD1 4.12Å; S289-I293 PolarHBondContact O-N 2.7Å; I293-M296 HydrophobicContact CD1-SD 4.19Å; I293-M296 HydrophobicContact CG2-CG 3.43Å; I293-M296 VanDerWaalsContact CG2-CG 3.43Å; I293-M296 HydrophobicContact CG2-SD 3.87Å; I293-W332 HydrophobicContact CG2-CE3 4.47Å; I293-W332 HydrophobicContact CG2-CZ3 3.97Å; I293-I362 HydrophobicContact CD1-CG2 4.26Å; I293-I362 HydrophobicContact CG1-CG2 4Å; I293-I362 HydrophobicContact CG2-CG2 3.97Å; I293-Y364 HydrophobicContact CD1-CE1 4.18Å; I293-Y364 HydrophobicContact CG1-CD1 3.87Å; I293-Y364 HydrophobicContact CG1-CE1 3.67Å; I293-S377 WeakPolarHBondContact CD1-OG 3.15Å |
| 294 | H | 87.7 | Confident | 89.3 | Confident | 25 Ų | 25 | 37.5 Ų | 37.5 | 12% | 0.116 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -43 | -179.9 | -163.7 | -124.8 | 0 | 0 | 0 | 111.6 | M334 H363 H474 | H294-M334 PolarHBondContact O-N 2.83Å; H294-H363 PolarHBondContact N-O 3.09Å; H294-H363 AromaticContact ND1-CE1 3.61Å; H294-H363 AromaticContact ND1-ND1 3.58Å; H294-H474 PolarHBondContact CE1-O 2.97Å; H294-H474 PolarHBondContact ND1-O 3.26Å |
| 295 | H | 91 | Very high | 88.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.7 | 168.2 | 64.7 | -107.6 | 0 | 0 | 0 | 111.5 | Y262 W332 A333 H363 H474 | Y262-H295 AromaticContact CE1-CE1 3.89Å; Y262-H295 AromaticContact CE1-NE2 3.86Å; H295-W332 CarbonylContact C-O 3.47Å; H295-W332 WeakPolarHBondContact CA-O 3.38Å; H295-W332 VanDerWaalsContact CB-O 3.22Å; H295-W332 WeakPolarHBondContact CB-O 3.28Å; H295-A333 HydrophobicContact CB-CB 3.96Å; H295-H363 VanDerWaalsContact CE1-CB 3.43Å; H295-H363 WeakPolarHBondContact CE1-CB 3.37Å; H295-H363 AromaticContact CE1-CG 3.57Å; H295-H363 AromaticContact CE1-ND1 3.14Å; H295-H363 PolarHBondContact CE1-ND1 2.97Å; H295-H363 AromaticContact ND1-CG 3.88Å; H295-H363 AromaticContact ND1-ND1 3.24Å; H295-H363 PolarHBondContact ND1-ND1 2.88Å; H295-H363 VanDerWaalsContact NE2-CB 3.35Å; H295-H363 WeakPolarHBondContact NE2-CB 3.26Å; H295-H363 AromaticContact NE2-CG 3.98Å; H295-H363 AromaticContact NE2-ND1 3.99Å; H295-H363 PolarHBondContact O-N 3.22Å; H295-H474 PolarHBondContact ND1-O 2.82Å |
| 296 | M | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 147 | 176.1 | -57.9 | -178.3 | -66.3 | 0 | 0 | 110.2 | N283 I285 I293 A331 W332 E361 I362 G378 F379 | N283-M296 HydrophobicContact CB-CE 4.02Å; I285-M296 HydrophobicContact CD1-CE 3.89Å; I285-M296 HydrophobicContact CG1-CE 3.76Å; I285-M296 HydrophobicContact CG1-SD 4.41Å; I293-M296 HydrophobicContact CD1-SD 4.19Å; I293-M296 HydrophobicContact CG2-CG 3.43Å; I293-M296 VanDerWaalsContact CG2-CG 3.43Å; I293-M296 HydrophobicContact CG2-SD 3.87Å; M296-A331 CarbonylContact O-C 3.59Å; M296-A331 VanDerWaalsContact O-CA 3.3Å; M296-A331 WeakPolarHBondContact O-CA 3.27Å; M296-W332 HydrophobicContact CE-CB 4.45Å; M296-W332 HydrophobicContact CE-CD2 4.21Å; M296-W332 HydrophobicContact CE-CE3 3.92Å; M296-W332 HydrophobicContact CE-CG 4.45Å; M296-W332 PolarHBondContact N-O 2.92Å; M296-W332 PolarHBondContact O-N 2.89Å; M296-E361 CarbonylContact C-O 3.21Å; M296-E361 VanDerWaalsContact CA-O 3.24Å; M296-E361 WeakPolarHBondContact CA-O 3.29Å; M296-I362 HydrophobicContact CB-CG1 4.48Å; M296-I362 HydrophobicContact CG-CB 4.36Å; M296-I362 HydrophobicContact CG-CD1 4.41Å; M296-I362 HydrophobicContact CG-CG1 3.95Å; M296-I362 HydrophobicContact CG-CG2 4.05Å; M296-I362 HydrophobicContact SD-CD1 4.08Å; M296-I362 HydrophobicContact SD-CG1 4.26Å; M296-G378 VanDerWaalsContact CE-O 3.24Å; M296-G378 WeakPolarHBondContact CE-O 3.24Å; M296-F379 HydrophobicContact CB-CE2 3.59Å; M296-F379 HydrophobicContact CB-CZ 3.71Å; M296-F379 HydrophobicContact CE-CE2 4.43Å; M296-F379 HydrophobicContact CE-CZ 4.44Å; M296-F379 WeakPolarHBondContact O-CZ 3.22Å |
| 297 | E | 94.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.8 | 177 | -58.2 | -165.8 | 160.4 | 0 | 0 | 111.4 | F299 A330 A331 I360 E361 Q441 Q476 | E297-F299 HydrophobicContact CB-CE2 3.87Å; E297-F299 HydrophobicContact CB-CZ 4Å; E297-F299 WeakPolarHBondContact OE2-CZ 3.49Å; E297-A330 CarbonylContact C-O 3.59Å; E297-A330 WeakPolarHBondContact CA-O 3.46Å; E297-A331 HydrophobicContact CG-CB 3.94Å; E297-I360 CarbonylContact O-C 3.56Å; E297-I360 VanDerWaalsContact O-CA 3.32Å; E297-I360 WeakPolarHBondContact O-CA 3.37Å; E297-E361 PolarHBondContact N-O 2.88Å; E297-E361 PolarHBondContact O-N 2.87Å; E297-Q441 PolarHBondContact OE1-NE2 3.03Å; E297-Q476 PolarHBondContact OE1-OE1 3.34Å |
| 298 | V | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 115.1 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L248 I267 I329 A330 A358 V359 I360 F379 F381 | L248-V298 HydrophobicContact CD2-CG2 4.19Å; I267-V298 HydrophobicContact CD1-CG1 4.12Å; V298-I329 HydrophobicContact CB-CD1 4.48Å; V298-I329 HydrophobicContact CB-CG1 3.92Å; V298-I329 HydrophobicContact CG1-CD1 3.76Å; V298-I329 HydrophobicContact CG1-CG1 3.69Å; V298-I329 WeakPolarHBondContact O-CG1 3.43Å; V298-I329 PolarHBondContact O-N 2.6Å; V298-A330 HydrophobicContact CB-CB 4.31Å; V298-A330 HydrophobicContact CG2-CB 4.35Å; V298-A330 PolarHBondContact N-O 3.48Å; V298-A358 HydrophobicContact CG1-CB 3.68Å; V298-V359 WeakPolarHBondContact CA-O 3.4Å; V298-I360 HydrophobicContact CG2-CB 4.47Å; V298-I360 HydrophobicContact CG2-CG1 4.32Å; V298-F379 HydrophobicContact CG2-CD2 3.48Å; V298-F379 VanDerWaalsContact CG2-CD2 3.48Å; V298-F379 HydrophobicContact CG2-CE2 3.59Å; V298-F379 HydrophobicContact CG2-CG 4.34Å; V298-F381 HydrophobicContact CG2-CZ 4.48Å |
| 299 | F | 92.3 | Very high | 88.6 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 12% | 0.118 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.6 | 177.7 | -57 | -85.2 | 0 | 0 | 0 | 110.3 | E297 C325 E327 V328 A358 V359 E361 | E297-F299 HydrophobicContact CB-CE2 3.87Å; E297-F299 HydrophobicContact CB-CZ 4Å; E297-F299 WeakPolarHBondContact OE2-CZ 3.49Å; F299-C325 HydrophobicContact CB-CB 4.09Å; F299-C325 WeakPolarHBondContact CB-O 3.49Å; F299-E327 CarbonylContact C-O 3.53Å; F299-E327 WeakPolarHBondContact CA-O 3.37Å; F299-V328 HydrophobicContact CD1-CG2 3.77Å; F299-V328 HydrophobicContact CE1-CG2 3.58Å; F299-A358 CarbonylContact O-C 3.39Å; F299-A358 WeakPolarHBondContact O-CA 3.3Å; F299-A358 WeakPolarHBondContact O-CB 3.36Å; F299-V359 PolarHBondContact N-O 3.23Å; F299-V359 PolarHBondContact O-N 2.82Å; F299-E361 HydrophobicContact CD2-CB 4.39Å; F299-E361 HydrophobicContact CE2-CB 3.74Å |
| 300 | R | 91.3 | Very high | 88.8 | Confident | 44 Ų | 44 | 43.7 Ų | 43.7 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 139.3 | 171.6 | 178.5 | 163.8 | 167.3 | -128.5 | 15.7 | 110 | L269 C325 E327 I329 Y347 E356 | L269-R300 HydrophobicContact CD1-CG 4.27Å; R300-C325 WeakPolarHBondContact O-CA 3.45Å; R300-E327 HydrophobicContact CB-CB 4.28Å; R300-E327 VanDerWaalsContact CD-OE2 3.31Å; R300-E327 WeakPolarHBondContact CD-OE2 3.37Å; R300-E327 IonicContact CZ-OE2 3.93Å; R300-E327 PolarHBondContact N-O 2.84Å; R300-E327 IonicContact NE-OE2 3.56Å; R300-E327 IonicContact NH1-OE1 3.36Å; R300-E327 IonicContact NH1-OE2 2.91Å; R300-E327 PolarHBondContact NH1-OE2 3.48Å; R300-I329 HydrophobicContact CB-CG2 3.7Å; R300-Y347 PolarHBondContact NH1-OH 2.91Å; R300-E356 IonicContact CZ-OE1 3.68Å; R300-E356 IonicContact NE-OE1 2.94Å; R300-E356 PolarHBondContact NE-OE1 2.85Å; R300-E356 IonicContact NH2-OE1 2.55Å; R300-E356 PolarHBondContact NH2-OE1 2.65Å |
| 301 | C | 90.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -101.2 | 138.3 | -176.1 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | K306 C325 Y357 | C301-K306 HydrophobicContact CB-CD 4.28Å; C301-K306 HydrophobicContact CB-CG 3.92Å; C301-C325 VanDerWaalsContact CA-SG 3.57Å; C301-C325 HydrophobicContact CB-CB 4.03Å; C301-C325 WeakPolarHBondContact CB-SG 3.45Å; C301-C325 WeakPolarHBondContact SG-CB 3.42Å; C301-C325 CovalentContact SG-SG 2.04Å; C301-C325 PolarHBondContact SG-SG 3.22Å; C301-Y357 VanDerWaalsContact CB-O 3.26Å; C301-Y357 WeakPolarHBondContact CB-O 3.39Å; C301-Y357 PolarHBondContact N-O 3.23Å |
| 302 | P | 84.1 | Confident | 89.5 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -71.5 | 139.5 | 169.4 | 27.7 | -32 | 0 | 0 | 0 | 111.2 | K306 D324 | P302-K306 WeakPolarHBondContact O-CE 3.38Å; P302-K306 PolarHBondContact O-NZ 2.88Å; P302-D324 WeakPolarHBondContact CD-O 3.42Å; P302-D324 HydrophobicContact CG-CB 3.75Å |
| 303 | G | 81.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 44.2 Ų | 44.2 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 86.8 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 304 | H | 73.5 | Confident | 89.2 | Confident | 114 Ų | 114 | 50 Ų | 50 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -108.9 | 6.3 | -167.2 | -55.9 | -56.3 | 0 | 0 | 0 | 115.1 | S353 K355 Y357 | H304-S353 PolarHBondContact CE1-O 3.23Å; H304-S353 PolarHBondContact ND1-O 2.72Å; H304-S353 PolarHBondContact NE2-O 2.65Å; H304-K355 PolarHBondContact ND1-O 2.78Å; H304-Y357 VanDerWaalsContact O-CE2 3.29Å; H304-Y357 WeakPolarHBondContact O-CE2 3.29Å |
| 305 | N | 79.2 | Confident | 89.2 | Confident | 136 Ų | 136 | 50.7 Ų | 50.7 | 73% | 0.727 | 26% | 0.263 | S | S | * | . | trans | -146.2 | 112.4 | -179.9 | -163.3 | 0.7 | 0 | 0 | 0 | 109.1 | ||||
| 306 | K | 86 | Confident | 88.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | trans | -120.5 | 141.2 | 178.3 | -68.3 | -55.7 | -171.5 | -170.2 | 0 | 110.3 | T266 C301 P302 Y308 D321 L322 Y357 | T266-K306 HydrophobicContact CG2-CB 4.08Å; C301-K306 HydrophobicContact CB-CD 4.28Å; C301-K306 HydrophobicContact CB-CG 3.92Å; P302-K306 WeakPolarHBondContact O-CE 3.38Å; P302-K306 PolarHBondContact O-NZ 2.88Å; K306-Y308 PolarHBondContact O-N 2.9Å; K306-D321 WeakPolarHBondContact CD-OD2 3.49Å; K306-D321 PolarHBondContact NZ-O 2.69Å; K306-L322 HydrophobicContact CB-CD2 4.13Å; K306-L322 HydrophobicContact CD-CD2 4.22Å; K306-L322 HydrophobicContact CG-CD2 4.37Å; K306-Y357 HydrophobicContact CB-CD1 4.23Å; K306-Y357 HydrophobicContact CB-CD2 4.46Å; K306-Y357 HydrophobicContact CB-CG 3.95Å; K306-Y357 HydrophobicContact CG-CD2 4.45Å; K306-Y357 HydrophobicContact CG-CG 4.1Å | ||
| 307 | R | 88.9 | Confident | 88.6 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | trans | -65.3 | 136 | 175.2 | -74.2 | 179.7 | -77.9 | 179.5 | -0.1 | 109.6 | T266 Y309 P319 D321 | T266-R307 PolarHBondContact OG1-O 2.62Å; R307-Y309 PolarHBondContact O-N 2.88Å; R307-P319 HydrophobicContact CB-CB 4Å; R307-P319 HydrophobicContact CB-CG 3.84Å; R307-D321 IonicContact CZ-OD1 3.13Å; R307-D321 PolarHBondContact N-OD2 2.91Å; R307-D321 IonicContact NE-OD1 2.79Å; R307-D321 PolarHBondContact NE-OD1 2.79Å; R307-D321 IonicContact NE-OD2 3.92Å; R307-D321 IonicContact NH2-OD1 2.68Å; R307-D321 PolarHBondContact NH2-OD1 2.8Å | ||
| 308 | Y | 91.8 | Very high | 88.3 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 62% | 0.616 | 35% | 0.346 | S | S | * | . | trans | -60.8 | 136.3 | 171.8 | -179.4 | -93.1 | 0 | 0 | 0 | 109.5 | K265 K306 D310 | K265-Y308 PolarHBondContact NZ-OH 3.15Å; K306-Y308 PolarHBondContact O-N 2.9Å; Y308-D310 HydrophobicContact CE1-CB 3.77Å; Y308-D310 WeakPolarHBondContact OH-CB 3.43Å; Y308-D310 PolarHBondContact OH-OD2 2.95Å | ||
| 309 | Y | 94.3 | Very high | 88.1 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 4% | 0.043 | 35% | 0.351 | C | S | . | . | trans | -148.2 | 142.1 | 177.7 | -174.2 | -108.7 | 0 | 0 | 0 | 109.2 | C264 K265 T266 R307 A311 P312 S315 K318 P319 L322 | C264-Y309 HydrophobicContact CB-CD1 3.95Å; C264-Y309 HydrophobicContact CB-CE1 3.65Å; C264-Y309 WeakPolarHBondContact O-CD1 3.37Å; K265-Y309 CarbonylContact C-O 3.48Å; K265-Y309 VanDerWaalsContact CA-O 3.26Å; K265-Y309 WeakPolarHBondContact CA-O 3.45Å; T266-Y309 PolarHBondContact N-O 2.79Å; T266-Y309 WeakPolarHBondContact OG1-CB 3.14Å; T266-Y309 PolarHBondContact OG1-N 3.48Å; R307-Y309 PolarHBondContact O-N 2.88Å; Y309-A311 HydrophobicContact CE1-CB 4.23Å; Y309-A311 WeakPolarHBondContact CE1-O 3.45Å; Y309-A311 HydrophobicContact CE2-CB 3.81Å; Y309-P312 PolarHBondContact OH-O 3.05Å; Y309-S315 WeakPolarHBondContact OH-CB 3.33Å; Y309-K318 HydrophobicContact CD1-CG 4.41Å; Y309-K318 HydrophobicContact CE1-CB 4.28Å; Y309-K318 HydrophobicContact CE1-CD 4.3Å; Y309-K318 HydrophobicContact CE1-CG 4.03Å; Y309-K318 VanDerWaalsContact CE2-CA 3.45Å; Y309-K318 HydrophobicContact CE2-CB 4.01Å; Y309-K318 HydrophobicContact CE2-CG 4.41Å; Y309-P319 HydrophobicContact CD2-CG 4.32Å; Y309-L322 HydrophobicContact CD1-CD1 4.19Å; Y309-L322 HydrophobicContact CG-CD1 3.99Å | ||
| 310 | D | 94.8 | Very high | 87.9 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 79.6 | -178.4 | -165.5 | 3.2 | 0 | 0 | 0 | 108.8 | W263 C264 K265 Y308 | W263-D310 PolarHBondContact NE1-OD1 3.48Å; C264-D310 WeakPolarHBondContact O-CA 3.17Å; K265-D310 HydrophobicContact CG-CB 4.22Å; K265-D310 IonicContact NZ-OD1 2.68Å; K265-D310 IonicContact NZ-OD2 3.4Å; K265-D310 PolarHBondContact NZ-OD2 3.14Å; Y308-D310 HydrophobicContact CE1-CB 3.77Å; Y308-D310 WeakPolarHBondContact OH-CB 3.43Å; Y308-D310 PolarHBondContact OH-OD2 2.95Å |
| 311 | A | 94.3 | Very high | 87.7 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 173.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C264 Y309 C313 | C264-A311 PolarHBondContact N-O 2.85Å; C264-A311 PolarHBondContact O-N 3.21Å; C264-A311 VanDerWaalsContact O-N 3.08Å; C264-A311 VanDerWaalsContact O-O 3.09Å; Y309-A311 HydrophobicContact CE1-CB 4.23Å; Y309-A311 WeakPolarHBondContact CE1-O 3.45Å; Y309-A311 HydrophobicContact CE2-CB 3.81Å; A311-C313 PolarHBondContact O-N 2.84Å |
| 312 | P | 92.7 | Very high | 87.5 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 130.6 | 175.6 | -28.1 | 36.7 | 0 | 0 | 0 | 112.9 | Y262 W263 Y309 N314 S315 | Y262-P312 CarbonylContact O-C 3.35Å; Y262-P312 VanDerWaalsContact O-CA 3.25Å; Y262-P312 WeakPolarHBondContact O-CA 3.23Å; W263-P312 HydrophobicContact CE3-CG 4.15Å; W263-P312 HydrophobicContact CZ3-CG 4.02Å; Y309-P312 PolarHBondContact OH-O 3.05Å; P312-N314 PolarHBondContact O-N 3.12Å; P312-S315 VanDerWaalsContact O-CB 3.22Å; P312-S315 WeakPolarHBondContact O-CB 3.11Å; P312-S315 PolarHBondContact O-N 3Å |
| 313 | C | 90.2 | Very high | 87.4 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 14% | 0.135 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.4 | -172.8 | -64.7 | 0 | 0 | 0 | 0 | 114.8 | Y262 C264 A311 K318 | Y262-C313 PolarHBondContact O-N 3.44Å; C264-C313 VanDerWaalsContact CA-SG 3.55Å; C264-C313 HydrophobicContact CB-CB 3.95Å; C264-C313 WeakPolarHBondContact CB-SG 3.2Å; C264-C313 PolarHBondContact N-SG 2.86Å; C264-C313 WeakPolarHBondContact SG-CB 3.15Å; C264-C313 CovalentContact SG-SG 2.03Å; C264-C313 PolarHBondContact SG-SG 3.08Å; A311-C313 PolarHBondContact O-N 2.84Å; C313-K318 VanDerWaalsContact O-CD 3.26Å; C313-K318 WeakPolarHBondContact O-CD 3.48Å |
| 314 | N | 85.7 | Confident | 87.5 | Confident | 123 Ų | 123 | 75.6 Ų | 75.6 | 66% | 0.658 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 4.3 | -179.9 | 65 | -13.1 | 0 | 0 | 0 | 113.9 | P312 | P312-N314 PolarHBondContact O-N 3.12Š|
| 315 | S | 87.5 | Confident | 88.2 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -67.3 | 137.9 | 178.5 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | Y309 P312 T317 K318 | Y309-S315 WeakPolarHBondContact OH-CB 3.33Å; P312-S315 VanDerWaalsContact O-CB 3.22Å; P312-S315 WeakPolarHBondContact O-CB 3.11Å; P312-S315 PolarHBondContact O-N 3Å; S315-T317 PolarHBondContact O-N 3.47Å; S315-T317 PolarHBondContact OG-N 3.28Å; S315-T317 PolarHBondContact OG-OG1 3.22Å; S315-K318 WeakPolarHBondContact O-CB 3.12Å; S315-K318 PolarHBondContact O-N 3.17Å | ||
| 316 | E | 85 | Confident | 88.3 | Confident | 201 Ų | 201 | 67.7 Ų | 67.7 | 94% | 0.939 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -17.7 | 170.6 | -61.1 | -176.8 | 173.2 | 0 | 0 | 112.9 | K318 | E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.2Å |
| 317 | T | 88.2 | Confident | 88.3 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.9 | 176 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | S315 P319 | S315-T317 PolarHBondContact O-N 3.47Å; S315-T317 PolarHBondContact OG-N 3.28Å; S315-T317 PolarHBondContact OG-OG1 3.22Å; T317-P319 VanDerWaalsContact O-CD 3.29Å; T317-P319 WeakPolarHBondContact O-CD 3.46Å |
| 318 | K | 88.5 | Confident | 88.2 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -61.5 | 121.4 | 179.7 | -173 | 170.8 | 176.1 | 177.1 | 0 | 109.6 | Y309 C313 S315 E316 E320 L322 | Y309-K318 HydrophobicContact CD1-CG 4.41Å; Y309-K318 HydrophobicContact CE1-CB 4.28Å; Y309-K318 HydrophobicContact CE1-CD 4.3Å; Y309-K318 HydrophobicContact CE1-CG 4.03Å; Y309-K318 VanDerWaalsContact CE2-CA 3.45Å; Y309-K318 HydrophobicContact CE2-CB 4.01Å; Y309-K318 HydrophobicContact CE2-CG 4.41Å; C313-K318 VanDerWaalsContact O-CD 3.26Å; C313-K318 WeakPolarHBondContact O-CD 3.48Å; S315-K318 WeakPolarHBondContact O-CB 3.12Å; S315-K318 PolarHBondContact O-N 3.17Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.2Å; K318-E320 PolarHBondContact O-N 2.84Å; K318-L322 HydrophobicContact CG-CD1 4.5Å |
| 319 | P | 90.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | trans | -58.8 | 133.3 | 179.2 | -25.3 | 32.7 | 0 | 0 | 0 | 112.7 | R307 Y309 T317 D321 L322 | R307-P319 HydrophobicContact CB-CB 4Å; R307-P319 HydrophobicContact CB-CG 3.84Å; Y309-P319 HydrophobicContact CD2-CG 4.32Å; T317-P319 VanDerWaalsContact O-CD 3.29Å; T317-P319 WeakPolarHBondContact O-CD 3.46Å; P319-D321 WeakPolarHBondContact CB-OD1 3.28Å; P319-D321 PolarHBondContact O-N 3.37Å; P319-L322 HydrophobicContact CB-CD1 4.35Å; P319-L322 HydrophobicContact CB-CG 4.16Å; P319-L322 HydrophobicContact CG-CD1 4.13Å; P319-L322 HydrophobicContact CG-CG 4.46Å; P319-L322 WeakPolarHBondContact O-CB 3.37Å; P319-L322 PolarHBondContact O-N 2.93Å | ||
| 320 | E | 86.4 | Confident | 88.2 | Confident | 155 Ų | 155 | 53.5 Ų | 53.5 | 72% | 0.724 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -57 | -31.5 | -179.7 | -72.5 | -179 | 166.3 | 0 | 0 | 113.7 | K318 L322 I323 | K318-E320 PolarHBondContact O-N 2.84Å; E320-L322 PolarHBondContact O-N 2.83Å; E320-I323 HydrophobicContact CB-CD1 4.36Å; E320-I323 HydrophobicContact CG-CD1 4.47Å; E320-I323 VanDerWaalsContact O-CB 3.24Å; E320-I323 WeakPolarHBondContact O-CB 3.45Å; E320-I323 VanDerWaalsContact O-CG1 3.32Å; E320-I323 WeakPolarHBondContact O-CG1 3.24Å; E320-I323 PolarHBondContact O-N 2.86Å |
| 321 | D | 86.9 | Confident | 88.2 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -70.5 | -10.7 | 179.8 | 64 | -54.2 | 0 | 0 | 0 | 113.8 | K306 R307 P319 | K306-D321 WeakPolarHBondContact CD-OD2 3.49Å; K306-D321 PolarHBondContact NZ-O 2.69Å; R307-D321 IonicContact CZ-OD1 3.13Å; R307-D321 PolarHBondContact N-OD2 2.91Å; R307-D321 IonicContact NE-OD1 2.79Å; R307-D321 PolarHBondContact NE-OD1 2.79Å; R307-D321 IonicContact NE-OD2 3.92Å; R307-D321 IonicContact NH2-OD1 2.68Å; R307-D321 PolarHBondContact NH2-OD1 2.8Å; P319-D321 WeakPolarHBondContact CB-OD1 3.28Å; P319-D321 PolarHBondContact O-N 3.37Å |
| 322 | L | 88.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -85.4 | -12.6 | 172.1 | -59.5 | -175.4 | 0 | 0 | 0 | 112.6 | K306 Y309 K318 P319 E320 D324 C325 V359 | K306-L322 HydrophobicContact CB-CD2 4.13Å; K306-L322 HydrophobicContact CD-CD2 4.22Å; K306-L322 HydrophobicContact CG-CD2 4.37Å; Y309-L322 HydrophobicContact CD1-CD1 4.19Å; Y309-L322 HydrophobicContact CG-CD1 3.99Å; K318-L322 HydrophobicContact CG-CD1 4.5Å; P319-L322 HydrophobicContact CB-CD1 4.35Å; P319-L322 HydrophobicContact CB-CG 4.16Å; P319-L322 HydrophobicContact CG-CD1 4.13Å; P319-L322 HydrophobicContact CG-CG 4.46Å; P319-L322 WeakPolarHBondContact O-CB 3.37Å; P319-L322 PolarHBondContact O-N 2.93Å; E320-L322 PolarHBondContact O-N 2.83Å; L322-D324 PolarHBondContact O-N 2.99Å; L322-C325 PolarHBondContact O-N 2.9Å; L322-V359 HydrophobicContact CB-CG2 4.38Å; L322-V359 HydrophobicContact CD1-CG2 4.26Å; L322-V359 HydrophobicContact CD2-CG2 3.96Å; L322-V359 HydrophobicContact CG-CG2 4.43Å |
| 323 | I | 81.9 | Confident | 87.9 | Confident | 75 Ų | 75 | 49 Ų | 49 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.3 | 175.3 | -61.3 | 171.2 | 0 | 0 | 0 | 111.2 | E320 R326 I512 | E320-I323 HydrophobicContact CB-CD1 4.36Å; E320-I323 HydrophobicContact CG-CD1 4.47Å; E320-I323 VanDerWaalsContact O-CB 3.24Å; E320-I323 WeakPolarHBondContact O-CB 3.45Å; E320-I323 VanDerWaalsContact O-CG1 3.32Å; E320-I323 WeakPolarHBondContact O-CG1 3.24Å; E320-I323 PolarHBondContact O-N 2.86Å; I323-R326 PolarHBondContact O-NE 2.81Å; I323-R326 PolarHBondContact O-NH2 3.46Å; I323-I512 HydrophobicContact CG2-CD1 4.22Å; I323-I512 HydrophobicContact CG2-CG2 4.22Å |
| 324 | D | 82.8 | Confident | 87.7 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | 178.6 | -61.1 | -30.4 | 0 | 0 | 0 | 113.3 | P302 L322 R326 | P302-D324 WeakPolarHBondContact CD-O 3.42Å; P302-D324 HydrophobicContact CG-CB 3.75Å; L322-D324 PolarHBondContact O-N 2.99Å; D324-R326 PolarHBondContact O-N 3.1Å; D324-R326 VanDerWaalsContact O-N 3.14Å; D324-R326 IonicContact OD1-NH2 3.83Å |
| 325 | C | 88.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | trans | -78.4 | 97.4 | 174.5 | -50.7 | 0 | 0 | 0 | 0 | 108.9 | F299 R300 C301 L322 V359 | F299-C325 HydrophobicContact CB-CB 4.09Å; F299-C325 WeakPolarHBondContact CB-O 3.49Å; R300-C325 WeakPolarHBondContact O-CA 3.45Å; C301-C325 VanDerWaalsContact CA-SG 3.57Å; C301-C325 HydrophobicContact CB-CB 4.03Å; C301-C325 WeakPolarHBondContact CB-SG 3.45Å; C301-C325 WeakPolarHBondContact SG-CB 3.42Å; C301-C325 CovalentContact SG-SG 2.04Å; C301-C325 PolarHBondContact SG-SG 3.22Å; L322-C325 PolarHBondContact O-N 2.9Å; C325-V359 HydrophobicContact CB-CG2 4.18Å | ||
| 326 | R | 80.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 42 Ų | 42 | 28% | 0.279 | 21% | 0.211 | S | C | . | . | trans | -129.9 | -21.8 | -171.7 | -60.6 | -177.7 | -169.3 | 161.4 | 7.3 | 114.6 | I323 D324 V328 | I323-R326 PolarHBondContact O-NE 2.81Å; I323-R326 PolarHBondContact O-NH2 3.46Å; D324-R326 PolarHBondContact O-N 3.1Å; D324-R326 VanDerWaalsContact O-N 3.14Å; D324-R326 IonicContact OD1-NH2 3.83Å; R326-V328 PolarHBondContact O-N 2.98Å | ||
| 327 | E | 85.8 | Confident | 87.3 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 105.3 | 178.9 | -179.4 | -178.4 | -143.9 | 0 | 0 | 109.4 | F299 R300 I329 Y347 I394 | F299-E327 CarbonylContact C-O 3.53Å; F299-E327 WeakPolarHBondContact CA-O 3.37Å; R300-E327 HydrophobicContact CB-CB 4.28Å; R300-E327 VanDerWaalsContact CD-OE2 3.31Å; R300-E327 WeakPolarHBondContact CD-OE2 3.37Å; R300-E327 IonicContact CZ-OE2 3.93Å; R300-E327 PolarHBondContact N-O 2.84Å; R300-E327 IonicContact NE-OE2 3.56Å; R300-E327 IonicContact NH1-OE1 3.36Å; R300-E327 IonicContact NH1-OE2 2.91Å; R300-E327 PolarHBondContact NH1-OE2 3.48Å; E327-I329 HydrophobicContact CG-CG2 4.16Å; E327-I329 PolarHBondContact O-N 3.1Å; E327-Y347 PolarHBondContact OE1-OH 2.79Å; E327-Y347 VanDerWaalsContact OE1-OH 3.06Å; E327-Y347 PolarHBondContact OE2-OH 3.08Å; E327-I394 HydrophobicContact CG-CD1 3.74Å |
| 328 | V | 88.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 104.6 | 179.8 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | F299 R326 A331 I394 I478 Y522 F524 | F299-V328 HydrophobicContact CD1-CG2 3.77Å; F299-V328 HydrophobicContact CE1-CG2 3.58Å; R326-V328 PolarHBondContact O-N 2.98Å; V328-A331 HydrophobicContact CG1-CB 4.12Å; V328-I394 VanDerWaalsContact O-CD1 3.27Å; V328-I394 WeakPolarHBondContact O-CD1 3.36Å; V328-I478 HydrophobicContact CG1-CD1 4.35Å; V328-Y522 HydrophobicContact CG2-CE1 4.21Å; V328-Y522 HydrophobicContact CG2-CE2 4.27Å; V328-F524 WeakPolarHBondContact O-CZ 3.24Å |
| 329 | I | 92.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -19.4 | -179 | 65.1 | 170.3 | 0 | 0 | 0 | 113.1 | L269 V298 R300 E327 Y347 I394 | L269-I329 HydrophobicContact CD1-CD1 4.21Å; L269-I329 HydrophobicContact CD2-CD1 3.96Å; V298-I329 HydrophobicContact CB-CD1 4.48Å; V298-I329 HydrophobicContact CB-CG1 3.92Å; V298-I329 HydrophobicContact CG1-CD1 3.76Å; V298-I329 HydrophobicContact CG1-CG1 3.69Å; V298-I329 WeakPolarHBondContact O-CG1 3.43Å; V298-I329 PolarHBondContact O-N 2.6Å; R300-I329 HydrophobicContact CB-CG2 3.7Å; E327-I329 HydrophobicContact CG-CG2 4.16Å; E327-I329 PolarHBondContact O-N 3.1Å; I329-Y347 HydrophobicContact CB-CE1 4.36Å; I329-Y347 HydrophobicContact CG2-CE1 3.85Å; I329-Y347 HydrophobicContact CG2-CE2 4.21Å; I329-Y347 VanDerWaalsContact CG2-CZ 3.49Å; I329-Y347 WeakPolarHBondContact CG2-OH 3.47Å; I329-I394 HydrophobicContact CG2-CD1 4.34Å |
| 330 | A | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 142.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y281 E297 V298 F379 F381 | Y281-A330 HydrophobicContact CD1-CB 3.91Å; Y281-A330 HydrophobicContact CD2-CB 3.94Å; Y281-A330 HydrophobicContact CE1-CB 3.98Å; Y281-A330 HydrophobicContact CE2-CB 4.05Å; Y281-A330 HydrophobicContact CG-CB 3.9Å; E297-A330 CarbonylContact C-O 3.59Å; E297-A330 WeakPolarHBondContact CA-O 3.46Å; V298-A330 HydrophobicContact CB-CB 4.31Å; V298-A330 HydrophobicContact CG2-CB 4.35Å; V298-A330 PolarHBondContact N-O 3.48Å; A330-F379 HydrophobicContact CB-CD1 4.05Å; A330-F379 HydrophobicContact CB-CE1 3.95Å; A330-F379 HydrophobicContact CB-CG 4.45Å; A330-F379 HydrophobicContact CB-CZ 4.28Å; A330-F381 HydrophobicContact CB-CE1 3.79Å; A330-F381 HydrophobicContact CB-CZ 3.74Å |
| 331 | A | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 145.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y281 M296 E297 V328 I478 | Y281-A331 VanDerWaalsContact CE2-O 3.29Å; Y281-A331 WeakPolarHBondContact CE2-O 3.27Å; Y281-A331 PolarHBondContact OH-N 2.91Å; Y281-A331 PolarHBondContact OH-O 2.99Å; M296-A331 CarbonylContact O-C 3.59Å; M296-A331 VanDerWaalsContact O-CA 3.3Å; M296-A331 WeakPolarHBondContact O-CA 3.27Å; E297-A331 HydrophobicContact CG-CB 3.94Å; V328-A331 HydrophobicContact CG1-CB 4.12Å; A331-I478 HydrophobicContact CB-CD1 3.67Å; A331-I478 HydrophobicContact CB-CG1 3.82Å |
| 332 | W | 92.9 | Very high | 88.4 | Confident | 9 Ų | 9 | 19.4 Ų | 19.4 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 138.8 | 179.9 | 176.2 | 91.2 | 0 | 0 | 0 | 109.5 | N283 I285 I293 H295 M296 M334 S336 F379 | N283-W332 HydrophobicContact CB-CD2 3.95Å; N283-W332 HydrophobicContact CB-CG 3.85Å; N283-W332 PolarHBondContact OD1-NE1 3.22Å; I285-W332 HydrophobicContact CD1-CD2 4.34Å; I285-W332 HydrophobicContact CD1-CE3 4.03Å; I285-W332 HydrophobicContact CD1-CH2 3.39Å; I285-W332 HydrophobicContact CD1-CZ2 3.71Å; I285-W332 HydrophobicContact CD1-CZ3 3.57Å; I293-W332 HydrophobicContact CG2-CE3 4.47Å; I293-W332 HydrophobicContact CG2-CZ3 3.97Å; H295-W332 CarbonylContact C-O 3.47Å; H295-W332 WeakPolarHBondContact CA-O 3.38Å; H295-W332 VanDerWaalsContact CB-O 3.22Å; H295-W332 WeakPolarHBondContact CB-O 3.28Å; M296-W332 HydrophobicContact CE-CB 4.45Å; M296-W332 HydrophobicContact CE-CD2 4.21Å; M296-W332 HydrophobicContact CE-CE3 3.92Å; M296-W332 HydrophobicContact CE-CG 4.45Å; M296-W332 PolarHBondContact N-O 2.92Å; M296-W332 PolarHBondContact O-N 2.89Å; W332-M334 HydrophobicContact CH2-CG 4.3Å; W332-S336 PolarHBondContact NE1-O 3.32Å; W332-F379 HydrophobicContact CB-CE1 3.65Å; W332-F379 HydrophobicContact CB-CZ 3.9Å |
| 333 | A | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 170.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | H295 G335 S336 F475 E477 | H295-A333 HydrophobicContact CB-CB 3.96Å; A333-G335 PolarHBondContact O-N 3.49Å; A333-S336 WeakPolarHBondContact O-CB 3.17Å; A333-S336 PolarHBondContact O-N 3.34Å; A333-F475 HydrophobicContact CB-CD2 3.53Å; A333-F475 HydrophobicContact CB-CE2 3.43Å; A333-F475 VanDerWaalsContact CB-CE2 3.43Å; A333-F475 HydrophobicContact CB-CG 4.4Å; A333-F475 HydrophobicContact CB-CZ 4.24Å; A333-E477 HydrophobicContact CB-CB 4.02Å |
| 334 | M | 85.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.059 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 132.3 | -177.7 | -64.1 | -171.5 | 81.7 | 0 | 0 | 112.9 | L29 L31 L226 H294 W332 S336 F475 | L29-M334 HydrophobicContact CD1-CB 4.26Å; L29-M334 HydrophobicContact CD1-CE 4Å; L31-M334 HydrophobicContact CD2-CE 3.76Å; L226-M334 HydrophobicContact CD2-CB 4.2Å; L226-M334 VanDerWaalsContact CD2-O 3.28Å; L226-M334 WeakPolarHBondContact CD2-O 3.39Å; H294-M334 PolarHBondContact O-N 2.83Å; W332-M334 HydrophobicContact CH2-CG 4.3Å; M334-S336 PolarHBondContact O-N 2.68Å; M334-F475 WeakPolarHBondContact O-CE2 3.21Å |
| 335 | G | 80.5 | Confident | 89.9 | Confident | 13 Ų | 13 | 23.4 Ų | 23.4 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | A333 | A333-G335 PolarHBondContact O-N 3.49Š|
| 336 | S | 85.5 | Confident | 90.3 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | trans | -71.6 | 141.3 | 170.6 | -169.4 | 0 | 0 | 0 | 0 | 111.1 | W332 A333 M334 G338 E477 | W332-S336 PolarHBondContact NE1-O 3.32Å; A333-S336 WeakPolarHBondContact O-CB 3.17Å; A333-S336 PolarHBondContact O-N 3.34Å; M334-S336 PolarHBondContact O-N 2.68Å; S336-G338 PolarHBondContact OG-N 2.79Å; S336-E477 VanDerWaalsContact CB-OE2 3.23Å; S336-E477 WeakPolarHBondContact CB-OE2 3.49Å; S336-E477 PolarHBondContact OG-OE2 2.79Å | ||
| 337 | T | 84.7 | Confident | 91 | Very high | 63 Ų | 63 | 19.5 Ų | 19.5 | 39% | 0.387 | 10% | 0.104 | S | C | . | . | trans | -96.9 | 5.9 | 176.3 | 57.3 | 0 | 0 | 0 | 0 | 112.7 | Y27 R280 | Y27-T337 HydrophobicContact CD1-CG2 3.89Å; Y27-T337 HydrophobicContact CE1-CG2 3.91Å; R280-T337 PolarHBondContact NH2-O 2.83Å | ||
