| 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 | 27.3 | Very low | 36.2 | Very low | 242 Ų | 242 | 106.4 Ų | 106.4 | 100% | 1.192 | 54% | 0.536 | S | S | * | . | 0 | 101.8 | 0 | -73.2 | 165.6 | 179.6 | 0 | 0 | 105 | |||||
| 2 | N | 23.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 101.2 Ų | 101.2 | 83% | 0.829 | 51% | 0.508 | S | S | * | . | trans | -85.9 | 148.3 | -167.5 | -90 | -4.1 | 0 | 0 | 0 | 111.4 | N4 | N2-N4 PolarHBondContact O-N 2.78Š| ||
| 3 | N | 23.3 | Very low | 40.8 | Very low | 162 Ų | 162 | 94.5 Ų | 94.5 | 87% | 0.866 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -57.2 | 35.3 | -176.1 | -71.9 | -26.3 | 0 | 0 | 0 | 117.7 | ||
| 4 | N | 25.2 | Very low | 44.1 | Very low | 145 Ų | 145 | 87.8 Ų | 87.8 | 78% | 0.775 | 44% | 0.443 | S | S | * | . | trans | -111.2 | 31.9 | 179.1 | -82.8 | 9.2 | 0 | 0 | 0 | 113.5 | N2 I6 | N2-N4 PolarHBondContact O-N 2.78Å; N4-I6 PolarHBondContact O-N 3.35Å | ||
| 5 | E | 28.8 | Very low | 47.2 | Very low | 116 Ų | 116 | 85.8 Ų | 85.8 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | trans | -79.4 | 73.1 | 163.6 | -62.3 | -166.4 | 160.6 | 0 | 0 | 108.6 | Y7 R55 | E5-Y7 HydrophobicContact CB-CD2 3.68Å; E5-Y7 HydrophobicContact CB-CE2 3.9Å; E5-Y7 HydrophobicContact CG-CD2 3.87Å; E5-Y7 HydrophobicContact CG-CE2 3.55Å; E5-R55 PolarHBondContact O-NH1 2.89Å; E5-R55 PolarHBondContact O-NH2 2.84Å | ||
| 6 | I | 30.3 | Very low | 50 | Low | 123 Ų | 123 | 80.4 Ų | 80.4 | 63% | 0.631 | 40% | 0.403 | S | S | * | . | trans | -92.9 | 69.3 | 152.6 | -55.2 | 176.4 | 0 | 0 | 0 | 104.6 | N4 E8 | N4-I6 PolarHBondContact O-N 3.35Å; I6-E8 PolarHBondContact O-N 3.38Å | ||
| 7 | Y | 39.1 | Very low | 52.6 | Low | 77 Ų | 77 | 75.7 Ų | 75.7 | 30% | 0.302 | 38% | 0.379 | S | S | . | . | trans | -79.8 | 104.8 | 161.7 | -67.7 | -68.6 | 0 | 0 | 0 | 104.6 | E5 D9 I323 H573 | E5-Y7 HydrophobicContact CB-CD2 3.68Å; E5-Y7 HydrophobicContact CB-CE2 3.9Å; E5-Y7 HydrophobicContact CG-CD2 3.87Å; E5-Y7 HydrophobicContact CG-CE2 3.55Å; Y7-D9 PolarHBondContact O-N 3.36Å; Y7-I323 PolarHBondContact OH-O 2.96Å; Y7-H573 AromaticContact CD1-NE2 3.36Å; Y7-H573 WeakPolarHBondContact CD1-NE2 3.03Å; Y7-H573 AromaticContact CE1-NE2 3.79Å | ||
| 8 | E | 46.3 | Very low | 55 | Low | 63 Ų | 63 | 71.5 Ų | 71.5 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -68.2 | 69.9 | 163.7 | -76 | -159.7 | 158 | 0 | 0 | 107.8 | I6 C13 K15 | I6-E8 PolarHBondContact O-N 3.38Å; E8-C13 HydrophobicContact CG-CB 4.42Å; E8-K15 IonicContact OE1-NZ 2.79Å; E8-K15 IonicContact OE2-NZ 3.2Å; E8-K15 PolarHBondContact OE2-NZ 3.2Å | ||