| 338 | G | 89.6 | Confident | 91.4 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 11% | 0.113 | 11% | 0.106 | C | C | . | . | trans | 89 | -162.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y281 S336 | Y281-G338 CarbonylContact O-C 3.58Å; Y281-G338 VanDerWaalsContact O-CA 3.26Å; Y281-G338 WeakPolarHBondContact O-CA 3.37Å; S336-G338 PolarHBondContact OG-N 2.79Å | ||
| 339 | L | 92.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.7 | -176.8 | -170.1 | 70.8 | 0 | 0 | 0 | 110.7 | R280 Y281 F341 F438 A439 I478 Q480 F524 | R280-L339 VanDerWaalsContact CA-O 3.23Å; R280-L339 WeakPolarHBondContact CA-O 3.38Å; R280-L339 WeakPolarHBondContact CG-O 3.31Å; Y281-L339 HydrophobicContact CD1-CB 4.09Å; Y281-L339 HydrophobicContact CE1-CB 3.41Å; Y281-L339 VanDerWaalsContact CE1-CB 3.41Å; Y281-L339 HydrophobicContact CE1-CD2 3.94Å; Y281-L339 HydrophobicContact CE1-CG 4.31Å; Y281-L339 HydrophobicContact CE2-CB 4.24Å; Y281-L339 VanDerWaalsContact CZ-CB 3.47Å; Y281-L339 PolarHBondContact N-O 3.44Å; Y281-L339 PolarHBondContact O-N 2.8Å; L339-F341 HydrophobicContact CB-CE1 4.41Å; L339-F341 HydrophobicContact CD2-CD1 4.36Å; L339-F341 HydrophobicContact CD2-CE1 3.78Å; L339-F341 HydrophobicContact CD2-CZ 4.22Å; L339-F341 HydrophobicContact CG-CD1 4.38Å; L339-F341 HydrophobicContact CG-CE1 4.16Å; L339-F438 HydrophobicContact CD2-CE2 4.34Å; L339-A439 HydrophobicContact CD1-CB 3.75Å; L339-A439 HydrophobicContact CD2-CB 4.02Å; L339-I478 HydrophobicContact CD1-CG2 4.12Å; L339-I478 HydrophobicContact CD2-CG2 3.74Å; L339-I478 HydrophobicContact CG-CG2 4.49Å; L339-Q480 HydrophobicContact CD1-CB 4.05Å; L339-F524 HydrophobicContact CD2-CD1 4.47Å |
| 340 | T | 93.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.8 | 170.9 | -59.1 | 0 | 0 | 0 | 0 | 109.2 | Y234 F237 R280 Q480 | Y234-T340 VanDerWaalsContact O-CB 3.26Å; Y234-T340 WeakPolarHBondContact O-CB 3.28Å; Y234-T340 WeakPolarHBondContact O-CG2 3.35Å; Y234-T340 PolarHBondContact O-OG1 3.38Å; Y234-T340 VanDerWaalsContact O-OG1 3.06Å; F237-T340 HydrophobicContact CB-CG2 3.84Å; F237-T340 HydrophobicContact CD2-CG2 3.9Å; F237-T340 HydrophobicContact CG-CG2 4.16Å; R280-T340 PolarHBondContact NH1-OG1 2.71Å; T340-Q480 PolarHBondContact O-OE1 2.86Å |
| 341 | F | 94.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -84.6 | 146.4 | -176.8 | -70.2 | 45.6 | 0 | 0 | 0 | 109.5 | V279 Y281 L339 R388 V392 F438 | V279-F341 WeakPolarHBondContact O-CB 3.38Å; V279-F341 PolarHBondContact O-N 3.37Å; Y281-F341 HydrophobicContact CD1-CE1 4.13Å; Y281-F341 HydrophobicContact CE1-CE1 4.3Å; L339-F341 HydrophobicContact CB-CE1 4.41Å; L339-F341 HydrophobicContact CD2-CD1 4.36Å; L339-F341 HydrophobicContact CD2-CE1 3.78Å; L339-F341 HydrophobicContact CD2-CZ 4.22Å; L339-F341 HydrophobicContact CG-CD1 4.38Å; L339-F341 HydrophobicContact CG-CE1 4.16Å; F341-R388 VanDerWaalsContact C-NH1 3.35Å; F341-R388 PolarHBondContact O-NH1 2.88Å; F341-V392 HydrophobicContact CD2-CB 4.29Å; F341-V392 HydrophobicContact CD2-CG1 4.49Å; F341-V392 HydrophobicContact CD2-CG2 3.67Å; F341-V392 HydrophobicContact CE2-CB 4.16Å; F341-V392 HydrophobicContact CE2-CG1 4.03Å; F341-V392 HydrophobicContact CE2-CG2 4.03Å; F341-F438 HydrophobicContact CD2-CE2 4.47Å; F341-F438 HydrophobicContact CD2-CZ 4.08Å; F341-F438 HydrophobicContact CE2-CZ 4.28Å; F341-F438 HydrophobicContact CG-CE2 4.45Å; F341-F438 HydrophobicContact CG-CZ 4.47Å |
| 342 | P | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 145.5 | 177.9 | -25.1 | 34.3 | 0 | 0 | 0 | 112.7 | Y234 E344 A345 R388 F438 Y526 | Y234-P342 HydrophobicContact CE1-CB 4.05Å; Y234-P342 HydrophobicContact CE1-CG 4.22Å; P342-E344 WeakPolarHBondContact CB-OE2 3.32Å; P342-E344 PolarHBondContact O-N 2.99Å; P342-A345 PolarHBondContact O-N 2.85Å; P342-R388 VanDerWaalsContact C-NH1 3.35Å; P342-R388 PolarHBondContact O-NH1 2.56Å; P342-F438 HydrophobicContact CG-CB 3.72Å; P342-F438 HydrophobicContact CG-CD1 3.81Å; P342-F438 HydrophobicContact CG-CD2 3.86Å; P342-F438 HydrophobicContact CG-CE1 4.36Å; P342-F438 HydrophobicContact CG-CE2 4.4Å; P342-F438 HydrophobicContact CG-CG 3.51Å; P342-Y526 HydrophobicContact CB-CE1 3.94Å; P342-Y526 HydrophobicContact CG-CD1 4.41Å; P342-Y526 HydrophobicContact CG-CE1 3.84Å |
| 343 | E | 92.6 | Very high | 89.1 | Confident | 166 Ų | 166 | 31.3 Ų | 31.3 | 78% | 0.776 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.5 | -176.6 | -65.4 | -169.1 | 163.6 | 0 | 0 | 113.7 | R388 | E343-R388 WeakPolarHBondContact O-CD 3.3Å; E343-R388 WeakPolarHBondContact O-CG 3.39Å; E343-R388 PolarHBondContact O-NE 2.91Å |
| 344 | E | 94.1 | Very high | 88.6 | Confident | 79 Ų | 79 | 32.3 Ų | 32.3 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -19.2 | 178.9 | -53.2 | 90.1 | 154.6 | 0 | 0 | 113.5 | P342 K389 Y390 Y526 | P342-E344 WeakPolarHBondContact CB-OE2 3.32Å; P342-E344 PolarHBondContact O-N 2.99Å; E344-K389 WeakPolarHBondContact O-CB 3.47Å; E344-K389 PolarHBondContact O-N 2.81Å; E344-K389 VanDerWaalsContact O-N 3.09Å; E344-Y390 HydrophobicContact CB-CD2 3.99Å; E344-Y390 HydrophobicContact CB-CE2 4.4Å; E344-Y390 PolarHBondContact O-N 3.3Å; E344-Y526 HydrophobicContact CB-CE2 4.12Å; E344-Y526 PolarHBondContact OE2-OH 3.06Å |
| 345 | A | 96.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 147.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P342 R388 Y390 V392 Y526 | P342-A345 PolarHBondContact O-N 2.85Å; A345-R388 WeakPolarHBondContact O-CD 3.47Å; A345-R388 PolarHBondContact O-NH1 2.86Å; A345-Y390 WeakPolarHBondContact CA-O 3.44Å; A345-V392 HydrophobicContact CB-CG2 3.6Å; A345-Y526 HydrophobicContact CB-CD1 3.83Å; A345-Y526 HydrophobicContact CB-CD2 4.42Å; A345-Y526 HydrophobicContact CB-CG 3.74Å |
| 346 | G | 96.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I278 Y390 D391 V392 | I278-G346 CarbonylContact O-C 3.53Å; I278-G346 WeakPolarHBondContact O-CA 3.42Å; G346-Y390 PolarHBondContact N-O 3.19Å; G346-Y390 VanDerWaalsContact N-O 3.11Å; G346-D391 CarbonylContact O-C 3.56Å; G346-D391 WeakPolarHBondContact O-CA 3.46Å; G346-V392 PolarHBondContact O-N 2.8Å |
| 347 | Y | 95.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 121.2 | -180 | -173.2 | -97.6 | 0 | 0 | 0 | 110.6 | H277 I278 R300 E327 I329 I349 V392 I394 | H277-Y347 CarbonylContact C-O 3.53Å; H277-Y347 WeakPolarHBondContact CA-O 3.43Å; I278-Y347 HydrophobicContact CD1-CD1 3.96Å; I278-Y347 HydrophobicContact CG1-CD1 4.48Å; I278-Y347 PolarHBondContact N-O 2.8Å; I278-Y347 PolarHBondContact O-N 2.83Å; R300-Y347 PolarHBondContact NH1-OH 2.91Å; E327-Y347 PolarHBondContact OE1-OH 2.79Å; E327-Y347 VanDerWaalsContact OE1-OH 3.06Å; E327-Y347 PolarHBondContact OE2-OH 3.08Å; I329-Y347 HydrophobicContact CB-CE1 4.36Å; I329-Y347 HydrophobicContact CG2-CE1 3.85Å; I329-Y347 HydrophobicContact CG2-CE2 4.21Å; I329-Y347 VanDerWaalsContact CG2-CZ 3.49Å; I329-Y347 WeakPolarHBondContact CG2-OH 3.47Å; Y347-I349 HydrophobicContact CD1-CG2 3.75Å; Y347-I349 HydrophobicContact CE1-CG2 3.93Å; Y347-I349 PolarHBondContact O-N 2.88Å; Y347-V392 HydrophobicContact CD2-CB 4.48Å; Y347-V392 HydrophobicContact CD2-CG1 4.38Å; Y347-I394 HydrophobicContact CD2-CD1 4.38Å; Y347-I394 HydrophobicContact CE2-CD1 3.68Å; Y347-I394 HydrophobicContact CE2-CG1 4.32Å |
| 348 | P | 93.5 | Very high | 89.6 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.1 | -173.2 | 30.1 | -35.4 | 0 | 0 | 0 | 111.6 | D391 | P348-D391 HydrophobicContact CB-CB 4.5Å; P348-D391 HydrophobicContact CG-CB 4.03Å |
| 349 | I | 91.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.9 | 173.8 | 61.7 | 169.3 | 0 | 0 | 0 | 111.8 | P270 F272 H276 I278 Y347 I383 | P270-I349 HydrophobicContact CG-CD1 4.28Å; F272-I349 HydrophobicContact CD2-CD1 4.11Å; F272-I349 HydrophobicContact CD2-CG1 4.37Å; F272-I349 HydrophobicContact CE2-CD1 3.63Å; F272-I349 HydrophobicContact CE2-CG1 4.37Å; H276-I349 HydrophobicContact CB-CG1 4.02Å; H276-I349 PolarHBondContact N-O 2.99Å; H276-I349 PolarHBondContact O-N 3.3Å; I278-I349 HydrophobicContact CD1-CD1 4.21Å; I278-I349 HydrophobicContact CD1-CG2 3.78Å; I278-I349 HydrophobicContact CG1-CD1 3.7Å; I278-I349 HydrophobicContact CG1-CG1 4.21Å; I278-I349 HydrophobicContact CG1-CG2 3.98Å; Y347-I349 HydrophobicContact CD1-CG2 3.75Å; Y347-I349 HydrophobicContact CE1-CG2 3.93Å; Y347-I349 PolarHBondContact O-N 2.88Å; I349-I383 HydrophobicContact CD1-CD1 3.82Å; I349-I383 HydrophobicContact CD1-CG1 4.15Å; I349-I383 HydrophobicContact CD1-CG2 3.91Å |
| 350 | G | 87.5 | Confident | 90 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.5 | -161.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S353 | G350-S353 PolarHBondContact O-OG 3.45Å; G350-S353 VanDerWaalsContact O-OG 3.08Å |
| 351 | G | 83.8 | Confident | 90 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 87.5 | -158.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F272 S353 G354 | F272-G351 PolarHBondContact O-N 3.29Å; G351-S353 PolarHBondContact O-N 3.28Å; G351-S353 VanDerWaalsContact O-N 3.13Å; G351-G354 PolarHBondContact O-N 3.2Å |
| 352 | L | 77.5 | Confident | 90.1 | Very high | 183 Ų | 183 | 35.3 Ų | 35.3 | 96% | 0.958 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -5.8 | -171.9 | -62.2 | 176.3 | 0 | 0 | 0 | 114.2 | G354 | L352-G354 PolarHBondContact O-N 3.26Š|
| 353 | S | 74.1 | Confident | 90 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.7 | 171.7 | 28.4 | 0 | 0 | 0 | 0 | 112.4 | H304 G350 G351 | H304-S353 PolarHBondContact CE1-O 3.23Å; H304-S353 PolarHBondContact ND1-O 2.72Å; H304-S353 PolarHBondContact NE2-O 2.65Å; G350-S353 PolarHBondContact O-OG 3.45Å; G350-S353 VanDerWaalsContact O-OG 3.08Å; G351-S353 PolarHBondContact O-N 3.28Å; G351-S353 VanDerWaalsContact O-N 3.13Å |
| 354 | G | 77.5 | Confident | 90.1 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | trans | 76.7 | -159.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y271 G351 L352 | Y271-G354 WeakPolarHBondContact CD2-O 3.45Å; G351-G354 PolarHBondContact O-N 3.2Å; L352-G354 PolarHBondContact O-N 3.26Å | ||
| 355 | K | 83.8 | Confident | 89.8 | Confident | 100 Ų | 100 | 27.8 Ų | 27.8 | 44% | 0.435 | 15% | 0.147 | S | C | . | . | trans | -69.6 | 140.2 | -179.5 | -77 | -168.9 | 169.6 | -154.7 | 0 | 111.3 | E268 Y271 H304 | E268-K355 IonicContact OE1-NZ 3.9Å; E268-K355 IonicContact OE2-NZ 3.59Å; E268-K355 PolarHBondContact OE2-NZ 2.86Å; Y271-K355 HydrophobicContact CG-CG 4.4Å; H304-K355 PolarHBondContact ND1-O 2.78Å | ||
| 356 | E | 88.4 | Confident | 89.5 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | trans | -122.1 | 148.5 | 179.1 | -55.2 | -173.4 | 97.4 | 0 | 0 | 109.9 | L269 R300 | L269-E356 HydrophobicContact CB-CB 4.21Å; L269-E356 HydrophobicContact CD1-CB 4.05Å; L269-E356 PolarHBondContact N-O 3.23Å; R300-E356 IonicContact CZ-OE1 3.68Å; R300-E356 IonicContact NE-OE1 2.94Å; R300-E356 PolarHBondContact NE-OE1 2.85Å; R300-E356 IonicContact NH2-OE1 2.55Å; R300-E356 PolarHBondContact NH2-OE1 2.65Å | ||
| 357 | Y | 91.4 | Very high | 88.8 | Confident | 31 Ų | 31 | 30.1 Ų | 30.1 | 12% | 0.122 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 155.7 | -179.9 | -70 | -93.1 | 0 | 0 | 0 | 109.5 | T266 I267 E268 C301 H304 K306 | T266-Y357 HydrophobicContact CG2-CD1 4.17Å; I267-Y357 WeakPolarHBondContact O-CA 3.01Å; E268-Y357 HydrophobicContact CG-CD1 3.86Å; E268-Y357 HydrophobicContact CG-CE1 3.32Å; E268-Y357 PolarHBondContact OE1-OH 3.24Å; C301-Y357 VanDerWaalsContact CB-O 3.26Å; C301-Y357 WeakPolarHBondContact CB-O 3.39Å; C301-Y357 PolarHBondContact N-O 3.23Å; H304-Y357 VanDerWaalsContact O-CE2 3.29Å; H304-Y357 WeakPolarHBondContact O-CE2 3.29Å; K306-Y357 HydrophobicContact CB-CD1 4.23Å; K306-Y357 HydrophobicContact CB-CD2 4.46Å; K306-Y357 HydrophobicContact CB-CG 3.95Å; K306-Y357 HydrophobicContact CG-CD2 4.45Å; K306-Y357 HydrophobicContact CG-CG 4.1Å |
| 358 | A | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 167.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | T266 I267 L269 V298 F299 | T266-A358 WeakPolarHBondContact CA-O 3.35Å; I267-A358 HydrophobicContact CD1-CB 3.92Å; I267-A358 HydrophobicContact CG1-CB 3.89Å; I267-A358 WeakPolarHBondContact CG1-O 3.44Å; I267-A358 PolarHBondContact N-O 3Å; I267-A358 PolarHBondContact O-N 2.89Å; L269-A358 HydrophobicContact CD1-CB 4.31Å; L269-A358 HydrophobicContact CD2-CB 3.95Å; L269-A358 HydrophobicContact CG-CB 4.02Å; V298-A358 HydrophobicContact CG1-CB 3.68Å; F299-A358 CarbonylContact O-C 3.39Å; F299-A358 WeakPolarHBondContact O-CA 3.3Å; F299-A358 WeakPolarHBondContact O-CB 3.36Å |
| 359 | V | 94.5 | Very high | 88.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123 | 164.6 | 175.8 | 0 | 0 | 0 | 0 | 107 | C264 K265 V298 F299 L322 C325 | C264-V359 HydrophobicContact CB-CG1 4.06Å; K265-V359 CarbonylContact O-C 3.57Å; K265-V359 WeakPolarHBondContact O-CA 3.26Å; V298-V359 WeakPolarHBondContact CA-O 3.4Å; F299-V359 PolarHBondContact N-O 3.23Å; F299-V359 PolarHBondContact O-N 2.82Å; L322-V359 HydrophobicContact CB-CG2 4.38Å; L322-V359 HydrophobicContact CD1-CG2 4.26Å; L322-V359 HydrophobicContact CD2-CG2 3.96Å; L322-V359 HydrophobicContact CG-CG2 4.43Å; C325-V359 HydrophobicContact CB-CG2 4.18Å |
| 360 | I | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 129.9 | 163.6 | -175.3 | 169.3 | 0 | 0 | 0 | 108.3 | L248 V250 C264 K265 I267 E297 V298 I362 F379 | L248-I360 HydrophobicContact CD2-CB 4.35Å; L248-I360 HydrophobicContact CD2-CD1 3.84Å; V250-I360 HydrophobicContact CG1-CD1 4.42Å; V250-I360 HydrophobicContact CG1-CG2 3.74Å; C264-I360 CarbonylContact C-O 3.53Å; C264-I360 WeakPolarHBondContact CA-O 3.46Å; K265-I360 HydrophobicContact CB-CG2 3.83Å; K265-I360 PolarHBondContact N-O 2.87Å; K265-I360 PolarHBondContact O-N 3.19Å; I267-I360 HydrophobicContact CD1-CB 3.74Å; I267-I360 HydrophobicContact CD1-CG2 4.01Å; I267-I360 HydrophobicContact CG1-CG2 4.44Å; I267-I360 HydrophobicContact CG2-CG2 3.96Å; E297-I360 CarbonylContact O-C 3.56Å; E297-I360 VanDerWaalsContact O-CA 3.32Å; E297-I360 WeakPolarHBondContact O-CA 3.37Å; V298-I360 HydrophobicContact CG2-CB 4.47Å; V298-I360 HydrophobicContact CG2-CG1 4.32Å; I360-I362 HydrophobicContact CD1-CD1 4.13Å; I360-I362 HydrophobicContact CD1-CG1 4.18Å; I360-I362 HydrophobicContact CG1-CD1 4.48Å; I360-I362 HydrophobicContact CG1-CG1 4.03Å; I360-F379 HydrophobicContact CD1-CD2 4.18Å; I360-F379 HydrophobicContact CD1-CE2 4.41Å |
| 361 | E | 94.6 | Very high | 88.7 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.5 | 171.4 | 179.9 | 162 | 167.7 | 0 | 0 | 108.8 | Y262 W263 M296 E297 F299 | Y262-E361 WeakPolarHBondContact CD1-OE1 3.47Å; W263-E361 CarbonylContact O-C 3.42Å; W263-E361 VanDerWaalsContact O-CA 3.29Å; W263-E361 WeakPolarHBondContact O-CA 3.44Å; M296-E361 CarbonylContact C-O 3.21Å; M296-E361 VanDerWaalsContact CA-O 3.24Å; M296-E361 WeakPolarHBondContact CA-O 3.29Å; E297-E361 PolarHBondContact N-O 2.88Å; E297-E361 PolarHBondContact O-N 2.87Å; F299-E361 HydrophobicContact CD2-CB 4.39Å; F299-E361 HydrophobicContact CE2-CB 3.74Å |
| 362 | I | 95.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.5 | 176.4 | -57.2 | -171.8 | 0 | 0 | 0 | 108.4 | V250 W263 I293 M296 I360 Y364 | V250-I362 HydrophobicContact CB-CD1 4.41Å; V250-I362 HydrophobicContact CG1-CD1 3.59Å; V250-I362 HydrophobicContact CG1-CG1 4.36Å; V250-I362 HydrophobicContact CG2-CD1 3.92Å; W263-I362 PolarHBondContact N-O 2.82Å; W263-I362 PolarHBondContact O-N 2.85Å; I293-I362 HydrophobicContact CD1-CG2 4.26Å; I293-I362 HydrophobicContact CG1-CG2 4Å; I293-I362 HydrophobicContact CG2-CG2 3.97Å; M296-I362 HydrophobicContact CB-CG1 4.48Å; M296-I362 HydrophobicContact CG-CB 4.36Å; M296-I362 HydrophobicContact CG-CD1 4.41Å; M296-I362 HydrophobicContact CG-CG1 3.95Å; M296-I362 HydrophobicContact CG-CG2 4.05Å; M296-I362 HydrophobicContact SD-CD1 4.08Å; M296-I362 HydrophobicContact SD-CG1 4.26Å; I360-I362 HydrophobicContact CD1-CD1 4.13Å; I360-I362 HydrophobicContact CD1-CG1 4.18Å; I360-I362 HydrophobicContact CG1-CD1 4.48Å; I360-I362 HydrophobicContact CG1-CG1 4.03Å; I362-Y364 HydrophobicContact CB-CE2 4.02Å; I362-Y364 HydrophobicContact CG2-CD1 4Å; I362-Y364 HydrophobicContact CG2-CD2 4.12Å; I362-Y364 HydrophobicContact CG2-CE1 3.59Å; I362-Y364 HydrophobicContact CG2-CE2 3.73Å; I362-Y364 HydrophobicContact CG2-CG 4.25Å; I362-Y364 VanDerWaalsContact CG2-CZ 3.44Å |
| 363 | H | 93 | Very high | 89.8 | Confident | 3 Ų | 3 | 38 Ų | 38 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 107.2 | 171.7 | 176.1 | -147.7 | 0 | 0 | 0 | 109.6 | T260 T261 Y262 H294 H295 | T260-H363 VanDerWaalsContact CG2-NE2 3.28Å; T260-H363 WeakPolarHBondContact CG2-NE2 3.44Å; T261-H363 CarbonylContact O-C 3.56Å; T261-H363 WeakPolarHBondContact O-CA 3.24Å; Y262-H363 HydrophobicContact CD1-CB 3.89Å; Y262-H363 HydrophobicContact CE1-CB 3.8Å; Y262-H363 AromaticContact CE1-CD2 3.71Å; Y262-H363 AromaticContact CE1-CG 3.59Å; Y262-H363 AromaticContact CE2-CD2 3.78Å; Y262-H363 AromaticContact CE2-NE2 3.95Å; Y262-H363 AromaticContact CZ-CD2 3.53Å; Y262-H363 AromaticContact CZ-CG 3.81Å; Y262-H363 AromaticContact CZ-NE2 3.68Å; H294-H363 PolarHBondContact N-O 3.09Å; H294-H363 AromaticContact ND1-CE1 3.61Å; H294-H363 AromaticContact ND1-ND1 3.58Å; H295-H363 VanDerWaalsContact CE1-CB 3.43Å; H295-H363 WeakPolarHBondContact CE1-CB 3.37Å; H295-H363 AromaticContact CE1-CG 3.57Å; H295-H363 AromaticContact CE1-ND1 3.14Å; H295-H363 PolarHBondContact CE1-ND1 2.97Å; H295-H363 AromaticContact ND1-CG 3.88Å; H295-H363 AromaticContact ND1-ND1 3.24Å; H295-H363 PolarHBondContact ND1-ND1 2.88Å; H295-H363 VanDerWaalsContact NE2-CB 3.35Å; H295-H363 WeakPolarHBondContact NE2-CB 3.26Å; H295-H363 AromaticContact NE2-CG 3.98Å; H295-H363 AromaticContact NE2-ND1 3.99Å; H295-H363 PolarHBondContact O-N 3.22Å |
| 364 | Y | 93.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.9 | 172.5 | -60.8 | -74.2 | 0 | 0 | 0 | 111.1 | V253 V255 T260 T261 W263 F292 I293 I362 D375 | V253-Y364 HydrophobicContact CG1-CE2 4.09Å; V255-Y364 HydrophobicContact CB-CD1 4.48Å; V255-Y364 HydrophobicContact CG1-CD1 3.93Å; V255-Y364 HydrophobicContact CG1-CD2 4.29Å; V255-Y364 HydrophobicContact CG1-CG 3.74Å; V255-Y364 HydrophobicContact CG2-CD1 3.7Å; V255-Y364 HydrophobicContact CG2-CD2 4.47Å; V255-Y364 HydrophobicContact CG2-CE1 3.57Å; V255-Y364 HydrophobicContact CG2-CE2 4.35Å; V255-Y364 HydrophobicContact CG2-CG 4.15Å; T260-Y364 WeakPolarHBondContact CA-O 3.37Å; T261-Y364 PolarHBondContact N-O 3.2Å; T261-Y364 PolarHBondContact O-N 2.89Å; W263-Y364 HydrophobicContact CB-CD2 4.08Å; W263-Y364 HydrophobicContact CB-CE2 3.66Å; W263-Y364 HydrophobicContact CG-CE2 4.26Å; F292-Y364 CarbonylContact O-C 3.53Å; F292-Y364 WeakPolarHBondContact O-CA 3.17Å; I293-Y364 HydrophobicContact CD1-CE1 4.18Å; I293-Y364 HydrophobicContact CG1-CD1 3.87Å; I293-Y364 HydrophobicContact CG1-CE1 3.67Å; I362-Y364 HydrophobicContact CB-CE2 4.02Å; I362-Y364 HydrophobicContact CG2-CD1 4Å; I362-Y364 HydrophobicContact CG2-CD2 4.12Å; I362-Y364 HydrophobicContact CG2-CE1 3.59Å; I362-Y364 HydrophobicContact CG2-CE2 3.73Å; I362-Y364 HydrophobicContact CG2-CG 4.25Å; I362-Y364 VanDerWaalsContact CG2-CZ 3.44Å; Y364-D375 HydrophobicContact CE1-CB 4.09Å; Y364-D375 WeakPolarHBondContact OH-CB 3.28Å; Y364-D375 PolarHBondContact OH-OD2 3.4Å |
| 365 | Y | 88 | Confident | 91.7 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 115.4 | 169.4 | -176.1 | -119 | 0 | 0 | 0 | 109.3 | E259 F292 P367 | E259-Y365 HydrophobicContact CG-CD2 4.33Å; E259-Y365 HydrophobicContact CG-CE2 3.78Å; E259-Y365 CarbonylContact O-C 3.57Å; E259-Y365 WeakPolarHBondContact O-CA 3.25Å; E259-Y365 WeakPolarHBondContact O-CD2 3.32Å; F292-Y365 PolarHBondContact O-N 2.77Å; Y365-P367 HydrophobicContact CD1-CG 4.17Å; Y365-P367 HydrophobicContact CE1-CB 4.08Å; Y365-P367 HydrophobicContact CE1-CG 3.64Å; Y365-P367 HydrophobicContact CE2-CB 4.36Å |
| 366 | N | 90.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -133 | 66.9 | -174.1 | -177.3 | 16.5 | 0 | 0 | 0 | 110.4 | P256 E259 F292 D368 N369 I370 | P256-N366 PolarHBondContact O-ND2 2.85Å; P256-N366 VanDerWaalsContact O-ND2 3.09Å; E259-N366 WeakPolarHBondContact CA-O 3.06Å; E259-N366 PolarHBondContact O-N 3.11Å; F292-N366 HydrophobicContact CD1-CB 4.25Å; N366-D368 PolarHBondContact O-N 2.87Å; N366-N369 PolarHBondContact O-N 2.87Å; N366-I370 PolarHBondContact ND2-N 3.26Å; N366-I370 PolarHBondContact ND2-O 3.48Å; N366-I370 PolarHBondContact OD1-N 2.97Å | ||
| 367 | P | 83.9 | Confident | 92.7 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 31% | 0.312 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.8 | -171.3 | 24.4 | -34.9 | 0 | 0 | 0 | 113.6 | Y365 N369 | Y365-P367 HydrophobicContact CD1-CG 4.17Å; Y365-P367 HydrophobicContact CE1-CB 4.08Å; Y365-P367 HydrophobicContact CE1-CG 3.64Å; Y365-P367 HydrophobicContact CE2-CB 4.36Å; P367-N369 PolarHBondContact O-N 2.85Å |
| 368 | D | 87.4 | Confident | 92.9 | Very high | 112 Ų | 112 | 31.1 Ų | 31.1 | 60% | 0.599 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.1 | 179.7 | -59.3 | -48 | 0 | 0 | 0 | 113 | N366 I370 | N366-D368 PolarHBondContact O-N 2.87Å; D368-I370 HydrophobicContact CB-CD1 3.98Å; D368-I370 HydrophobicContact CB-CG1 3.82Å; D368-I370 PolarHBondContact O-N 2.98Å |
| 369 | N | 91.7 | Very high | 93 | Very high | 82 Ų | 82 | 31.1 Ų | 31.1 | 44% | 0.439 | 18% | 0.18 | S | C | . | . | trans | 50.9 | 40.1 | -178.8 | -57.4 | -49.3 | 0 | 0 | 0 | 112.8 | V258 E259 N366 P367 S371 | V258-N369 VanDerWaalsContact CA-OD1 3.27Å; V258-N369 WeakPolarHBondContact CA-OD1 3.4Å; E259-N369 PolarHBondContact N-OD1 2.96Å; N366-N369 PolarHBondContact O-N 2.87Å; P367-N369 PolarHBondContact O-N 2.85Å; N369-S371 PolarHBondContact O-N 3.46Å | ||
| 370 | I | 91.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | trans | -67.8 | 129.9 | -178.4 | -62.9 | 167.2 | 0 | 0 | 0 | 108.5 | F292 N366 D368 I373 | F292-I370 HydrophobicContact CE1-CD1 4.14Å; F292-I370 HydrophobicContact CZ-CD1 3.94Å; N366-I370 PolarHBondContact ND2-N 3.26Å; N366-I370 PolarHBondContact ND2-O 3.48Å; N366-I370 PolarHBondContact OD1-N 2.97Å; D368-I370 HydrophobicContact CB-CD1 3.98Å; D368-I370 HydrophobicContact CB-CG1 3.82Å; D368-I370 PolarHBondContact O-N 2.98Å; I370-I373 HydrophobicContact CB-CD1 3.87Å; I370-I373 HydrophobicContact CG2-CD1 3.76Å; I370-I373 HydrophobicContact CG2-CG1 3.96Å | ||
| 371 | S | 93.4 | Very high | 93.1 | Very high | 90 Ų | 90 | 34.5 Ų | 34.5 | 63% | 0.629 | 19% | 0.192 | S | C | * | . | trans | -96 | 160.5 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | A257 N369 I373 | A257-S371 VanDerWaalsContact CB-OG 3.28Å; A257-S371 WeakPolarHBondContact CB-OG 3.27Å; N369-S371 PolarHBondContact O-N 3.46Å; S371-I373 VanDerWaalsContact C-N 3.3Å; S371-I373 PolarHBondContact O-N 2.87Å | ||
| 372 | G | 93.2 | Very high | 93.2 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 52% | 0.515 | 19% | 0.187 | S | C | . | . | trans | 78.9 | 9.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I374 | G372-I374 PolarHBondContact O-N 3.43Š| ||
| 373 | I | 92.5 | Very high | 93.2 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 10% | 0.097 | 19% | 0.188 | C | C | . | . | trans | -74.3 | 118.8 | 171.7 | -58.2 | 162.4 | 0 | 0 | 0 | 107.5 | E254 V255 F292 I370 S371 | E254-I373 WeakPolarHBondContact CA-O 3.25Å; V255-I373 HydrophobicContact CB-CB 4.09Å; V255-I373 HydrophobicContact CB-CG2 4.17Å; V255-I373 HydrophobicContact CG2-CB 4.27Å; V255-I373 HydrophobicContact CG2-CG2 3.81Å; V255-I373 PolarHBondContact N-O 2.89Å; F292-I373 HydrophobicContact CD1-CD1 3.83Å; F292-I373 HydrophobicContact CD2-CD1 4.13Å; F292-I373 HydrophobicContact CE1-CD1 3.4Å; F292-I373 HydrophobicContact CE2-CD1 3.73Å; F292-I373 HydrophobicContact CE2-CG1 4.45Å; F292-I373 HydrophobicContact CG-CD1 4.18Å; F292-I373 HydrophobicContact CZ-CD1 3.35Å; F292-I373 HydrophobicContact CZ-CG1 4.37Å; I370-I373 HydrophobicContact CB-CD1 3.87Å; I370-I373 HydrophobicContact CG2-CD1 3.76Å; I370-I373 HydrophobicContact CG2-CG1 3.96Å; S371-I373 VanDerWaalsContact C-N 3.3Å; S371-I373 PolarHBondContact O-N 2.87Å | ||
| 374 | I | 95.5 | Very high | 93.3 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.6 | 171.8 | -53 | -59.2 | 0 | 0 | 0 | 107.4 | K252 V253 E254 R288 G372 | K252-I374 HydrophobicContact CB-CG2 4.17Å; V253-I374 CarbonylContact O-C 3.46Å; V253-I374 WeakPolarHBondContact O-CA 3.36Å; E254-I374 HydrophobicContact CB-CD1 3.77Å; E254-I374 HydrophobicContact CG-CD1 3.92Å; R288-I374 PolarHBondContact NE-O 3.14Å; R288-I374 PolarHBondContact NH1-O 3.02Å; R288-I374 VanDerWaalsContact NH2-C 3.25Å; R288-I374 PolarHBondContact NH2-O 2.87Å; G372-I374 PolarHBondContact O-N 3.43Å |
| 375 | D | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.5 | 179.1 | -175.4 | 56.8 | 0 | 0 | 0 | 112.1 | V250 K252 V253 V255 S289 Y364 S377 | V250-D375 WeakPolarHBondContact CG2-OD2 3.41Å; K252-D375 PolarHBondContact N-O 2.55Å; V253-D375 HydrophobicContact CB-CB 4.48Å; V253-D375 PolarHBondContact N-O 3.45Å; V253-D375 VanDerWaalsContact N-O 3.08Å; V253-D375 PolarHBondContact O-N 2.58Å; V255-D375 HydrophobicContact CG2-CB 4.09Å; S289-D375 WeakPolarHBondContact CB-OD1 3.38Å; S289-D375 PolarHBondContact OG-OD1 3.13Å; Y364-D375 HydrophobicContact CE1-CB 4.09Å; Y364-D375 WeakPolarHBondContact OH-CB 3.28Å; Y364-D375 PolarHBondContact OH-OD2 3.4Å; D375-S377 VanDerWaalsContact OD1-CB 3.25Å; D375-S377 WeakPolarHBondContact OD1-CB 3.16Å; D375-S377 PolarHBondContact OD1-N 2.97Å; D375-S377 PolarHBondContact OD1-OG 2.99Å; D375-S377 WeakPolarHBondContact OD2-CB 3.47Å; D375-S377 PolarHBondContact OD2-N 2.87Å |
| 376 | N | 96.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | trans | -140.9 | 43.3 | 165.4 | -46.1 | -97.9 | 0 | 0 | 0 | 110.3 | V250 K252 Q286 R288 | V250-N376 VanDerWaalsContact O-CA 3.25Å; V250-N376 WeakPolarHBondContact O-CA 3.48Å; V250-N376 WeakPolarHBondContact O-CB 3.36Å; K252-N376 PolarHBondContact N-OD1 2.99Å; Q286-N376 HydrophobicContact CG-CB 4.48Å; Q286-N376 PolarHBondContact NE2-ND2 2.79Å; Q286-N376 PolarHBondContact OE1-ND2 3.14Å; R288-N376 PolarHBondContact NH2-ND2 2.75Å | ||
| 377 | S | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -89 | 168 | -177.3 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | H249 V250 D284 Q286 I293 D375 | H249-S377 WeakPolarHBondContact CA-O 3.3Å; V250-S377 PolarHBondContact N-O 2.99Å; D284-S377 WeakPolarHBondContact O-CA 3.35Å; Q286-S377 PolarHBondContact N-OG 2.68Å; Q286-S377 VanDerWaalsContact N-OG 3.08Å; I293-S377 WeakPolarHBondContact CD1-OG 3.15Å; D375-S377 VanDerWaalsContact OD1-CB 3.25Å; D375-S377 WeakPolarHBondContact OD1-CB 3.16Å; D375-S377 PolarHBondContact OD1-N 2.97Å; D375-S377 PolarHBondContact OD1-OG 2.99Å; D375-S377 WeakPolarHBondContact OD2-CB 3.47Å; D375-S377 PolarHBondContact OD2-N 2.87Å | ||
| 378 | G | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | -127.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L248 D284 M296 | L248-G378 CarbonylContact O-C 3.55Å; L248-G378 VanDerWaalsContact O-CA 3.3Å; L248-G378 WeakPolarHBondContact O-CA 3.22Å; D284-G378 PolarHBondContact N-O 3.03Å; D284-G378 PolarHBondContact O-N 3.46Å; M296-G378 VanDerWaalsContact CE-O 3.24Å; M296-G378 WeakPolarHBondContact CE-O 3.24Å |
| 379 | F | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.2 | -172.2 | -70.8 | -90 | 0 | 0 | 0 | 112.7 | S247 L248 Y281 E282 M296 V298 A330 W332 I360 F381 | S247-F379 CarbonylContact C-O 3.59Å; S247-F379 WeakPolarHBondContact CA-O 3.41Å; L248-F379 PolarHBondContact N-O 3.38Å; L248-F379 PolarHBondContact O-N 2.86Å; Y281-F379 AromaticContact CD2-CD1 3.84Å; Y281-F379 HydrophobicContact CD2-CD1 3.84Å; Y281-F379 AromaticContact CD2-CE1 4Å; Y281-F379 HydrophobicContact CD2-CE1 4Å; Y281-F379 HydrophobicContact CE2-CD1 4.4Å; Y281-F379 HydrophobicContact CE2-CE1 4.09Å; E282-F379 CarbonylContact O-C 3.49Å; E282-F379 WeakPolarHBondContact O-CA 3.23Å; M296-F379 HydrophobicContact CB-CE2 3.59Å; M296-F379 HydrophobicContact CB-CZ 3.71Å; M296-F379 HydrophobicContact CE-CE2 4.43Å; M296-F379 HydrophobicContact CE-CZ 4.44Å; M296-F379 WeakPolarHBondContact O-CZ 3.22Å; V298-F379 HydrophobicContact CG2-CD2 3.48Å; V298-F379 VanDerWaalsContact CG2-CD2 3.48Å; V298-F379 HydrophobicContact CG2-CE2 3.59Å; V298-F379 HydrophobicContact CG2-CG 4.34Å; A330-F379 HydrophobicContact CB-CD1 4.05Å; A330-F379 HydrophobicContact CB-CE1 3.95Å; A330-F379 HydrophobicContact CB-CG 4.45Å; A330-F379 HydrophobicContact CB-CZ 4.28Å; W332-F379 HydrophobicContact CB-CE1 3.65Å; W332-F379 HydrophobicContact CB-CZ 3.9Å; I360-F379 HydrophobicContact CD1-CD2 4.18Å; I360-F379 HydrophobicContact CD1-CE2 4.41Å; F379-F381 HydrophobicContact CB-CD2 4.27Å; F379-F381 HydrophobicContact CB-CE2 3.72Å; F379-F381 HydrophobicContact CB-CZ 4.11Å |
| 380 | R | 95.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 46 Ų | 46 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.5 | 161.5 | -89.5 | 176.2 | -63.7 | 133.5 | 11.9 | 109.5 | I245 S247 Y281 E282 N283 D284 | I245-R380 HydrophobicContact CG2-CB 4.32Å; I245-R380 HydrophobicContact CG2-CG 4.03Å; S247-R380 VanDerWaalsContact OG-CG 3.23Å; S247-R380 WeakPolarHBondContact OG-CG 3.23Å; Y281-R380 CarbonylContact C-O 3.46Å; Y281-R380 WeakPolarHBondContact CA-O 3.25Å; E282-R380 HydrophobicContact CG-CB 4.13Å; E282-R380 PolarHBondContact N-O 2.81Å; E282-R380 PolarHBondContact O-N 2.79Å; E282-R380 IonicContact OE1-CZ 2.86Å; E282-R380 IonicContact OE1-NE 2.62Å; E282-R380 IonicContact OE1-NH1 3.64Å; E282-R380 PolarHBondContact OE1-NH1 2.87Å; E282-R380 IonicContact OE1-NH2 3.21Å; E282-R380 PolarHBondContact OE1-NH2 2.72Å; N283-R380 PolarHBondContact O-NH2 2.78Å; D284-R380 HydrophobicContact CB-CB 4.46Å; D284-R380 HydrophobicContact CB-CG 3.88Å; D284-R380 IonicContact OD1-NE 3.39Å; D284-R380 VanDerWaalsContact OD2-CD 3.31Å; D284-R380 WeakPolarHBondContact OD2-CD 3.34Å; D284-R380 VanDerWaalsContact OD2-CG 3.27Å; D284-R380 WeakPolarHBondContact OD2-CG 3.48Å; D284-R380 IonicContact OD2-NE 2.79Å; D284-R380 PolarHBondContact OD2-NE 2.92Å |
| 381 | F | 95.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.2 | 174 | -68.1 | -80.7 | 0 | 0 | 0 | 110.4 | I245 F246 L248 I278 Y281 V298 A330 F379 I383 | I245-F381 CarbonylContact C-O 3.46Å; I245-F381 WeakPolarHBondContact CA-O 3.48Å; F246-F381 HydrophobicContact CD1-CD2 4.34Å; F246-F381 PolarHBondContact N-O 2.92Å; F246-F381 PolarHBondContact O-N 3.34Å; L248-F381 HydrophobicContact CB-CD2 4.17Å; L248-F381 HydrophobicContact CB-CE2 3.95Å; L248-F381 HydrophobicContact CD1-CD2 4.43Å; L248-F381 HydrophobicContact CD1-CE2 3.74Å; L248-F381 HydrophobicContact CG-CE2 4.35Å; I278-F381 HydrophobicContact CD1-CD1 3.82Å; I278-F381 HydrophobicContact CD1-CE1 4.17Å; I278-F381 HydrophobicContact CD1-CG 4.49Å; I278-F381 HydrophobicContact CG2-CB 4.47Å; I278-F381 HydrophobicContact CG2-CD1 3.78Å; Y281-F381 HydrophobicContact CG-CE1 4.3Å; V298-F381 HydrophobicContact CG2-CZ 4.48Å; A330-F381 HydrophobicContact CB-CE1 3.79Å; A330-F381 HydrophobicContact CB-CZ 3.74Å; F379-F381 HydrophobicContact CB-CD2 4.27Å; F379-F381 HydrophobicContact CB-CE2 3.72Å; F379-F381 HydrophobicContact CB-CZ 4.11Å; F381-I383 HydrophobicContact CB-CD1 4.28Å; F381-I383 HydrophobicContact CB-CG1 4.18Å |
| 382 | Y | 96.2 | Very high | 95.9 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.2 | 174.8 | -65.3 | -101 | 0 | 0 | 0 | 108.3 | F237 V239 I243 I245 I278 V279 R280 E282 | F237-Y382 AromaticContact CE1-CD1 3.74Å; F237-Y382 HydrophobicContact CE1-CD1 3.74Å; F237-Y382 HydrophobicContact CE1-CE1 4.26Å; F237-Y382 AromaticContact CE1-CG 3.98Å; F237-Y382 HydrophobicContact CE1-CG 3.98Å; F237-Y382 HydrophobicContact CZ-CD1 4.27Å; F237-Y382 HydrophobicContact CZ-CG 4.28Å; V239-Y382 HydrophobicContact CG2-CD1 4.1Å; V239-Y382 HydrophobicContact CG2-CE1 3.75Å; I243-Y382 HydrophobicContact CG2-CD1 3.94Å; I243-Y382 HydrophobicContact CG2-CG 4.4Å; I245-Y382 HydrophobicContact CD1-CD1 4.31Å; I245-Y382 HydrophobicContact CD1-CE1 3.78Å; I245-Y382 HydrophobicContact CG1-CD1 3.89Å; I245-Y382 HydrophobicContact CG1-CE1 3.85Å; I278-Y382 WeakPolarHBondContact CA-O 3.43Å; V279-Y382 WeakPolarHBondContact CG2-O 3.48Å; V279-Y382 PolarHBondContact N-O 2.85Å; R280-Y382 HydrophobicContact CB-CD2 3.88Å; R280-Y382 HydrophobicContact CB-CG 4.13Å; R280-Y382 HydrophobicContact CG-CD2 3.77Å; R280-Y382 HydrophobicContact CG-CE2 4.19Å; R280-Y382 HydrophobicContact CG-CG 4.42Å; R280-Y382 PolarHBondContact O-N 2.87Å; E282-Y382 VanDerWaalsContact CD-OH 3.28Å; E282-Y382 HydrophobicContact CG-CE2 3.98Å; E282-Y382 PolarHBondContact OE1-OH 3.42Å |
| 383 | I | 95.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.3 | -166.3 | -56 | 171.6 | 0 | 0 | 0 | 109.3 | I243 K244 F246 P270 F272 H276 H277 I278 I349 F381 | I243-I383 CarbonylContact C-O 3.57Å; I243-I383 WeakPolarHBondContact CA-O 3.21Å; K244-I383 PolarHBondContact N-O 2.96Å; K244-I383 PolarHBondContact O-N 3.26Å; F246-I383 HydrophobicContact CB-CD1 3.69Å; F246-I383 HydrophobicContact CG-CD1 4.45Å; P270-I383 HydrophobicContact CG-CD1 3.85Å; F272-I383 HydrophobicContact CE2-CD1 4.04Å; F272-I383 HydrophobicContact CE2-CG2 4.04Å; F272-I383 HydrophobicContact CZ-CD1 3.96Å; F272-I383 HydrophobicContact CZ-CG2 4.07Å; H276-I383 HydrophobicContact CB-CG2 3.7Å; H277-I383 CarbonylContact O-C 3.57Å; H277-I383 VanDerWaalsContact O-CA 3.3Å; H277-I383 WeakPolarHBondContact O-CA 3.41Å; I278-I383 HydrophobicContact CG1-CG1 4.27Å; I349-I383 HydrophobicContact CD1-CD1 3.82Å; I349-I383 HydrophobicContact CD1-CG1 4.15Å; I349-I383 HydrophobicContact CD1-CG2 3.91Å; F381-I383 HydrophobicContact CB-CD1 4.28Å; F381-I383 HydrophobicContact CB-CG1 4.18Å |
| 384 | T | 95.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148.8 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | D242 H276 H277 V279 Q386 | D242-T384 WeakPolarHBondContact OD2-CB 3.41Å; D242-T384 PolarHBondContact OD2-OG1 3.24Å; H276-T384 CarbonylContact C-O 3.55Å; H276-T384 WeakPolarHBondContact CA-O 3.38Å; H276-T384 WeakPolarHBondContact CB-O 3.43Å; H277-T384 HydrophobicContact CB-CG2 4.13Å; H277-T384 PolarHBondContact N-O 2.91Å; H277-T384 PolarHBondContact O-N 2.76Å; V279-T384 HydrophobicContact CG1-CG2 3.68Å; T384-Q386 WeakPolarHBondContact CG2-O 3.37Å; T384-Q386 WeakPolarHBondContact OG1-CB 3.3Å; T384-Q386 PolarHBondContact OG1-N 3.14Å |
| 385 | N | 94.9 | Very high | 96.2 | Very high | 87 Ų | 87 | 37.8 Ų | 37.8 | 47% | 0.465 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -91.3 | -7 | 166.8 | 68.2 | -15.5 | 0 | 0 | 0 | 112.9 | H276 L387 | H276-N385 WeakPolarHBondContact NE2-CB 3.2Å; N385-L387 PolarHBondContact O-N 2.78Å |
| 386 | Q | 95.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 38.2 Ų | 38.2 | 58% | 0.579 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -83.3 | 91.1 | 170.9 | -59.6 | -169.6 | 21.2 | 0 | 0 | 108.4 | D242 T384 R388 | D242-Q386 HydrophobicContact CB-CG 4.11Å; T384-Q386 WeakPolarHBondContact CG2-O 3.37Å; T384-Q386 WeakPolarHBondContact OG1-CB 3.3Å; T384-Q386 PolarHBondContact OG1-N 3.14Å; Q386-R388 PolarHBondContact O-N 3Å |
| 387 | L | 96 | Very high | 96.3 | Very high | 92 Ų | 92 | 37 Ų | 37 | 48% | 0.482 | 17% | 0.17 | S | C | . | . | trans | -58.2 | 128 | -177.3 | -55.9 | -178.8 | 0 | 0 | 0 | 110.8 | P275 N385 | P275-L387 HydrophobicContact CB-CD1 4.14Å; P275-L387 HydrophobicContact CB-CD2 4.2Å; N385-L387 PolarHBondContact O-N 2.78Å | ||
| 388 | R | 96.2 | Very high | 96.3 | Very high | 52 Ų | 52 | 37 Ų | 37 | 20% | 0.196 | 17% | 0.171 | C | C | . | . | trans | -68.7 | 167.5 | 169.3 | -67.8 | 179.2 | 169.7 | -179.2 | -2.9 | 109.8 | H277 V279 F341 P342 E343 A345 Q386 Y390 | H277-R388 PolarHBondContact ND1-N 2.99Å; V279-R388 VanDerWaalsContact CG1-CZ 3.49Å; F341-R388 VanDerWaalsContact C-NH1 3.35Å; F341-R388 PolarHBondContact O-NH1 2.88Å; P342-R388 VanDerWaalsContact C-NH1 3.35Å; P342-R388 PolarHBondContact O-NH1 2.56Å; E343-R388 WeakPolarHBondContact O-CD 3.3Å; E343-R388 WeakPolarHBondContact O-CG 3.39Å; E343-R388 PolarHBondContact O-NE 2.91Å; A345-R388 WeakPolarHBondContact O-CD 3.47Å; A345-R388 PolarHBondContact O-NH1 2.86Å; Q386-R388 PolarHBondContact O-N 3Å; R388-Y390 PolarHBondContact O-N 3.21Å | ||
| 389 | K | 97.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 37.4 Ų | 37.4 | 67% | 0.67 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -59.4 | -34.7 | -173.4 | -174.1 | 179.8 | -179 | -164.1 | 0 | 113.3 | E344 | E344-K389 WeakPolarHBondContact O-CB 3.47Å; E344-K389 PolarHBondContact O-N 2.81Å; E344-K389 VanDerWaalsContact O-N 3.09Å |
| 390 | Y | 98.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 38.5 Ų | 38.5 | 30% | 0.298 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 147.2 | -175.2 | -57.6 | -60.6 | 0 | 0 | 0 | 112.1 | E344 A345 G346 R388 Y526 P527 | E344-Y390 HydrophobicContact CB-CD2 3.99Å; E344-Y390 HydrophobicContact CB-CE2 4.4Å; E344-Y390 PolarHBondContact O-N 3.3Å; A345-Y390 WeakPolarHBondContact CA-O 3.44Å; G346-Y390 PolarHBondContact N-O 3.19Å; G346-Y390 VanDerWaalsContact N-O 3.11Å; R388-Y390 PolarHBondContact O-N 3.21Å; Y390-Y526 AromaticContact CD2-CD2 3.55Å; Y390-Y526 HydrophobicContact CD2-CD2 3.55Å; Y390-Y526 AromaticContact CD2-CE2 3.95Å; Y390-Y526 HydrophobicContact CD2-CE2 3.95Å; Y390-Y526 HydrophobicContact CE2-CD2 4.18Å; Y390-Y526 HydrophobicContact CE2-CE2 4.27Å; Y390-Y526 HydrophobicContact CG-CD2 4.15Å; Y390-P527 HydrophobicContact CD1-CB 3.75Å; Y390-P527 HydrophobicContact CE1-CB 4.3Å; Y390-P527 HydrophobicContact CG-CB 4.2Å |
| 391 | D | 97.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 37 Ų | 37 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.1 | 164.3 | -69 | 3 | 0 | 0 | 0 | 109 | H277 G346 P348 K528 | H277-D391 IonicContact CE1-OD1 2.85Å; H277-D391 IonicContact NE2-OD1 3.68Å; H277-D391 PolarHBondContact NE2-OD1 2.83Å; G346-D391 CarbonylContact O-C 3.56Å; G346-D391 WeakPolarHBondContact O-CA 3.46Å; P348-D391 HydrophobicContact CB-CB 4.5Å; P348-D391 HydrophobicContact CG-CB 4.03Å; D391-K528 HydrophobicContact CB-CB 3.77Å; D391-K528 HydrophobicContact CB-CD 4.23Å; D391-K528 WeakPolarHBondContact O-CB 3.1Å; D391-K528 PolarHBondContact O-N 2.77Å |
| 392 | V | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -78.9 | 133.9 | 166.5 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | F341 A345 G346 Y347 F438 F524 Y525 | F341-V392 HydrophobicContact CD2-CB 4.29Å; F341-V392 HydrophobicContact CD2-CG1 4.49Å; F341-V392 HydrophobicContact CD2-CG2 3.67Å; F341-V392 HydrophobicContact CE2-CB 4.16Å; F341-V392 HydrophobicContact CE2-CG1 4.03Å; F341-V392 HydrophobicContact CE2-CG2 4.03Å; A345-V392 HydrophobicContact CB-CG2 3.6Å; G346-V392 PolarHBondContact O-N 2.8Å; Y347-V392 HydrophobicContact CD2-CB 4.48Å; Y347-V392 HydrophobicContact CD2-CG1 4.38Å; V392-F438 HydrophobicContact CB-CZ 4.48Å; V392-F438 HydrophobicContact CG1-CE1 3.97Å; V392-F438 HydrophobicContact CG1-CZ 3.82Å; V392-F438 HydrophobicContact CG2-CE1 3.76Å; V392-F438 HydrophobicContact CG2-CZ 3.76Å; V392-F524 HydrophobicContact CG1-CD1 4.39Å; V392-Y525 WeakPolarHBondContact CA-O 3.35Å | ||
| 393 | G | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 155.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y525 | G393-Y525 VanDerWaalsContact C-CE1 3.43Å; G393-Y525 PolarHBondContact N-O 2.96Å; G393-Y525 VanDerWaalsContact O-CD1 3.28Å; G393-Y525 WeakPolarHBondContact O-CD1 3.15Å; G393-Y525 PolarHBondContact O-N 3.36Å |
| 394 | I | 95.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.5 | 169.2 | -60.3 | 162.2 | 0 | 0 | 0 | 106.5 | E327 V328 I329 Y347 Y522 I523 F524 | E327-I394 HydrophobicContact CG-CD1 3.74Å; V328-I394 VanDerWaalsContact O-CD1 3.27Å; V328-I394 WeakPolarHBondContact O-CD1 3.36Å; I329-I394 HydrophobicContact CG2-CD1 4.34Å; Y347-I394 HydrophobicContact CD2-CD1 4.38Å; Y347-I394 HydrophobicContact CE2-CD1 3.68Å; Y347-I394 HydrophobicContact CE2-CG1 4.32Å; I394-Y522 HydrophobicContact CG2-CD1 4.22Å; I394-I523 WeakPolarHBondContact CA-O 3.38Å; I394-F524 HydrophobicContact CD1-CD1 4.43Å; I394-F524 HydrophobicContact CD1-CE1 3.84Å; I394-F524 HydrophobicContact CD1-CZ 4.28Å; I394-F524 HydrophobicContact CG1-CD1 3.89Å; I394-F524 HydrophobicContact CG1-CE1 3.75Å; I394-F524 HydrophobicContact CG1-CZ 4.25Å |
| 395 | M | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.8 | 176.8 | 177.3 | -172.2 | -49.8 | 0 | 0 | 109.7 | L397 I435 Y522 I523 Y525 I529 L531 E532 C534 | M395-L397 HydrophobicContact CG-CD2 4.14Å; M395-L397 HydrophobicContact SD-CD2 3.86Å; M395-I435 HydrophobicContact CE-CD1 4.16Å; M395-Y522 WeakPolarHBondContact O-CA 3.41Å; M395-I523 HydrophobicContact CB-CD1 4.17Å; M395-I523 HydrophobicContact CB-CG1 3.76Å; M395-I523 HydrophobicContact CG-CG1 4.44Å; M395-I523 PolarHBondContact N-O 2.78Å; M395-I523 WeakPolarHBondContact O-CG1 3.36Å; M395-I523 PolarHBondContact O-N 2.99Å; M395-I523 HydrophobicContact SD-CD1 4.1Å; M395-Y525 HydrophobicContact CB-CD1 4.11Å; M395-Y525 HydrophobicContact CB-CE1 3.57Å; M395-Y525 HydrophobicContact CE-CE1 3.99Å; M395-I529 HydrophobicContact CE-CD1 4.02Å; M395-I529 HydrophobicContact CE-CG1 4.47Å; M395-L531 HydrophobicContact CE-CB 4.16Å; M395-L531 HydrophobicContact CE-CD2 3.64Å; M395-L531 HydrophobicContact CE-CG 3.82Å; M395-L531 HydrophobicContact SD-CD2 3.85Å; M395-L531 HydrophobicContact SD-CG 4.14Å; M395-E532 CarbonylContact C-O 3.6Å; M395-E532 WeakPolarHBondContact CA-O 3.33Å; M395-E532 WeakPolarHBondContact CG-O 3.14Å; M395-C534 HydrophobicContact CG-CB 4.35Å; M395-C534 HydrophobicContact SD-CB 3.92Å |
| 396 | E | 95.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.5 | 176.4 | -54.4 | -171.4 | -171.1 | 0 | 0 | 110.2 | Y401 Y522 E532 L533 C534 K535 | E396-Y401 PolarHBondContact OE2-OH 2.61Å; E396-Y522 HydrophobicContact CG-CD1 3.73Å; E396-Y522 HydrophobicContact CG-CE1 3.54Å; E396-E532 PolarHBondContact N-O 3.36Å; E396-L533 HydrophobicContact CB-CD2 4.26Å; E396-L533 WeakPolarHBondContact OE2-CD2 3.31Å; E396-C534 PolarHBondContact O-N 3.37Å; E396-K535 VanDerWaalsContact OE2-CE 3.26Å; E396-K535 WeakPolarHBondContact OE2-CE 3.37Å; E396-K535 IonicContact OE2-NZ 2.79Å; E396-K535 PolarHBondContact OE2-NZ 3.06Å |
| 397 | L | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 154 | 171 | -52.2 | 179.2 | 0 | 0 | 0 | 110.4 | M395 C420 T453 L493 L520 N521 I523 C534 | M395-L397 HydrophobicContact CG-CD2 4.14Å; M395-L397 HydrophobicContact SD-CD2 3.86Å; L397-C420 HydrophobicContact CD2-CB 4.02Å; L397-T453 HydrophobicContact CD1-CG2 3.99Å; L397-L493 HydrophobicContact CD1-CB 4.2Å; L397-L493 HydrophobicContact CD1-CD1 3.66Å; L397-L493 HydrophobicContact CD2-CD1 4.04Å; L397-L520 WeakPolarHBondContact O-CA 3.29Å; L397-N521 HydrophobicContact CB-CB 4.33Å; L397-N521 WeakPolarHBondContact CB-O 3.49Å; L397-N521 PolarHBondContact N-O 2.92Å; L397-N521 PolarHBondContact O-N 2.55Å; L397-I523 HydrophobicContact CD1-CD1 4.13Å; L397-I523 HydrophobicContact CD1-CG1 4.39Å; L397-I523 HydrophobicContact CD1-CG2 3.72Å; L397-I523 HydrophobicContact CD2-CD1 4.45Å; L397-I523 HydrophobicContact CG-CD1 4.39Å; L397-I523 HydrophobicContact CG-CG1 4.41Å; L397-I523 HydrophobicContact CG-CG2 4.35Å; L397-C534 HydrophobicContact CD2-CB 4.01Å |
| 398 | G | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.9 | -140.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G418 C519 K535 S536 | G398-G418 WeakPolarHBondContact O-CA 3.39Å; G398-C519 WeakPolarHBondContact CA-O 3.38Å; G398-K535 WeakPolarHBondContact O-CA 3.26Å; G398-K535 VanDerWaalsContact O-CB 3.27Å; G398-K535 WeakPolarHBondContact O-CB 3.43Å; G398-S536 PolarHBondContact O-N 2.93Å |
| 399 | L | 97.4 | Very high | 96 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 143.8 | -173.3 | -68.9 | 171.7 | 0 | 0 | 0 | 112.3 | N405 L416 S417 C519 S536 | L399-N405 HydrophobicContact CD1-CB 4.3Å; L399-L416 HydrophobicContact CD1-CB 3.56Å; L399-L416 HydrophobicContact CD1-CD1 4.22Å; L399-L416 HydrophobicContact CD1-CG 4.49Å; L399-S417 WeakPolarHBondContact CD2-O 3.39Å; L399-C519 HydrophobicContact CB-CB 4.11Å; L399-C519 HydrophobicContact CD1-CB 3.65Å; L399-C519 HydrophobicContact CG-CB 3.95Å; L399-C519 PolarHBondContact N-O 2.91Å; L399-S536 WeakPolarHBondContact CA-O 3.05Å; L399-S536 WeakPolarHBondContact CD2-O 3.07Å |
| 400 | V | 94.8 | Very high | 95.9 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 15% | 0.145 | 12% | 0.116 | C | C | . | . | trans | -71.2 | 147 | 169.6 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | T402 K535 S536 D537 H591 | V400-T402 VanDerWaalsContact C-N 3.26Å; V400-T402 HydrophobicContact CB-CG2 4Å; V400-T402 HydrophobicContact CG1-CG2 3.59Å; V400-T402 PolarHBondContact O-N 3.38Å; V400-K535 HydrophobicContact CG2-CB 3.82Å; V400-S536 PolarHBondContact N-O 3.49Å; V400-S536 VanDerWaalsContact N-O 3.09Å; V400-D537 HydrophobicContact CB-CB 4.12Å; V400-D537 HydrophobicContact CG2-CB 4.19Å; V400-H591 HydrophobicContact CG2-CB 3.84Å; V400-H591 VanDerWaalsContact CG2-CG 3.45Å | ||
| 401 | Y | 91.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 15% | 0.153 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -75.2 | 70.6 | -178.3 | -43 | -44 | 0 | 0 | 0 | 111.9 | E396 I512 M518 L520 K535 | E396-Y401 PolarHBondContact OE2-OH 2.61Å; Y401-I512 HydrophobicContact CD2-CG1 4.25Å; Y401-I512 HydrophobicContact CG-CG1 4.32Å; Y401-M518 HydrophobicContact CD1-CE 4.01Å; Y401-M518 HydrophobicContact CD1-CG 4.06Å; Y401-M518 HydrophobicContact CD1-SD 3.98Å; Y401-M518 HydrophobicContact CE1-CE 4.01Å; Y401-M518 HydrophobicContact CE1-CG 4.11Å; Y401-M518 HydrophobicContact CE1-SD 3.59Å; Y401-M518 VanDerWaalsContact CE1-SD 3.59Å; Y401-M518 HydrophobicContact CG-CE 4.4Å; Y401-L520 HydrophobicContact CE1-CD1 3.79Å; Y401-L520 HydrophobicContact CE1-CD2 3.8Å; Y401-L520 HydrophobicContact CE1-CG 4.13Å; Y401-L520 VanDerWaalsContact OH-CD1 3.22Å; Y401-L520 WeakPolarHBondContact OH-CD1 3.39Å; Y401-K535 PolarHBondContact OH-NZ 3.14Å |
| 402 | T | 93.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 21.9 Ų | 21.9 | 15% | 0.147 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -131 | 155.1 | -178.2 | 83.7 | 0 | 0 | 0 | 0 | 111.3 | V400 N404 G510 D537 | V400-T402 VanDerWaalsContact C-N 3.26Å; V400-T402 HydrophobicContact CB-CG2 4Å; V400-T402 HydrophobicContact CG1-CG2 3.59Å; V400-T402 PolarHBondContact O-N 3.38Å; T402-N404 PolarHBondContact O-N 2.96Å; T402-N404 VanDerWaalsContact O-N 3.15Å; T402-N404 WeakPolarHBondContact OG1-CB 3.35Å; T402-N404 PolarHBondContact OG1-N 3.28Å; T402-N404 VanDerWaalsContact OG1-N 3.11Å; T402-N404 PolarHBondContact OG1-ND2 3.26Å; T402-G510 CarbonylContact C-O 3.58Å; T402-G510 CarbonylContact O-C 3.44Å; T402-G510 VanDerWaalsContact O-CA 3.23Å; T402-G510 WeakPolarHBondContact O-CA 3.03Å; T402-G510 VanDerWaalsContact O-O 3.06Å; T402-D537 WeakPolarHBondContact CB-OD2 3.44Å; T402-D537 VanDerWaalsContact CG2-OD2 3.27Å; T402-D537 WeakPolarHBondContact CG2-OD2 3.39Å; T402-D537 VanDerWaalsContact OG1-CG 3.27Å; T402-D537 PolarHBondContact OG1-OD2 2.82Å |
| 403 | P | 93.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 25% | 0.247 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -0.8 | 171.7 | 29.4 | -36.1 | 0 | 0 | 0 | 114.3 | N405 F509 L562 M563 | P403-N405 VanDerWaalsContact C-N 3.27Å; P403-F509 HydrophobicContact CB-CB 4.28Å; P403-F509 HydrophobicContact CB-CD1 3.76Å; P403-F509 HydrophobicContact CB-CG 4.29Å; P403-L562 HydrophobicContact CB-CD2 4.18Å; P403-L562 HydrophobicContact CG-CD2 4.11Å; P403-M563 HydrophobicContact CB-CE 3.58Å; P403-M563 HydrophobicContact CB-CG 3.99Å; P403-M563 HydrophobicContact CG-CE 3.95Å |
| 404 | N | 94.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.9 | 179.5 | -52.5 | -20.3 | 0 | 0 | 0 | 111.2 | T402 D537 I538 L543 L562 Y583 | T402-N404 PolarHBondContact O-N 2.96Å; T402-N404 VanDerWaalsContact O-N 3.15Å; T402-N404 WeakPolarHBondContact OG1-CB 3.35Å; T402-N404 PolarHBondContact OG1-N 3.28Å; T402-N404 VanDerWaalsContact OG1-N 3.11Å; T402-N404 PolarHBondContact OG1-ND2 3.26Å; N404-D537 WeakPolarHBondContact CB-OD1 3.4Å; N404-D537 WeakPolarHBondContact CB-OD2 3.36Å; N404-D537 PolarHBondContact ND2-OD2 2.91Å; N404-I538 HydrophobicContact CB-CG2 3.6Å; N404-I538 WeakPolarHBondContact O-CG2 3.26Å; N404-L543 HydrophobicContact CB-CD2 3.82Å; N404-L562 HydrophobicContact CB-CD2 4.49Å; N404-L562 WeakPolarHBondContact OD1-CD2 3.23Å; N404-Y583 PolarHBondContact O-OH 3.5Å |
| 405 | N | 93.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -92.2 | 119 | 166.1 | -57 | -60.7 | 0 | 0 | 0 | 108.4 | L399 P403 L416 G510 D537 Y583 | L399-N405 HydrophobicContact CD1-CB 4.3Å; P403-N405 VanDerWaalsContact C-N 3.27Å; N405-L416 HydrophobicContact CB-CD1 4.12Å; N405-G510 PolarHBondContact O-N 2.81Å; N405-D537 PolarHBondContact ND2-OD1 2.97Å; N405-D537 PolarHBondContact OD1-OD1 3.27Å; N405-Y583 WeakPolarHBondContact CA-OH 3.09Å |
| 406 | F | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.3 | 177.3 | 61.3 | -94.5 | 0 | 0 | 0 | 111.2 | I507 T508 F509 L543 L547 V566 W571 L579 Y583 | F406-I507 HydrophobicContact CB-CG2 3.8Å; F406-I507 HydrophobicContact CD2-CG2 3.95Å; F406-I507 HydrophobicContact CG-CG2 4.17Å; F406-T508 CarbonylContact C-O 3.58Å; F406-T508 VanDerWaalsContact CA-O 3.32Å; F406-T508 WeakPolarHBondContact CA-O 3.29Å; F406-F509 HydrophobicContact CB-CD1 3.72Å; F406-F509 HydrophobicContact CB-CE1 4.11Å; F406-F509 HydrophobicContact CB-CG 4.4Å; F406-F509 HydrophobicContact CG-CD1 4.4Å; F406-F509 HydrophobicContact CG-CE1 4.36Å; F406-L543 HydrophobicContact CE1-CD1 4.09Å; F406-L547 HydrophobicContact CZ-CD2 4.31Å; F406-V566 HydrophobicContact CD1-CG1 4.26Å; F406-V566 HydrophobicContact CD1-CG2 4.12Å; F406-V566 HydrophobicContact CD2-CG1 3.72Å; F406-V566 HydrophobicContact CE1-CG1 4.2Å; F406-V566 HydrophobicContact CE1-CG2 3.62Å; F406-V566 HydrophobicContact CE2-CG1 3.65Å; F406-V566 HydrophobicContact CE2-CG2 4.39Å; F406-V566 HydrophobicContact CG-CG1 4.04Å; F406-V566 HydrophobicContact CZ-CG1 3.91Å; F406-V566 HydrophobicContact CZ-CG2 3.78Å; F406-W571 AromaticContact CE2-CH2 3.62Å; F406-W571 HydrophobicContact CE2-CH2 3.62Å; F406-W571 AromaticContact CE2-CZ2 3.49Å; F406-W571 HydrophobicContact CE2-CZ2 3.49Å; F406-W571 VanDerWaalsContact CE2-CZ2 3.49Å; F406-W571 AromaticContact CZ-CH2 3.96Å; F406-W571 HydrophobicContact CZ-CH2 3.96Å; F406-W571 AromaticContact CZ-CZ2 3.97Å; F406-W571 HydrophobicContact CZ-CZ2 3.97Å; F406-L579 HydrophobicContact CD2-CD2 4.09Å; F406-L579 HydrophobicContact CE2-CD1 3.98Å; F406-L579 HydrophobicContact CE2-CD2 3.49Å; F406-L579 VanDerWaalsContact CE2-CD2 3.49Å; F406-L579 HydrophobicContact CE2-CG 4.41Å; F406-L579 HydrophobicContact CZ-CD1 3.73Å; F406-L579 HydrophobicContact CZ-CD2 4.14Å; F406-Y583 VanDerWaalsContact CD1-OH 3.25Å; F406-Y583 WeakPolarHBondContact CD1-OH 3.15Å; F406-Y583 WeakPolarHBondContact CE1-OH 3.5Å; F406-Y583 PolarHBondContact N-OH 2.97Å |
| 407 | I | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120 | -176.5 | -50.3 | 152 | 0 | 0 | 0 | 107.2 | F414 L416 Y499 T501 T508 E517 | I407-F414 HydrophobicContact CB-CD1 4.4Å; I407-F414 HydrophobicContact CG1-CD1 4.21Å; I407-F414 HydrophobicContact CG2-CB 3.8Å; I407-F414 HydrophobicContact CG2-CD1 3.84Å; I407-F414 HydrophobicContact CG2-CG 3.84Å; I407-L416 HydrophobicContact CD1-CD1 4.39Å; I407-L416 HydrophobicContact CG1-CD1 3.82Å; I407-Y499 HydrophobicContact CD1-CD1 3.76Å; I407-Y499 HydrophobicContact CD1-CD2 3.43Å; I407-Y499 VanDerWaalsContact CD1-CD2 3.43Å; I407-Y499 HydrophobicContact CD1-CE1 4.17Å; I407-Y499 HydrophobicContact CD1-CE2 3.87Å; I407-Y499 HydrophobicContact CD1-CG 3.36Å; I407-Y499 HydrophobicContact CG1-CD2 3.98Å; I407-Y499 HydrophobicContact CG1-CE2 4.44Å; I407-Y499 HydrophobicContact CG1-CG 4.29Å; I407-T501 HydrophobicContact CB-CG2 4.08Å; I407-T501 HydrophobicContact CG2-CG2 3.51Å; I407-T508 HydrophobicContact CD1-CG2 4.5Å; I407-T508 PolarHBondContact N-O 3.36Å; I407-T508 PolarHBondContact O-N 2.99Å; I407-E517 HydrophobicContact CD1-CB 4.1Å; I407-E517 HydrophobicContact CD1-CG 3.88Å |
| 408 | P | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -54.8 | 152.9 | 170.9 | -26.8 | 36.5 | 0 | 0 | 0 | 111.8 | Q411 F414 T501 I507 W571 V576 L579 | P408-Q411 HydrophobicContact CB-CG 4.05Å; P408-Q411 WeakPolarHBondContact O-CG 3.35Å; P408-F414 HydrophobicContact CG-CE2 4.24Å; P408-T501 PolarHBondContact O-OG1 2.96Å; P408-I507 HydrophobicContact CB-CD1 4.37Å; P408-W571 HydrophobicContact CB-CB 4.43Å; P408-W571 HydrophobicContact CB-CD2 4.36Å; P408-W571 HydrophobicContact CB-CE3 4.47Å; P408-W571 HydrophobicContact CB-CG 4.35Å; P408-W571 HydrophobicContact CG-CD2 4.21Å; P408-W571 HydrophobicContact CG-CE3 3.99Å; P408-W571 HydrophobicContact CG-CZ3 4.41Å; P408-V576 HydrophobicContact CB-CG2 3.89Å; P408-V576 HydrophobicContact CG-CG2 4.02Å; P408-L579 HydrophobicContact CG-CD2 3.55Å | ||
| 409 | F | 96 | Very high | 95.7 | Very high | 67 Ų | 67 | 29 Ų | 29 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 163.3 | 172.5 | 59.2 | -75.9 | 0 | 0 | 0 | 110.9 | Q411 K504 Q506 I507 W571 | F409-Q411 VanDerWaalsContact C-N 3.33Å; F409-Q411 PolarHBondContact O-N 3.41Å; F409-Q411 PolarHBondContact O-NE2 2.96Å; F409-K504 HydrophobicContact CB-CB 4.44Å; F409-Q506 WeakPolarHBondContact CB-O 3.48Å; F409-I507 HydrophobicContact CD1-CD1 3.91Å; F409-I507 HydrophobicContact CE1-CD1 4.37Å; F409-W571 HydrophobicContact CE1-CB 4.25Å |
| 410 | K | 96.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 28.8 Ų | 28.8 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 28.3 | -179.8 | -53.7 | -51.3 | 178.8 | -168.6 | 0 | 115.7 | T501 S502 K504 N505 | K410-T501 WeakPolarHBondContact CA-O 3.26Å; K410-T501 PolarHBondContact N-O 3.44Å; K410-S502 WeakPolarHBondContact CD-O 3.07Å; K410-S502 PolarHBondContact NZ-O 2.7Å; K410-S502 VanDerWaalsContact NZ-O 3.11Å; K410-K504 WeakPolarHBondContact CD-O 3.12Å; K410-K504 WeakPolarHBondContact CE-O 3.36Å; K410-K504 PolarHBondContact NZ-O 3.5Å; K410-N505 WeakPolarHBondContact CE-OD1 3.04Å; K410-N505 PolarHBondContact NZ-OD1 3.3Å |
| 411 | Q | 96.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | trans | -102.5 | 119.4 | 177.2 | -52.9 | -51.6 | -53.8 | 0 | 0 | 110.3 | P408 F409 N413 F414 D500 T501 S502 | P408-Q411 HydrophobicContact CB-CG 4.05Å; P408-Q411 WeakPolarHBondContact O-CG 3.35Å; F409-Q411 VanDerWaalsContact C-N 3.33Å; F409-Q411 PolarHBondContact O-N 3.41Å; F409-Q411 PolarHBondContact O-NE2 2.96Å; Q411-N413 VanDerWaalsContact C-N 3.33Å; Q411-F414 HydrophobicContact CB-CB 3.98Å; Q411-F414 HydrophobicContact CG-CB 4.45Å; Q411-F414 HydrophobicContact CG-CD2 4.3Å; Q411-D500 CarbonylContact O-C 3.33Å; Q411-D500 WeakPolarHBondContact O-CA 3.2Å; Q411-T501 WeakPolarHBondContact CB-OG1 2.99Å; Q411-T501 PolarHBondContact N-OG1 2.64Å; Q411-T501 CarbonylContact O-C 3.52Å; Q411-T501 PolarHBondContact O-N 2.85Å; Q411-T501 PolarHBondContact O-OG1 2.95Å; Q411-S502 PolarHBondContact O-N 2.89Å | ||
| 412 | S | 94.3 | Very high | 96 | Very high | 87 Ų | 87 | 27.8 Ų | 27.8 | 61% | 0.608 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -77.7 | -22 | 173 | 53.6 | 0 | 0 | 0 | 0 | 113 | ||
| 413 | N | 94.1 | Very high | 96.1 | Very high | 88 Ų | 88 | 28.2 Ų | 28.2 | 47% | 0.471 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -150.7 | 105.2 | 178.7 | -171.2 | -37.6 | 0 | 0 | 0 | 109.6 | Q411 T498 | Q411-N413 VanDerWaalsContact C-N 3.33Å; N413-T498 VanDerWaalsContact OD1-CG2 3.24Å; N413-T498 WeakPolarHBondContact OD1-CG2 3.31Å |
| 414 | F | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 125.8 | 172.8 | -167 | -80.7 | 0 | 0 | 0 | 108.9 | I407 P408 Q411 L416 T498 Y499 V576 L579 K580 Y583 | I407-F414 HydrophobicContact CB-CD1 4.4Å; I407-F414 HydrophobicContact CG1-CD1 4.21Å; I407-F414 HydrophobicContact CG2-CB 3.8Å; I407-F414 HydrophobicContact CG2-CD1 3.84Å; I407-F414 HydrophobicContact CG2-CG 3.84Å; P408-F414 HydrophobicContact CG-CE2 4.24Å; Q411-F414 HydrophobicContact CB-CB 3.98Å; Q411-F414 HydrophobicContact CG-CB 4.45Å; Q411-F414 HydrophobicContact CG-CD2 4.3Å; F414-L416 HydrophobicContact CD1-CD2 4.48Å; F414-L416 HydrophobicContact CD1-CG 4.29Å; F414-L416 HydrophobicContact CE1-CD2 3.73Å; F414-L416 HydrophobicContact CE1-CG 4Å; F414-T498 WeakPolarHBondContact O-CA 3.37Å; F414-Y499 PolarHBondContact N-O 2.94Å; F414-Y499 VanDerWaalsContact N-O 3.1Å; F414-Y499 WeakPolarHBondContact O-CD2 3.48Å; F414-Y499 PolarHBondContact O-N 3.05Å; F414-V576 HydrophobicContact CD2-CG1 4.29Å; F414-V576 HydrophobicContact CE2-CG1 4.2Å; F414-L579 HydrophobicContact CE2-CD2 4.14Å; F414-L579 HydrophobicContact CZ-CD2 3.78Å; F414-L579 HydrophobicContact CZ-CG 4.1Å; F414-K580 HydrophobicContact CD2-CD 4.46Å; F414-K580 HydrophobicContact CD2-CG 3.98Å; F414-K580 HydrophobicContact CE2-CD 4.45Å; F414-K580 HydrophobicContact CE2-CG 3.55Å; F414-K580 HydrophobicContact CZ-CG 4.17Å; F414-Y583 HydrophobicContact CE1-CD2 4.19Å; F414-Y583 HydrophobicContact CE1-CE2 4.25Å; F414-Y583 AromaticContact CZ-CD2 3.98Å; F414-Y583 HydrophobicContact CZ-CD2 3.98Å; F414-Y583 HydrophobicContact CZ-CE2 4.09Å |
| 415 | F | 95.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 25.4 Ų | 25.4 | 20% | 0.197 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.5 | 179.6 | 65.8 | -98.7 | 0 | 0 | 0 | 112.1 | R496 C497 | F415-R496 HydrophobicContact CB-CG 4.01Å; F415-R496 HydrophobicContact CD2-CG 4.37Å; F415-R496 HydrophobicContact CG-CG 4.47Å; F415-C497 CarbonylContact C-O 3.58Å; F415-C497 WeakPolarHBondContact CA-O 3.34Å; F415-C497 WeakPolarHBondContact CB-O 3.38Å |
| 416 | L | 96.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 153.2 | 168.1 | -64 | 167.1 | 0 | 0 | 0 | 108.9 | L399 N405 I407 F414 R496 C497 Y499 Y583 | L399-L416 HydrophobicContact CD1-CB 3.56Å; L399-L416 HydrophobicContact CD1-CD1 4.22Å; L399-L416 HydrophobicContact CD1-CG 4.49Å; N405-L416 HydrophobicContact CB-CD1 4.12Å; I407-L416 HydrophobicContact CD1-CD1 4.39Å; I407-L416 HydrophobicContact CG1-CD1 3.82Å; F414-L416 HydrophobicContact CD1-CD2 4.48Å; F414-L416 HydrophobicContact CD1-CG 4.29Å; F414-L416 HydrophobicContact CE1-CD2 3.73Å; F414-L416 HydrophobicContact CE1-CG 4Å; L416-R496 WeakPolarHBondContact O-CA 3.49Å; L416-R496 WeakPolarHBondContact O-CG 3.5Å; L416-C497 PolarHBondContact N-O 2.8Å; L416-C497 PolarHBondContact O-N 3.1Å; L416-Y499 HydrophobicContact CB-CE2 4.1Å; L416-Y499 HydrophobicContact CD1-CD2 4.49Å; L416-Y499 HydrophobicContact CD1-CE2 3.87Å; L416-Y499 HydrophobicContact CG-CE2 4.14Å; L416-Y583 HydrophobicContact CD2-CD1 4.24Å; L416-Y583 HydrophobicContact CD2-CD2 3.57Å; L416-Y583 HydrophobicContact CD2-CE1 4.3Å; L416-Y583 HydrophobicContact CD2-CE2 3.62Å; L416-Y583 HydrophobicContact CD2-CG 3.9Å |
| 417 | S | 96.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 128.6 | -176.8 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | L399 Y419 T495 R496 | L399-S417 WeakPolarHBondContact CD2-O 3.39Å; S417-Y419 VanDerWaalsContact O-CE2 3.28Å; S417-Y419 WeakPolarHBondContact O-CE2 3.49Å; S417-T495 CarbonylContact C-O 3.45Å; S417-T495 WeakPolarHBondContact CA-O 3.4Å; S417-R496 WeakPolarHBondContact OG-CB 3.47Å; S417-R496 WeakPolarHBondContact OG-CG 3.45Å; S417-R496 PolarHBondContact OG-NE 3.28Å; S417-R496 VanDerWaalsContact OG-NE 3.11Å |
| 418 | G | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 150.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G398 I494 T495 S536 | G398-G418 WeakPolarHBondContact O-CA 3.39Å; G418-I494 CarbonylContact O-C 3.57Å; G418-I494 WeakPolarHBondContact O-CA 3.18Å; G418-T495 PolarHBondContact N-O 3.07Å; G418-T495 PolarHBondContact O-N 2.77Å; G418-S536 WeakPolarHBondContact CA-OG 3.41Å |