| 9 | D | 49.3 | Very low | 57 | Low | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | trans | -71.7 | 144.3 | 158.7 | -86.3 | -22.4 | 0 | 0 | 0 | 107.2 | Y7 N11 E12 C13 | Y7-D9 PolarHBondContact O-N 3.36Å; D9-N11 PolarHBondContact O-N 2.76Å; D9-E12 PolarHBondContact O-N 2.89Å; D9-C13 PolarHBondContact O-N 2.96Å | ||
| 10 | F | 52.2 | Low | 58.9 | Low | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | -27.8 | 174.6 | -163.3 | -77.4 | 0 | 0 | 0 | 113 | L14 T137 V141 F236 F246 I280 | F10-L14 HydrophobicContact CD1-CD1 4.36Å; F10-L14 HydrophobicContact CE1-CD1 3.59Å; F10-L14 HydrophobicContact CZ-CD1 3.7Å; F10-T137 HydrophobicContact CD2-CG2 4.23Å; F10-T137 VanDerWaalsContact CE2-CB 3.41Å; F10-T137 HydrophobicContact CE2-CG2 3.71Å; F10-T137 VanDerWaalsContact CE2-OG1 3.26Å; F10-T137 WeakPolarHBondContact CE2-OG1 3.17Å; F10-T137 HydrophobicContact CZ-CG2 4.15Å; F10-V141 HydrophobicContact CE2-CG1 4.35Å; F10-F236 HydrophobicContact CE1-CZ 4.25Å; F10-F236 HydrophobicContact CZ-CZ 4.49Å; F10-F246 AromaticContact CD1-CE2 3.89Å; F10-F246 HydrophobicContact CD1-CE2 3.89Å; F10-F246 AromaticContact CD1-CZ 3.61Å; F10-F246 HydrophobicContact CD1-CZ 3.61Å; F10-F246 HydrophobicContact CE1-CE1 4.05Å; F10-F246 HydrophobicContact CE1-CE2 4.06Å; F10-F246 AromaticContact CE1-CZ 3.5Å; F10-F246 HydrophobicContact CE1-CZ 3.5Å; F10-F246 VanDerWaalsContact CE1-CZ 3.5Å; F10-I280 WeakPolarHBondContact CB-O 3.49Å; F10-I280 HydrophobicContact CD1-CB 3.61Å; F10-I280 HydrophobicContact CD1-CD1 4.47Å; F10-I280 HydrophobicContact CD1-CG2 3.52Å; F10-I280 HydrophobicContact CD2-CG2 4.06Å; F10-I280 HydrophobicContact CE1-CB 3.78Å; F10-I280 HydrophobicContact CE1-CD1 3.82Å; F10-I280 HydrophobicContact CE1-CG1 4.42Å; F10-I280 HydrophobicContact CE1-CG2 3.54Å; F10-I280 HydrophobicContact CE2-CG2 4.03Å; F10-I280 HydrophobicContact CG-CB 4.26Å; F10-I280 HydrophobicContact CG-CG2 3.81Å; F10-I280 HydrophobicContact CZ-CD1 4.42Å; F10-I280 HydrophobicContact CZ-CG2 3.81Å |
| 11 | N | 53.3 | Low | 60.6 | Low | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.043 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.6 | 179 | -59.1 | -48 | 0 | 0 | 0 | 114.1 | D9 Y238 P243 G244 I280 | D9-N11 PolarHBondContact O-N 2.76Å; N11-Y238 PolarHBondContact O-OH 3.37Å; N11-P243 HydrophobicContact CB-CB 4.06Å; N11-G244 WeakPolarHBondContact O-CA 3.36Å; N11-G244 PolarHBondContact O-N 3.14Å; N11-G244 PolarHBondContact OD1-O 2.74Å; N11-I280 VanDerWaalsContact CG-O 3.31Å; N11-I280 PolarHBondContact ND2-O 2.78Å; N11-I280 VanDerWaalsContact ND2-O 3.13Å; N11-I280 PolarHBondContact OD1-N 2.85Å; N11-I280 PolarHBondContact OD1-O 3.39Å |