| 419 | Y | 97.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 139.9 | -168.7 | -57.4 | -99.2 | 0 | 0 | 0 | 110.8 | S417 I494 K535 S536 I588 M590 P609 | S417-Y419 VanDerWaalsContact O-CE2 3.28Å; S417-Y419 WeakPolarHBondContact O-CE2 3.49Å; Y419-I494 HydrophobicContact CD1-CB 4.34Å; Y419-I494 HydrophobicContact CD1-CD1 3.96Å; Y419-I494 HydrophobicContact CD1-CG1 3.74Å; Y419-I494 HydrophobicContact CD1-CG2 3.88Å; Y419-I494 HydrophobicContact CE1-CB 4.47Å; Y419-I494 HydrophobicContact CE1-CD1 3.81Å; Y419-I494 HydrophobicContact CE1-CG1 4.02Å; Y419-I494 HydrophobicContact CE1-CG2 3.68Å; Y419-K535 CarbonylContact O-C 3.59Å; Y419-S536 WeakPolarHBondContact CD2-OG 3.36Å; Y419-S536 PolarHBondContact N-OG 3.02Å; Y419-I588 HydrophobicContact CD1-CD1 4.48Å; Y419-I588 HydrophobicContact CD2-CD1 3.54Å; Y419-I588 HydrophobicContact CD2-CG2 4.23Å; Y419-I588 HydrophobicContact CE2-CD1 4.34Å; Y419-I588 HydrophobicContact CE2-CG2 4.22Å; Y419-I588 HydrophobicContact CG-CD1 3.66Å; Y419-M590 VanDerWaalsContact O-CE 3.23Å; Y419-M590 WeakPolarHBondContact O-CE 3.45Å; Y419-P609 HydrophobicContact CE1-CB 3.81Å; Y419-P609 HydrophobicContact CE2-CB 3.9Å; Y419-P609 VanDerWaalsContact CZ-CB 3.43Å; Y419-P609 WeakPolarHBondContact OH-CB 3.33Å |
| 420 | C | 98 | Very high | 96.6 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 97.2 | 157.9 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | L397 T425 T492 L493 C534 | L397-C420 HydrophobicContact CD2-CB 4.02Å; C420-T425 VanDerWaalsContact SG-CG2 3.58Å; C420-T492 WeakPolarHBondContact O-CA 3.37Å; C420-L493 HydrophobicContact CB-CB 4.04Å; C420-L493 PolarHBondContact N-O 3.18Å; C420-L493 PolarHBondContact O-N 2.97Å; C420-C534 WeakPolarHBondContact CA-SG 3.5Å; C420-C534 HydrophobicContact CB-CB 3.72Å; C420-C534 WeakPolarHBondContact CB-SG 3.08Å; C420-C534 WeakPolarHBondContact SG-CB 3.48Å; C420-C534 CovalentContact SG-SG 2.02Å; C420-C534 PolarHBondContact SG-SG 2.99Å |
| 421 | D | 96.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.053 | 18% | 0.184 | C | C | . | . | trans | -75.7 | 153.6 | -168.4 | 86.8 | -65.4 | 0 | 0 | 0 | 113.1 | Q423 C424 T425 M590 R607 | D421-Q423 PolarHBondContact O-N 3.09Å; D421-Q423 VanDerWaalsContact OD2-CB 3.28Å; D421-Q423 WeakPolarHBondContact OD2-CB 3.29Å; D421-Q423 PolarHBondContact OD2-N 2.95Å; D421-Q423 VanDerWaalsContact OD2-N 3.12Å; D421-C424 PolarHBondContact O-N 3.08Å; D421-C424 WeakPolarHBondContact OD1-CB 3Å; D421-C424 PolarHBondContact OD1-N 2.55Å; D421-T425 PolarHBondContact O-N 2.97Å; D421-T425 VanDerWaalsContact O-N 3.13Å; D421-M590 HydrophobicContact CB-CE 4.13Å; D421-M590 HydrophobicContact CB-CG 4.41Å; D421-M590 HydrophobicContact CB-SD 3.93Å; D421-M590 WeakPolarHBondContact OD1-CE 3.33Å; D421-R607 IonicContact OD2-CZ 3.32Å; D421-R607 IonicContact OD2-NE 3.78Å; D421-R607 PolarHBondContact OD2-NE 3.37Å; D421-R607 IonicContact OD2-NH1 2.79Å; D421-R607 PolarHBondContact OD2-NH1 3.29Å; D421-R607 IonicContact OD2-NH2 2.87Å; D421-R607 PolarHBondContact OD2-NH2 3.17Å | ||
| 422 | S | 96.2 | Very high | 96.6 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -47.3 | -29.9 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 115.7 | T425 D426 G490 D491 T492 | S422-T425 WeakPolarHBondContact CA-OG1 3.38Å; S422-T425 PolarHBondContact O-OG1 2.86Å; S422-T425 VanDerWaalsContact O-OG1 3.05Å; S422-D426 VanDerWaalsContact O-CB 3.24Å; S422-D426 WeakPolarHBondContact O-CB 3.3Å; S422-D426 PolarHBondContact O-N 3.01Å; S422-G490 WeakPolarHBondContact CB-O 3.43Å; S422-G490 WeakPolarHBondContact O-CA 3.46Å; S422-D491 WeakPolarHBondContact CA-O 3.36Å; S422-T492 PolarHBondContact N-OG1 2.66Å; S422-T492 VanDerWaalsContact N-OG1 3.08Å |
| 423 | Q | 95.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.4 | -37.6 | 177.9 | -170.4 | -133.4 | 5.5 | 0 | 0 | 112.6 | D421 T425 D426 I427 N602 K604 | D421-Q423 PolarHBondContact O-N 3.09Å; D421-Q423 VanDerWaalsContact OD2-CB 3.28Å; D421-Q423 WeakPolarHBondContact OD2-CB 3.29Å; D421-Q423 PolarHBondContact OD2-N 2.95Å; D421-Q423 VanDerWaalsContact OD2-N 3.12Å; Q423-T425 VanDerWaalsContact C-N 3.29Å; Q423-D426 PolarHBondContact O-N 2.81Å; Q423-I427 HydrophobicContact CG-CD1 3.82Å; Q423-I427 HydrophobicContact CG-CG1 4.49Å; Q423-I427 WeakPolarHBondContact O-CG1 3.24Å; Q423-I427 PolarHBondContact O-N 2.91Å; Q423-I427 VanDerWaalsContact O-N 3.17Å; Q423-N602 PolarHBondContact NE2-O 3.4Å; Q423-K604 VanDerWaalsContact OE1-CG 3.28Å |
| 424 | C | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | D421 I427 T428 C534 C592 | D421-C424 PolarHBondContact O-N 3.08Å; D421-C424 WeakPolarHBondContact OD1-CB 3Å; D421-C424 PolarHBondContact OD1-N 2.55Å; C424-I427 PolarHBondContact O-N 2.78Å; C424-T428 WeakPolarHBondContact O-CB 3.37Å; C424-T428 VanDerWaalsContact O-CG2 3.29Å; C424-T428 WeakPolarHBondContact O-CG2 3.44Å; C424-T428 PolarHBondContact O-N 2.82Å; C424-T428 VanDerWaalsContact O-N 3.1Å; C424-T428 PolarHBondContact O-OG1 2.8Å; C424-C534 PolarHBondContact SG-SG 3.04Å; C424-C592 HydrophobicContact CB-CB 3.83Å; C424-C592 WeakPolarHBondContact CB-SG 3.47Å; C424-C592 WeakPolarHBondContact SG-CB 2.98Å; C424-C592 CovalentContact SG-SG 2.04Å; C424-C592 PolarHBondContact SG-SG 3.26Å |
| 425 | T | 97.5 | Very high | 97 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | C420 D421 S422 Q423 I427 T428 L429 G490 D491 | C420-T425 VanDerWaalsContact SG-CG2 3.58Å; D421-T425 PolarHBondContact O-N 2.97Å; D421-T425 VanDerWaalsContact O-N 3.13Å; S422-T425 WeakPolarHBondContact CA-OG1 3.38Å; S422-T425 PolarHBondContact O-OG1 2.86Å; S422-T425 VanDerWaalsContact O-OG1 3.05Å; Q423-T425 VanDerWaalsContact C-N 3.29Å; T425-I427 VanDerWaalsContact C-N 3.3Å; T425-I427 PolarHBondContact O-N 3.11Å; T425-T428 PolarHBondContact O-N 3Å; T425-L429 HydrophobicContact CG2-CD1 4.31Å; T425-L429 VanDerWaalsContact O-CB 3.23Å; T425-L429 WeakPolarHBondContact O-CB 3.18Å; T425-L429 VanDerWaalsContact O-CG 3.25Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.4Å; T425-G490 PolarHBondContact OG1-N 2.94Å; T425-D491 WeakPolarHBondContact CB-O 3.17Å; T425-D491 WeakPolarHBondContact CG2-O 3.36Å; T425-D491 PolarHBondContact OG1-N 3.18Å; T425-D491 PolarHBondContact OG1-O 3.15Å |
| 426 | D | 97.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -35.5 | 178.1 | 179.8 | 53.9 | 0 | 0 | 0 | 113.4 | S422 Q423 K431 | S422-D426 VanDerWaalsContact O-CB 3.24Å; S422-D426 WeakPolarHBondContact O-CB 3.3Å; S422-D426 PolarHBondContact O-N 3.01Å; Q423-D426 PolarHBondContact O-N 2.81Å; D426-K431 WeakPolarHBondContact O-CE 3.06Å; D426-K431 PolarHBondContact O-NZ 2.79Å; D426-K431 WeakPolarHBondContact OD1-CE 3.39Å; D426-K431 IonicContact OD1-NZ 2.68Å; D426-K431 PolarHBondContact OD1-NZ 2.63Å; D426-K431 IonicContact OD2-NZ 3.86Å |
| 427 | I | 95.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 34% | 0.338 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -83.5 | -32.4 | -177.3 | -64.4 | 170.4 | 0 | 0 | 0 | 111.9 | Q423 C424 T425 I600 N602 | Q423-I427 HydrophobicContact CG-CD1 3.82Å; Q423-I427 HydrophobicContact CG-CG1 4.49Å; Q423-I427 WeakPolarHBondContact O-CG1 3.24Å; Q423-I427 PolarHBondContact O-N 2.91Å; Q423-I427 VanDerWaalsContact O-N 3.17Å; C424-I427 PolarHBondContact O-N 2.78Å; T425-I427 VanDerWaalsContact C-N 3.3Å; T425-I427 PolarHBondContact O-N 3.11Å; I427-I600 HydrophobicContact CG2-CG2 4.12Å; I427-N602 HydrophobicContact CD1-CB 4.48Å |
| 428 | T | 96.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -98.1 | -31.3 | -171 | 56.3 | 0 | 0 | 0 | 0 | 114 | C424 T425 L531 I600 | C424-T428 WeakPolarHBondContact O-CB 3.37Å; C424-T428 VanDerWaalsContact O-CG2 3.29Å; C424-T428 WeakPolarHBondContact O-CG2 3.44Å; C424-T428 PolarHBondContact O-N 2.82Å; C424-T428 VanDerWaalsContact O-N 3.1Å; C424-T428 PolarHBondContact O-OG1 2.8Å; T425-T428 PolarHBondContact O-N 3Å; T428-L531 HydrophobicContact CG2-CB 4.09Å; T428-L531 HydrophobicContact CG2-CD1 4.31Å; T428-L531 HydrophobicContact CG2-CD2 4.11Å; T428-L531 HydrophobicContact CG2-CG 4.4Å; T428-L531 VanDerWaalsContact OG1-CD2 3.29Å; T428-L531 WeakPolarHBondContact OG1-CD2 3.25Å; T428-I600 HydrophobicContact CG2-CB 4.32Å; T428-I600 HydrophobicContact CG2-CD1 4.3Å; T428-I600 HydrophobicContact CG2-CG1 3.88Å; T428-I600 HydrophobicContact CG2-CG2 3.81Å |
| 429 | L | 97.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.4 | 145.1 | -174.1 | -60.6 | -171.1 | 0 | 0 | 0 | 112.1 | T425 K431 I435 I487 P489 I529 | T425-L429 HydrophobicContact CG2-CD1 4.31Å; T425-L429 VanDerWaalsContact O-CB 3.23Å; T425-L429 WeakPolarHBondContact O-CB 3.18Å; T425-L429 VanDerWaalsContact O-CG 3.25Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.4Å; L429-K431 PolarHBondContact O-N 3.42Å; L429-I435 HydrophobicContact CD2-CD1 4.05Å; L429-I435 HydrophobicContact CD2-CG1 4.11Å; L429-I435 HydrophobicContact CD2-CG2 4.13Å; L429-I487 HydrophobicContact CD1-CB 4.33Å; L429-I487 HydrophobicContact CD1-CG2 3.76Å; L429-P489 HydrophobicContact CB-CB 4.47Å; L429-P489 HydrophobicContact CB-CG 3.99Å; L429-I529 HydrophobicContact CD2-CD1 3.38Å |
| 430 | P | 97.3 | Very high | 97 | Very high | 48 Ų | 48 | 33 Ų | 33 | 31% | 0.312 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 130.5 | 179.5 | -21.5 | 33.4 | 0 | 0 | 0 | 112 | N433 G434 P527 I529 | P430-N433 PolarHBondContact O-N 2.84Å; P430-G434 VanDerWaalsContact O-CA 3.27Å; P430-G434 WeakPolarHBondContact O-CA 3.45Å; P430-G434 PolarHBondContact O-N 2.86Å; P430-P527 HydrophobicContact CG-CG 4.26Å; P430-I529 HydrophobicContact CG-CG2 3.82Å |
| 431 | K | 97.2 | Very high | 96.9 | Very high | 143 Ų | 143 | 32.9 Ų | 32.9 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 139 | 177.6 | -62.3 | -171.7 | 176.6 | -164.9 | 0 | 111.1 | D426 L429 P489 | D426-K431 WeakPolarHBondContact O-CE 3.06Å; D426-K431 PolarHBondContact O-NZ 2.79Å; D426-K431 WeakPolarHBondContact OD1-CE 3.39Å; D426-K431 IonicContact OD1-NZ 2.68Å; D426-K431 PolarHBondContact OD1-NZ 2.63Å; D426-K431 IonicContact OD2-NZ 3.86Å; L429-K431 PolarHBondContact O-N 3.42Å; K431-P489 HydrophobicContact CG-CB 4.39Å; K431-P489 HydrophobicContact CG-CG 3.96Å |
| 432 | P | 96.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 32.8 Ų | 32.8 | 64% | 0.636 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -93.7 | -6 | -5.4 | 36.6 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 433 | N | 96.3 | Very high | 96.8 | Very high | 97 Ų | 97 | 32.5 Ų | 32.5 | 52% | 0.519 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19.4 | -163.8 | -66.4 | -26.6 | 0 | 0 | 0 | 114.4 | P430 Q486 | P430-N433 PolarHBondContact O-N 2.84Å; N433-Q486 WeakPolarHBondContact O-CG 3.33Å; N433-Q486 PolarHBondContact O-NE2 3.31Å |
| 434 | G | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | 65.4 | -137.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P430 I487 | P430-G434 VanDerWaalsContact O-CA 3.27Å; P430-G434 WeakPolarHBondContact O-CA 3.45Å; P430-G434 PolarHBondContact O-N 2.86Å; G434-I487 VanDerWaalsContact CA-O 3.25Å; G434-I487 WeakPolarHBondContact CA-O 3.43Å | ||
| 435 | I | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.1 | -178.4 | 59.7 | 170.9 | 0 | 0 | 0 | 110.8 | M395 L429 V437 Q486 I487 I523 Y525 Y526 I529 | M395-I435 HydrophobicContact CE-CD1 4.16Å; L429-I435 HydrophobicContact CD2-CD1 4.05Å; L429-I435 HydrophobicContact CD2-CG1 4.11Å; L429-I435 HydrophobicContact CD2-CG2 4.13Å; I435-V437 HydrophobicContact CD1-CG2 4.43Å; I435-Q486 WeakPolarHBondContact O-CA 3.17Å; I435-I487 HydrophobicContact CD1-CB 4.48Å; I435-I487 HydrophobicContact CG1-CB 3.92Å; I435-I487 HydrophobicContact CG1-CG1 4.39Å; I435-I487 PolarHBondContact N-O 2.93Å; I435-I487 PolarHBondContact O-N 2.89Å; I435-I523 HydrophobicContact CD1-CD1 4.46Å; I435-Y525 HydrophobicContact CB-CD2 3.74Å; I435-Y525 HydrophobicContact CB-CE2 4.5Å; I435-Y525 HydrophobicContact CB-CG 4.36Å; I435-Y525 HydrophobicContact CD1-CD1 4.29Å; I435-Y525 HydrophobicContact CD1-CD2 3.68Å; I435-Y525 HydrophobicContact CD1-CE2 4.24Å; I435-Y525 HydrophobicContact CD1-CG 3.71Å; I435-Y525 HydrophobicContact CG1-CD2 4.29Å; I435-Y525 HydrophobicContact CG2-CD2 3.63Å; I435-Y525 HydrophobicContact CG2-CE2 3.92Å; I435-Y526 CarbonylContact C-O 3.55Å; I435-Y526 WeakPolarHBondContact CA-O 3.36Å; I435-I529 HydrophobicContact CG2-CD1 4.41Å; I435-I529 HydrophobicContact CG2-CG2 4.32Å |
| 436 | F | 98.3 | Very high | 96.1 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 26% | 0.259 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.5 | 175.6 | -62.6 | -87.4 | 0 | 0 | 0 | 108.8 | Q486 Y525 Y526 | F436-Q486 HydrophobicContact CD1-CB 4.04Å; F436-Q486 HydrophobicContact CD1-CG 4.21Å; F436-Q486 HydrophobicContact CE1-CB 3.9Å; F436-Q486 HydrophobicContact CE1-CG 3.77Å; F436-Q486 HydrophobicContact CZ-CG 4.17Å; F436-Y525 CarbonylContact O-C 3.47Å; F436-Y525 WeakPolarHBondContact O-CA 3.27Å; F436-Y525 WeakPolarHBondContact O-CB 3.38Å; F436-Y526 HydrophobicContact CB-CD1 4.32Å; F436-Y526 HydrophobicContact CB-CD2 4.44Å; F436-Y526 HydrophobicContact CB-CE1 3.96Å; F436-Y526 HydrophobicContact CB-CE2 4.11Å; F436-Y526 HydrophobicContact CD2-CD2 4.38Å; F436-Y526 HydrophobicContact CD2-CE2 4.03Å; F436-Y526 HydrophobicContact CG-CE2 4.32Å; F436-Y526 PolarHBondContact N-O 3.09Å; F436-Y526 PolarHBondContact O-N 3.49Å |
| 437 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.6 | 176 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | I435 L465 L481 Q484 I485 I487 I523 F524 | I435-V437 HydrophobicContact CD1-CG2 4.43Å; V437-L465 HydrophobicContact CG2-CD1 4.45Å; V437-L481 HydrophobicContact CB-CD1 4.42Å; V437-L481 HydrophobicContact CG1-CD1 3.82Å; V437-Q484 CarbonylContact O-C 3.52Å; V437-Q484 VanDerWaalsContact O-CA 3.24Å; V437-Q484 WeakPolarHBondContact O-CA 3.49Å; V437-I485 HydrophobicContact CB-CB 4.48Å; V437-I485 PolarHBondContact N-O 2.79Å; V437-I485 PolarHBondContact O-N 2.95Å; V437-I487 HydrophobicContact CG2-CG1 3.82Å; V437-I523 HydrophobicContact CG1-CB 3.84Å; V437-I523 HydrophobicContact CG1-CG2 4.23Å; V437-I523 HydrophobicContact CG2-CB 4.43Å; V437-I523 HydrophobicContact CG2-CD1 3.86Å; V437-F524 WeakPolarHBondContact CA-O 3.18Å |
| 438 | F | 96.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -19.8 | -178.3 | 64.7 | -91.9 | 0 | 0 | 0 | 113.3 | L339 F341 P342 V392 Q480 L481 Q484 F524 Y526 | L339-F438 HydrophobicContact CD2-CE2 4.34Å; F341-F438 HydrophobicContact CD2-CE2 4.47Å; F341-F438 HydrophobicContact CD2-CZ 4.08Å; F341-F438 HydrophobicContact CE2-CZ 4.28Å; F341-F438 HydrophobicContact CG-CE2 4.45Å; F341-F438 HydrophobicContact CG-CZ 4.47Å; P342-F438 HydrophobicContact CG-CB 3.72Å; P342-F438 HydrophobicContact CG-CD1 3.81Å; P342-F438 HydrophobicContact CG-CD2 3.86Å; P342-F438 HydrophobicContact CG-CE1 4.36Å; P342-F438 HydrophobicContact CG-CE2 4.4Å; P342-F438 HydrophobicContact CG-CG 3.51Å; V392-F438 HydrophobicContact CB-CZ 4.48Å; V392-F438 HydrophobicContact CG1-CE1 3.97Å; V392-F438 HydrophobicContact CG1-CZ 3.82Å; V392-F438 HydrophobicContact CG2-CE1 3.76Å; V392-F438 HydrophobicContact CG2-CZ 3.76Å; F438-Q480 PolarHBondContact O-NE2 2.87Å; F438-L481 WeakPolarHBondContact O-CB 3.28Å; F438-L481 PolarHBondContact O-N 2.84Å; F438-Q484 HydrophobicContact CB-CG 4.1Å; F438-F524 VanDerWaalsContact CD1-O 3.29Å; F438-F524 WeakPolarHBondContact CD1-O 3.28Å; F438-F524 HydrophobicContact CD2-CB 4.47Å; F438-F524 HydrophobicContact CE1-CB 3.94Å; F438-F524 HydrophobicContact CE2-CB 3.91Å; F438-F524 HydrophobicContact CZ-CB 3.62Å; F438-F524 PolarHBondContact N-O 2.91Å; F438-Y526 AromaticContact CD1-CD1 3.83Å; F438-Y526 HydrophobicContact CD1-CD1 3.83Å; F438-Y526 HydrophobicContact CD1-CE1 4.2Å; F438-Y526 HydrophobicContact CE1-CD1 4.17Å |
| 439 | A | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 159.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L339 I478 R479 F524 | L339-A439 HydrophobicContact CD1-CB 3.75Å; L339-A439 HydrophobicContact CD2-CB 4.02Å; A439-I478 HydrophobicContact CB-CG2 3.78Å; A439-R479 CarbonylContact C-O 3.53Å; A439-R479 WeakPolarHBondContact CA-O 3.16Å; A439-R479 WeakPolarHBondContact CB-O 3.4Å; A439-F524 HydrophobicContact CB-CB 3.97Å; A439-F524 HydrophobicContact CB-CD2 4.19Å; A439-F524 HydrophobicContact CB-CG 4.23Å; A439-F524 PolarHBondContact O-N 3.06Å |
| 440 | S | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 141.6 | -177.4 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | N466 R479 N521 Y522 | S440-N466 WeakPolarHBondContact CB-ND2 3.37Å; S440-N466 WeakPolarHBondContact OG-CB 3.49Å; S440-N466 PolarHBondContact OG-ND2 3.08Å; S440-R479 PolarHBondContact N-O 2.93Å; S440-R479 PolarHBondContact O-N 2.9Å; S440-N521 PolarHBondContact OG-ND2 3.24Å; S440-N521 VanDerWaalsContact OG-ND2 3.1Å; S440-N521 PolarHBondContact OG-OD1 2.8Å; S440-Y522 CarbonylContact C-O 3.55Å; S440-Y522 VanDerWaalsContact CA-O 3.24Å; S440-Y522 WeakPolarHBondContact CA-O 3.29Å |
| 441 | Q | 95.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.8 | 172.4 | -179.9 | -171.2 | 17.8 | 0 | 0 | 109.5 | E297 I478 N521 Y522 | E297-Q441 PolarHBondContact OE1-NE2 3.03Å; Q441-I478 HydrophobicContact CB-CB 4.4Å; Q441-I478 HydrophobicContact CB-CG1 3.68Å; Q441-I478 HydrophobicContact CG-CG1 4.1Å; Q441-N521 CarbonylContact O-C 3.46Å; Q441-N521 WeakPolarHBondContact O-CA 3.35Å; Q441-N521 PolarHBondContact O-OD1 3.34Å; Q441-Y522 HydrophobicContact CB-CD2 4.45Å; Q441-Y522 PolarHBondContact N-O 2.04Å; Q441-Y522 PolarHBondContact O-N 2.99Å |
| 442 | L | 95.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139.9 | 175.8 | -53.3 | 179.1 | 0 | 0 | 0 | 108.8 | V451 N466 D468 Y471 N521 | L442-V451 HydrophobicContact CB-CB 4.1Å; L442-V451 HydrophobicContact CB-CG1 4.04Å; L442-V451 HydrophobicContact CB-CG2 4.47Å; L442-V451 HydrophobicContact CD1-CB 3.97Å; L442-V451 HydrophobicContact CD1-CG1 4.26Å; L442-V451 HydrophobicContact CD2-CB 4.44Å; L442-V451 HydrophobicContact CD2-CG1 3.82Å; L442-V451 HydrophobicContact CG-CB 4.37Å; L442-V451 HydrophobicContact CG-CG1 4.24Å; L442-N466 HydrophobicContact CD2-CB 4.14Å; L442-D468 HydrophobicContact CD1-CB 3.64Å; L442-Y471 HydrophobicContact CB-CD2 4.12Å; L442-Y471 HydrophobicContact CB-CE2 3.98Å; L442-N521 HydrophobicContact CD2-CB 4.02Å |
| 443 | H | 94.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 18.3 Ų | 18.3 | 12% | 0.12 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135.5 | -178.5 | 176.6 | 90.9 | 0 | 0 | 0 | 112.8 | H445 Q476 L520 Y522 | H443-H445 AromaticContact NE2-CD2 3.71Å; H443-H445 AromaticContact NE2-NE2 3.96Å; H443-Q476 PolarHBondContact ND1-OE1 2.97Å; H443-L520 HydrophobicContact CB-CB 4.11Å; H443-L520 PolarHBondContact N-O 3.06Å; H443-L520 PolarHBondContact O-N 2.9Å; H443-Y522 HydrophobicContact CB-CE2 4.06Å |
| 444 | T | 95 | Very high | 96 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -145.7 | 173.1 | 170.1 | 73.5 | 0 | 0 | 0 | 0 | 108.4 | G448 V451 Y471 Q476 C497 Y499 M518 | T444-G448 WeakPolarHBondContact OG1-CA 3.43Å; T444-V451 HydrophobicContact CG2-CG2 3.59Å; T444-Y471 HydrophobicContact CG2-CE1 4.02Å; T444-Y471 PolarHBondContact N-OH 3.13Å; T444-Y471 WeakPolarHBondContact OG1-CE1 3.23Å; T444-Y471 PolarHBondContact OG1-OH 2.89Å; T444-Q476 PolarHBondContact O-NE2 2.02Å; T444-C497 HydrophobicContact CG2-CB 4.17Å; T444-Y499 HydrophobicContact CG2-CE1 4.36Å; T444-M518 WeakPolarHBondContact CA-O 3.22Å; T444-M518 WeakPolarHBondContact CB-O 3.22Å | ||
| 445 | H | 91.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 13.9 Ų | 13.9 | 11% | 0.106 | 7% | 0.068 | C | C | . | . | trans | -90 | -160.2 | 164.3 | -58.2 | 169.4 | 0 | 0 | 0 | 111 | H443 T447 G448 P473 R513 D516 E517 M518 | H443-H445 AromaticContact NE2-CD2 3.71Å; H443-H445 AromaticContact NE2-NE2 3.96Å; H445-T447 PolarHBondContact O-N 3.02Å; H445-G448 PolarHBondContact O-N 3.23Å; H445-P473 WeakPolarHBondContact O-CB 3.47Å; H445-P473 WeakPolarHBondContact O-CG 3.4Å; H445-R513 PolarHBondContact CE1-O 2.81Å; H445-R513 PolarHBondContact ND1-O 2.92Å; H445-R513 VanDerWaalsContact ND1-O 3.08Å; H445-D516 WeakPolarHBondContact CB-O 3.26Å; H445-D516 VanDerWaalsContact ND1-C 3.34Å; H445-D516 PolarHBondContact ND1-O 2.89Å; H445-E517 WeakPolarHBondContact CA-OE2 3.12Å; H445-E517 WeakPolarHBondContact CB-OE2 3.02Å; H445-E517 PolarHBondContact N-OE2 2.03Å; H445-M518 WeakPolarHBondContact NE2-CG 3.35Å | ||
| 446 | L | 90.5 | Very high | 95.8 | Very high | 73 Ų | 73 | 13.8 Ų | 13.8 | 38% | 0.382 | 7% | 0.068 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.4 | -161.8 | -61.1 | 178.3 | 0 | 0 | 0 | 116.1 | I514 E517 | L446-I514 HydrophobicContact CD1-CG1 4.16Å; L446-I514 HydrophobicContact CG-CG1 4.38Å; L446-E517 PolarHBondContact N-OE1 3.48Å |
| 447 | T | 95.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 13.9 Ų | 13.9 | 6% | 0.055 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7 | -176.8 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | H445 Y499 D500 T501 K504 E517 | H445-T447 PolarHBondContact O-N 3.02Å; T447-Y499 CarbonylContact O-C 3.6Å; T447-Y499 WeakPolarHBondContact O-CA 3.49Å; T447-Y499 WeakPolarHBondContact OG1-CD1 3.35Å; T447-D500 WeakPolarHBondContact CB-O 3.07Å; T447-D500 PolarHBondContact O-N 3.24Å; T447-T501 HydrophobicContact CG2-CG2 4.24Å; T447-K504 HydrophobicContact CG2-CG 4.44Å; T447-E517 WeakPolarHBondContact CA-OE1 3.39Å; T447-E517 WeakPolarHBondContact CB-OE1 3.36Å; T447-E517 PolarHBondContact N-OE1 2.65Å; T447-E517 VanDerWaalsContact OG1-CG 3.22Å; T447-E517 WeakPolarHBondContact OG1-CG 3.35Å; T447-E517 PolarHBondContact OG1-OE1 3.14Å |
| 448 | G | 96.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T444 H445 P473 | T444-G448 WeakPolarHBondContact OG1-CA 3.43Å; H445-G448 PolarHBondContact O-N 3.23Å; G448-P473 WeakPolarHBondContact O-CD 3.28Å |
| 449 | I | 95.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 23 Ų | 23 | 33% | 0.328 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -16.6 | -177.6 | 56.5 | 162.9 | 0 | 0 | 0 | 113.6 | Y471 T498 D500 | I449-Y471 CarbonylContact C-O 3.53Å; I449-Y471 PolarHBondContact O-N 2.92Å; I449-T498 HydrophobicContact CD1-CG2 4.07Å; I449-T498 HydrophobicContact CG1-CG2 4.09Å; I449-T498 VanDerWaalsContact CG1-O 3.29Å; I449-T498 WeakPolarHBondContact CG1-O 3.14Å; I449-T498 PolarHBondContact N-O 3.41Å; I449-D500 HydrophobicContact CD1-CB 4.29Å; I449-D500 HydrophobicContact CG2-CB 3.94Å |
| 450 | K | 95.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 27.1 Ų | 27.1 | 8% | 0.078 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139.9 | 176.9 | 160.2 | 175.3 | 176.9 | -180 | 0 | 110.1 | D468 N469 C497 T498 D619 | K450-D468 CarbonylContact C-O 3.56Å; K450-D468 VanDerWaalsContact CA-O 3.27Å; K450-D468 WeakPolarHBondContact CA-O 2.95Å; K450-N469 HydrophobicContact CD-CB 4.33Å; K450-N469 WeakPolarHBondContact CD-OD1 3.37Å; K450-N469 WeakPolarHBondContact CE-OD1 3.06Å; K450-N469 PolarHBondContact NZ-OD1 3.45Å; K450-C497 CarbonylContact O-C 3.51Å; K450-C497 WeakPolarHBondContact O-CA 3.06Å; K450-T498 PolarHBondContact N-O 3.11Å; K450-T498 PolarHBondContact O-N 2.95Å; K450-D619 IonicContact NZ-OD1 3.71Å; K450-D619 PolarHBondContact NZ-OD1 3.12Å; K450-D619 IonicContact NZ-OD2 3.75Å; K450-D619 PolarHBondContact NZ-OD2 2.93Å |
| 451 | V | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.1 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | L442 T444 D468 Y471 T495 R496 C497 | L442-V451 HydrophobicContact CB-CB 4.1Å; L442-V451 HydrophobicContact CB-CG1 4.04Å; L442-V451 HydrophobicContact CB-CG2 4.47Å; L442-V451 HydrophobicContact CD1-CB 3.97Å; L442-V451 HydrophobicContact CD1-CG1 4.26Å; L442-V451 HydrophobicContact CD2-CB 4.44Å; L442-V451 HydrophobicContact CD2-CG1 3.82Å; L442-V451 HydrophobicContact CG-CB 4.37Å; L442-V451 HydrophobicContact CG-CG1 4.24Å; T444-V451 HydrophobicContact CG2-CG2 3.59Å; V451-D468 PolarHBondContact N-O 3.1Å; V451-D468 PolarHBondContact O-N 3.46Å; V451-Y471 HydrophobicContact CG2-CD1 4.1Å; V451-Y471 HydrophobicContact CG2-CD2 4.17Å; V451-Y471 HydrophobicContact CG2-CE1 4.39Å; V451-Y471 HydrophobicContact CG2-CE2 4.42Å; V451-Y471 HydrophobicContact CG2-CG 3.98Å; V451-T495 HydrophobicContact CG1-CG2 4.24Å; V451-R496 WeakPolarHBondContact CA-O 3.43Å; V451-C497 HydrophobicContact CG2-CB 4.41Å |
| 452 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 140.1 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 110.4 | Y454 D464 N466 R467 T495 R496 | V452-Y454 HydrophobicContact CG1-CD2 4.33Å; V452-Y454 HydrophobicContact CG1-CE1 4.38Å; V452-Y454 HydrophobicContact CG1-CE2 3.53Å; V452-Y454 HydrophobicContact CG2-CD1 4.17Å; V452-Y454 HydrophobicContact CG2-CD2 4.46Å; V452-Y454 HydrophobicContact CG2-CE1 3.88Å; V452-Y454 HydrophobicContact CG2-CE2 4.2Å; V452-Y454 HydrophobicContact CG2-CG 4.46Å; V452-D464 HydrophobicContact CG2-CB 4.26Å; V452-N466 WeakPolarHBondContact CA-O 3.45Å; V452-R467 HydrophobicContact CB-CB 4.43Å; V452-R467 HydrophobicContact CB-CG 4.34Å; V452-R467 HydrophobicContact CG2-CB 4.1Å; V452-R467 HydrophobicContact CG2-CG 4.25Å; V452-T495 CarbonylContact O-C 3.51Å; V452-T495 WeakPolarHBondContact O-CA 3.45Å; V452-R496 HydrophobicContact CG1-CB 4.01Å; V452-R496 PolarHBondContact N-O 3.41Å; V452-R496 PolarHBondContact O-N 3.34Å |
| 453 | T | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 108 | 169.8 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | L397 D464 L465 N466 L493 I494 T495 N521 | L397-T453 HydrophobicContact CD1-CG2 3.99Å; T453-D464 CarbonylContact O-C 3.57Å; T453-L465 HydrophobicContact CG2-CB 3.93Å; T453-L465 HydrophobicContact CG2-CD1 4.32Å; T453-L465 HydrophobicContact CG2-CD2 4.44Å; T453-L465 HydrophobicContact CG2-CG 4.47Å; T453-L465 PolarHBondContact O-N 3.17Å; T453-N466 PolarHBondContact N-O 3.34Å; T453-L493 HydrophobicContact CG2-CB 4.38Å; T453-I494 CarbonylContact C-O 3.58Å; T453-I494 VanDerWaalsContact CA-O 3.29Å; T453-I494 WeakPolarHBondContact CA-O 3.22Å; T453-T495 PolarHBondContact OG1-OG1 2.74Å; T453-N521 WeakPolarHBondContact CB-ND2 3.31Å; T453-N521 WeakPolarHBondContact OG1-CB 3.25Å; T453-N521 PolarHBondContact OG1-ND2 2.82Å |
| 454 | Y | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.9 | 175.2 | -58.1 | -76.5 | 0 | 0 | 0 | 110.9 | V452 D464 L493 I494 R496 I612 | V452-Y454 HydrophobicContact CG1-CD2 4.33Å; V452-Y454 HydrophobicContact CG1-CE1 4.38Å; V452-Y454 HydrophobicContact CG1-CE2 3.53Å; V452-Y454 HydrophobicContact CG2-CD1 4.17Å; V452-Y454 HydrophobicContact CG2-CD2 4.46Å; V452-Y454 HydrophobicContact CG2-CE1 3.88Å; V452-Y454 HydrophobicContact CG2-CE2 4.2Å; V452-Y454 HydrophobicContact CG2-CG 4.46Å; Y454-D464 WeakPolarHBondContact CD1-OD1 3.24Å; Y454-L493 WeakPolarHBondContact O-CA 3.44Å; Y454-I494 HydrophobicContact CD2-CB 4.29Å; Y454-I494 WeakPolarHBondContact CD2-O 3.33Å; Y454-I494 PolarHBondContact N-O 3.44Å; Y454-I494 PolarHBondContact O-N 2.72Å; Y454-R496 HydrophobicContact CE2-CB 4.14Å; Y454-I612 HydrophobicContact CD1-CG2 4.07Å; Y454-I612 HydrophobicContact CD2-CD1 3.49Å; Y454-I612 VanDerWaalsContact CD2-CD1 3.49Å; Y454-I612 HydrophobicContact CD2-CG1 3.96Å; Y454-I612 HydrophobicContact CD2-CG2 4.37Å; Y454-I612 HydrophobicContact CE1-CG2 4.1Å; Y454-I612 HydrophobicContact CE2-CD1 3.51Å; Y454-I612 HydrophobicContact CE2-CG1 4.31Å; Y454-I612 HydrophobicContact CE2-CG2 4.38Å; Y454-I612 HydrophobicContact CG-CD1 4.3Å; Y454-I612 HydrophobicContact CG-CG1 4.29Å; Y454-I612 HydrophobicContact CG-CG2 4.2Å |
| 455 | H | 97 | Very high | 94.9 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.4 | 172.9 | -177.3 | -167.5 | 0 | 0 | 0 | 109.8 | L462 Q486 I487 D491 L493 | H455-L462 HydrophobicContact CB-CB 4.28Å; H455-L462 PolarHBondContact O-N 2.84Å; H455-Q486 PolarHBondContact CE1-O 2.57Å; H455-I487 WeakPolarHBondContact CE1-CD1 3.45Å; H455-D491 IonicContact CD2-OD2 3.2Å; H455-D491 IonicContact CE1-OD2 2.89Å; H455-D491 IonicContact NE2-OD2 3.65Å; H455-D491 PolarHBondContact NE2-OD2 3.2Å; H455-L493 HydrophobicContact CB-CD2 4.12Å |
| 456 | I | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.7 | -177.7 | -59.3 | 173.7 | 0 | 0 | 0 | 109.7 | T460 D491 T492 I494 E610 | I456-T460 WeakPolarHBondContact CA-O 3.33Å; I456-D491 CarbonylContact O-C 3.56Å; I456-D491 WeakPolarHBondContact O-CA 3.31Å; I456-T492 PolarHBondContact N-O 3.37Å; I456-T492 PolarHBondContact O-N 2.88Å; I456-I494 HydrophobicContact CD1-CD1 3.49Å; I456-I494 VanDerWaalsContact CD1-CD1 3.49Å; I456-I494 HydrophobicContact CD1-CG1 4.29Å; I456-E610 HydrophobicContact CD1-CG 4.45Å; I456-E610 WeakPolarHBondContact CG2-OE1 3.47Å |
| 457 | R | 96.1 | Very high | 95.3 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118.6 | 174.3 | 179.7 | 171.7 | -67 | 152.2 | 4.5 | 109.4 | G459 T460 L462 Q486 D491 | R457-G459 VanDerWaalsContact C-N 3.28Å; R457-G459 PolarHBondContact O-N 3.44Å; R457-T460 PolarHBondContact N-O 3.42Å; R457-T460 WeakPolarHBondContact O-CB 3.33Å; R457-T460 PolarHBondContact O-N 3.26Å; R457-L462 HydrophobicContact CB-CD1 3.76Å; R457-L462 HydrophobicContact CB-CG 4.22Å; R457-Q486 PolarHBondContact NH2-O 2.75Å; R457-D491 WeakPolarHBondContact CB-OD1 3.28Å; R457-D491 VanDerWaalsContact CG-OD1 3.28Å; R457-D491 WeakPolarHBondContact CG-OD1 3.39Å; R457-D491 IonicContact CZ-OD1 3.56Å; R457-D491 IonicContact CZ-OD2 2.65Å; R457-D491 IonicContact NE-OD1 3.34Å; R457-D491 PolarHBondContact NE-OD1 3.1Å; R457-D491 IonicContact NE-OD2 3.19Å; R457-D491 PolarHBondContact NE-OD2 3.42Å; R457-D491 IonicContact NH2-OD1 2.8Å; R457-D491 IonicContact NH2-OD2 3.9Å; R457-D491 PolarHBondContact NH2-OD2 3.06Å |
| 458 | N | 93.8 | Very high | 95.2 | Very high | 149 Ų | 149 | 34.8 Ų | 34.8 | 80% | 0.797 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 46 | -179.1 | -59.9 | -31.9 | 0 | 0 | 0 | 112.9 | T460 | N458-T460 PolarHBondContact O-N 3.44Š|