| 12 | E | 59.3 | Low | 63.6 | Low | 44 Ų | 44 | 54.2 Ų | 54.2 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -32.5 | 177.5 | -63.7 | -157.1 | 173.3 | 0 | 0 | 112.7 | D9 R55 | D9-E12 PolarHBondContact O-N 2.89Å; E12-R55 IonicContact OE1-NH2 3.89Å; E12-R55 PolarHBondContact OE1-NH2 2.96Å; E12-R55 IonicContact OE2-CZ 3.96Å; E12-R55 IonicContact OE2-NH2 3.46Å; E12-R55 PolarHBondContact OE2-NH2 3.14Å |
| 13 | C | 72.4 | Confident | 66.8 | Low | 15 Ų | 15 | 47.7 Ų | 47.7 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 101.1 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | E8 D9 L51 | E8-C13 HydrophobicContact CG-CB 4.42Å; D9-C13 PolarHBondContact O-N 2.96Å; C13-L51 WeakPolarHBondContact CA-O 3.46Å |
| 14 | L | 88.1 | Confident | 70 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.7 | 175.5 | 175.1 | 68.4 | 0 | 0 | 0 | 110.1 | F10 I16 L51 W103 L135 T137 F236 Y238 F246 | F10-L14 HydrophobicContact CD1-CD1 4.36Å; F10-L14 HydrophobicContact CE1-CD1 3.59Å; F10-L14 HydrophobicContact CZ-CD1 3.7Å; L14-I16 HydrophobicContact CD1-CG2 4.48Å; L14-I16 HydrophobicContact CD2-CG2 4.09Å; L14-I16 HydrophobicContact CG-CG2 3.93Å; L14-L51 HydrophobicContact CB-CB 4.25Å; L14-L51 HydrophobicContact CB-CD1 4.19Å; L14-L51 HydrophobicContact CD2-CD1 3.73Å; L14-L51 HydrophobicContact CG-CD1 4.06Å; L14-L51 PolarHBondContact N-O 3.41Å; L14-L51 VanDerWaalsContact N-O 3.12Å; L14-L51 WeakPolarHBondContact O-CB 3.33Å; L14-L51 PolarHBondContact O-N 3.2Å; L14-W103 HydrophobicContact CD2-CH2 3.94Å; L14-L135 HydrophobicContact CD1-CD2 4.04Å; L14-T137 HydrophobicContact CD1-CG2 4.03Å; L14-F236 HydrophobicContact CD1-CE1 4.28Å; L14-F236 HydrophobicContact CD2-CE1 3.94Å; L14-Y238 HydrophobicContact CD2-CG 4.25Å; L14-F246 HydrophobicContact CD2-CE1 4.14Å |
| 15 | K | 89.5 | Confident | 73.1 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.9 | 178.4 | -67.4 | 172.2 | -175 | 159.6 | 0 | 110.6 | E8 V48 W49 A136 T137 | E8-K15 IonicContact OE1-NZ 2.79Å; E8-K15 IonicContact OE2-NZ 3.2Å; E8-K15 PolarHBondContact OE2-NZ 3.2Å; K15-V48 HydrophobicContact CB-CG1 4.08Å; K15-V48 HydrophobicContact CG-CG1 4.44Å; K15-W49 WeakPolarHBondContact CA-O 3.19Å; K15-A136 HydrophobicContact CB-CB 4.01Å; K15-A136 WeakPolarHBondContact CB-O 3.48Å; K15-A136 WeakPolarHBondContact O-CA 3.42Å; K15-A136 PolarHBondContact O-N 2.87Å; K15-T137 HydrophobicContact CB-CG2 3.99Å |