| 459 | G | 91.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 45% | 0.454 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 4.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R457 P613 | R457-G459 VanDerWaalsContact C-N 3.28Å; R457-G459 PolarHBondContact O-N 3.44Å; G459-P613 VanDerWaalsContact O-CG 3.28Å; G459-P613 WeakPolarHBondContact O-CG 3.4Å |
| 460 | T | 94.5 | Very high | 95 | Very high | 86 Ų | 86 | 34.5 Ų | 34.5 | 53% | 0.528 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.1 | 175.5 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | I456 R457 N458 L462 | I456-T460 WeakPolarHBondContact CA-O 3.33Å; R457-T460 PolarHBondContact N-O 3.42Å; R457-T460 WeakPolarHBondContact O-CB 3.33Å; R457-T460 PolarHBondContact O-N 3.26Å; N458-T460 PolarHBondContact O-N 3.44Å; T460-L462 PolarHBondContact O-N 2.82Å |
| 461 | R | 93.7 | Very high | 95 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.8 | 172.5 | -176.9 | 173.7 | 171.3 | -154.9 | -8.9 | 109.4 | D464 P613 L614 D616 | R461-D464 IonicContact CZ-OD1 2.72Å; R461-D464 IonicContact NE-OD1 3.45Å; R461-D464 PolarHBondContact NE-OD1 2.89Å; R461-D464 VanDerWaalsContact NH2-CG 3.31Å; R461-D464 IonicContact NH2-OD1 2.65Å; R461-D464 PolarHBondContact NH2-OD1 3.43Å; R461-D464 IonicContact NH2-OD2 2.86Å; R461-D464 PolarHBondContact NH2-OD2 2.8Å; R461-P613 HydrophobicContact CB-CB 4.35Å; R461-P613 HydrophobicContact CB-CG 4.27Å; R461-P613 WeakPolarHBondContact CD-O 3.27Å; R461-L614 PolarHBondContact NH1-O 3.04Å; R461-D616 IonicContact CZ-OD2 3.29Å; R461-D616 IonicContact NH1-OD2 2.9Å; R461-D616 PolarHBondContact NH1-OD2 2.85Å; R461-D616 IonicContact NH2-OD2 3.03Å |
| 462 | L | 95 | Very high | 94.7 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 173.1 | 167.2 | -62.2 | -177.9 | 0 | 0 | 0 | 109 | H455 R457 T460 D464 | H455-L462 HydrophobicContact CB-CB 4.28Å; H455-L462 PolarHBondContact O-N 2.84Å; R457-L462 HydrophobicContact CB-CD1 3.76Å; R457-L462 HydrophobicContact CB-CG 4.22Å; T460-L462 PolarHBondContact O-N 2.82Å; L462-D464 PolarHBondContact O-N 2.85Å |
| 463 | P | 92.4 | Very high | 94.4 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 71% | 0.714 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -49.3 | 137.6 | 171.1 | -28.2 | 36.7 | 0 | 0 | 0 | 111.2 | L465 | P463-L465 PolarHBondContact O-N 3.39Å |
| 464 | D | 93.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 18% | 0.176 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 140.2 | -179.5 | -59.3 | -19.5 | 0 | 0 | 0 | 109.7 | V452 T453 Y454 R461 L462 N466 R467 | V452-D464 HydrophobicContact CG2-CB 4.26Å; T453-D464 CarbonylContact O-C 3.57Å; Y454-D464 WeakPolarHBondContact CD1-OD1 3.24Å; R461-D464 IonicContact CZ-OD1 2.72Å; R461-D464 IonicContact NE-OD1 3.45Å; R461-D464 PolarHBondContact NE-OD1 2.89Å; R461-D464 VanDerWaalsContact NH2-CG 3.31Å; R461-D464 IonicContact NH2-OD1 2.65Å; R461-D464 PolarHBondContact NH2-OD1 3.43Å; R461-D464 IonicContact NH2-OD2 2.86Å; R461-D464 PolarHBondContact NH2-OD2 2.8Å; L462-D464 PolarHBondContact O-N 2.85Å; D464-N466 VanDerWaalsContact C-N 3.35Å; D464-R467 IonicContact OD2-CZ 2.78Å; D464-R467 IonicContact OD2-NE 2.81Å; D464-R467 PolarHBondContact OD2-NE 2.98Å; D464-R467 IonicContact OD2-NH2 3.26Å; D464-R467 PolarHBondContact OD2-NH2 3.44Å |
| 465 | L | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | -44.6 | -178.6 | -177.7 | 154.7 | 0 | 0 | 0 | 110.9 | V437 T453 P463 L481 I485 I487 L493 I523 | V437-L465 HydrophobicContact CG2-CD1 4.45Å; T453-L465 HydrophobicContact CG2-CB 3.93Å; T453-L465 HydrophobicContact CG2-CD1 4.32Å; T453-L465 HydrophobicContact CG2-CD2 4.44Å; T453-L465 HydrophobicContact CG2-CG 4.47Å; T453-L465 PolarHBondContact O-N 3.17Å; P463-L465 PolarHBondContact O-N 3.39Å; L465-L481 WeakPolarHBondContact O-CD2 3.25Å; L465-I485 HydrophobicContact CB-CD1 4.37Å; L465-I485 HydrophobicContact CG-CD1 4.26Å; L465-I485 WeakPolarHBondContact O-CD1 3.47Å; L465-I487 HydrophobicContact CD1-CD1 4.29Å; L465-L493 HydrophobicContact CD1-CD1 4.37Å; L465-L493 HydrophobicContact CD1-CD2 4.14Å; L465-I523 HydrophobicContact CD1-CG2 4.08Å; L465-I523 HydrophobicContact CD2-CG2 3.72Å |
| 466 | N | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 148.5 | 171.3 | -167.1 | 3 | 0 | 0 | 0 | 108.4 | S440 L442 V452 T453 D464 | S440-N466 WeakPolarHBondContact CB-ND2 3.37Å; S440-N466 WeakPolarHBondContact OG-CB 3.49Å; S440-N466 PolarHBondContact OG-ND2 3.08Å; L442-N466 HydrophobicContact CD2-CB 4.14Å; V452-N466 WeakPolarHBondContact CA-O 3.45Å; T453-N466 PolarHBondContact N-O 3.34Å; D464-N466 VanDerWaalsContact C-N 3.35Å |
| 467 | R | 94.3 | Very high | 92.7 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 137.9 | -179.6 | 174.7 | 178.8 | -74.1 | -103.1 | 6.6 | 109.2 | Q175 V452 D464 N469 D619 | Q175-R467 WeakPolarHBondContact CG-O 3.33Å; V452-R467 HydrophobicContact CB-CB 4.43Å; V452-R467 HydrophobicContact CB-CG 4.34Å; V452-R467 HydrophobicContact CG2-CB 4.1Å; V452-R467 HydrophobicContact CG2-CG 4.25Å; D464-R467 IonicContact OD2-CZ 2.78Å; D464-R467 IonicContact OD2-NE 2.81Å; D464-R467 PolarHBondContact OD2-NE 2.98Å; D464-R467 IonicContact OD2-NH2 3.26Å; D464-R467 PolarHBondContact OD2-NH2 3.44Å; R467-N469 PolarHBondContact NH1-OD1 2.64Å; R467-D619 IonicContact NH1-OD1 3.15Å |
| 468 | D | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 103.6 | 166.9 | -163.5 | -15.7 | 0 | 0 | 0 | 110.1 | T176 L442 K450 V451 Y470 Y471 R479 | T176-D468 WeakPolarHBondContact CB-OD2 3.01Å; T176-D468 PolarHBondContact N-OD1 3.24Å; T176-D468 PolarHBondContact N-OD2 2.8Å; T176-D468 PolarHBondContact OG1-OD2 2.8Å; L442-D468 HydrophobicContact CD1-CB 3.64Å; K450-D468 CarbonylContact C-O 3.56Å; K450-D468 VanDerWaalsContact CA-O 3.27Å; K450-D468 WeakPolarHBondContact CA-O 2.95Å; V451-D468 PolarHBondContact N-O 3.1Å; V451-D468 PolarHBondContact O-N 3.46Å; D468-Y470 VanDerWaalsContact C-N 3.27Å; D468-Y470 VanDerWaalsContact OD1-C 3.29Å; D468-Y470 PolarHBondContact OD1-N 2.8Å; D468-Y471 PolarHBondContact OD1-N 3.09Å; D468-Y471 VanDerWaalsContact OD1-N 3.08Å; D468-R479 IonicContact OD2-CZ 2.99Å; D468-R479 IonicContact OD2-NH1 2.91Å; D468-R479 PolarHBondContact OD2-NH1 3.18Å; D468-R479 IonicContact OD2-NH2 2.79Å; D468-R479 PolarHBondContact OD2-NH2 3.12Å |
| 469 | N | 93.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -12.2 | 177.1 | -66.7 | -19 | 0 | 0 | 0 | 112.4 | Q175 K450 R467 D619 | Q175-N469 VanDerWaalsContact OE1-CB 3.28Å; K450-N469 HydrophobicContact CD-CB 4.33Å; K450-N469 WeakPolarHBondContact CD-OD1 3.37Å; K450-N469 WeakPolarHBondContact CE-OD1 3.06Å; K450-N469 PolarHBondContact NZ-OD1 3.45Å; R467-N469 PolarHBondContact NH1-OD1 2.64Å; N469-D619 PolarHBondContact ND2-OD1 3.16Å |
| 470 | Y | 94 | Very high | 92.5 | Very high | 34 Ų | 34 | 28.6 Ų | 28.6 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 25.8 | -177.7 | -47.8 | -49.8 | 0 | 0 | 0 | 110.8 | K83 Y170 Q175 T176 H178 D468 | K83-Y470 HydrophobicContact CB-CD1 3.62Å; K83-Y470 HydrophobicContact CB-CE1 3.59Å; K83-Y470 HydrophobicContact CB-CG 4.4Å; K83-Y470 HydrophobicContact CD-CE1 3.61Å; K83-Y470 VanDerWaalsContact CE-OH 3.32Å; K83-Y470 WeakPolarHBondContact CE-OH 3.49Å; K83-Y470 HydrophobicContact CG-CD1 3.91Å; K83-Y470 HydrophobicContact CG-CE1 3.39Å; K83-Y470 HydrophobicContact CG-CE2 4.32Å; Y170-Y470 HydrophobicContact CE2-CE2 4.27Å; Q175-Y470 HydrophobicContact CB-CD2 4.48Å; T176-Y470 WeakPolarHBondContact CB-O 3.46Å; T176-Y470 VanDerWaalsContact O-CB 3.32Å; T176-Y470 WeakPolarHBondContact O-CB 3.48Å; T176-Y470 WeakPolarHBondContact O-CD2 3.33Å; H178-Y470 PolarHBondContact NE2-O 2.78Å; D468-Y470 VanDerWaalsContact C-N 3.27Å; D468-Y470 VanDerWaalsContact OD1-C 3.29Å; D468-Y470 PolarHBondContact OD1-N 2.8Å |
| 471 | Y | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | -57.3 | 143.5 | -178.2 | 172 | -86.4 | 0 | 0 | 0 | 110.8 | L442 T444 I449 V451 D468 P473 Q476 | L442-Y471 HydrophobicContact CB-CD2 4.12Å; L442-Y471 HydrophobicContact CB-CE2 3.98Å; T444-Y471 HydrophobicContact CG2-CE1 4.02Å; T444-Y471 PolarHBondContact N-OH 3.13Å; T444-Y471 WeakPolarHBondContact OG1-CE1 3.23Å; T444-Y471 PolarHBondContact OG1-OH 2.89Å; I449-Y471 CarbonylContact C-O 3.53Å; I449-Y471 PolarHBondContact O-N 2.92Å; V451-Y471 HydrophobicContact CG2-CD1 4.1Å; V451-Y471 HydrophobicContact CG2-CD2 4.17Å; V451-Y471 HydrophobicContact CG2-CE1 4.39Å; V451-Y471 HydrophobicContact CG2-CE2 4.42Å; V451-Y471 HydrophobicContact CG2-CG 3.98Å; D468-Y471 PolarHBondContact OD1-N 3.09Å; D468-Y471 VanDerWaalsContact OD1-N 3.08Å; Y471-P473 HydrophobicContact CE1-CB 4.22Å; Y471-Q476 PolarHBondContact OH-NE2 3.43Å | ||
| 472 | S | 92.7 | Very high | 92 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | trans | -132.2 | 135.3 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | L225 H474 F475 | L225-S472 VanDerWaalsContact CD1-CB 3.47Å; S472-H474 PolarHBondContact O-N 3.05Å; S472-H474 VanDerWaalsContact O-N 3.09Å; S472-H474 PolarHBondContact OG-N 3.13Å; S472-F475 CarbonylContact O-C 3.47Å; S472-F475 PolarHBondContact O-N 2.98Å | ||
| 473 | P | 89.4 | Confident | 91.8 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 7% | 0.071 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.9 | 176.9 | 28.3 | -34.6 | 0 | 0 | 0 | 112.4 | H445 G448 Y471 F475 Q476 | H445-P473 WeakPolarHBondContact O-CB 3.47Å; H445-P473 WeakPolarHBondContact O-CG 3.4Å; G448-P473 WeakPolarHBondContact O-CD 3.28Å; Y471-P473 HydrophobicContact CE1-CB 4.22Å; P473-F475 VanDerWaalsContact C-N 3.34Å; P473-Q476 WeakPolarHBondContact O-CG 3.43Å; P473-Q476 PolarHBondContact O-NE2 2.95Å |
| 474 | H | 86.3 | Confident | 91.9 | Very high | 65 Ų | 65 | 28.2 Ų | 28.2 | 30% | 0.301 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.3 | 174.3 | -58.3 | -55.9 | 0 | 0 | 0 | 112.7 | Y262 H294 H295 S472 | Y262-H474 PolarHBondContact OH-ND1 3.25Å; H294-H474 PolarHBondContact CE1-O 2.97Å; H294-H474 PolarHBondContact ND1-O 3.26Å; H295-H474 PolarHBondContact ND1-O 2.82Å; S472-H474 PolarHBondContact O-N 3.05Å; S472-H474 VanDerWaalsContact O-N 3.09Å; S472-H474 PolarHBondContact OG-N 3.13Å |
| 475 | F | 89.4 | Confident | 92 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | trans | -119.8 | 85.7 | -178.5 | -175.6 | -109.4 | 0 | 0 | 0 | 111 | T176 L225 Q227 A333 M334 S472 P473 E477 | T176-F475 HydrophobicContact CG2-CD1 3.8Å; T176-F475 HydrophobicContact CG2-CE1 4.31Å; L225-F475 HydrophobicContact CB-CB 3.7Å; L225-F475 HydrophobicContact CB-CD1 4.27Å; L225-F475 HydrophobicContact CB-CD2 3.87Å; L225-F475 HydrophobicContact CB-CG 3.68Å; L225-F475 HydrophobicContact CD1-CB 3.61Å; L225-F475 HydrophobicContact CG-CB 4.32Å; L225-F475 WeakPolarHBondContact O-CD2 3.26Å; L225-F475 VanDerWaalsContact O-CE2 3.24Å; L225-F475 WeakPolarHBondContact O-CE2 3.24Å; Q227-F475 HydrophobicContact CB-CE1 4.42Å; A333-F475 HydrophobicContact CB-CD2 3.53Å; A333-F475 HydrophobicContact CB-CE2 3.43Å; A333-F475 VanDerWaalsContact CB-CE2 3.43Å; A333-F475 HydrophobicContact CB-CG 4.4Å; A333-F475 HydrophobicContact CB-CZ 4.24Å; M334-F475 WeakPolarHBondContact O-CE2 3.21Å; S472-F475 CarbonylContact O-C 3.47Å; S472-F475 PolarHBondContact O-N 2.98Å; P473-F475 VanDerWaalsContact C-N 3.34Å; F475-E477 HydrophobicContact CE1-CG 4.47Å; F475-E477 HydrophobicContact CZ-CG 4.46Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.38Å | ||
| 476 | Q | 86 | Confident | 92.1 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | trans | -113.9 | 109.3 | -177.8 | -59.1 | -173.3 | 11.7 | 0 | 0 | 109.7 | E297 H443 T444 Y471 P473 | E297-Q476 PolarHBondContact OE1-OE1 3.34Å; H443-Q476 PolarHBondContact ND1-OE1 2.97Å; T444-Q476 PolarHBondContact O-NE2 2.02Å; Y471-Q476 PolarHBondContact OH-NE2 3.43Å; P473-Q476 WeakPolarHBondContact O-CG 3.43Å; P473-Q476 PolarHBondContact O-NE2 2.95Å | ||
| 477 | E | 90.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | trans | -125.5 | 154.8 | 172.9 | 69.7 | 179.3 | 151.5 | 0 | 0 | 110.3 | Q227 K230 A333 S336 F475 R479 | Q227-E477 WeakPolarHBondContact CB-OE1 3.03Å; Q227-E477 PolarHBondContact OE1-OE1 2.88Å; K230-E477 IonicContact NZ-OE1 2.71Å; K230-E477 PolarHBondContact NZ-OE1 3.01Å; K230-E477 VanDerWaalsContact NZ-OE1 3.15Å; K230-E477 IonicContact NZ-OE2 3.5Å; K230-E477 PolarHBondContact NZ-OE2 3.29Å; A333-E477 HydrophobicContact CB-CB 4.02Å; S336-E477 VanDerWaalsContact CB-OE2 3.23Å; S336-E477 WeakPolarHBondContact CB-OE2 3.49Å; S336-E477 PolarHBondContact OG-OE2 2.79Å; F475-E477 HydrophobicContact CE1-CG 4.47Å; F475-E477 HydrophobicContact CZ-CG 4.46Å; F475-E477 WeakPolarHBondContact CZ-OE1 3.38Å; E477-R479 HydrophobicContact CG-CG 3.86Å; E477-R479 PolarHBondContact O-N 3.3Å; E477-R479 IonicContact OE1-NE 3.29Å | ||
| 478 | I | 93.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 118.9 | 163.3 | -66.3 | 153.6 | 0 | 0 | 0 | 107.7 | Y281 V328 A331 L339 A439 Q441 F524 | Y281-I478 HydrophobicContact CE1-CD1 4.44Å; Y281-I478 WeakPolarHBondContact OH-CB 3.35Å; Y281-I478 WeakPolarHBondContact OH-CD1 3Å; V328-I478 HydrophobicContact CG1-CD1 4.35Å; A331-I478 HydrophobicContact CB-CD1 3.67Å; A331-I478 HydrophobicContact CB-CG1 3.82Å; L339-I478 HydrophobicContact CD1-CG2 4.12Å; L339-I478 HydrophobicContact CD2-CG2 3.74Å; L339-I478 HydrophobicContact CG-CG2 4.49Å; A439-I478 HydrophobicContact CB-CG2 3.78Å; Q441-I478 HydrophobicContact CB-CB 4.4Å; Q441-I478 HydrophobicContact CB-CG1 3.68Å; Q441-I478 HydrophobicContact CG-CG1 4.1Å; I478-F524 HydrophobicContact CB-CE2 4.46Å; I478-F524 HydrophobicContact CD1-CE1 4.24Å; I478-F524 HydrophobicContact CD1-CE2 3.77Å; I478-F524 HydrophobicContact CD1-CZ 3.37Å; I478-F524 HydrophobicContact CG1-CE2 3.75Å; I478-F524 HydrophobicContact CG1-CZ 3.92Å; I478-F524 HydrophobicContact CG2-CD2 3.99Å; I478-F524 HydrophobicContact CG2-CE2 3.77Å; I478-F524 HydrophobicContact CG2-CZ 4.31Å |
| 479 | R | 92.4 | Very high | 92.7 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.4 | 178.2 | -65.7 | -176.1 | 175.7 | 161.4 | 15.2 | 110.3 | T176 A439 S440 D468 E477 L481 | T176-R479 PolarHBondContact OG1-NH2 3.34Å; A439-R479 CarbonylContact C-O 3.53Å; A439-R479 WeakPolarHBondContact CA-O 3.16Å; A439-R479 WeakPolarHBondContact CB-O 3.4Å; S440-R479 PolarHBondContact N-O 2.93Å; S440-R479 PolarHBondContact O-N 2.9Å; D468-R479 IonicContact OD2-CZ 2.99Å; D468-R479 IonicContact OD2-NH1 2.91Å; D468-R479 PolarHBondContact OD2-NH1 3.18Å; D468-R479 IonicContact OD2-NH2 2.79Å; D468-R479 PolarHBondContact OD2-NH2 3.12Å; E477-R479 HydrophobicContact CG-CG 3.86Å; E477-R479 PolarHBondContact O-N 3.3Å; E477-R479 IonicContact OE1-NE 3.29Å; R479-L481 PolarHBondContact O-N 3.37Å |
| 480 | Q | 92.3 | Very high | 92.9 | Very high | 28 Ų | 28 | 33.1 Ų | 33.1 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 127.3 | 163.5 | -171.9 | 74.2 | 55.7 | 0 | 0 | 109 | S231 Y234 L339 T340 F438 | S231-Q480 WeakPolarHBondContact CB-O 3.49Å; Y234-Q480 HydrophobicContact CD2-CG 3.73Å; Y234-Q480 HydrophobicContact CE2-CG 4.14Å; L339-Q480 HydrophobicContact CD1-CB 4.05Å; T340-Q480 PolarHBondContact O-OE1 2.86Å; F438-Q480 PolarHBondContact O-NE2 2.87Å |
| 481 | L | 92 | Very high | 93.1 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 147 | 175.2 | -59 | 179.2 | 0 | 0 | 0 | 110.3 | S231 V437 F438 L465 R479 Q483 I485 | S231-L481 PolarHBondContact OG-O 2.82Å; V437-L481 HydrophobicContact CB-CD1 4.42Å; V437-L481 HydrophobicContact CG1-CD1 3.82Å; F438-L481 WeakPolarHBondContact O-CB 3.28Å; F438-L481 PolarHBondContact O-N 2.84Å; L465-L481 WeakPolarHBondContact O-CD2 3.25Å; R479-L481 PolarHBondContact O-N 3.37Å; L481-Q483 WeakPolarHBondContact CB-O 3.25Å; L481-Q483 PolarHBondContact O-N 2.04Å; L481-I485 HydrophobicContact CD1-CD1 3.85Å; L481-I485 HydrophobicContact CD1-CG1 4.02Å |
| 482 | D | 85.7 | Confident | 93.2 | Very high | 68 Ų | 68 | 31.3 Ų | 31.3 | 36% | 0.364 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | -30.3 | 177.9 | -66.4 | -44.4 | 0 | 0 | 0 | 112.1 | N174 S231 S233 | N174-D482 PolarHBondContact ND2-OD2 2.83Å; N174-D482 VanDerWaalsContact ND2-OD2 3.07Å; S231-D482 WeakPolarHBondContact OG-CA 3.49Å; S233-D482 PolarHBondContact OG-O 2.9Å |
| 483 | Q | 89.8 | Confident | 93.5 | Very high | 157 Ų | 157 | 31.4 Ų | 31.4 | 73% | 0.734 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 151 | 173.5 | -64.5 | -176.5 | -15.1 | 0 | 0 | 109 | L481 I485 | L481-Q483 WeakPolarHBondContact CB-O 3.25Å; L481-Q483 PolarHBondContact O-N 2.04Å; Q483-I485 PolarHBondContact O-N 2.83Å |
| 484 | Q | 94.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 30.9 Ų | 30.9 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.3 | 171.9 | -57.9 | -175 | 13.3 | 0 | 0 | 110.5 | Y234 V437 F438 Y526 | Y234-Q484 VanDerWaalsContact OH-CG 3.26Å; Y234-Q484 WeakPolarHBondContact OH-CG 3.33Å; Y234-Q484 PolarHBondContact OH-NE2 2.71Å; V437-Q484 CarbonylContact O-C 3.52Å; V437-Q484 VanDerWaalsContact O-CA 3.24Å; V437-Q484 WeakPolarHBondContact O-CA 3.49Å; F438-Q484 HydrophobicContact CB-CG 4.1Å; Q484-Y526 VanDerWaalsContact CD-OH 3.24Å; Q484-Y526 PolarHBondContact NE2-OH 2.76Å; Q484-Y526 VanDerWaalsContact OE1-CZ 3.29Å; Q484-Y526 PolarHBondContact OE1-OH 3.03Å |
| 485 | I | 96.6 | Very high | 94.5 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 17% | 0.174 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.9 | -177.3 | -56.7 | -177.6 | 0 | 0 | 0 | 109.1 | V437 L465 L481 Q483 I487 | V437-I485 HydrophobicContact CB-CB 4.48Å; V437-I485 PolarHBondContact N-O 2.79Å; V437-I485 PolarHBondContact O-N 2.95Å; L465-I485 HydrophobicContact CB-CD1 4.37Å; L465-I485 HydrophobicContact CG-CD1 4.26Å; L465-I485 WeakPolarHBondContact O-CD1 3.47Å; L481-I485 HydrophobicContact CD1-CD1 3.85Å; L481-I485 HydrophobicContact CD1-CG1 4.02Å; Q483-I485 PolarHBondContact O-N 2.83Å; I485-I487 HydrophobicContact CG2-CD1 3.74Å; I485-I487 PolarHBondContact O-N 3.23Å |
| 486 | Q | 98.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 28.8 Ų | 28.8 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111.5 | 177.7 | -172.3 | -176.9 | 31.4 | 0 | 0 | 111.2 | N433 I435 F436 H455 R457 K488 | N433-Q486 WeakPolarHBondContact O-CG 3.33Å; N433-Q486 PolarHBondContact O-NE2 3.31Å; I435-Q486 WeakPolarHBondContact O-CA 3.17Å; F436-Q486 HydrophobicContact CD1-CB 4.04Å; F436-Q486 HydrophobicContact CD1-CG 4.21Å; F436-Q486 HydrophobicContact CE1-CB 3.9Å; F436-Q486 HydrophobicContact CE1-CG 3.77Å; F436-Q486 HydrophobicContact CZ-CG 4.17Å; H455-Q486 PolarHBondContact CE1-O 2.57Å; R457-Q486 PolarHBondContact NH2-O 2.75Å; Q486-K488 HydrophobicContact CG-CG 4.2Å |
| 487 | I | 98.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.3 | 172.6 | -47.4 | -51.8 | 0 | 0 | 0 | 108.5 | L429 G434 I435 V437 H455 L465 I485 D491 L493 | L429-I487 HydrophobicContact CD1-CB 4.33Å; L429-I487 HydrophobicContact CD1-CG2 3.76Å; G434-I487 VanDerWaalsContact CA-O 3.25Å; G434-I487 WeakPolarHBondContact CA-O 3.43Å; I435-I487 HydrophobicContact CD1-CB 4.48Å; I435-I487 HydrophobicContact CG1-CB 3.92Å; I435-I487 HydrophobicContact CG1-CG1 4.39Å; I435-I487 PolarHBondContact N-O 2.93Å; I435-I487 PolarHBondContact O-N 2.89Å; V437-I487 HydrophobicContact CG2-CG1 3.82Å; H455-I487 WeakPolarHBondContact CE1-CD1 3.45Å; L465-I487 HydrophobicContact CD1-CD1 4.29Å; I485-I487 HydrophobicContact CG2-CD1 3.74Å; I485-I487 PolarHBondContact O-N 3.23Å; I487-D491 HydrophobicContact CG2-CB 4.05Å; I487-L493 HydrophobicContact CD1-CD2 3.98Å; I487-L493 HydrophobicContact CG2-CD1 4.34Å |
| 488 | K | 98.5 | Very high | 95.7 | Very high | 72 Ų | 72 | 28.3 Ų | 28.3 | 31% | 0.313 | 14% | 0.142 | S | C | . | . | P | Polyproline II helix | trans | -101.2 | 155.7 | -176.6 | -71.6 | -175.2 | -177.2 | 179.7 | 0 | 111.6 | Q486 G490 D491 | Q486-K488 HydrophobicContact CG-CG 4.2Å; K488-G490 PolarHBondContact O-N 2.79Å; K488-D491 PolarHBondContact N-OD2 3.05Å; K488-D491 VanDerWaalsContact O-CB 3.3Å; K488-D491 WeakPolarHBondContact O-CB 3.36Å; K488-D491 VanDerWaalsContact O-CG 3.25Å; K488-D491 PolarHBondContact O-N 3.42Å |
| 489 | P | 98.2 | Very high | 95.9 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.3 | 169.3 | -22.9 | 31.6 | 0 | 0 | 0 | 110.8 | L429 K431 | L429-P489 HydrophobicContact CB-CB 4.47Å; L429-P489 HydrophobicContact CB-CG 3.99Å; K431-P489 HydrophobicContact CG-CB 4.39Å; K431-P489 HydrophobicContact CG-CG 3.96Å |
| 490 | G | 97.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -5.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S422 T425 K488 | S422-G490 WeakPolarHBondContact CB-O 3.43Å; S422-G490 WeakPolarHBondContact O-CA 3.46Å; T425-G490 PolarHBondContact OG1-N 2.94Å; K488-G490 PolarHBondContact O-N 2.79Å |
| 491 | D | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | trans | -74.1 | 151.1 | 172.4 | -67.6 | -6.9 | 0 | 0 | 0 | 111.2 | S422 T425 H455 I456 R457 I487 K488 | S422-D491 WeakPolarHBondContact CA-O 3.36Å; T425-D491 WeakPolarHBondContact CB-O 3.17Å; T425-D491 WeakPolarHBondContact CG2-O 3.36Å; T425-D491 PolarHBondContact OG1-N 3.18Å; T425-D491 PolarHBondContact OG1-O 3.15Å; H455-D491 IonicContact CD2-OD2 3.2Å; H455-D491 IonicContact CE1-OD2 2.89Å; H455-D491 IonicContact NE2-OD2 3.65Å; H455-D491 PolarHBondContact NE2-OD2 3.2Å; I456-D491 CarbonylContact O-C 3.56Å; I456-D491 WeakPolarHBondContact O-CA 3.31Å; R457-D491 WeakPolarHBondContact CB-OD1 3.28Å; R457-D491 VanDerWaalsContact CG-OD1 3.28Å; R457-D491 WeakPolarHBondContact CG-OD1 3.39Å; R457-D491 IonicContact CZ-OD1 3.56Å; R457-D491 IonicContact CZ-OD2 2.65Å; R457-D491 IonicContact NE-OD1 3.34Å; R457-D491 PolarHBondContact NE-OD1 3.1Å; R457-D491 IonicContact NE-OD2 3.19Å; R457-D491 PolarHBondContact NE-OD2 3.42Å; R457-D491 IonicContact NH2-OD1 2.8Å; R457-D491 IonicContact NH2-OD2 3.9Å; R457-D491 PolarHBondContact NH2-OD2 3.06Å; I487-D491 HydrophobicContact CG2-CB 4.05Å; K488-D491 PolarHBondContact N-OD2 3.05Å; K488-D491 VanDerWaalsContact O-CB 3.3Å; K488-D491 WeakPolarHBondContact O-CB 3.36Å; K488-D491 VanDerWaalsContact O-CG 3.25Å; K488-D491 PolarHBondContact O-N 3.42Å | ||
| 492 | T | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.3 | 172.2 | -66 | 0 | 0 | 0 | 0 | 109.6 | C420 S422 I456 I494 E610 | C420-T492 WeakPolarHBondContact O-CA 3.37Å; S422-T492 PolarHBondContact N-OG1 2.66Å; S422-T492 VanDerWaalsContact N-OG1 3.08Å; I456-T492 PolarHBondContact N-O 3.37Å; I456-T492 PolarHBondContact O-N 2.88Å; T492-I494 HydrophobicContact CG2-CD1 4.25Å; T492-I494 HydrophobicContact CG2-CG1 3.8Å; T492-E610 WeakPolarHBondContact CB-OE2 3.17Å; T492-E610 HydrophobicContact CG2-CB 4.29Å; T492-E610 WeakPolarHBondContact CG2-OE2 3.46Å; T492-E610 PolarHBondContact OG1-OE2 2.93Å |
| 493 | L | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.1 | 170 | -54.9 | 171.7 | 0 | 0 | 0 | 109.3 | L397 C420 T453 Y454 H455 L465 I487 | L397-L493 HydrophobicContact CD1-CB 4.2Å; L397-L493 HydrophobicContact CD1-CD1 3.66Å; L397-L493 HydrophobicContact CD2-CD1 4.04Å; C420-L493 HydrophobicContact CB-CB 4.04Å; C420-L493 PolarHBondContact N-O 3.18Å; C420-L493 PolarHBondContact O-N 2.97Å; T453-L493 HydrophobicContact CG2-CB 4.38Å; Y454-L493 WeakPolarHBondContact O-CA 3.44Å; H455-L493 HydrophobicContact CB-CD2 4.12Å; L465-L493 HydrophobicContact CD1-CD1 4.37Å; L465-L493 HydrophobicContact CD1-CD2 4.14Å; I487-L493 HydrophobicContact CD1-CD2 3.98Å; I487-L493 HydrophobicContact CG2-CD1 4.34Å |
| 494 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 112.2 | -179.7 | -49.1 | 177.9 | 0 | 0 | 0 | 108.4 | G418 Y419 T453 Y454 I456 T492 E610 I612 | G418-I494 CarbonylContact O-C 3.57Å; G418-I494 WeakPolarHBondContact O-CA 3.18Å; Y419-I494 HydrophobicContact CD1-CB 4.34Å; Y419-I494 HydrophobicContact CD1-CD1 3.96Å; Y419-I494 HydrophobicContact CD1-CG1 3.74Å; Y419-I494 HydrophobicContact CD1-CG2 3.88Å; Y419-I494 HydrophobicContact CE1-CB 4.47Å; Y419-I494 HydrophobicContact CE1-CD1 3.81Å; Y419-I494 HydrophobicContact CE1-CG1 4.02Å; Y419-I494 HydrophobicContact CE1-CG2 3.68Å; T453-I494 CarbonylContact C-O 3.58Å; T453-I494 VanDerWaalsContact CA-O 3.29Å; T453-I494 WeakPolarHBondContact CA-O 3.22Å; Y454-I494 HydrophobicContact CD2-CB 4.29Å; Y454-I494 WeakPolarHBondContact CD2-O 3.33Å; Y454-I494 PolarHBondContact N-O 3.44Å; Y454-I494 PolarHBondContact O-N 2.72Å; I456-I494 HydrophobicContact CD1-CD1 3.49Å; I456-I494 VanDerWaalsContact CD1-CD1 3.49Å; I456-I494 HydrophobicContact CD1-CG1 4.29Å; T492-I494 HydrophobicContact CG2-CD1 4.25Å; T492-I494 HydrophobicContact CG2-CG1 3.8Å; I494-E610 HydrophobicContact CD1-CB 4.31Å; I494-I612 HydrophobicContact CB-CD1 4.47Å; I494-I612 HydrophobicContact CD1-CD1 4.24Å; I494-I612 HydrophobicContact CD1-CG1 3.59Å; I494-I612 HydrophobicContact CG2-CD1 3.99Å; I494-I612 HydrophobicContact CG2-CG1 4.48Å |
| 495 | T | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.8 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 109 | S417 G418 V451 V452 T453 N521 | S417-T495 CarbonylContact C-O 3.45Å; S417-T495 WeakPolarHBondContact CA-O 3.4Å; G418-T495 PolarHBondContact N-O 3.07Å; G418-T495 PolarHBondContact O-N 2.77Å; V451-T495 HydrophobicContact CG1-CG2 4.24Å; V452-T495 CarbonylContact O-C 3.51Å; V452-T495 WeakPolarHBondContact O-CA 3.45Å; T453-T495 PolarHBondContact OG1-OG1 2.74Å; T495-N521 HydrophobicContact CG2-CB 4.07Å |
| 496 | R | 97.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132 | 177.2 | 179.2 | 179.5 | -67.3 | 165.8 | -7.7 | 110 | F415 L416 S417 V451 V452 Y454 D615 | F415-R496 HydrophobicContact CB-CG 4.01Å; F415-R496 HydrophobicContact CD2-CG 4.37Å; F415-R496 HydrophobicContact CG-CG 4.47Å; L416-R496 WeakPolarHBondContact O-CA 3.49Å; L416-R496 WeakPolarHBondContact O-CG 3.5Å; S417-R496 WeakPolarHBondContact OG-CB 3.47Å; S417-R496 WeakPolarHBondContact OG-CG 3.45Å; S417-R496 PolarHBondContact OG-NE 3.28Å; S417-R496 VanDerWaalsContact OG-NE 3.11Å; V451-R496 WeakPolarHBondContact CA-O 3.43Å; V452-R496 HydrophobicContact CG1-CB 4.01Å; V452-R496 PolarHBondContact N-O 3.41Å; V452-R496 PolarHBondContact O-N 3.34Å; Y454-R496 HydrophobicContact CE2-CB 4.14Å; R496-D615 IonicContact CZ-OD1 3.69Å; R496-D615 IonicContact CZ-OD2 2.64Å; R496-D615 VanDerWaalsContact CZ-OD2 3.26Å; R496-D615 IonicContact NH1-OD1 3.83Å; R496-D615 PolarHBondContact NH1-OD1 3.4Å; R496-D615 IonicContact NH1-OD2 2.95Å; R496-D615 PolarHBondContact NH1-OD2 3.15Å; R496-D615 IonicContact NH2-OD1 2.7Å; R496-D615 IonicContact NH2-OD2 3.21Å; R496-D615 PolarHBondContact NH2-OD2 3.09Å |
| 497 | C | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.3 | 173.1 | -53.1 | 0 | 0 | 0 | 0 | 109.3 | F415 L416 T444 K450 V451 Y499 C519 | F415-C497 CarbonylContact C-O 3.58Å; F415-C497 WeakPolarHBondContact CA-O 3.34Å; F415-C497 WeakPolarHBondContact CB-O 3.38Å; L416-C497 PolarHBondContact N-O 2.8Å; L416-C497 PolarHBondContact O-N 3.1Å; T444-C497 HydrophobicContact CG2-CB 4.17Å; K450-C497 CarbonylContact O-C 3.51Å; K450-C497 WeakPolarHBondContact O-CA 3.06Å; V451-C497 HydrophobicContact CG2-CB 4.41Å; C497-Y499 HydrophobicContact CB-CE1 4.26Å; C497-Y499 HydrophobicContact CB-CE2 3.86Å; C497-Y499 WeakPolarHBondContact CB-OH 3.36Å; C497-C519 HydrophobicContact CB-CB 3.76Å; C497-C519 WeakPolarHBondContact CB-SG 3.5Å; C497-C519 PolarHBondContact N-SG 3.17Å; C497-C519 VanDerWaalsContact N-SG 3.37Å; C497-C519 WeakPolarHBondContact SG-CA 3.28Å; C497-C519 WeakPolarHBondContact SG-CB 3.4Å; C497-C519 CovalentContact SG-SG 2.04Å; C497-C519 PolarHBondContact SG-SG 3.13Å |
| 498 | T | 97.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.1 | 174.1 | -54.1 | 0 | 0 | 0 | 0 | 108.9 | N413 F414 I449 K450 | N413-T498 VanDerWaalsContact OD1-CG2 3.24Å; N413-T498 WeakPolarHBondContact OD1-CG2 3.31Å; F414-T498 WeakPolarHBondContact O-CA 3.37Å; I449-T498 HydrophobicContact CD1-CG2 4.07Å; I449-T498 HydrophobicContact CG1-CG2 4.09Å; I449-T498 VanDerWaalsContact CG1-O 3.29Å; I449-T498 WeakPolarHBondContact CG1-O 3.14Å; I449-T498 PolarHBondContact N-O 3.41Å; K450-T498 PolarHBondContact N-O 3.11Å; K450-T498 PolarHBondContact O-N 2.95Å |
| 499 | Y | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.3 | -173.6 | -54.3 | -83.5 | 0 | 0 | 0 | 112.5 | I407 F414 L416 T444 T447 C497 E517 M518 C519 | I407-Y499 HydrophobicContact CD1-CD1 3.76Å; I407-Y499 HydrophobicContact CD1-CD2 3.43Å; I407-Y499 VanDerWaalsContact CD1-CD2 3.43Å; I407-Y499 HydrophobicContact CD1-CE1 4.17Å; I407-Y499 HydrophobicContact CD1-CE2 3.87Å; I407-Y499 HydrophobicContact CD1-CG 3.36Å; I407-Y499 HydrophobicContact CG1-CD2 3.98Å; I407-Y499 HydrophobicContact CG1-CE2 4.44Å; I407-Y499 HydrophobicContact CG1-CG 4.29Å; F414-Y499 PolarHBondContact N-O 2.94Å; F414-Y499 VanDerWaalsContact N-O 3.1Å; F414-Y499 WeakPolarHBondContact O-CD2 3.48Å; F414-Y499 PolarHBondContact O-N 3.05Å; L416-Y499 HydrophobicContact CB-CE2 4.1Å; L416-Y499 HydrophobicContact CD1-CD2 4.49Å; L416-Y499 HydrophobicContact CD1-CE2 3.87Å; L416-Y499 HydrophobicContact CG-CE2 4.14Å; T444-Y499 HydrophobicContact CG2-CE1 4.36Å; T447-Y499 CarbonylContact O-C 3.6Å; T447-Y499 WeakPolarHBondContact O-CA 3.49Å; T447-Y499 WeakPolarHBondContact OG1-CD1 3.35Å; C497-Y499 HydrophobicContact CB-CE1 4.26Å; C497-Y499 HydrophobicContact CB-CE2 3.86Å; C497-Y499 WeakPolarHBondContact CB-OH 3.36Å; Y499-E517 HydrophobicContact CD1-CG 4Å; Y499-E517 HydrophobicContact CE1-CB 4.19Å; Y499-E517 HydrophobicContact CE1-CG 3.87Å; Y499-E517 VanDerWaalsContact CE1-OE2 3.31Å; Y499-E517 WeakPolarHBondContact CE1-OE2 3.27Å; Y499-M518 PolarHBondContact OH-O 3.29Å; Y499-C519 VanDerWaalsContact OH-CB 3.25Å; Y499-C519 WeakPolarHBondContact OH-CB 3.41Å |
| 500 | D | 96.6 | Very high | 96.6 | Very high | 57 Ų | 57 | 31.8 Ų | 31.8 | 31% | 0.305 | 17% | 0.166 | S | C | . | . | trans | -114.2 | 105.8 | 167.8 | -175 | -5 | 0 | 0 | 0 | 110.7 | Q411 T447 I449 S502 | Q411-D500 CarbonylContact O-C 3.33Å; Q411-D500 WeakPolarHBondContact O-CA 3.2Å; T447-D500 WeakPolarHBondContact CB-O 3.07Å; T447-D500 PolarHBondContact O-N 3.24Å; I449-D500 HydrophobicContact CD1-CB 4.29Å; I449-D500 HydrophobicContact CG2-CB 3.94Å; D500-S502 WeakPolarHBondContact OD1-CA 3.38Å; D500-S502 WeakPolarHBondContact OD1-CB 3.32Å; D500-S502 PolarHBondContact OD1-N 3.42Å; D500-S502 PolarHBondContact OD1-OG 3.33Å; D500-S502 PolarHBondContact OD2-OG 3.13Å | ||
| 501 | T | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -107.1 | 18.4 | 172.8 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | I407 P408 K410 Q411 T447 Q503 K504 | I407-T501 HydrophobicContact CB-CG2 4.08Å; I407-T501 HydrophobicContact CG2-CG2 3.51Å; P408-T501 PolarHBondContact O-OG1 2.96Å; K410-T501 WeakPolarHBondContact CA-O 3.26Å; K410-T501 PolarHBondContact N-O 3.44Å; Q411-T501 WeakPolarHBondContact CB-OG1 2.99Å; Q411-T501 PolarHBondContact N-OG1 2.64Å; Q411-T501 CarbonylContact O-C 3.52Å; Q411-T501 PolarHBondContact O-N 2.85Å; Q411-T501 PolarHBondContact O-OG1 2.95Å; T447-T501 HydrophobicContact CG2-CG2 4.24Å; T501-Q503 PolarHBondContact O-N 3.25Å; T501-K504 WeakPolarHBondContact O-CB 3.47Å; T501-K504 PolarHBondContact O-N 3.08Å | ||
| 502 | S | 96.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -36.4 | 179.7 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | K410 Q411 D500 | K410-S502 WeakPolarHBondContact CD-O 3.07Å; K410-S502 PolarHBondContact NZ-O 2.7Å; K410-S502 VanDerWaalsContact NZ-O 3.11Å; Q411-S502 PolarHBondContact O-N 2.89Å; D500-S502 WeakPolarHBondContact OD1-CA 3.38Å; D500-S502 WeakPolarHBondContact OD1-CB 3.32Å; D500-S502 PolarHBondContact OD1-N 3.42Å; D500-S502 PolarHBondContact OD1-OG 3.33Å; D500-S502 PolarHBondContact OD2-OG 3.13Å |
| 503 | Q | 94.2 | Very high | 94.6 | Very high | 163 Ų | 163 | 43.9 Ų | 43.9 | 76% | 0.762 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12 | 179.5 | -55.9 | -51.9 | -40.7 | 0 | 0 | 113.8 | T501 | T501-Q503 PolarHBondContact O-N 3.25Š|
| 504 | K | 94.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | trans | -79.5 | 152.1 | 178.1 | -60.8 | -76 | -174 | 168.7 | 0 | 110.6 | F409 K410 T447 T501 | F409-K504 HydrophobicContact CB-CB 4.44Å; K410-K504 WeakPolarHBondContact CD-O 3.12Å; K410-K504 WeakPolarHBondContact CE-O 3.36Å; K410-K504 PolarHBondContact NZ-O 3.5Å; T447-K504 HydrophobicContact CG2-CG 4.44Å; T501-K504 WeakPolarHBondContact O-CB 3.47Å; T501-K504 PolarHBondContact O-N 3.08Å | ||
| 505 | N | 94.4 | Very high | 92.7 | Very high | 125 Ų | 125 | 52 Ų | 52 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -115.9 | 4.5 | 175.5 | -64.3 | -34.8 | 0 | 0 | 0 | 112.7 | K410 | K410-N505 WeakPolarHBondContact CE-OD1 3.04Å; K410-N505 PolarHBondContact NZ-OD1 3.3Å |
| 506 | Q | 94.4 | Very high | 92.3 | Very high | 130 Ų | 130 | 53.5 Ų | 53.5 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -141.8 | 157.6 | -176.9 | 65.2 | -174.1 | -13.9 | 0 | 0 | 110 | F409 | F409-Q506 WeakPolarHBondContact CB-O 3.48Š|
| 507 | I | 96.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | trans | -58.3 | 138.1 | 176 | -56 | -61.9 | 0 | 0 | 0 | 110.1 | F406 P408 F409 F509 V566 W571 | F406-I507 HydrophobicContact CB-CG2 3.8Å; F406-I507 HydrophobicContact CD2-CG2 3.95Å; F406-I507 HydrophobicContact CG-CG2 4.17Å; P408-I507 HydrophobicContact CB-CD1 4.37Å; F409-I507 HydrophobicContact CD1-CD1 3.91Å; F409-I507 HydrophobicContact CE1-CD1 4.37Å; I507-F509 HydrophobicContact CB-CD2 4.46Å; I507-F509 HydrophobicContact CB-CE2 3.87Å; I507-F509 HydrophobicContact CB-CZ 4.05Å; I507-F509 HydrophobicContact CG2-CD1 4.26Å; I507-F509 HydrophobicContact CG2-CD2 4.09Å; I507-F509 HydrophobicContact CG2-CE1 3.94Å; I507-F509 HydrophobicContact CG2-CE2 3.75Å; I507-F509 HydrophobicContact CG2-CG 4.33Å; I507-F509 HydrophobicContact CG2-CZ 3.67Å; I507-V566 HydrophobicContact CB-CG1 4.49Å; I507-V566 HydrophobicContact CG1-CG1 4.09Å; I507-V566 HydrophobicContact CG2-CG1 3.92Å; I507-W571 HydrophobicContact CD1-CG 4.17Å | ||
| 508 | T | 96.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.9 | 173.2 | -53.1 | 0 | 0 | 0 | 0 | 107.6 | F406 I407 E517 | F406-T508 CarbonylContact C-O 3.58Å; F406-T508 VanDerWaalsContact CA-O 3.32Å; F406-T508 WeakPolarHBondContact CA-O 3.29Å; I407-T508 HydrophobicContact CD1-CG2 4.5Å; I407-T508 PolarHBondContact N-O 3.36Å; I407-T508 PolarHBondContact O-N 2.99Å; T508-E517 HydrophobicContact CG2-CB 4.02Å; T508-E517 HydrophobicContact CG2-CG 3.54Å |
| 509 | F | 96.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 154 | -179.7 | -68.3 | -82.1 | 0 | 0 | 0 | 110.8 | P403 F406 I507 D516 E517 M563 V566 | P403-F509 HydrophobicContact CB-CB 4.28Å; P403-F509 HydrophobicContact CB-CD1 3.76Å; P403-F509 HydrophobicContact CB-CG 4.29Å; F406-F509 HydrophobicContact CB-CD1 3.72Å; F406-F509 HydrophobicContact CB-CE1 4.11Å; F406-F509 HydrophobicContact CB-CG 4.4Å; F406-F509 HydrophobicContact CG-CD1 4.4Å; F406-F509 HydrophobicContact CG-CE1 4.36Å; I507-F509 HydrophobicContact CB-CD2 4.46Å; I507-F509 HydrophobicContact CB-CE2 3.87Å; I507-F509 HydrophobicContact CB-CZ 4.05Å; I507-F509 HydrophobicContact CG2-CD1 4.26Å; I507-F509 HydrophobicContact CG2-CD2 4.09Å; I507-F509 HydrophobicContact CG2-CE1 3.94Å; I507-F509 HydrophobicContact CG2-CE2 3.75Å; I507-F509 HydrophobicContact CG2-CG 4.33Å; I507-F509 HydrophobicContact CG2-CZ 3.67Å; F509-D516 CarbonylContact O-C 3.09Å; F509-D516 WeakPolarHBondContact O-CA 3.4Å; F509-D516 VanDerWaalsContact O-CB 3.24Å; F509-D516 WeakPolarHBondContact O-CB 3.49Å; F509-E517 PolarHBondContact O-N 2.73Å; F509-M563 HydrophobicContact CD1-CG 4.15Å; F509-M563 HydrophobicContact CD2-CG 4.43Å; F509-M563 HydrophobicContact CE1-CB 4.25Å; F509-M563 HydrophobicContact CE1-CG 3.94Å; F509-M563 HydrophobicContact CE2-CB 4.31Å; F509-M563 HydrophobicContact CE2-CG 4.23Å; F509-M563 HydrophobicContact CG-CG 4.39Å; F509-M563 HydrophobicContact CZ-CB 3.92Å; F509-M563 HydrophobicContact CZ-CG 3.98Å; F509-V566 HydrophobicContact CE1-CB 3.93Å; F509-V566 HydrophobicContact CE1-CG1 3.73Å; F509-V566 HydrophobicContact CE1-CG2 4.35Å; F509-V566 HydrophobicContact CZ-CB 3.99Å; F509-V566 HydrophobicContact CZ-CG1 3.77Å |
| 510 | G | 95.1 | Very high | 92 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 138.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T402 N405 E517 | T402-G510 CarbonylContact C-O 3.58Å; T402-G510 CarbonylContact O-C 3.44Å; T402-G510 VanDerWaalsContact O-CA 3.23Å; T402-G510 WeakPolarHBondContact O-CA 3.03Å; T402-G510 VanDerWaalsContact O-O 3.06Å; N405-G510 PolarHBondContact O-N 2.81Å; G510-E517 VanDerWaalsContact CA-O 3.31Å; G510-E517 WeakPolarHBondContact CA-O 3.37Å |
| 511 | G | 90.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 171.7 | -177 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | D516 E517 M518 | G511-D516 WeakPolarHBondContact CA-OD2 3.04Å; G511-E517 PolarHBondContact N-O 2.9Å; G511-M518 WeakPolarHBondContact O-CE 3.48Å; G511-M518 WeakPolarHBondContact O-CG 3.46Å |
| 512 | I | 82 | Confident | 92 | Very high | 80 Ų | 80 | 51 Ų | 51 | 41% | 0.41 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -91.5 | -20.7 | -174 | -59.4 | 168.6 | 0 | 0 | 0 | 111.6 | I323 Y401 D516 M518 | I323-I512 HydrophobicContact CG2-CD1 4.22Å; I323-I512 HydrophobicContact CG2-CG2 4.22Å; Y401-I512 HydrophobicContact CD2-CG1 4.25Å; Y401-I512 HydrophobicContact CG-CG1 4.32Å; I512-D516 PolarHBondContact N-OD2 2.79Å; I512-M518 HydrophobicContact CB-CE 4.33Å; I512-M518 HydrophobicContact CG1-CE 4.35Å; I512-M518 HydrophobicContact CG2-CE 4.44Å |
| 513 | R | 77.6 | Confident | 92.1 | Very high | 194 Ų | 194 | 49.5 Ų | 49.5 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -77.4 | 152 | -174.3 | -55.2 | 171.8 | 174.9 | -179.1 | -1.7 | 109.8 | H445 N515 D516 | H445-R513 PolarHBondContact CE1-O 2.81Å; H445-R513 PolarHBondContact ND1-O 2.92Å; H445-R513 VanDerWaalsContact ND1-O 3.08Å; R513-N515 PolarHBondContact O-N 2.83Å; R513-D516 HydrophobicContact CB-CB 4.48Å; R513-D516 VanDerWaalsContact CB-OD2 3.23Å; R513-D516 WeakPolarHBondContact CB-OD2 3.27Å; R513-D516 WeakPolarHBondContact CG-OD2 3.29Å; R513-D516 PolarHBondContact N-OD2 2.82Å; R513-D516 WeakPolarHBondContact O-CA 3.37Å; R513-D516 VanDerWaalsContact O-CB 3.25Å; R513-D516 WeakPolarHBondContact O-CB 3.4Å; R513-D516 PolarHBondContact O-N 2.88Å |
| 514 | I | 75.4 | Confident | 92.2 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -25.7 | 176.6 | -168.5 | 159.8 | 0 | 0 | 0 | 114.6 | L446 | L446-I514 HydrophobicContact CD1-CG1 4.16Å; L446-I514 HydrophobicContact CG-CG1 4.38Å |
| 515 | N | 80.8 | Confident | 92.4 | Very high | 103 Ų | 103 | 39.4 Ų | 39.4 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -12 | 176.9 | -72.3 | -33.4 | 0 | 0 | 0 | 113.6 | R513 | R513-N515 PolarHBondContact O-N 2.83Š|
| 516 | D | 90.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -81.4 | -175.8 | 168.2 | -55 | -27 | 0 | 0 | 0 | 108.5 | H445 F509 G511 I512 R513 | H445-D516 WeakPolarHBondContact CB-O 3.26Å; H445-D516 VanDerWaalsContact ND1-C 3.34Å; H445-D516 PolarHBondContact ND1-O 2.89Å; F509-D516 CarbonylContact O-C 3.09Å; F509-D516 WeakPolarHBondContact O-CA 3.4Å; F509-D516 VanDerWaalsContact O-CB 3.24Å; F509-D516 WeakPolarHBondContact O-CB 3.49Å; G511-D516 WeakPolarHBondContact CA-OD2 3.04Å; I512-D516 PolarHBondContact N-OD2 2.79Å; R513-D516 HydrophobicContact CB-CB 4.48Å; R513-D516 VanDerWaalsContact CB-OD2 3.23Å; R513-D516 WeakPolarHBondContact CB-OD2 3.27Å; R513-D516 WeakPolarHBondContact CG-OD2 3.29Å; R513-D516 PolarHBondContact N-OD2 2.82Å; R513-D516 WeakPolarHBondContact O-CA 3.37Å; R513-D516 VanDerWaalsContact O-CB 3.25Å; R513-D516 WeakPolarHBondContact O-CB 3.4Å; R513-D516 PolarHBondContact O-N 2.88Å |
| 517 | E | 95.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 159.5 | 172.1 | -93 | -62.3 | 167.4 | 0 | 0 | 114.1 | I407 H445 L446 T447 Y499 T508 F509 G510 G511 | I407-E517 HydrophobicContact CD1-CB 4.1Å; I407-E517 HydrophobicContact CD1-CG 3.88Å; H445-E517 WeakPolarHBondContact CA-OE2 3.12Å; H445-E517 WeakPolarHBondContact CB-OE2 3.02Å; H445-E517 PolarHBondContact N-OE2 2.03Å; L446-E517 PolarHBondContact N-OE1 3.48Å; T447-E517 WeakPolarHBondContact CA-OE1 3.39Å; T447-E517 WeakPolarHBondContact CB-OE1 3.36Å; T447-E517 PolarHBondContact N-OE1 2.65Å; T447-E517 VanDerWaalsContact OG1-CG 3.22Å; T447-E517 WeakPolarHBondContact OG1-CG 3.35Å; T447-E517 PolarHBondContact OG1-OE1 3.14Å; Y499-E517 HydrophobicContact CD1-CG 4Å; Y499-E517 HydrophobicContact CE1-CB 4.19Å; Y499-E517 HydrophobicContact CE1-CG 3.87Å; Y499-E517 VanDerWaalsContact CE1-OE2 3.31Å; Y499-E517 WeakPolarHBondContact CE1-OE2 3.27Å; T508-E517 HydrophobicContact CG2-CB 4.02Å; T508-E517 HydrophobicContact CG2-CG 3.54Å; F509-E517 PolarHBondContact O-N 2.73Å; G510-E517 VanDerWaalsContact CA-O 3.31Å; G510-E517 WeakPolarHBondContact CA-O 3.37Å; G511-E517 PolarHBondContact N-O 2.9Å |
| 518 | M | 95.5 | Very high | 92.8 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | trans | -131.8 | 156 | 172.5 | -72.2 | -165 | -171.8 | 0 | 0 | 110.8 | Y401 T444 H445 Y499 G511 I512 L520 | Y401-M518 HydrophobicContact CD1-CE 4.01Å; Y401-M518 HydrophobicContact CD1-CG 4.06Å; Y401-M518 HydrophobicContact CD1-SD 3.98Å; Y401-M518 HydrophobicContact CE1-CE 4.01Å; Y401-M518 HydrophobicContact CE1-CG 4.11Å; Y401-M518 HydrophobicContact CE1-SD 3.59Å; Y401-M518 VanDerWaalsContact CE1-SD 3.59Å; Y401-M518 HydrophobicContact CG-CE 4.4Å; T444-M518 WeakPolarHBondContact CA-O 3.22Å; T444-M518 WeakPolarHBondContact CB-O 3.22Å; H445-M518 WeakPolarHBondContact NE2-CG 3.35Å; Y499-M518 PolarHBondContact OH-O 3.29Å; G511-M518 WeakPolarHBondContact O-CE 3.48Å; G511-M518 WeakPolarHBondContact O-CG 3.46Å; I512-M518 HydrophobicContact CB-CE 4.33Å; I512-M518 HydrophobicContact CG1-CE 4.35Å; I512-M518 HydrophobicContact CG2-CE 4.44Å; M518-L520 HydrophobicContact CB-CG 4.42Å; M518-L520 HydrophobicContact SD-CD1 3.83Å | ||
| 519 | C | 97.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -135.7 | 102.1 | 167.9 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | G398 L399 C497 Y499 | G398-C519 WeakPolarHBondContact CA-O 3.38Å; L399-C519 HydrophobicContact CB-CB 4.11Å; L399-C519 HydrophobicContact CD1-CB 3.65Å; L399-C519 HydrophobicContact CG-CB 3.95Å; L399-C519 PolarHBondContact N-O 2.91Å; C497-C519 HydrophobicContact CB-CB 3.76Å; C497-C519 WeakPolarHBondContact CB-SG 3.5Å; C497-C519 PolarHBondContact N-SG 3.17Å; C497-C519 VanDerWaalsContact N-SG 3.37Å; C497-C519 WeakPolarHBondContact SG-CA 3.28Å; C497-C519 WeakPolarHBondContact SG-CB 3.4Å; C497-C519 CovalentContact SG-SG 2.04Å; C497-C519 PolarHBondContact SG-SG 3.13Å; Y499-C519 VanDerWaalsContact OH-CB 3.25Å; Y499-C519 WeakPolarHBondContact OH-CB 3.41Å | ||
| 520 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.7 | -172.5 | -62.6 | 179.3 | 0 | 0 | 0 | 113.3 | L397 Y401 H443 M518 Y522 K535 | L397-L520 WeakPolarHBondContact O-CA 3.29Å; Y401-L520 HydrophobicContact CE1-CD1 3.79Å; Y401-L520 HydrophobicContact CE1-CD2 3.8Å; Y401-L520 HydrophobicContact CE1-CG 4.13Å; Y401-L520 VanDerWaalsContact OH-CD1 3.22Å; Y401-L520 WeakPolarHBondContact OH-CD1 3.39Å; H443-L520 HydrophobicContact CB-CB 4.11Å; H443-L520 PolarHBondContact N-O 3.06Å; H443-L520 PolarHBondContact O-N 2.9Å; M518-L520 HydrophobicContact CB-CG 4.42Å; M518-L520 HydrophobicContact SD-CD1 3.83Å; L520-Y522 HydrophobicContact CB-CE2 4.27Å; L520-Y522 HydrophobicContact CD1-CE2 3.94Å; L520-Y522 WeakPolarHBondContact CD1-OH 3.37Å; L520-K535 HydrophobicContact CD2-CD 4.37Å; L520-K535 VanDerWaalsContact CD2-CE 3.4Å |
| 521 | N | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 116.8 | 158.9 | -178.5 | -8.5 | 0 | 0 | 0 | 108.9 | L397 S440 Q441 L442 T453 T495 | L397-N521 HydrophobicContact CB-CB 4.33Å; L397-N521 WeakPolarHBondContact CB-O 3.49Å; L397-N521 PolarHBondContact N-O 2.92Å; L397-N521 PolarHBondContact O-N 2.55Å; S440-N521 PolarHBondContact OG-ND2 3.24Å; S440-N521 VanDerWaalsContact OG-ND2 3.1Å; S440-N521 PolarHBondContact OG-OD1 2.8Å; Q441-N521 CarbonylContact O-C 3.46Å; Q441-N521 WeakPolarHBondContact O-CA 3.35Å; Q441-N521 PolarHBondContact O-OD1 3.34Å; L442-N521 HydrophobicContact CD2-CB 4.02Å; T453-N521 WeakPolarHBondContact CB-ND2 3.31Å; T453-N521 WeakPolarHBondContact OG1-CB 3.25Å; T453-N521 PolarHBondContact OG1-ND2 2.82Å; T495-N521 HydrophobicContact CG2-CB 4.07Å |
| 522 | Y | 96.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.6 | 169.9 | -59.9 | -92.1 | 0 | 0 | 0 | 108.9 | V328 I394 M395 E396 S440 Q441 H443 L520 | V328-Y522 HydrophobicContact CG2-CE1 4.21Å; V328-Y522 HydrophobicContact CG2-CE2 4.27Å; I394-Y522 HydrophobicContact CG2-CD1 4.22Å; M395-Y522 WeakPolarHBondContact O-CA 3.41Å; E396-Y522 HydrophobicContact CG-CD1 3.73Å; E396-Y522 HydrophobicContact CG-CE1 3.54Å; S440-Y522 CarbonylContact C-O 3.55Å; S440-Y522 VanDerWaalsContact CA-O 3.24Å; S440-Y522 WeakPolarHBondContact CA-O 3.29Å; Q441-Y522 HydrophobicContact CB-CD2 4.45Å; Q441-Y522 PolarHBondContact N-O 2.04Å; Q441-Y522 PolarHBondContact O-N 2.99Å; H443-Y522 HydrophobicContact CB-CE2 4.06Å; L520-Y522 HydrophobicContact CB-CE2 4.27Å; L520-Y522 HydrophobicContact CD1-CE2 3.94Å; L520-Y522 WeakPolarHBondContact CD1-OH 3.37Å |
| 523 | I | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.7 | 175.9 | 63.4 | 167.4 | 0 | 0 | 0 | 110.4 | I394 M395 L397 I435 V437 L465 Y525 | I394-I523 WeakPolarHBondContact CA-O 3.38Å; M395-I523 HydrophobicContact CB-CD1 4.17Å; M395-I523 HydrophobicContact CB-CG1 3.76Å; M395-I523 HydrophobicContact CG-CG1 4.44Å; M395-I523 PolarHBondContact N-O 2.78Å; M395-I523 WeakPolarHBondContact O-CG1 3.36Å; M395-I523 PolarHBondContact O-N 2.99Å; M395-I523 HydrophobicContact SD-CD1 4.1Å; L397-I523 HydrophobicContact CD1-CD1 4.13Å; L397-I523 HydrophobicContact CD1-CG1 4.39Å; L397-I523 HydrophobicContact CD1-CG2 3.72Å; L397-I523 HydrophobicContact CD2-CD1 4.45Å; L397-I523 HydrophobicContact CG-CD1 4.39Å; L397-I523 HydrophobicContact CG-CG1 4.41Å; L397-I523 HydrophobicContact CG-CG2 4.35Å; I435-I523 HydrophobicContact CD1-CD1 4.46Å; V437-I523 HydrophobicContact CG1-CB 3.84Å; V437-I523 HydrophobicContact CG1-CG2 4.23Å; V437-I523 HydrophobicContact CG2-CB 4.43Å; V437-I523 HydrophobicContact CG2-CD1 3.86Å; L465-I523 HydrophobicContact CD1-CG2 4.08Å; L465-I523 HydrophobicContact CD2-CG2 3.72Å; I523-Y525 HydrophobicContact CG1-CD1 4.34Å |
| 524 | F | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.3 | 174.1 | -67.4 | -108.1 | 0 | 0 | 0 | 108.2 | V328 L339 V392 I394 V437 F438 A439 I478 | V328-F524 WeakPolarHBondContact O-CZ 3.24Å; L339-F524 HydrophobicContact CD2-CD1 4.47Å; V392-F524 HydrophobicContact CG1-CD1 4.39Å; I394-F524 HydrophobicContact CD1-CD1 4.43Å; I394-F524 HydrophobicContact CD1-CE1 3.84Å; I394-F524 HydrophobicContact CD1-CZ 4.28Å; I394-F524 HydrophobicContact CG1-CD1 3.89Å; I394-F524 HydrophobicContact CG1-CE1 3.75Å; I394-F524 HydrophobicContact CG1-CZ 4.25Å; V437-F524 WeakPolarHBondContact CA-O 3.18Å; F438-F524 VanDerWaalsContact CD1-O 3.29Å; F438-F524 WeakPolarHBondContact CD1-O 3.28Å; F438-F524 HydrophobicContact CD2-CB 4.47Å; F438-F524 HydrophobicContact CE1-CB 3.94Å; F438-F524 HydrophobicContact CE2-CB 3.91Å; F438-F524 HydrophobicContact CZ-CB 3.62Å; F438-F524 PolarHBondContact N-O 2.91Å; A439-F524 HydrophobicContact CB-CB 3.97Å; A439-F524 HydrophobicContact CB-CD2 4.19Å; A439-F524 HydrophobicContact CB-CG 4.23Å; A439-F524 PolarHBondContact O-N 3.06Å; I478-F524 HydrophobicContact CB-CE2 4.46Å; I478-F524 HydrophobicContact CD1-CE1 4.24Å; I478-F524 HydrophobicContact CD1-CE2 3.77Å; I478-F524 HydrophobicContact CD1-CZ 3.37Å; I478-F524 HydrophobicContact CG1-CE2 3.75Å; I478-F524 HydrophobicContact CG1-CZ 3.92Å; I478-F524 HydrophobicContact CG2-CD2 3.99Å; I478-F524 HydrophobicContact CG2-CE2 3.77Å; I478-F524 HydrophobicContact CG2-CZ 4.31Å |
| 525 | Y | 98 | Very high | 95.1 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 164.8 | -169.5 | 72 | -88.1 | 0 | 0 | 0 | 113.4 | V392 G393 M395 I435 F436 I523 P527 I529 L531 | V392-Y525 WeakPolarHBondContact CA-O 3.35Å; G393-Y525 VanDerWaalsContact C-CE1 3.43Å; G393-Y525 PolarHBondContact N-O 2.96Å; G393-Y525 VanDerWaalsContact O-CD1 3.28Å; G393-Y525 WeakPolarHBondContact O-CD1 3.15Å; G393-Y525 PolarHBondContact O-N 3.36Å; M395-Y525 HydrophobicContact CB-CD1 4.11Å; M395-Y525 HydrophobicContact CB-CE1 3.57Å; M395-Y525 HydrophobicContact CE-CE1 3.99Å; I435-Y525 HydrophobicContact CB-CD2 3.74Å; I435-Y525 HydrophobicContact CB-CE2 4.5Å; I435-Y525 HydrophobicContact CB-CG 4.36Å; I435-Y525 HydrophobicContact CD1-CD1 4.29Å; I435-Y525 HydrophobicContact CD1-CD2 3.68Å; I435-Y525 HydrophobicContact CD1-CE2 4.24Å; I435-Y525 HydrophobicContact CD1-CG 3.71Å; I435-Y525 HydrophobicContact CG1-CD2 4.29Å; I435-Y525 HydrophobicContact CG2-CD2 3.63Å; I435-Y525 HydrophobicContact CG2-CE2 3.92Å; F436-Y525 CarbonylContact O-C 3.47Å; F436-Y525 WeakPolarHBondContact O-CA 3.27Å; F436-Y525 WeakPolarHBondContact O-CB 3.38Å; I523-Y525 HydrophobicContact CG1-CD1 4.34Å; Y525-P527 VanDerWaalsContact CE2-O 3.26Å; Y525-P527 WeakPolarHBondContact CE2-O 3.4Å; Y525-I529 HydrophobicContact CE2-CD1 4.45Å; Y525-I529 HydrophobicContact CE2-CG1 3.74Å; Y525-I529 WeakPolarHBondContact OH-CG1 3.45Å; Y525-I529 PolarHBondContact OH-N 3.08Å; Y525-I529 PolarHBondContact OH-O 2.94Å; Y525-L531 PolarHBondContact OH-O 2.65Å |
| 526 | Y | 98.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 4% | 0.035 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156.5 | 168.5 | 66.5 | -91.6 | 0 | 0 | 0 | 111.7 | P342 E344 A345 Y390 I435 F436 F438 Q484 | P342-Y526 HydrophobicContact CB-CE1 3.94Å; P342-Y526 HydrophobicContact CG-CD1 4.41Å; P342-Y526 HydrophobicContact CG-CE1 3.84Å; E344-Y526 HydrophobicContact CB-CE2 4.12Å; E344-Y526 PolarHBondContact OE2-OH 3.06Å; A345-Y526 HydrophobicContact CB-CD1 3.83Å; A345-Y526 HydrophobicContact CB-CD2 4.42Å; A345-Y526 HydrophobicContact CB-CG 3.74Å; Y390-Y526 AromaticContact CD2-CD2 3.55Å; Y390-Y526 HydrophobicContact CD2-CD2 3.55Å; Y390-Y526 AromaticContact CD2-CE2 3.95Å; Y390-Y526 HydrophobicContact CD2-CE2 3.95Å; Y390-Y526 HydrophobicContact CE2-CD2 4.18Å; Y390-Y526 HydrophobicContact CE2-CE2 4.27Å; Y390-Y526 HydrophobicContact CG-CD2 4.15Å; I435-Y526 CarbonylContact C-O 3.55Å; I435-Y526 WeakPolarHBondContact CA-O 3.36Å; F436-Y526 HydrophobicContact CB-CD1 4.32Å; F436-Y526 HydrophobicContact CB-CD2 4.44Å; F436-Y526 HydrophobicContact CB-CE1 3.96Å; F436-Y526 HydrophobicContact CB-CE2 4.11Å; F436-Y526 HydrophobicContact CD2-CD2 4.38Å; F436-Y526 HydrophobicContact CD2-CE2 4.03Å; F436-Y526 HydrophobicContact CG-CE2 4.32Å; F436-Y526 PolarHBondContact N-O 3.09Å; F436-Y526 PolarHBondContact O-N 3.49Å; F438-Y526 AromaticContact CD1-CD1 3.83Å; F438-Y526 HydrophobicContact CD1-CD1 3.83Å; F438-Y526 HydrophobicContact CD1-CE1 4.2Å; F438-Y526 HydrophobicContact CE1-CD1 4.17Å; Q484-Y526 VanDerWaalsContact CD-OH 3.24Å; Q484-Y526 PolarHBondContact NE2-OH 2.76Å; Q484-Y526 VanDerWaalsContact OE1-CZ 3.29Å; Q484-Y526 PolarHBondContact OE1-OH 3.03Å |
| 527 | P | 98.1 | Very high | 96.1 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 21% | 0.214 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -67.9 | 148.8 | -10.7 | 31.3 | -35.6 | 0 | 0 | 0 | 111.6 | Y390 P430 Y525 I529 | Y390-P527 HydrophobicContact CD1-CB 3.75Å; Y390-P527 HydrophobicContact CE1-CB 4.3Å; Y390-P527 HydrophobicContact CG-CB 4.2Å; P430-P527 HydrophobicContact CG-CG 4.26Å; Y525-P527 VanDerWaalsContact CE2-O 3.26Å; Y525-P527 WeakPolarHBondContact CE2-O 3.4Å; P527-I529 PolarHBondContact O-N 2.8Å |
| 528 | K | 96.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 17.6 Ų | 17.6 | 34% | 0.339 | 9% | 0.088 | S | C | . | . | trans | -52.2 | 134.7 | 171.5 | -176.1 | 171.1 | -178.1 | 165.6 | 0 | 111 | D391 | D391-K528 HydrophobicContact CB-CB 3.77Å; D391-K528 HydrophobicContact CB-CD 4.23Å; D391-K528 WeakPolarHBondContact O-CB 3.1Å; D391-K528 PolarHBondContact O-N 2.77Å | ||
| 529 | I | 96.1 | Very high | 96.1 | Very high | 24 Ų | 24 | 16.8 Ų | 16.8 | 12% | 0.123 | 9% | 0.085 | C | C | . | . | trans | -124.7 | 172.3 | 173.5 | 61.7 | 174.2 | 0 | 0 | 0 | 110.2 | M395 L429 P430 I435 Y525 P527 L531 | M395-I529 HydrophobicContact CE-CD1 4.02Å; M395-I529 HydrophobicContact CE-CG1 4.47Å; L429-I529 HydrophobicContact CD2-CD1 3.38Å; P430-I529 HydrophobicContact CG-CG2 3.82Å; I435-I529 HydrophobicContact CG2-CD1 4.41Å; I435-I529 HydrophobicContact CG2-CG2 4.32Å; Y525-I529 HydrophobicContact CE2-CD1 4.45Å; Y525-I529 HydrophobicContact CE2-CG1 3.74Å; Y525-I529 WeakPolarHBondContact OH-CG1 3.45Å; Y525-I529 PolarHBondContact OH-N 3.08Å; Y525-I529 PolarHBondContact OH-O 2.94Å; P527-I529 PolarHBondContact O-N 2.8Å; I529-L531 VanDerWaalsContact C-N 3.26Å; I529-L531 HydrophobicContact CD1-CB 3.77Å; I529-L531 HydrophobicContact CG1-CB 4.09Å; I529-L531 PolarHBondContact O-N 2.81Å | ||
| 530 | D | 93.7 | Very high | 95.8 | Very high | 98 Ų | 98 | 19.4 Ų | 19.4 | 52% | 0.524 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -75.8 | -11.6 | -179.8 | -167.5 | 41.6 | 0 | 0 | 0 | 112.9 | E532 S594 S595 | D530-E532 PolarHBondContact O-N 3.48Å; D530-S594 CarbonylContact O-C 3.56Å; D530-S594 WeakPolarHBondContact O-CA 3.48Å; D530-S594 WeakPolarHBondContact O-CB 3.49Å; D530-S594 VanDerWaalsContact OD2-CB 3.26Å; D530-S594 WeakPolarHBondContact OD2-CB 3.48Å; D530-S595 PolarHBondContact O-N 3.23Å |
| 531 | L | 94.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 117.9 | 176.3 | 176.9 | 65.2 | 0 | 0 | 0 | 110.8 | M395 T428 Y525 I529 L533 C534 I600 | M395-L531 HydrophobicContact CE-CB 4.16Å; M395-L531 HydrophobicContact CE-CD2 3.64Å; M395-L531 HydrophobicContact CE-CG 3.82Å; M395-L531 HydrophobicContact SD-CD2 3.85Å; M395-L531 HydrophobicContact SD-CG 4.14Å; T428-L531 HydrophobicContact CG2-CB 4.09Å; T428-L531 HydrophobicContact CG2-CD1 4.31Å; T428-L531 HydrophobicContact CG2-CD2 4.11Å; T428-L531 HydrophobicContact CG2-CG 4.4Å; T428-L531 VanDerWaalsContact OG1-CD2 3.29Å; T428-L531 WeakPolarHBondContact OG1-CD2 3.25Å; Y525-L531 PolarHBondContact OH-O 2.65Å; I529-L531 VanDerWaalsContact C-N 3.26Å; I529-L531 HydrophobicContact CD1-CB 3.77Å; I529-L531 HydrophobicContact CG1-CB 4.09Å; I529-L531 PolarHBondContact O-N 2.81Å; L531-L533 WeakPolarHBondContact CD1-O 3.16Å; L531-C534 HydrophobicContact CD1-CB 4.24Å; L531-C534 HydrophobicContact CD2-CB 4.05Å; L531-C534 HydrophobicContact CG-CB 4.36Å; L531-I600 HydrophobicContact CD1-CG1 4.47Å |
| 532 | E | 90.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 21% | 0.206 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -41.4 | 179.8 | -169.7 | 169.2 | 132.8 | 0 | 0 | 112 | M395 E396 D530 N593 S595 | M395-E532 CarbonylContact C-O 3.6Å; M395-E532 WeakPolarHBondContact CA-O 3.33Å; M395-E532 WeakPolarHBondContact CG-O 3.14Å; E396-E532 PolarHBondContact N-O 3.36Å; D530-E532 PolarHBondContact O-N 3.48Å; E532-N593 PolarHBondContact N-O 3.25Å; E532-N593 VanDerWaalsContact N-O 3.13Å; E532-S595 WeakPolarHBondContact OE2-CA 3.36Å; E532-S595 WeakPolarHBondContact OE2-CB 3.11Å; E532-S595 PolarHBondContact OE2-OG 3.48Å |
| 533 | L | 93.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 26 Ų | 26 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.3 | 176.9 | -69.3 | 142 | 0 | 0 | 0 | 108.8 | E396 L531 K535 H591 C592 N593 | E396-L533 HydrophobicContact CB-CD2 4.26Å; E396-L533 WeakPolarHBondContact OE2-CD2 3.31Å; L531-L533 WeakPolarHBondContact CD1-O 3.16Å; L533-K535 HydrophobicContact CD2-CD 3.93Å; L533-H591 CarbonylContact C-O 3.54Å; L533-C592 WeakPolarHBondContact O-CA 3.29Å; L533-N593 HydrophobicContact CB-CB 4.11Å; L533-N593 HydrophobicContact CD1-CB 4.15Å; L533-N593 PolarHBondContact N-O 2.96Å; L533-N593 VanDerWaalsContact N-O 3.17Å; L533-N593 PolarHBondContact O-N 2.86Å |
| 534 | C | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 78.7 | 170 | -157.4 | 0 | 0 | 0 | 0 | 109.7 | M395 E396 L397 C420 C424 L531 | M395-C534 HydrophobicContact CG-CB 4.35Å; M395-C534 HydrophobicContact SD-CB 3.92Å; E396-C534 PolarHBondContact O-N 3.37Å; L397-C534 HydrophobicContact CD2-CB 4.01Å; C420-C534 WeakPolarHBondContact CA-SG 3.5Å; C420-C534 HydrophobicContact CB-CB 3.72Å; C420-C534 WeakPolarHBondContact CB-SG 3.08Å; C420-C534 WeakPolarHBondContact SG-CB 3.48Å; C420-C534 CovalentContact SG-SG 2.02Å; C420-C534 PolarHBondContact SG-SG 2.99Å; C424-C534 PolarHBondContact SG-SG 3.04Å; L531-C534 HydrophobicContact CD1-CB 4.24Å; L531-C534 HydrophobicContact CD2-CB 4.05Å; L531-C534 HydrophobicContact CG-CB 4.36Å |
| 535 | K | 96.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 172.5 | -171.8 | -65.4 | -177.4 | 177.2 | 179.1 | 0 | 111.3 | E396 G398 V400 Y401 Y419 L520 L533 M590 H591 | E396-K535 VanDerWaalsContact OE2-CE 3.26Å; E396-K535 WeakPolarHBondContact OE2-CE 3.37Å; E396-K535 IonicContact OE2-NZ 2.79Å; E396-K535 PolarHBondContact OE2-NZ 3.06Å; G398-K535 WeakPolarHBondContact O-CA 3.26Å; G398-K535 VanDerWaalsContact O-CB 3.27Å; G398-K535 WeakPolarHBondContact O-CB 3.43Å; V400-K535 HydrophobicContact CG2-CB 3.82Å; Y401-K535 PolarHBondContact OH-NZ 3.14Å; Y419-K535 CarbonylContact O-C 3.59Å; L520-K535 HydrophobicContact CD2-CD 4.37Å; L520-K535 VanDerWaalsContact CD2-CE 3.4Å; L533-K535 HydrophobicContact CD2-CD 3.93Å; K535-M590 WeakPolarHBondContact O-CE 3.49Å; K535-H591 HydrophobicContact CB-CB 4.33Å; K535-H591 PolarHBondContact N-O 3.13Å; K535-H591 WeakPolarHBondContact O-CA 3.29Å; K535-H591 PolarHBondContact O-N 2.86Å |
| 536 | S | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 166.6 | 168.8 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | G398 L399 V400 G418 Y419 E589 | G398-S536 PolarHBondContact O-N 2.93Å; L399-S536 WeakPolarHBondContact CA-O 3.05Å; L399-S536 WeakPolarHBondContact CD2-O 3.07Å; V400-S536 PolarHBondContact N-O 3.49Å; V400-S536 VanDerWaalsContact N-O 3.09Å; G418-S536 WeakPolarHBondContact CA-OG 3.41Å; Y419-S536 WeakPolarHBondContact CD2-OG 3.36Å; Y419-S536 PolarHBondContact N-OG 3.02Å; S536-E589 CarbonylContact C-O 3.58Å; S536-E589 VanDerWaalsContact CA-O 3.25Å; S536-E589 WeakPolarHBondContact CA-O 3.2Å |
| 537 | D | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 164.2 | 168.4 | -171 | 10.5 | 0 | 0 | 0 | 109.2 | V400 T402 N404 N405 I588 E589 | V400-D537 HydrophobicContact CB-CB 4.12Å; V400-D537 HydrophobicContact CG2-CB 4.19Å; T402-D537 WeakPolarHBondContact CB-OD2 3.44Å; T402-D537 VanDerWaalsContact CG2-OD2 3.27Å; T402-D537 WeakPolarHBondContact CG2-OD2 3.39Å; T402-D537 VanDerWaalsContact OG1-CG 3.27Å; T402-D537 PolarHBondContact OG1-OD2 2.82Å; N404-D537 WeakPolarHBondContact CB-OD1 3.4Å; N404-D537 WeakPolarHBondContact CB-OD2 3.36Å; N404-D537 PolarHBondContact ND2-OD2 2.91Å; N405-D537 PolarHBondContact ND2-OD1 2.97Å; N405-D537 PolarHBondContact OD1-OD1 3.27Å; D537-I588 CarbonylContact O-C 3.57Å; D537-I588 WeakPolarHBondContact O-CA 3.46Å; D537-I588 WeakPolarHBondContact O-CB 3.48Å; D537-E589 PolarHBondContact N-O 2.94Å; D537-E589 PolarHBondContact O-N 3.5Å |
| 538 | I | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 142.5 | 170 | -158.1 | 64.6 | 0 | 0 | 0 | 110.7 | N404 I540 L543 F582 Y583 A586 | N404-I538 HydrophobicContact CB-CG2 3.6Å; N404-I538 WeakPolarHBondContact O-CG2 3.26Å; I538-I540 PolarHBondContact O-N 3.21Å; I538-L543 HydrophobicContact CG2-CB 4.3Å; I538-L543 HydrophobicContact CG2-CD2 4.06Å; I538-F582 HydrophobicContact CD1-CE1 4.16Å; I538-F582 HydrophobicContact CD1-CZ 4.17Å; I538-F582 HydrophobicContact CG1-CE1 3.52Å; I538-F582 HydrophobicContact CG1-CZ 3.56Å; I538-Y583 HydrophobicContact CB-CD1 4.27Å; I538-Y583 HydrophobicContact CB-CE1 4.09Å; I538-Y583 HydrophobicContact CD1-CD1 4.26Å; I538-Y583 HydrophobicContact CG1-CD1 4.19Å; I538-Y583 HydrophobicContact CG1-CE1 4.29Å; I538-Y583 HydrophobicContact CG2-CE1 4.02Å; I538-A586 HydrophobicContact CD1-CB 3.5Å; I538-A586 HydrophobicContact CG1-CB 4.29Å |