| 16 | I | 92.8 | Very high | 76.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.3 | -179.2 | 62.4 | 162.2 | 0 | 0 | 0 | 113.1 | L14 I18 V48 W49 L51 W103 F105 F133 R134 L135 | L14-I16 HydrophobicContact CD1-CG2 4.48Å; L14-I16 HydrophobicContact CD2-CG2 4.09Å; L14-I16 HydrophobicContact CG-CG2 3.93Å; I16-I18 HydrophobicContact CD1-CD1 4.41Å; I16-I18 HydrophobicContact CD1-CG1 3.69Å; I16-I18 HydrophobicContact CG1-CG1 4.26Å; I16-V48 WeakPolarHBondContact O-CA 2.89Å; I16-W49 PolarHBondContact N-O 2.9Å; I16-W49 PolarHBondContact O-N 3.06Å; I16-L51 HydrophobicContact CD1-CD1 3.7Å; I16-L51 HydrophobicContact CD1-CG 4.27Å; I16-L51 HydrophobicContact CG1-CD1 3.87Å; I16-L51 HydrophobicContact CG1-CG 4.24Å; I16-L51 HydrophobicContact CG2-CD1 4.18Å; I16-W103 HydrophobicContact CD1-CZ3 4.26Å; I16-F105 HydrophobicContact CD1-CZ 4.24Å; I16-F133 HydrophobicContact CB-CD2 4.44Å; I16-F133 HydrophobicContact CD1-CB 4.26Å; I16-F133 HydrophobicContact CG2-CD2 4Å; I16-R134 CarbonylContact C-O 3.57Å; I16-R134 WeakPolarHBondContact CA-O 3.39Å; I16-R134 WeakPolarHBondContact CB-O 3.44Å; I16-L135 HydrophobicContact CG2-CD2 4.42Å |
| 17 | G | 93.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q47 F133 R134 | G17-Q47 WeakPolarHBondContact CA-O 3.33Å; G17-F133 CarbonylContact O-C 3.55Å; G17-F133 WeakPolarHBondContact O-CA 3.47Å; G17-F133 WeakPolarHBondContact O-CB 3.03Å; G17-R134 PolarHBondContact N-O 2.8Å; G17-R134 PolarHBondContact O-N 2.84Å |
| 18 | I | 96.1 | Very high | 82 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.2 | 178.5 | -60.7 | 167.3 | 0 | 0 | 0 | 108.7 | I16 F26 L27 W49 L63 F105 W131 | I16-I18 HydrophobicContact CD1-CD1 4.41Å; I16-I18 HydrophobicContact CD1-CG1 3.69Å; I16-I18 HydrophobicContact CG1-CG1 4.26Å; I18-F26 CarbonylContact O-C 3.48Å; I18-F26 VanDerWaalsContact O-CA 3.23Å; I18-F26 WeakPolarHBondContact O-CA 3.33Å; I18-L27 HydrophobicContact CB-CB 3.94Å; I18-L27 HydrophobicContact CB-CD2 4.4Å; I18-L27 HydrophobicContact CD1-CD2 3.91Å; I18-L27 HydrophobicContact CG2-CB 4.26Å; I18-L27 PolarHBondContact O-N 2.75Å; I18-W49 HydrophobicContact CD1-CB 4.34Å; I18-W49 HydrophobicContact CD1-CG 4.08Å; I18-L63 HydrophobicContact CD1-CD2 3.87Å; I18-F105 HydrophobicContact CD1-CE1 4.25Å; I18-F105 HydrophobicContact CD1-CE2 3.99Å; I18-F105 HydrophobicContact CD1-CZ 3.71Å; I18-F105 HydrophobicContact CG1-CE2 4.15Å; I18-F105 HydrophobicContact CG1-CZ 3.87Å; I18-F105 HydrophobicContact CG2-CE2 3.89Å; I18-F105 HydrophobicContact CG2-CZ 4.46Å; I18-W131 HydrophobicContact CG2-CB 4.03Å; I18-W131 HydrophobicContact CG2-CD2 3.88Å; I18-W131 HydrophobicContact CG2-CE3 3.6Å; I18-W131 HydrophobicContact CG2-CG 4.06Å; I18-W131 HydrophobicContact CG2-CZ3 4.33Å |