| 539 | S | 94.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | trans | -60.7 | 126.7 | 176 | 165.6 | 0 | 0 | 0 | 0 | 111 | E541 S542 L543 P587 E589 | S539-E541 VanDerWaalsContact C-N 3.27Å; S539-E541 PolarHBondContact O-N 2.77Å; S539-E541 PolarHBondContact OG-N 3.42Å; S539-S542 WeakPolarHBondContact CB-OG 3.39Å; S539-S542 PolarHBondContact O-N 3.36Å; S539-S542 PolarHBondContact OG-N 3.04Å; S539-S542 PolarHBondContact OG-OG 2.99Å; S539-L543 WeakPolarHBondContact O-CB 3.26Å; S539-L543 PolarHBondContact O-N 2.96Å; S539-P587 WeakPolarHBondContact CB-O 3.25Å; S539-P587 PolarHBondContact N-O 3.48Å; S539-E589 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 540 | I | 91.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64 | -35.5 | -179.6 | -171.6 | 58.1 | 0 | 0 | 0 | 111.7 | I538 L543 N544 L562 E589 | I538-I540 PolarHBondContact O-N 3.21Å; I540-L543 HydrophobicContact CD1-CD2 4.39Å; I540-L543 PolarHBondContact O-N 3.05Å; I540-N544 WeakPolarHBondContact O-CB 3.25Å; I540-N544 VanDerWaalsContact O-CG 3.22Å; I540-N544 PolarHBondContact O-N 3.27Å; I540-N544 PolarHBondContact O-ND2 3.24Å; I540-N544 VanDerWaalsContact O-ND2 3.17Å; I540-L562 HydrophobicContact CD1-CD2 4.39Å; I540-E589 PolarHBondContact N-OE1 3.43Å; I540-E589 VanDerWaalsContact N-OE1 3.12Å |
| 541 | E | 91.9 | Very high | 92.5 | Very high | 123 Ų | 123 | 33.3 Ų | 33.3 | 58% | 0.575 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -63.2 | -46.8 | 175.5 | -62.8 | -176.7 | 173.7 | 0 | 0 | 111 | S539 L543 N544 I545 | S539-E541 VanDerWaalsContact C-N 3.27Å; S539-E541 PolarHBondContact O-N 2.77Å; S539-E541 PolarHBondContact OG-N 3.42Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-L543 PolarHBondContact O-N 2.79Å; E541-N544 PolarHBondContact O-N 3.41Å; E541-I545 WeakPolarHBondContact O-CG1 3.5Å; E541-I545 PolarHBondContact O-N 3.18Å; E541-I545 VanDerWaalsContact O-N 3.13Å |
| 542 | S | 94.4 | Very high | 91.2 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | S539 I545 F546 F582 P587 | S539-S542 WeakPolarHBondContact CB-OG 3.39Å; S539-S542 PolarHBondContact O-N 3.36Å; S539-S542 PolarHBondContact OG-N 3.04Å; S539-S542 PolarHBondContact OG-OG 2.99Å; S542-I545 PolarHBondContact O-N 2.87Å; S542-F546 WeakPolarHBondContact O-CB 3.35Å; S542-F546 PolarHBondContact O-N 2.97Å; S542-F582 WeakPolarHBondContact O-CE2 3.5Å; S542-P587 WeakPolarHBondContact OG-CD 3.39Å |
| 543 | L | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.6 | 178.8 | 60 | 0 | 0 | 0 | 111.4 | N404 F406 I538 S539 I540 E541 I545 F546 L547 L562 F582 | N404-L543 HydrophobicContact CB-CD2 3.82Å; F406-L543 HydrophobicContact CE1-CD1 4.09Å; I538-L543 HydrophobicContact CG2-CB 4.3Å; I538-L543 HydrophobicContact CG2-CD2 4.06Å; S539-L543 WeakPolarHBondContact O-CB 3.26Å; S539-L543 PolarHBondContact O-N 2.96Å; I540-L543 HydrophobicContact CD1-CD2 4.39Å; I540-L543 PolarHBondContact O-N 3.05Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-L543 PolarHBondContact O-N 2.79Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 2.96Å; L543-F546 HydrophobicContact CD1-CD1 4.32Å; L543-F546 PolarHBondContact O-N 2.83Å; L543-L547 HydrophobicContact CD1-CD1 4.09Å; L543-L547 HydrophobicContact CD1-CD2 4.36Å; L543-L547 HydrophobicContact CD1-CG 3.96Å; L543-L547 HydrophobicContact CG-CD1 3.99Å; L543-L547 HydrophobicContact CG-CG 4.3Å; L543-L547 WeakPolarHBondContact O-CB 3.5Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.49Å; L543-L547 PolarHBondContact O-N 3.08Å; L543-L562 HydrophobicContact CD2-CD1 3.78Å; L543-L562 HydrophobicContact CD2-CD2 3.96Å; L543-L562 HydrophobicContact CG-CD1 4.21Å; L543-F582 VanDerWaalsContact CA-CZ 3.47Å; L543-F582 HydrophobicContact CB-CE1 4.33Å; L543-F582 HydrophobicContact CB-CZ 3.98Å; L543-F582 HydrophobicContact CD1-CE1 3.69Å; L543-F582 HydrophobicContact CD1-CZ 4.1Å |
| 544 | N | 91.9 | Very high | 88.4 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.6 | -77.7 | -31.7 | 0 | 0 | 0 | 112.2 | I540 E541 N548 R565 | I540-N544 WeakPolarHBondContact O-CB 3.25Å; I540-N544 VanDerWaalsContact O-CG 3.22Å; I540-N544 PolarHBondContact O-N 3.27Å; I540-N544 PolarHBondContact O-ND2 3.24Å; I540-N544 VanDerWaalsContact O-ND2 3.17Å; E541-N544 PolarHBondContact O-N 3.41Å; N544-N548 PolarHBondContact O-N 2.7Å; N544-N548 VanDerWaalsContact O-N 3.11Å; N544-N548 PolarHBondContact O-ND2 3.05Å; N544-N548 PolarHBondContact O-OD1 3.05Å; N544-R565 PolarHBondContact O-NH2 2.9Å; N544-R565 PolarHBondContact OD1-NH1 2.94Å |
| 545 | I | 92 | Very high | 86.5 | Confident | 117 Ų | 117 | 56 Ų | 56 | 60% | 0.6 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 175.4 | -66.4 | 165.8 | 0 | 0 | 0 | 110.2 | E541 S542 L543 N548 T549 | E541-I545 WeakPolarHBondContact O-CG1 3.5Å; E541-I545 PolarHBondContact O-N 3.18Å; E541-I545 VanDerWaalsContact O-N 3.13Å; S542-I545 PolarHBondContact O-N 2.87Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 2.96Å; I545-N548 PolarHBondContact O-N 2.04Å; I545-T549 PolarHBondContact O-N 3.21Å |
| 546 | F | 94.1 | Very high | 84.6 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -49 | 178.6 | 171.4 | -102.8 | 0 | 0 | 0 | 112.3 | S542 L543 N548 T549 L550 Q578 L579 F582 | S542-F546 WeakPolarHBondContact O-CB 3.35Å; S542-F546 PolarHBondContact O-N 2.97Å; L543-F546 HydrophobicContact CD1-CD1 4.32Å; L543-F546 PolarHBondContact O-N 2.83Å; F546-N548 VanDerWaalsContact C-N 3.26Å; F546-N548 PolarHBondContact O-N 3.02Å; F546-T549 WeakPolarHBondContact O-CB 3.31Å; F546-T549 PolarHBondContact O-N 2.87Å; F546-T549 PolarHBondContact O-OG1 3Å; F546-L550 HydrophobicContact CD1-CD1 4.39Å; F546-L550 HydrophobicContact CE1-CD1 3.53Å; F546-L550 HydrophobicContact CE1-CG 4.34Å; F546-L550 HydrophobicContact CE2-CD1 4.38Å; F546-L550 HydrophobicContact CZ-CD1 3.54Å; F546-L550 HydrophobicContact CZ-CG 4.15Å; F546-Q578 HydrophobicContact CE2-CB 4.21Å; F546-Q578 HydrophobicContact CZ-CB 4.37Å; F546-L579 HydrophobicContact CD1-CD1 4.36Å; F546-L579 HydrophobicContact CE1-CB 4.35Å; F546-L579 HydrophobicContact CE1-CD1 3.56Å; F546-L579 HydrophobicContact CZ-CB 4.07Å; F546-L579 HydrophobicContact CZ-CD1 4.09Å; F546-F582 HydrophobicContact CB-CD2 3.6Å; F546-F582 HydrophobicContact CB-CE2 3.54Å; F546-F582 HydrophobicContact CB-CG 4.15Å; F546-F582 HydrophobicContact CB-CZ 4.05Å; F546-F582 HydrophobicContact CD1-CD1 4.04Å; F546-F582 HydrophobicContact CD1-CD2 4.37Å; F546-F582 HydrophobicContact CD1-CE1 4.36Å; F546-F582 HydrophobicContact CD1-CG 4.04Å; F546-F582 HydrophobicContact CD2-CB 3.81Å; F546-F582 AromaticContact CD2-CD2 3.79Å; F546-F582 HydrophobicContact CD2-CD2 3.79Å; F546-F582 AromaticContact CD2-CG 3.82Å; F546-F582 HydrophobicContact CD2-CG 3.82Å; F546-F582 HydrophobicContact CE1-CB 4.49Å; F546-F582 HydrophobicContact CE1-CD1 4.42Å; F546-F582 HydrophobicContact CE1-CG 4.44Å; F546-F582 HydrophobicContact CE2-CB 3.78Å; F546-F582 HydrophobicContact CE2-CG 4.23Å; F546-F582 HydrophobicContact CG-CB 4.18Å; F546-F582 HydrophobicContact CG-CD1 4.13Å; F546-F582 AromaticContact CG-CD2 3.64Å; F546-F582 HydrophobicContact CG-CD2 3.64Å; F546-F582 HydrophobicContact CG-CE1 4.48Å; F546-F582 HydrophobicContact CG-CE2 4.05Å; F546-F582 AromaticContact CG-CG 3.7Å; F546-F582 HydrophobicContact CG-CG 3.7Å; F546-F582 HydrophobicContact CG-CZ 4.47Å; F546-F582 HydrophobicContact CZ-CB 4.13Å |
| 547 | L | 92.4 | Very high | 82.8 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -34.9 | 179.7 | -67.8 | 174.8 | 0 | 0 | 0 | 112.1 | F406 L543 T549 L550 D551 L562 V566 I569 | F406-L547 HydrophobicContact CZ-CD2 4.31Å; L543-L547 HydrophobicContact CD1-CD1 4.09Å; L543-L547 HydrophobicContact CD1-CD2 4.36Å; L543-L547 HydrophobicContact CD1-CG 3.96Å; L543-L547 HydrophobicContact CG-CD1 3.99Å; L543-L547 HydrophobicContact CG-CG 4.3Å; L543-L547 WeakPolarHBondContact O-CB 3.5Å; L543-L547 VanDerWaalsContact O-CG 3.28Å; L543-L547 WeakPolarHBondContact O-CG 3.49Å; L543-L547 PolarHBondContact O-N 3.08Å; L547-T549 PolarHBondContact O-N 3.34Å; L547-L550 PolarHBondContact O-N 3.49Å; L547-L550 VanDerWaalsContact O-N 3.08Å; L547-D551 PolarHBondContact O-N 2.73Å; L547-L562 HydrophobicContact CD1-CD1 3.37Å; L547-V566 HydrophobicContact CD1-CG2 4Å; L547-V566 HydrophobicContact CD2-CG2 4Å; L547-I569 HydrophobicContact CD2-CD1 3.57Å |
| 548 | N | 89 | Confident | 81 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.3 | -22 | 174.5 | -69.9 | -11.9 | 0 | 0 | 0 | 113.3 | N544 I545 F546 R565 | N544-N548 PolarHBondContact O-N 2.7Å; N544-N548 VanDerWaalsContact O-N 3.11Å; N544-N548 PolarHBondContact O-ND2 3.05Å; N544-N548 PolarHBondContact O-OD1 3.05Å; I545-N548 PolarHBondContact O-N 2.04Å; F546-N548 VanDerWaalsContact C-N 3.26Å; F546-N548 PolarHBondContact O-N 3.02Å; N548-R565 PolarHBondContact OD1-NH2 2.51Å |
| 549 | T | 90.3 | Very high | 79.4 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -80.3 | -19.2 | 174.9 | 70 | 0 | 0 | 0 | 0 | 113.4 | I545 F546 L547 | I545-T549 PolarHBondContact O-N 3.21Å; F546-T549 WeakPolarHBondContact O-CB 3.31Å; F546-T549 PolarHBondContact O-N 2.87Å; F546-T549 PolarHBondContact O-OG1 3Å; L547-T549 PolarHBondContact O-N 3.34Å |
| 550 | L | 88 | Confident | 78.3 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -95.5 | -15.2 | 178.1 | -62.2 | -175.9 | 0 | 0 | 0 | 113.1 | F546 L547 D552 I569 W571 E575 | F546-L550 HydrophobicContact CD1-CD1 4.39Å; F546-L550 HydrophobicContact CE1-CD1 3.53Å; F546-L550 HydrophobicContact CE1-CG 4.34Å; F546-L550 HydrophobicContact CE2-CD1 4.38Å; F546-L550 HydrophobicContact CZ-CD1 3.54Å; F546-L550 HydrophobicContact CZ-CG 4.15Å; L547-L550 PolarHBondContact O-N 3.49Å; L547-L550 VanDerWaalsContact O-N 3.08Å; L550-D552 PolarHBondContact O-N 2.86Å; L550-I569 HydrophobicContact CB-CD1 4.03Å; L550-I569 HydrophobicContact CB-CG1 4.42Å; L550-I569 HydrophobicContact CB-CG2 4.49Å; L550-I569 HydrophobicContact CD1-CD1 4.08Å; L550-I569 HydrophobicContact CD1-CG2 4.42Å; L550-W571 HydrophobicContact CD1-CH2 3.89Å; L550-W571 HydrophobicContact CD1-CZ3 4.07Å; L550-E575 HydrophobicContact CD2-CB 4.36Å; L550-E575 HydrophobicContact CD2-CG 4.06Å |
| 551 | D | 76.6 | Confident | 78 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 12% | 0.123 | 41% | 0.409 | C | S | . | . | trans | -83.6 | 111.6 | -175.2 | -164.4 | -8.5 | 0 | 0 | 0 | 111 | L547 N553 Q556 Q557 | L547-D551 PolarHBondContact O-N 2.73Å; D551-N553 PolarHBondContact O-N 3.14Å; D551-N553 PolarHBondContact OD1-N 3.18Å; D551-Q556 PolarHBondContact OD1-OE1 3.26Å; D551-Q556 WeakPolarHBondContact OD2-CB 3.22Å; D551-Q557 PolarHBondContact OD2-N 3.36Å | ||
| 552 | D | 67.3 | Low | 77.9 | Confident | 158 Ų | 158 | 73 Ų | 73 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -72.1 | -16 | 176.4 | -72.7 | -31.3 | 0 | 0 | 0 | 112.6 | L550 | L550-D552 PolarHBondContact O-N 2.86Š|
| 553 | N | 65 | Low | 77.7 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | trans | -118.9 | 110.5 | -174 | -78 | -50.4 | 0 | 0 | 0 | 111.8 | D551 N555 Q556 | D551-N553 PolarHBondContact O-N 3.14Å; D551-N553 PolarHBondContact OD1-N 3.18Å; N553-N555 PolarHBondContact O-N 2.72Å; N553-Q556 HydrophobicContact CB-CG 4.29Å; N553-Q556 PolarHBondContact O-N 3.26Å | ||
| 554 | E | 60.3 | Low | 77.5 | Confident | 165 Ų | 165 | 78.8 Ų | 78.8 | 77% | 0.771 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -51.2 | -28.3 | 176.3 | -69.3 | -174.7 | 164.5 | 0 | 0 | 113.9 | Q556 Q557 | E554-Q556 VanDerWaalsContact C-N 3.34Å; E554-Q556 PolarHBondContact O-N 3.36Å; E554-Q557 PolarHBondContact O-N 2.69Å |
| 555 | N | 56.7 | Low | 77.4 | Confident | 144 Ų | 144 | 76.9 Ų | 76.9 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -69.7 | -23.9 | 178.5 | -72.5 | -32.9 | 0 | 0 | 0 | 114.3 | N553 | N553-N555 PolarHBondContact O-N 2.72Š|
| 556 | Q | 57.5 | Low | 77.4 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -81.5 | -17.9 | -179.8 | -75.6 | -177 | 0.8 | 0 | 0 | 112.8 | D551 N553 E554 N558 D559 | D551-Q556 PolarHBondContact OD1-OE1 3.26Å; D551-Q556 WeakPolarHBondContact OD2-CB 3.22Å; N553-Q556 HydrophobicContact CB-CG 4.29Å; N553-Q556 PolarHBondContact O-N 3.26Å; E554-Q556 VanDerWaalsContact C-N 3.34Å; E554-Q556 PolarHBondContact O-N 3.36Å; Q556-N558 PolarHBondContact O-N 3.18Å; Q556-N558 VanDerWaalsContact O-N 3.16Å; Q556-D559 PolarHBondContact O-N 3.46Å; Q556-D559 VanDerWaalsContact O-N 3.12Å |
| 557 | Q | 59.2 | Low | 77.3 | Confident | 80 Ų | 80 | 74.4 Ų | 74.4 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -61.7 | -23.2 | 174.2 | -61.8 | -177.4 | -2.3 | 0 | 0 | 113 | D551 E554 | D551-Q557 PolarHBondContact OD2-N 3.36Å; E554-Q557 PolarHBondContact O-N 2.69Å |
| 558 | N | 57.6 | Low | 77.1 | Confident | 133 Ų | 133 | 78 Ų | 78 | 71% | 0.711 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -91 | 1.5 | 179.3 | -71.2 | -33.8 | 0 | 0 | 0 | 114.1 | Q556 N560 | Q556-N558 PolarHBondContact O-N 3.18Å; Q556-N558 VanDerWaalsContact O-N 3.16Å; N558-N560 PolarHBondContact O-N 2.83Å |
| 559 | D | 62.5 | Low | 77.2 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | trans | -72.7 | 118.1 | 173.7 | -165.2 | -22.4 | 0 | 0 | 0 | 109.6 | Q556 S561 N564 R565 | Q556-D559 PolarHBondContact O-N 3.46Å; Q556-D559 VanDerWaalsContact O-N 3.12Å; D559-S561 PolarHBondContact O-N 2.78Å; D559-S561 PolarHBondContact OD1-N 3.3Å; D559-N564 PolarHBondContact OD1-ND2 3.43Å; D559-N564 WeakPolarHBondContact OD2-CB 3.44Å; D559-N564 PolarHBondContact OD2-ND2 3.41Å; D559-R565 HydrophobicContact CB-CG 3.98Å; D559-R565 VanDerWaalsContact O-CD 3.26Å; D559-R565 WeakPolarHBondContact O-CD 3.36Å | ||
| 560 | N | 70.3 | Confident | 77.2 | Confident | 170 Ų | 170 | 79.2 Ų | 79.2 | 91% | 0.909 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -68.2 | -16.1 | -177.7 | -73.1 | -25.8 | 0 | 0 | 0 | 112.8 | N558 | N558-N560 PolarHBondContact O-N 2.83Š|
| 561 | S | 86.4 | Confident | 77.4 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | trans | -92.2 | 112.7 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | D559 M563 N564 R565 | D559-S561 PolarHBondContact O-N 2.78Å; D559-S561 PolarHBondContact OD1-N 3.3Å; S561-M563 PolarHBondContact O-N 2.8Å; S561-N564 WeakPolarHBondContact CB-ND2 3.48Å; S561-N564 PolarHBondContact O-N 2.93Å; S561-N564 VanDerWaalsContact O-N 3.09Å; S561-N564 PolarHBondContact OG-N 2.99Å; S561-R565 PolarHBondContact O-N 2.9Å; S561-R565 VanDerWaalsContact O-N 3.15Å | ||
| 562 | L | 89.7 | Confident | 78.1 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -49.6 | -45.9 | 171.2 | 176 | 68.9 | 0 | 0 | 0 | 111.6 | P403 N404 I540 L543 L547 N564 R565 V566 | P403-L562 HydrophobicContact CB-CD2 4.18Å; P403-L562 HydrophobicContact CG-CD2 4.11Å; N404-L562 HydrophobicContact CB-CD2 4.49Å; N404-L562 WeakPolarHBondContact OD1-CD2 3.23Å; I540-L562 HydrophobicContact CD1-CD2 4.39Å; L543-L562 HydrophobicContact CD2-CD1 3.78Å; L543-L562 HydrophobicContact CD2-CD2 3.96Å; L543-L562 HydrophobicContact CG-CD1 4.21Å; L547-L562 HydrophobicContact CD1-CD1 3.37Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 3.46Å; L562-R565 PolarHBondContact O-N 3.09Å; L562-V566 HydrophobicContact CD1-CG2 4.2Å; L562-V566 HydrophobicContact CG-CG2 4.38Å; L562-V566 WeakPolarHBondContact O-CG2 3.33Å; L562-V566 PolarHBondContact O-N 2.67Å |
| 563 | M | 90.5 | Very high | 79.4 | Confident | 76 Ų | 76 | 82.2 Ų | 82.2 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | -178.6 | -68.2 | 176.7 | 174.7 | 0 | 0 | 111.9 | P403 F509 S561 V566 N567 | P403-M563 HydrophobicContact CB-CE 3.58Å; P403-M563 HydrophobicContact CB-CG 3.99Å; P403-M563 HydrophobicContact CG-CE 3.95Å; F509-M563 HydrophobicContact CD1-CG 4.15Å; F509-M563 HydrophobicContact CD2-CG 4.43Å; F509-M563 HydrophobicContact CE1-CB 4.25Å; F509-M563 HydrophobicContact CE1-CG 3.94Å; F509-M563 HydrophobicContact CE2-CB 4.31Å; F509-M563 HydrophobicContact CE2-CG 4.23Å; F509-M563 HydrophobicContact CG-CG 4.39Å; F509-M563 HydrophobicContact CZ-CB 3.92Å; F509-M563 HydrophobicContact CZ-CG 3.98Å; S561-M563 PolarHBondContact O-N 2.8Å; M563-V566 PolarHBondContact O-N 3.03Å; M563-N567 VanDerWaalsContact O-CB 3.31Å; M563-N567 WeakPolarHBondContact O-CB 3.27Å; M563-N567 VanDerWaalsContact O-CG 3.22Å; M563-N567 PolarHBondContact O-N 3.03Å; M563-N567 PolarHBondContact O-ND2 3.04Å |
| 564 | N | 89.2 | Confident | 80.8 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.8 | -69.9 | -5.4 | 0 | 0 | 0 | 111.1 | D559 S561 L562 V566 N567 N568 | D559-N564 PolarHBondContact OD1-ND2 3.43Å; D559-N564 WeakPolarHBondContact OD2-CB 3.44Å; D559-N564 PolarHBondContact OD2-ND2 3.41Å; S561-N564 WeakPolarHBondContact CB-ND2 3.48Å; S561-N564 PolarHBondContact O-N 2.93Å; S561-N564 VanDerWaalsContact O-N 3.09Å; S561-N564 PolarHBondContact OG-N 2.99Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 3.46Å; N564-V566 VanDerWaalsContact C-N 3.34Å; N564-V566 PolarHBondContact O-N 3.11Å; N564-N567 PolarHBondContact O-N 2.85Å; N564-N568 WeakPolarHBondContact O-CB 3.37Å; N564-N568 PolarHBondContact O-N 2.75Å; N564-N568 PolarHBondContact O-ND2 3.3Å |
| 565 | R | 89.8 | Confident | 82.5 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 6% | 0.06 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 176.7 | -70.5 | 175.7 | 59.6 | -144.8 | 3.8 | 111 | N544 N548 D559 S561 L562 N567 N568 I569 | N544-R565 PolarHBondContact O-NH2 2.9Å; N544-R565 PolarHBondContact OD1-NH1 2.94Å; N548-R565 PolarHBondContact OD1-NH2 2.51Å; D559-R565 HydrophobicContact CB-CG 3.98Å; D559-R565 VanDerWaalsContact O-CD 3.26Å; D559-R565 WeakPolarHBondContact O-CD 3.36Å; S561-R565 PolarHBondContact O-N 2.9Å; S561-R565 VanDerWaalsContact O-N 3.15Å; L562-R565 PolarHBondContact O-N 3.09Å; R565-N567 VanDerWaalsContact C-N 3.35Å; R565-N567 PolarHBondContact O-N 2.78Å; R565-N568 PolarHBondContact O-N 3.5Å; R565-I569 PolarHBondContact O-N 3.49Å |
| 566 | V | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 178.3 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | F406 I507 F509 L547 L562 M563 N564 N568 I569 W571 | F406-V566 HydrophobicContact CD1-CG1 4.26Å; F406-V566 HydrophobicContact CD1-CG2 4.12Å; F406-V566 HydrophobicContact CD2-CG1 3.72Å; F406-V566 HydrophobicContact CE1-CG1 4.2Å; F406-V566 HydrophobicContact CE1-CG2 3.62Å; F406-V566 HydrophobicContact CE2-CG1 3.65Å; F406-V566 HydrophobicContact CE2-CG2 4.39Å; F406-V566 HydrophobicContact CG-CG1 4.04Å; F406-V566 HydrophobicContact CZ-CG1 3.91Å; F406-V566 HydrophobicContact CZ-CG2 3.78Å; I507-V566 HydrophobicContact CB-CG1 4.49Å; I507-V566 HydrophobicContact CG1-CG1 4.09Å; I507-V566 HydrophobicContact CG2-CG1 3.92Å; F509-V566 HydrophobicContact CE1-CB 3.93Å; F509-V566 HydrophobicContact CE1-CG1 3.73Å; F509-V566 HydrophobicContact CE1-CG2 4.35Å; F509-V566 HydrophobicContact CZ-CB 3.99Å; F509-V566 HydrophobicContact CZ-CG1 3.77Å; L547-V566 HydrophobicContact CD1-CG2 4Å; L547-V566 HydrophobicContact CD2-CG2 4Å; L562-V566 HydrophobicContact CD1-CG2 4.2Å; L562-V566 HydrophobicContact CG-CG2 4.38Å; L562-V566 WeakPolarHBondContact O-CG2 3.33Å; L562-V566 PolarHBondContact O-N 2.67Å; M563-V566 PolarHBondContact O-N 3.03Å; N564-V566 VanDerWaalsContact C-N 3.34Å; N564-V566 PolarHBondContact O-N 3.11Å; V566-N568 VanDerWaalsContact C-N 3.32Å; V566-N568 PolarHBondContact O-N 2.91Å; V566-I569 PolarHBondContact O-N 2.87Å; V566-W571 HydrophobicContact CG1-CZ2 4.12Å; V566-W571 PolarHBondContact O-NE1 3.15Å |
| 567 | N | 91.6 | Very high | 86.2 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.9 | -25 | 178.4 | -76.9 | -33.4 | 0 | 0 | 0 | 113.6 | M563 N564 R565 | M563-N567 VanDerWaalsContact O-CB 3.31Å; M563-N567 WeakPolarHBondContact O-CB 3.27Å; M563-N567 VanDerWaalsContact O-CG 3.22Å; M563-N567 PolarHBondContact O-N 3.03Å; M563-N567 PolarHBondContact O-ND2 3.04Å; N564-N567 PolarHBondContact O-N 2.85Å; R565-N567 VanDerWaalsContact C-N 3.35Å; R565-N567 PolarHBondContact O-N 2.78Å |
| 568 | N | 89.2 | Confident | 87.9 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -80.4 | -17.8 | 178.4 | -71.5 | -27 | 0 | 0 | 0 | 113.2 | N564 R565 V566 | N564-N568 WeakPolarHBondContact O-CB 3.37Å; N564-N568 PolarHBondContact O-N 2.75Å; N564-N568 PolarHBondContact O-ND2 3.3Å; R565-N568 PolarHBondContact O-N 3.5Å; V566-N568 VanDerWaalsContact C-N 3.32Å; V566-N568 PolarHBondContact O-N 2.91Å |
| 569 | I | 89.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -69.8 | 134.6 | 176.6 | -67 | 167.7 | 0 | 0 | 0 | 110.1 | L547 L550 R565 V566 W571 | L547-I569 HydrophobicContact CD2-CD1 3.57Å; L550-I569 HydrophobicContact CB-CD1 4.03Å; L550-I569 HydrophobicContact CB-CG1 4.42Å; L550-I569 HydrophobicContact CB-CG2 4.49Å; L550-I569 HydrophobicContact CD1-CD1 4.08Å; L550-I569 HydrophobicContact CD1-CG2 4.42Å; R565-I569 PolarHBondContact O-N 3.49Å; V566-I569 PolarHBondContact O-N 2.87Å; I569-W571 HydrophobicContact CB-CZ2 4.05Å; I569-W571 HydrophobicContact CD1-CH2 4.34Å; I569-W571 HydrophobicContact CD1-CZ2 3.9Å; I569-W571 HydrophobicContact CG2-CD2 3.9Å; I569-W571 HydrophobicContact CG2-CE3 4.32Å; I569-W571 HydrophobicContact CG2-CG 4.29Å; I569-W571 HydrophobicContact CG2-CH2 4.29Å; I569-W571 HydrophobicContact CG2-CZ2 3.87Å; I569-W571 HydrophobicContact CG2-CZ3 4.49Å; I569-W571 PolarHBondContact O-N 2.79Å |
| 570 | K | 90.6 | Very high | 91.4 | Very high | 167 Ų | 167 | 64.3 Ų | 64.3 | 73% | 0.726 | 31% | 0.313 | S | S | * | . | trans | -83.5 | 94.3 | 170.5 | -72 | 179.1 | -177 | 171.4 | 0 | 109.8 | K572 | K570-K572 PolarHBondContact O-N 2.76Š| ||
| 571 | W | 92 | Very high | 92.5 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | trans | -70.9 | 91 | 178.7 | -63.7 | 96.5 | 0 | 0 | 0 | 112.3 | F406 P408 F409 I507 L550 V566 I569 E575 V576 L579 | F406-W571 AromaticContact CE2-CH2 3.62Å; F406-W571 HydrophobicContact CE2-CH2 3.62Å; F406-W571 AromaticContact CE2-CZ2 3.49Å; F406-W571 HydrophobicContact CE2-CZ2 3.49Å; F406-W571 VanDerWaalsContact CE2-CZ2 3.49Å; F406-W571 AromaticContact CZ-CH2 3.96Å; F406-W571 HydrophobicContact CZ-CH2 3.96Å; F406-W571 AromaticContact CZ-CZ2 3.97Å; F406-W571 HydrophobicContact CZ-CZ2 3.97Å; P408-W571 HydrophobicContact CB-CB 4.43Å; P408-W571 HydrophobicContact CB-CD2 4.36Å; P408-W571 HydrophobicContact CB-CE3 4.47Å; P408-W571 HydrophobicContact CB-CG 4.35Å; P408-W571 HydrophobicContact CG-CD2 4.21Å; P408-W571 HydrophobicContact CG-CE3 3.99Å; P408-W571 HydrophobicContact CG-CZ3 4.41Å; F409-W571 HydrophobicContact CE1-CB 4.25Å; I507-W571 HydrophobicContact CD1-CG 4.17Å; L550-W571 HydrophobicContact CD1-CH2 3.89Å; L550-W571 HydrophobicContact CD1-CZ3 4.07Å; V566-W571 HydrophobicContact CG1-CZ2 4.12Å; V566-W571 PolarHBondContact O-NE1 3.15Å; I569-W571 HydrophobicContact CB-CZ2 4.05Å; I569-W571 HydrophobicContact CD1-CH2 4.34Å; I569-W571 HydrophobicContact CD1-CZ2 3.9Å; I569-W571 HydrophobicContact CG2-CD2 3.9Å; I569-W571 HydrophobicContact CG2-CE3 4.32Å; I569-W571 HydrophobicContact CG2-CG 4.29Å; I569-W571 HydrophobicContact CG2-CH2 4.29Å; I569-W571 HydrophobicContact CG2-CZ2 3.87Å; I569-W571 HydrophobicContact CG2-CZ3 4.49Å; I569-W571 PolarHBondContact O-N 2.79Å; W571-E575 HydrophobicContact CE3-CB 4.05Å; W571-E575 HydrophobicContact CZ3-CB 4.27Å; W571-V576 HydrophobicContact CB-CG2 4.39Å; W571-V576 HydrophobicContact CE3-CG2 4.25Å; W571-L579 HydrophobicContact CH2-CB 4.45Å; W571-L579 HydrophobicContact CH2-CD1 4.34Å; W571-L579 HydrophobicContact CH2-CD2 3.93Å; W571-L579 HydrophobicContact CH2-CG 4.48Å; W571-L579 HydrophobicContact CZ3-CB 3.95Å; W571-L579 HydrophobicContact CZ3-CD2 3.81Å; W571-L579 HydrophobicContact CZ3-CG 4.35Å | ||
| 572 | K | 93.1 | Very high | 93 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | trans | -93.4 | 175.2 | 164.2 | -39.1 | 166.4 | -171.7 | 148.8 | 0 | 108.7 | K570 E574 E575 V576 | K570-K572 PolarHBondContact O-N 2.76Å; K572-E574 PolarHBondContact O-N 3.34Å; K572-E575 VanDerWaalsContact CA-OE2 3.31Å; K572-E575 WeakPolarHBondContact CA-OE2 3.45Å; K572-E575 WeakPolarHBondContact CB-OE2 3.23Å; K572-E575 WeakPolarHBondContact CG-OE2 3.25Å; K572-E575 PolarHBondContact N-OE2 2.82Å; K572-E575 PolarHBondContact O-N 3.19Å; K572-V576 VanDerWaalsContact O-CG2 3.29Å; K572-V576 WeakPolarHBondContact O-CG2 3.24Å; K572-V576 PolarHBondContact O-N 3.35Å | ||
| 573 | Q | 93.4 | Very high | 93.3 | Very high | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.8 | -36.1 | -177.9 | -165.9 | 62.8 | 28.5 | 0 | 0 | 112.5 | V576 E577 | Q573-V576 PolarHBondContact O-N 2.86Å; Q573-E577 HydrophobicContact CG-CG 4.48Å; Q573-E577 PolarHBondContact NE2-OE1 3.24Å; Q573-E577 WeakPolarHBondContact O-CG 3.42Å; Q573-E577 PolarHBondContact O-N 3Å |
| 574 | E | 94.7 | Very high | 93.4 | Very high | 135 Ų | 135 | 65.6 Ų | 65.6 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -49 | 179.6 | -174 | 173.5 | -176.8 | 0 | 0 | 112 | K572 V576 E577 Q578 | K572-E574 PolarHBondContact O-N 3.34Å; E574-V576 VanDerWaalsContact C-N 3.3Å; E574-V576 PolarHBondContact O-N 2.75Å; E574-E577 PolarHBondContact O-N 2.64Å; E574-Q578 WeakPolarHBondContact O-CG 3.18Å; E574-Q578 PolarHBondContact O-N 3.49Å |
| 575 | E | 95 | Very high | 93.6 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 178 | -63.2 | 78.3 | -169.4 | 0 | 0 | 111.5 | L550 W571 K572 Q578 L579 | L550-E575 HydrophobicContact CD2-CB 4.36Å; L550-E575 HydrophobicContact CD2-CG 4.06Å; W571-E575 HydrophobicContact CE3-CB 4.05Å; W571-E575 HydrophobicContact CZ3-CB 4.27Å; K572-E575 VanDerWaalsContact CA-OE2 3.31Å; K572-E575 WeakPolarHBondContact CA-OE2 3.45Å; K572-E575 WeakPolarHBondContact CB-OE2 3.23Å; K572-E575 WeakPolarHBondContact CG-OE2 3.25Å; K572-E575 PolarHBondContact N-OE2 2.82Å; K572-E575 PolarHBondContact O-N 3.19Å; E575-Q578 PolarHBondContact O-N 2.93Å; E575-L579 WeakPolarHBondContact O-CB 3.38Å; E575-L579 PolarHBondContact O-N 2.97Å |
| 576 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | P408 F414 W571 K572 Q573 E574 Q578 L579 K580 | P408-V576 HydrophobicContact CB-CG2 3.89Å; P408-V576 HydrophobicContact CG-CG2 4.02Å; F414-V576 HydrophobicContact CD2-CG1 4.29Å; F414-V576 HydrophobicContact CE2-CG1 4.2Å; W571-V576 HydrophobicContact CB-CG2 4.39Å; W571-V576 HydrophobicContact CE3-CG2 4.25Å; K572-V576 VanDerWaalsContact O-CG2 3.29Å; K572-V576 WeakPolarHBondContact O-CG2 3.24Å; K572-V576 PolarHBondContact O-N 3.35Å; Q573-V576 PolarHBondContact O-N 2.86Å; E574-V576 VanDerWaalsContact C-N 3.3Å; E574-V576 PolarHBondContact O-N 2.75Å; V576-Q578 VanDerWaalsContact C-N 3.31Å; V576-Q578 PolarHBondContact O-N 2.96Å; V576-L579 WeakPolarHBondContact O-CB 3.38Å; V576-L579 PolarHBondContact O-N 3.41Å; V576-K580 WeakPolarHBondContact O-CG 3.37Å; V576-K580 PolarHBondContact O-N 2.79Å |
| 577 | E | 95.9 | Very high | 94 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 177 | -70 | -51.7 | 133.6 | 0 | 0 | 112.1 | Q573 E574 K580 R581 | Q573-E577 HydrophobicContact CG-CG 4.48Å; Q573-E577 PolarHBondContact NE2-OE1 3.24Å; Q573-E577 WeakPolarHBondContact O-CG 3.42Å; Q573-E577 PolarHBondContact O-N 3Å; E574-E577 PolarHBondContact O-N 2.64Å; E577-K580 PolarHBondContact O-N 2.68Å; E577-K580 IonicContact OE1-NZ 3.48Å; E577-K580 PolarHBondContact OE1-NZ 3.47Å; E577-R581 WeakPolarHBondContact O-CG 3.44Å; E577-R581 PolarHBondContact O-N 3.41Å; E577-R581 VanDerWaalsContact O-N 3.1Å |
| 578 | Q | 96.3 | Very high | 94.3 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 171.1 | -69.2 | -178.6 | 37.5 | 0 | 0 | 111.6 | F546 E574 E575 V576 R581 F582 | F546-Q578 HydrophobicContact CE2-CB 4.21Å; F546-Q578 HydrophobicContact CZ-CB 4.37Å; E574-Q578 WeakPolarHBondContact O-CG 3.18Å; E574-Q578 PolarHBondContact O-N 3.49Å; E575-Q578 PolarHBondContact O-N 2.93Å; V576-Q578 VanDerWaalsContact C-N 3.31Å; V576-Q578 PolarHBondContact O-N 2.96Å; Q578-R581 PolarHBondContact O-N 3.05Å; Q578-F582 WeakPolarHBondContact O-CB 3.46Å; Q578-F582 PolarHBondContact O-N 3.04Å |
| 579 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.3 | -178.5 | 69.4 | 0 | 0 | 0 | 112.3 | F406 P408 F414 F546 W571 E575 V576 R581 F582 Y583 | F406-L579 HydrophobicContact CD2-CD2 4.09Å; F406-L579 HydrophobicContact CE2-CD1 3.98Å; F406-L579 HydrophobicContact CE2-CD2 3.49Å; F406-L579 VanDerWaalsContact CE2-CD2 3.49Å; F406-L579 HydrophobicContact CE2-CG 4.41Å; F406-L579 HydrophobicContact CZ-CD1 3.73Å; F406-L579 HydrophobicContact CZ-CD2 4.14Å; P408-L579 HydrophobicContact CG-CD2 3.55Å; F414-L579 HydrophobicContact CE2-CD2 4.14Å; F414-L579 HydrophobicContact CZ-CD2 3.78Å; F414-L579 HydrophobicContact CZ-CG 4.1Å; F546-L579 HydrophobicContact CD1-CD1 4.36Å; F546-L579 HydrophobicContact CE1-CB 4.35Å; F546-L579 HydrophobicContact CE1-CD1 3.56Å; F546-L579 HydrophobicContact CZ-CB 4.07Å; F546-L579 HydrophobicContact CZ-CD1 4.09Å; W571-L579 HydrophobicContact CH2-CB 4.45Å; W571-L579 HydrophobicContact CH2-CD1 4.34Å; W571-L579 HydrophobicContact CH2-CD2 3.93Å; W571-L579 HydrophobicContact CH2-CG 4.48Å; W571-L579 HydrophobicContact CZ3-CB 3.95Å; W571-L579 HydrophobicContact CZ3-CD2 3.81Å; W571-L579 HydrophobicContact CZ3-CG 4.35Å; E575-L579 WeakPolarHBondContact O-CB 3.38Å; E575-L579 PolarHBondContact O-N 2.97Å; V576-L579 WeakPolarHBondContact O-CB 3.38Å; V576-L579 PolarHBondContact O-N 3.41Å; L579-R581 VanDerWaalsContact C-N 3.31Å; L579-R581 PolarHBondContact O-N 3.2Å; L579-F582 HydrophobicContact CD1-CD1 4.22Å; L579-F582 WeakPolarHBondContact O-CB 3.32Å; L579-F582 PolarHBondContact O-N 3.17Å; L579-F582 VanDerWaalsContact O-N 3.14Å; L579-Y583 HydrophobicContact CD1-CD2 4Å; L579-Y583 HydrophobicContact CD1-CE2 3.51Å; L579-Y583 HydrophobicContact CD2-CE2 3.93Å; L579-Y583 HydrophobicContact CG-CD2 3.84Å; L579-Y583 HydrophobicContact CG-CE2 3.57Å; L579-Y583 PolarHBondContact O-N 3.41Å |
| 580 | K | 95.4 | Very high | 95 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 19% | 0.191 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 174.3 | -72.1 | 176 | -176.6 | 171.3 | 0 | 111.3 | F414 V576 E577 F582 K584 | F414-K580 HydrophobicContact CD2-CD 4.46Å; F414-K580 HydrophobicContact CD2-CG 3.98Å; F414-K580 HydrophobicContact CE2-CD 4.45Å; F414-K580 HydrophobicContact CE2-CG 3.55Å; F414-K580 HydrophobicContact CZ-CG 4.17Å; V576-K580 WeakPolarHBondContact O-CG 3.37Å; V576-K580 PolarHBondContact O-N 2.79Å; E577-K580 PolarHBondContact O-N 2.68Å; E577-K580 IonicContact OE1-NZ 3.48Å; E577-K580 PolarHBondContact OE1-NZ 3.47Å; K580-F582 VanDerWaalsContact C-N 3.34Å; K580-K584 WeakPolarHBondContact O-CB 3.41Å; K580-K584 PolarHBondContact O-N 2.76Å; K580-K584 VanDerWaalsContact O-N 3.15Å |
| 581 | R | 94.9 | Very high | 95.2 | Very high | 175 Ų | 175 | 56.2 Ų | 56.2 | 66% | 0.66 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 176 | -71.2 | 175.3 | -174.1 | 179.4 | 3.1 | 111.9 | E577 Q578 L579 K584 N585 | E577-R581 WeakPolarHBondContact O-CG 3.44Å; E577-R581 PolarHBondContact O-N 3.41Å; E577-R581 VanDerWaalsContact O-N 3.1Å; Q578-R581 PolarHBondContact O-N 3.05Å; L579-R581 VanDerWaalsContact C-N 3.31Å; L579-R581 PolarHBondContact O-N 3.2Å; R581-K584 PolarHBondContact O-N 3.23Å; R581-N585 PolarHBondContact O-N 3.12Å; R581-N585 PolarHBondContact O-ND2 3.48Å |
| 582 | F | 96.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -54.6 | 175.9 | 169.7 | -102.4 | 0 | 0 | 0 | 110.9 | I538 S542 L543 F546 Q578 L579 K580 K584 N585 A586 | I538-F582 HydrophobicContact CD1-CE1 4.16Å; I538-F582 HydrophobicContact CD1-CZ 4.17Å; I538-F582 HydrophobicContact CG1-CE1 3.52Å; I538-F582 HydrophobicContact CG1-CZ 3.56Å; S542-F582 WeakPolarHBondContact O-CE2 3.5Å; L543-F582 VanDerWaalsContact CA-CZ 3.47Å; L543-F582 HydrophobicContact CB-CE1 4.33Å; L543-F582 HydrophobicContact CB-CZ 3.98Å; L543-F582 HydrophobicContact CD1-CE1 3.69Å; L543-F582 HydrophobicContact CD1-CZ 4.1Å; F546-F582 HydrophobicContact CB-CD2 3.6Å; F546-F582 HydrophobicContact CB-CE2 3.54Å; F546-F582 HydrophobicContact CB-CG 4.15Å; F546-F582 HydrophobicContact CB-CZ 4.05Å; F546-F582 HydrophobicContact CD1-CD1 4.04Å; F546-F582 HydrophobicContact CD1-CD2 4.37Å; F546-F582 HydrophobicContact CD1-CE1 4.36Å; F546-F582 HydrophobicContact CD1-CG 4.04Å; F546-F582 HydrophobicContact CD2-CB 3.81Å; F546-F582 AromaticContact CD2-CD2 3.79Å; F546-F582 HydrophobicContact CD2-CD2 3.79Å; F546-F582 AromaticContact CD2-CG 3.82Å; F546-F582 HydrophobicContact CD2-CG 3.82Å; F546-F582 HydrophobicContact CE1-CB 4.49Å; F546-F582 HydrophobicContact CE1-CD1 4.42Å; F546-F582 HydrophobicContact CE1-CG 4.44Å; F546-F582 HydrophobicContact CE2-CB 3.78Å; F546-F582 HydrophobicContact CE2-CG 4.23Å; F546-F582 HydrophobicContact CG-CB 4.18Å; F546-F582 HydrophobicContact CG-CD1 4.13Å; F546-F582 AromaticContact CG-CD2 3.64Å; F546-F582 HydrophobicContact CG-CD2 3.64Å; F546-F582 HydrophobicContact CG-CE1 4.48Å; F546-F582 HydrophobicContact CG-CE2 4.05Å; F546-F582 AromaticContact CG-CG 3.7Å; F546-F582 HydrophobicContact CG-CG 3.7Å; F546-F582 HydrophobicContact CG-CZ 4.47Å; F546-F582 HydrophobicContact CZ-CB 4.13Å; Q578-F582 WeakPolarHBondContact O-CB 3.46Å; Q578-F582 PolarHBondContact O-N 3.04Å; L579-F582 HydrophobicContact CD1-CD1 4.22Å; L579-F582 WeakPolarHBondContact O-CB 3.32Å; L579-F582 PolarHBondContact O-N 3.17Å; L579-F582 VanDerWaalsContact O-N 3.14Å; K580-F582 VanDerWaalsContact C-N 3.34Å; F582-K584 PolarHBondContact O-N 3.05Å; F582-N585 PolarHBondContact O-N 3.36Å; F582-N585 VanDerWaalsContact O-N 3.07Å; F582-A586 HydrophobicContact CD2-CB 3.64Å; F582-A586 HydrophobicContact CE1-CB 4.44Å; F582-A586 HydrophobicContact CE2-CB 3.33Å; F582-A586 HydrophobicContact CG-CB 4.3Å; F582-A586 HydrophobicContact CZ-CB 3.76Å; F582-A586 VanDerWaalsContact O-CB 3.24Å; F582-A586 WeakPolarHBondContact O-CB 3.4Å; F582-A586 PolarHBondContact O-N 3.35Å |
| 583 | Y | 95.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 50 Ų | 50 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -30 | 179 | -77 | -51.9 | 0 | 0 | 0 | 113.9 | N404 N405 F406 F414 L416 I538 L579 | N404-Y583 PolarHBondContact O-OH 3.5Å; N405-Y583 WeakPolarHBondContact CA-OH 3.09Å; F406-Y583 VanDerWaalsContact CD1-OH 3.25Å; F406-Y583 WeakPolarHBondContact CD1-OH 3.15Å; F406-Y583 WeakPolarHBondContact CE1-OH 3.5Å; F406-Y583 PolarHBondContact N-OH 2.97Å; F414-Y583 HydrophobicContact CE1-CD2 4.19Å; F414-Y583 HydrophobicContact CE1-CE2 4.25Å; F414-Y583 AromaticContact CZ-CD2 3.98Å; F414-Y583 HydrophobicContact CZ-CD2 3.98Å; F414-Y583 HydrophobicContact CZ-CE2 4.09Å; L416-Y583 HydrophobicContact CD2-CD1 4.24Å; L416-Y583 HydrophobicContact CD2-CD2 3.57Å; L416-Y583 HydrophobicContact CD2-CE1 4.3Å; L416-Y583 HydrophobicContact CD2-CE2 3.62Å; L416-Y583 HydrophobicContact CD2-CG 3.9Å; I538-Y583 HydrophobicContact CB-CD1 4.27Å; I538-Y583 HydrophobicContact CB-CE1 4.09Å; I538-Y583 HydrophobicContact CD1-CD1 4.26Å; I538-Y583 HydrophobicContact CG1-CD1 4.19Å; I538-Y583 HydrophobicContact CG1-CE1 4.29Å; I538-Y583 HydrophobicContact CG2-CE1 4.02Å; L579-Y583 HydrophobicContact CD1-CD2 4Å; L579-Y583 HydrophobicContact CD1-CE2 3.51Å; L579-Y583 HydrophobicContact CD2-CE2 3.93Å; L579-Y583 HydrophobicContact CG-CD2 3.84Å; L579-Y583 HydrophobicContact CG-CE2 3.57Å; L579-Y583 PolarHBondContact O-N 3.41Å |
| 584 | K | 92.9 | Very high | 95.4 | Very high | 111 Ų | 111 | 45 Ų | 45 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.7 | -29 | 177.3 | -172.8 | 171.9 | -178.3 | 173.1 | 0 | 113.7 | K580 R581 F582 P609 | K580-K584 WeakPolarHBondContact O-CB 3.41Å; K580-K584 PolarHBondContact O-N 2.76Å; K580-K584 VanDerWaalsContact O-N 3.15Å; R581-K584 PolarHBondContact O-N 3.23Å; F582-K584 PolarHBondContact O-N 3.05Å; K584-P609 WeakPolarHBondContact O-CG 3.28Å |
| 585 | N | 94 | Very high | 94.9 | Very high | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -122.6 | -22.7 | -166 | -62.7 | -71 | 0 | 0 | 0 | 114.6 | R581 F582 | R581-N585 PolarHBondContact O-N 3.12Å; R581-N585 PolarHBondContact O-ND2 3.48Å; F582-N585 PolarHBondContact O-N 3.36Å; F582-N585 VanDerWaalsContact O-N 3.07Å |
| 586 | A | 94.9 | Very high | 94.2 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -70.4 | 150.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I538 F582 I588 P609 | I538-A586 HydrophobicContact CD1-CB 3.5Å; I538-A586 HydrophobicContact CG1-CB 4.29Å; F582-A586 HydrophobicContact CD2-CB 3.64Å; F582-A586 HydrophobicContact CE1-CB 4.44Å; F582-A586 HydrophobicContact CE2-CB 3.33Å; F582-A586 HydrophobicContact CG-CB 4.3Å; F582-A586 HydrophobicContact CZ-CB 3.76Å; F582-A586 VanDerWaalsContact O-CB 3.24Å; F582-A586 WeakPolarHBondContact O-CB 3.4Å; F582-A586 PolarHBondContact O-N 3.35Å; A586-I588 PolarHBondContact O-N 2.9Å; A586-P609 VanDerWaalsContact O-CD 3.28Å; A586-P609 WeakPolarHBondContact O-CD 3.49Å |
| 587 | P | 96.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 46 Ų | 46 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 138.9 | 174.6 | -23.7 | 32 | 0 | 0 | 0 | 112 | S539 S542 R607 F608 | S539-P587 WeakPolarHBondContact CB-O 3.25Å; S539-P587 PolarHBondContact N-O 3.48Å; S542-P587 WeakPolarHBondContact OG-CD 3.39Å; P587-R607 CarbonylContact C-O 3.58Å; P587-R607 WeakPolarHBondContact CA-O 3.36Å; P587-F608 HydrophobicContact CG-CD1 4.38Å; P587-F608 HydrophobicContact CG-CE1 3.84Å; P587-F608 HydrophobicContact CG-CZ 4.35Å |
| 588 | I | 96.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 147.5 | 174.8 | 61.8 | 174.8 | 0 | 0 | 0 | 110.5 | Y419 D537 A586 M590 Y606 R607 | Y419-I588 HydrophobicContact CD1-CD1 4.48Å; Y419-I588 HydrophobicContact CD2-CD1 3.54Å; Y419-I588 HydrophobicContact CD2-CG2 4.23Å; Y419-I588 HydrophobicContact CE2-CD1 4.34Å; Y419-I588 HydrophobicContact CE2-CG2 4.22Å; Y419-I588 HydrophobicContact CG-CD1 3.66Å; D537-I588 CarbonylContact O-C 3.57Å; D537-I588 WeakPolarHBondContact O-CA 3.46Å; D537-I588 WeakPolarHBondContact O-CB 3.48Å; A586-I588 PolarHBondContact O-N 2.9Å; I588-M590 HydrophobicContact CD1-SD 3.75Å; I588-M590 HydrophobicContact CG1-SD 4.45Å; I588-Y606 WeakPolarHBondContact O-CA 3.38Å; I588-R607 HydrophobicContact CD1-CB 4.27Å; I588-R607 HydrophobicContact CG1-CB 3.89Å; I588-R607 WeakPolarHBondContact CG1-O 3.31Å; I588-R607 PolarHBondContact N-O 2.94Å; I588-R607 PolarHBondContact O-N 3.24Å |
| 589 | E | 96.3 | Very high | 93.1 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 15% | 0.15 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.7 | 164.9 | -75 | 176.6 | -148.9 | 0 | 0 | 108.7 | S536 D537 S539 I540 H591 I605 Y606 | S536-E589 CarbonylContact C-O 3.58Å; S536-E589 VanDerWaalsContact CA-O 3.25Å; S536-E589 WeakPolarHBondContact CA-O 3.2Å; D537-E589 PolarHBondContact N-O 2.94Å; D537-E589 PolarHBondContact O-N 3.5Å; S539-E589 WeakPolarHBondContact CA-OE1 3.48Å; I540-E589 PolarHBondContact N-OE1 3.43Å; I540-E589 VanDerWaalsContact N-OE1 3.12Å; E589-H591 PolarHBondContact O-CD2 3.17Å; E589-I605 CarbonylContact C-O 3.59Å; E589-I605 WeakPolarHBondContact CA-O 3.12Å; E589-I605 HydrophobicContact CG-CG2 4.36Å; E589-Y606 HydrophobicContact CG-CD1 3.71Å; E589-Y606 HydrophobicContact CG-CE1 3.32Å; E589-Y606 WeakPolarHBondContact OE1-CE1 3.39Å |
| 590 | M | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.3 | 175.5 | -74.8 | -57.4 | -51.3 | 0 | 0 | 110.6 | Y419 D421 K535 I588 R599 I605 R607 | Y419-M590 VanDerWaalsContact O-CE 3.23Å; Y419-M590 WeakPolarHBondContact O-CE 3.45Å; D421-M590 HydrophobicContact CB-CE 4.13Å; D421-M590 HydrophobicContact CB-CG 4.41Å; D421-M590 HydrophobicContact CB-SD 3.93Å; D421-M590 WeakPolarHBondContact OD1-CE 3.33Å; K535-M590 WeakPolarHBondContact O-CE 3.49Å; I588-M590 HydrophobicContact CD1-SD 3.75Å; I588-M590 HydrophobicContact CG1-SD 4.45Å; M590-R599 VanDerWaalsContact O-CZ 3.25Å; M590-R599 PolarHBondContact O-NH1 3.11Å; M590-R599 PolarHBondContact O-NH2 2.87Å; M590-I605 PolarHBondContact N-O 3.08Å; M590-R607 HydrophobicContact CG-CB 4.1Å; M590-R607 HydrophobicContact CG-CG 3.52Å |
| 591 | H | 95.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 88.3 | 171.4 | -75.2 | -126.9 | 0 | 0 | 0 | 107.5 | V400 L533 K535 E589 | V400-H591 HydrophobicContact CG2-CB 3.84Å; V400-H591 VanDerWaalsContact CG2-CG 3.45Å; L533-H591 CarbonylContact C-O 3.54Å; K535-H591 HydrophobicContact CB-CB 4.33Å; K535-H591 PolarHBondContact N-O 3.13Å; K535-H591 WeakPolarHBondContact O-CA 3.29Å; K535-H591 PolarHBondContact O-N 2.86Å; E589-H591 PolarHBondContact O-CD2 3.17Å |
| 592 | C | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 85.6 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 107.1 | C424 L533 I600 | C424-C592 HydrophobicContact CB-CB 3.83Å; C424-C592 WeakPolarHBondContact CB-SG 3.47Å; C424-C592 WeakPolarHBondContact SG-CB 2.98Å; C424-C592 CovalentContact SG-SG 2.04Å; C424-C592 PolarHBondContact SG-SG 3.26Å; L533-C592 WeakPolarHBondContact O-CA 3.29Å; C592-I600 WeakPolarHBondContact O-CB 3.29Å; C592-I600 WeakPolarHBondContact O-CG1 3.42Å; C592-I600 PolarHBondContact O-N 3.44Å |
| 593 | N | 94.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 51.8 Ų | 51.8 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 146.1 | -170.5 | -57 | -16.2 | 0 | 0 | 0 | 112.5 | E532 L533 T598 R599 | E532-N593 PolarHBondContact N-O 3.25Å; E532-N593 VanDerWaalsContact N-O 3.13Å; L533-N593 HydrophobicContact CB-CB 4.11Å; L533-N593 HydrophobicContact CD1-CB 4.15Å; L533-N593 PolarHBondContact N-O 2.96Å; L533-N593 VanDerWaalsContact N-O 3.17Å; L533-N593 PolarHBondContact O-N 2.86Å; N593-T598 CarbonylContact C-O 3.52Å; N593-T598 VanDerWaalsContact CA-O 3.31Å; N593-T598 WeakPolarHBondContact CA-O 3.32Å; N593-R599 WeakPolarHBondContact OD1-CA 3.24Å |
| 594 | S | 92.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 169.7 | 178 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | D530 S596 G597 T598 | D530-S594 CarbonylContact O-C 3.56Å; D530-S594 WeakPolarHBondContact O-CA 3.48Å; D530-S594 WeakPolarHBondContact O-CB 3.49Å; D530-S594 VanDerWaalsContact OD2-CB 3.26Å; D530-S594 WeakPolarHBondContact OD2-CB 3.48Å; S594-S596 PolarHBondContact O-N 2.97Å; S594-S596 VanDerWaalsContact O-N 3.14Å; S594-S596 PolarHBondContact OG-OG 3.39Å; S594-G597 WeakPolarHBondContact O-CA 3.41Å; S594-G597 PolarHBondContact O-N 3.44Å; S594-T598 PolarHBondContact N-O 3.41Å; S594-T598 PolarHBondContact OG-N 3.38Å; S594-T598 PolarHBondContact OG-O 3.07Å; S594-T598 PolarHBondContact OG-OG1 2.93Å |
| 595 | S | 83.2 | Confident | 92.3 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.6 | 170.4 | -70.4 | 0 | 0 | 0 | 0 | 114.5 | D530 E532 G597 | D530-S595 PolarHBondContact O-N 3.23Å; E532-S595 WeakPolarHBondContact OE2-CA 3.36Å; E532-S595 WeakPolarHBondContact OE2-CB 3.11Å; E532-S595 PolarHBondContact OE2-OG 3.48Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 3.29Å |
| 596 | S | 81.2 | Confident | 92.3 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 2.8 | 171.6 | 60 | 0 | 0 | 0 | 0 | 113.9 | S594 T598 | S594-S596 PolarHBondContact O-N 2.97Å; S594-S596 VanDerWaalsContact O-N 3.14Å; S594-S596 PolarHBondContact OG-OG 3.39Å; S596-T598 VanDerWaalsContact C-N 3.25Å; S596-T598 PolarHBondContact O-N 3.23Å; S596-T598 PolarHBondContact OG-OG1 3.43Å |
| 597 | G | 82.5 | Confident | 92.3 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 75.5 | 8.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S594 S595 | S594-G597 WeakPolarHBondContact O-CA 3.41Å; S594-G597 PolarHBondContact O-N 3.44Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 3.29Å |
| 598 | T | 90.2 | Very high | 92.2 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 146.9 | -179.3 | 62 | 0 | 0 | 0 | 0 | 112 | N593 S594 S596 I600 | N593-T598 CarbonylContact C-O 3.52Å; N593-T598 VanDerWaalsContact CA-O 3.31Å; N593-T598 WeakPolarHBondContact CA-O 3.32Å; S594-T598 PolarHBondContact N-O 3.41Å; S594-T598 PolarHBondContact OG-N 3.38Å; S594-T598 PolarHBondContact OG-O 3.07Å; S594-T598 PolarHBondContact OG-OG1 2.93Å; S596-T598 VanDerWaalsContact C-N 3.25Å; S596-T598 PolarHBondContact O-N 3.23Å; S596-T598 PolarHBondContact OG-OG1 3.43Å; T598-I600 PolarHBondContact O-N 3.23Å |
| 599 | R | 93.5 | Very high | 92 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -64.4 | 133.5 | 178.4 | -168.6 | -178.6 | -166.8 | 98.4 | 16.5 | 111.5 | M590 N593 K601 S603 K604 I605 | M590-R599 VanDerWaalsContact O-CZ 3.25Å; M590-R599 PolarHBondContact O-NH1 3.11Å; M590-R599 PolarHBondContact O-NH2 2.87Å; N593-R599 WeakPolarHBondContact OD1-CA 3.24Å; R599-K601 PolarHBondContact O-N 3.25Å; R599-S603 WeakPolarHBondContact CG-OG 3.38Å; R599-S603 PolarHBondContact NE-OG 3.27Å; R599-S603 VanDerWaalsContact NE-OG 3.09Å; R599-K604 PolarHBondContact NH2-O 3.46Å; R599-I605 VanDerWaalsContact NH2-CA 3.3Å |
| 600 | I | 94 | Very high | 91.8 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 129.6 | 174 | -62.6 | -65.9 | 0 | 0 | 0 | 109.9 | I427 T428 L531 C592 T598 N602 S603 | I427-I600 HydrophobicContact CG2-CG2 4.12Å; T428-I600 HydrophobicContact CG2-CB 4.32Å; T428-I600 HydrophobicContact CG2-CD1 4.3Å; T428-I600 HydrophobicContact CG2-CG1 3.88Å; T428-I600 HydrophobicContact CG2-CG2 3.81Å; L531-I600 HydrophobicContact CD1-CG1 4.47Å; C592-I600 WeakPolarHBondContact O-CB 3.29Å; C592-I600 WeakPolarHBondContact O-CG1 3.42Å; C592-I600 PolarHBondContact O-N 3.44Å; T598-I600 PolarHBondContact O-N 3.23Å; I600-N602 PolarHBondContact O-N 3.43Å; I600-S603 WeakPolarHBondContact O-CB 3.32Å; I600-S603 PolarHBondContact O-N 3.48Å; I600-S603 PolarHBondContact O-OG 2.99Å |
| 601 | K | 92.6 | Very high | 91.4 | Very high | 169 Ų | 169 | 71.8 Ų | 71.8 | 74% | 0.735 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 136.4 | -178.9 | -169.4 | 178.5 | -179.6 | 179.3 | 0 | 110.9 | R599 S603 | R599-K601 PolarHBondContact O-N 3.25Å; K601-S603 PolarHBondContact O-N 3.44Å |
| 602 | N | 91.2 | Very high | 91 | Very high | 125 Ų | 125 | 69.9 Ų | 69.9 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 3.2 | -178.9 | -48.4 | -38.3 | 0 | 0 | 0 | 116 | Q423 I427 I600 K604 | Q423-N602 PolarHBondContact NE2-O 3.4Å; I427-N602 HydrophobicContact CD1-CB 4.48Å; I600-N602 PolarHBondContact O-N 3.43Å; N602-K604 PolarHBondContact O-N 3.4Å |
| 603 | S | 91.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 71.8 Ų | 71.8 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -65.7 | 131.4 | 169.1 | 63.3 | 0 | 0 | 0 | 0 | 110 | R599 I600 K601 | R599-S603 WeakPolarHBondContact CG-OG 3.38Å; R599-S603 PolarHBondContact NE-OG 3.27Å; R599-S603 VanDerWaalsContact NE-OG 3.09Å; I600-S603 WeakPolarHBondContact O-CB 3.32Å; I600-S603 PolarHBondContact O-N 3.48Å; I600-S603 PolarHBondContact O-OG 2.99Å; K601-S603 PolarHBondContact O-N 3.44Å | ||
| 604 | K | 90.8 | Very high | 89.4 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | trans | -70.2 | 148.1 | 175.3 | -73.6 | 172.5 | -177.7 | -175.6 | 0 | 109.6 | Q423 R599 N602 | Q423-K604 VanDerWaalsContact OE1-CG 3.28Å; R599-K604 PolarHBondContact NH2-O 3.46Å; N602-K604 PolarHBondContact O-N 3.4Å | ||
| 605 | I | 93.4 | Very high | 88.3 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -84.8 | -61.2 | 176.9 | -51.2 | -175.9 | 0 | 0 | 0 | 109.7 | E589 M590 R599 | E589-I605 CarbonylContact C-O 3.59Å; E589-I605 WeakPolarHBondContact CA-O 3.12Å; E589-I605 HydrophobicContact CG-CG2 4.36Å; M590-I605 PolarHBondContact N-O 3.08Å; R599-I605 VanDerWaalsContact NH2-CA 3.3Å |
| 606 | Y | 94.8 | Very high | 87.1 | Confident | 112 Ų | 112 | 80.1 Ų | 80.1 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.8 | -176.7 | -58.8 | -75.7 | 0 | 0 | 0 | 111.6 | I588 E589 | I588-Y606 WeakPolarHBondContact O-CA 3.38Å; E589-Y606 HydrophobicContact CG-CD1 3.71Å; E589-Y606 HydrophobicContact CG-CE1 3.32Å; E589-Y606 WeakPolarHBondContact OE1-CE1 3.39Å |
| 607 | R | 94.8 | Very high | 85.8 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 21% | 0.211 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.5 | 174.5 | -62.8 | -61.5 | -64.1 | -124.3 | -5.7 | 109.6 | D421 P587 I588 M590 | D421-R607 IonicContact OD2-CZ 3.32Å; D421-R607 IonicContact OD2-NE 3.78Å; D421-R607 PolarHBondContact OD2-NE 3.37Å; D421-R607 IonicContact OD2-NH1 2.79Å; D421-R607 PolarHBondContact OD2-NH1 3.29Å; D421-R607 IonicContact OD2-NH2 2.87Å; D421-R607 PolarHBondContact OD2-NH2 3.17Å; P587-R607 CarbonylContact C-O 3.58Å; P587-R607 WeakPolarHBondContact CA-O 3.36Å; I588-R607 HydrophobicContact CD1-CB 4.27Å; I588-R607 HydrophobicContact CG1-CB 3.89Å; I588-R607 WeakPolarHBondContact CG1-O 3.31Å; I588-R607 PolarHBondContact N-O 2.94Å; I588-R607 PolarHBondContact O-N 3.24Å; M590-R607 HydrophobicContact CG-CB 4.1Å; M590-R607 HydrophobicContact CG-CG 3.52Å |
| 608 | F | 93.7 | Very high | 84 | Confident | 158 Ų | 158 | 85.6 Ų | 85.6 | 69% | 0.693 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 142.6 | 162.1 | -74.6 | -77.1 | 0 | 0 | 0 | 109 | P587 | P587-F608 HydrophobicContact CG-CD1 4.38Å; P587-F608 HydrophobicContact CG-CE1 3.84Å; P587-F608 HydrophobicContact CG-CZ 4.35Å |
| 609 | P | 93 | Very high | 82.1 | Confident | 17 Ų | 17 | 84.9 Ų | 84.9 | 11% | 0.11 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 136.8 | 175.9 | 25.2 | -32.9 | 0 | 0 | 0 | 110.1 | Y419 K584 A586 | Y419-P609 HydrophobicContact CE1-CB 3.81Å; Y419-P609 HydrophobicContact CE2-CB 3.9Å; Y419-P609 VanDerWaalsContact CZ-CB 3.43Å; Y419-P609 WeakPolarHBondContact OH-CB 3.33Å; K584-P609 WeakPolarHBondContact O-CG 3.28Å; A586-P609 VanDerWaalsContact O-CD 3.28Å; A586-P609 WeakPolarHBondContact O-CD 3.49Å |
| 610 | E | 92 | Very high | 79.7 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 137.8 | 175 | -171.1 | 160.3 | 178.4 | 0 | 0 | 110 | I456 T492 I494 | I456-E610 HydrophobicContact CD1-CG 4.45Å; I456-E610 WeakPolarHBondContact CG2-OE1 3.47Å; T492-E610 WeakPolarHBondContact CB-OE2 3.17Å; T492-E610 HydrophobicContact CG2-CB 4.29Å; T492-E610 WeakPolarHBondContact CG2-OE2 3.46Å; T492-E610 PolarHBondContact OG1-OE2 2.93Å; I494-E610 HydrophobicContact CD1-CB 4.31Å |
| 611 | I | 87.8 | Confident | 77.2 | Confident | 142 Ų | 142 | 91.6 Ų | 91.6 | 73% | 0.728 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 127.5 | -179 | -59.6 | 173.9 | 0 | 0 | 0 | 108.3 | P613 | I611-P613 WeakPolarHBondContact O-CD 3.44Š|
| 612 | I | 88.1 | Confident | 75.2 | Confident | 13 Ų | 13 | 86.8 Ų | 86.8 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | trans | -71.3 | 115.6 | 171.5 | -67.2 | 154.4 | 0 | 0 | 0 | 108.6 | Y454 I494 D615 | Y454-I612 HydrophobicContact CD1-CG2 4.07Å; Y454-I612 HydrophobicContact CD2-CD1 3.49Å; Y454-I612 VanDerWaalsContact CD2-CD1 3.49Å; Y454-I612 HydrophobicContact CD2-CG1 3.96Å; Y454-I612 HydrophobicContact CD2-CG2 4.37Å; Y454-I612 HydrophobicContact CE1-CG2 4.1Å; Y454-I612 HydrophobicContact CE2-CD1 3.51Å; Y454-I612 HydrophobicContact CE2-CG1 4.31Å; Y454-I612 HydrophobicContact CE2-CG2 4.38Å; Y454-I612 HydrophobicContact CG-CD1 4.3Å; Y454-I612 HydrophobicContact CG-CG1 4.29Å; Y454-I612 HydrophobicContact CG-CG2 4.2Å; I494-I612 HydrophobicContact CB-CD1 4.47Å; I494-I612 HydrophobicContact CD1-CD1 4.24Å; I494-I612 HydrophobicContact CD1-CG1 3.59Å; I494-I612 HydrophobicContact CG2-CD1 3.99Å; I494-I612 HydrophobicContact CG2-CG1 4.48Å; I612-D615 HydrophobicContact CB-CB 4.42Å; I612-D615 HydrophobicContact CG2-CB 4.18Å | ||
| 613 | P | 82.7 | Confident | 73.1 | Confident | 39 Ų | 39 | 87.9 Ų | 87.9 | 25% | 0.253 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 134.2 | 174.9 | -15.7 | 30.5 | 0 | 0 | 0 | 109.9 | G459 R461 I611 | G459-P613 VanDerWaalsContact O-CG 3.28Å; G459-P613 WeakPolarHBondContact O-CG 3.4Å; R461-P613 HydrophobicContact CB-CB 4.35Å; R461-P613 HydrophobicContact CB-CG 4.27Å; R461-P613 WeakPolarHBondContact CD-O 3.27Å; I611-P613 WeakPolarHBondContact O-CD 3.44Å |
| 614 | L | 75.1 | Confident | 71.3 | Confident | 150 Ų | 150 | 92.1 Ų | 92.1 | 79% | 0.785 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 58 | 179.2 | -57.2 | 166 | 0 | 0 | 0 | 111.1 | R461 D616 | R461-L614 PolarHBondContact NH1-O 3.04Å; L614-D616 PolarHBondContact O-N 3.45Å |
| 615 | D | 67.2 | Low | 70.1 | Confident | 39 Ų | 39 | 87.8 Ų | 87.8 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | trans | -68.9 | 100.1 | 176.1 | -167.5 | 1.9 | 0 | 0 | 0 | 109.3 | R496 I612 Q617 | R496-D615 IonicContact CZ-OD1 3.69Å; R496-D615 IonicContact CZ-OD2 2.64Å; R496-D615 VanDerWaalsContact CZ-OD2 3.26Å; R496-D615 IonicContact NH1-OD1 3.83Å; R496-D615 PolarHBondContact NH1-OD1 3.4Å; R496-D615 IonicContact NH1-OD2 2.95Å; R496-D615 PolarHBondContact NH1-OD2 3.15Å; R496-D615 IonicContact NH2-OD1 2.7Å; R496-D615 IonicContact NH2-OD2 3.21Å; R496-D615 PolarHBondContact NH2-OD2 3.09Å; I612-D615 HydrophobicContact CB-CB 4.42Å; I612-D615 HydrophobicContact CG2-CB 4.18Å; D615-Q617 VanDerWaalsContact C-N 3.32Å; D615-Q617 PolarHBondContact O-N 2.75Å | ||
| 616 | D | 59.8 | Low | 68.2 | Low | 68 Ų | 68 | 87.1 Ų | 87.1 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | trans | -65.2 | 90.7 | 179.7 | -54.9 | -49.5 | 0 | 0 | 0 | 109 | R461 L614 D618 | R461-D616 IonicContact CZ-OD2 3.29Å; R461-D616 IonicContact NH1-OD2 2.9Å; R461-D616 PolarHBondContact NH1-OD2 2.85Å; R461-D616 IonicContact NH2-OD2 3.03Å; L614-D616 PolarHBondContact O-N 3.45Å; D616-D618 PolarHBondContact O-N 2.78Å | ||
| 617 | Q | 52.8 | Low | 65.9 | Low | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.724 | 45% | 0.446 | S | S | * | . | trans | -72.3 | -6.2 | 168.9 | -70.8 | -155.8 | -34.7 | 0 | 0 | 112.2 | D615 | D615-Q617 VanDerWaalsContact C-N 3.32Å; D615-Q617 PolarHBondContact O-N 2.75Å | ||
| 618 | D | 44.3 | Very low | 63.2 | Low | 96 Ų | 96 | 92.8 Ų | 92.8 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | trans | -120.7 | 88.6 | -175.2 | -149.6 | -17.2 | 0 | 0 | 0 | 110.7 | D616 S620 | D616-D618 PolarHBondContact O-N 2.78Å; D618-S620 VanDerWaalsContact CG-OG 3.3Å; D618-S620 PolarHBondContact O-N 3.19Å; D618-S620 WeakPolarHBondContact OD1-CB 3.48Å; D618-S620 PolarHBondContact OD1-OG 2.92Å | ||
| 619 | D | 51.6 | Low | 60.4 | Low | 66 Ų | 66 | 91.5 Ų | 91.5 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 8 | 175.6 | -71.9 | -48.9 | 0 | 0 | 0 | 113.3 | K450 R467 N469 | K450-D619 IonicContact NZ-OD1 3.71Å; K450-D619 PolarHBondContact NZ-OD1 3.12Å; K450-D619 IonicContact NZ-OD2 3.75Å; K450-D619 PolarHBondContact NZ-OD2 2.93Å; R467-D619 IonicContact NH1-OD1 3.15Å; N469-D619 PolarHBondContact ND2-OD1 3.16Å |
| 620 | S | 42.3 | Very low | 57.7 | Low | 79 Ų | 79 | 99.1 Ų | 99.1 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13.1 | 179.4 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | D618 N622 | D618-S620 VanDerWaalsContact CG-OG 3.3Å; D618-S620 PolarHBondContact O-N 3.19Å; D618-S620 WeakPolarHBondContact OD1-CB 3.48Å; D618-S620 PolarHBondContact OD1-OG 2.92Å; S620-N622 PolarHBondContact O-N 2.92Å |
| 621 | Y | 41.4 | Very low | 54.9 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | trans | -86.7 | 103.5 | -176.5 | -92.1 | -93.2 | 0 | 0 | 0 | 112.7 | E623 | Y621-E623 PolarHBondContact O-N 3.04Å; Y621-E623 VanDerWaalsContact O-N 3.13Å | ||
| 622 | N | 50.3 | Low | 52.2 | Low | 68 Ų | 68 | 102.3 Ų | 102.3 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | trans | -74.2 | 88.9 | 159.3 | -102.5 | -8.4 | 0 | 0 | 0 | 108.5 | S171 S620 E624 C625 | S171-N622 PolarHBondContact OG-ND2 3.31Å; S620-N622 PolarHBondContact O-N 2.92Å; N622-E624 PolarHBondContact O-N 3.42Å; N622-C625 HydrophobicContact CB-CB 4.41Å; N622-C625 PolarHBondContact O-N 3.23Å | ||
| 623 | E | 47.6 | Very low | 49.3 | Very low | 148 Ų | 148 | 108.8 Ų | 108.8 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -51.8 | -26.6 | 174.4 | -78.9 | -170.7 | 155.9 | 0 | 0 | 112.8 | Y621 C625 S626 | Y621-E623 PolarHBondContact O-N 3.04Å; Y621-E623 VanDerWaalsContact O-N 3.13Å; E623-C625 VanDerWaalsContact C-N 3.32Å; E623-C625 PolarHBondContact O-N 3.3Å; E623-S626 PolarHBondContact O-N 3.28Å |
| 624 | E | 54.7 | Low | 46.8 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.1 | -28.7 | 179.4 | -69.6 | -171.8 | 166.1 | 0 | 0 | 113.7 | T163 N622 S626 | T163-E624 HydrophobicContact CG2-CB 4.01Å; T163-E624 WeakPolarHBondContact CG2-OE2 3.48Å; T163-E624 PolarHBondContact OG1-OE2 3.06Å; N622-E624 PolarHBondContact O-N 3.42Å; E624-S626 VanDerWaalsContact C-N 3.34Å |
| 625 | C | 65.3 | Low | 44.5 | Very low | 30 Ų | 30 | 117.8 Ų | 117.8 | 20% | 0.203 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -76.4 | -23.9 | -179.8 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | C165 N622 E623 | C165-C625 WeakPolarHBondContact CA-SG 3.07Å; C165-C625 HydrophobicContact CB-CB 3.86Å; C165-C625 WeakPolarHBondContact CB-SG 3.26Å; C165-C625 WeakPolarHBondContact SG-CA 3.05Å; C165-C625 WeakPolarHBondContact SG-CB 3.5Å; C165-C625 CovalentContact SG-SG 2.05Å; C165-C625 PolarHBondContact SG-SG 3.41Å; N622-C625 HydrophobicContact CB-CB 4.41Å; N622-C625 PolarHBondContact O-N 3.23Å; E623-C625 VanDerWaalsContact C-N 3.32Å; E623-C625 PolarHBondContact O-N 3.3Å |
| 626 | S | 52 | Low | 42.9 | Very low | 62 Ų | 62 | 125.1 Ų | 125.1 | 43% | 0.434 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.4 | -23.8 | -178.2 | -38.5 | 0 | 0 | 0 | 0 | 113.7 | E623 E624 N628 D629 | E623-S626 PolarHBondContact O-N 3.28Å; E624-S626 VanDerWaalsContact C-N 3.34Å; S626-N628 VanDerWaalsContact C-N 3.25Å; S626-N628 PolarHBondContact O-N 3.05Å; S626-D629 PolarHBondContact O-N 3.48Å |
| 627 | R | 46.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 128 Ų | 128 | 70% | 0.698 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -15.3 | -175.1 | -84.9 | -172.7 | 176 | 149.7 | 6.7 | 114.6 | ||
| 628 | N | 38.3 | Very low | 41.5 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | -21.1 | 179.5 | -73.9 | -17.8 | 0 | 0 | 0 | 113.4 | S626 | S626-N628 VanDerWaalsContact C-N 3.25Å; S626-N628 PolarHBondContact O-N 3.05Å |
| 629 | D | 35.9 | Very low | 41.4 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 70% | 0.695 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -81.3 | -16.1 | -175.6 | -72.5 | -19.7 | 0 | 0 | 0 | 113.7 | S626 N631 | S626-D629 PolarHBondContact O-N 3.48Å; D629-N631 PolarHBondContact O-N 3.44Å |
| 630 | E | 35.5 | Very low | 40.8 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -77.1 | 1 | 177.5 | -73.2 | -169 | 162.3 | 0 | 0 | 114.2 | ||
| 631 | N | 34.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -108.6 | 2.1 | 177.3 | -84.2 | -33.4 | 0 | 0 | 0 | 115.3 | D629 | D629-N631 PolarHBondContact O-N 3.44Š|
| 632 | D | 30.9 | Very low | 40.6 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | -108.3 | 55.8 | 176.2 | -94.4 | -17.9 | 0 | 0 | 0 | 112.1 | ||||
| 633 | D | 27.4 | Very low | 39.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | -98.3 | 61.9 | 162.8 | -134.9 | 8 | 0 | 0 | 0 | 109.1 | ||||
| 634 | W | 29.8 | Very low | 39.3 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -101.4 | 66.9 | 169.5 | -71.6 | 96.6 | 0 | 0 | 0 | 110.8 | ||||
| 635 | L | 27.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 71% | 0.708 | S | S | * | * | trans | -122.3 | 71.2 | 153.4 | -89.7 | 164.8 | 0 | 0 | 0 | 108.7 | ||||
| 636 | T | 33.4 | Very low | 35.6 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 100% | 1.184 | 75% | 0.754 | S | S | * | * | trans | -137.5 | 0 | 155.6 | 39.3 | 0 | 0 | 0 | 0 | 111 |
Retrieved 636 of 636 residues in 1334.6 ms
(Link to these results)