| 19 | L | 94 | Very high | 84.2 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.4 | -169.7 | -154.4 | 82.2 | 0 | 0 | 0 | 110.7 | I21 F26 S132 V202 L205 | L19-I21 PolarHBondContact O-N 3Å; L19-F26 HydrophobicContact CD1-CD1 3.52Å; L19-F26 HydrophobicContact CD1-CD2 3.78Å; L19-F26 HydrophobicContact CD1-CE1 3.28Å; L19-F26 HydrophobicContact CD1-CE2 3.54Å; L19-F26 HydrophobicContact CD1-CG 3.77Å; L19-F26 HydrophobicContact CD1-CZ 3.29Å; L19-S132 WeakPolarHBondContact CA-O 3.18Å; L19-S132 WeakPolarHBondContact CB-O 3.42Å; L19-S132 PolarHBondContact N-O 3.22Å; L19-S132 PolarHBondContact O-N 2.63Å; L19-V202 HydrophobicContact CD2-CG1 3.41Å; L19-V202 VanDerWaalsContact CD2-CG1 3.41Å; L19-V202 HydrophobicContact CG-CG1 4.14Å; L19-L205 HydrophobicContact CD2-CB 4.46Å; L19-L205 HydrophobicContact CD2-CD1 3.82Å |
| 20 | H | 95 | Very high | 86.3 | Confident | 21 Ų | 21 | 18.3 Ų | 18.3 | 10% | 0.097 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 109.9 | 175.8 | 179.8 | -114.6 | 0 | 0 | 0 | 110.1 | P22 S23 G24 R25 I38 G116 W131 | H20-P22 WeakPolarHBondContact NE2-CD 3.45Å; H20-S23 WeakPolarHBondContact ND1-CB 3.5Å; H20-S23 PolarHBondContact ND1-N 3.32Å; H20-S23 PolarHBondContact ND1-OG 2.8Å; H20-S23 PolarHBondContact O-N 3.14Å; H20-S23 VanDerWaalsContact O-N 3.15Å; H20-G24 WeakPolarHBondContact O-CA 3.21Å; H20-G24 PolarHBondContact O-N 3.02Å; H20-R25 WeakPolarHBondContact CB-O 3.4Å; H20-R25 PolarHBondContact N-O 2.95Å; H20-I38 HydrophobicContact CB-CD1 4.33Å; H20-I38 HydrophobicContact CB-CG2 3.34Å; H20-G116 PolarHBondContact CD2-O 2.63Å; H20-G116 PolarHBondContact NE2-O 3.42Å; H20-G116 VanDerWaalsContact NE2-O 3.1Å; H20-W131 HydrophobicContact CB-CE3 4.15Å; H20-W131 HydrophobicContact CB-CZ3 3.7Å; H20-W131 AromaticContact CD2-CZ3 3.91Å |
| 21 | I | 93.6 | Very high | 87.9 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.051 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -46.2 | -172 | -63.2 | 175.2 | 0 | 0 | 0 | 113.1 | L19 S23 E102 W130 K199 V202 | L19-I21 PolarHBondContact O-N 3Å; I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 3.23Å; I21-E102 HydrophobicContact CD1-CB 4.36Å; I21-E102 HydrophobicContact CD1-CG 3.69Å; I21-W130 HydrophobicContact CD1-CB 3.92Å; I21-W130 VanDerWaalsContact CD1-O 3.26Å; I21-W130 WeakPolarHBondContact CD1-O 3.06Å; I21-K199 HydrophobicContact CG2-CB 3.7Å; I21-K199 HydrophobicContact CG2-CG 4.04Å; I21-V202 HydrophobicContact CG2-CB 4.4Å |
| 22 | P | 91.5 | Very high | 89.4 | Confident | 59 Ų | 59 | 27.5 Ų | 27.5 | 38% | 0.383 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -29.3 | -179.5 | -23.3 | 32.6 | 0 | 0 | 0 | 115.3 | H20 P195 | H20-P22 WeakPolarHBondContact NE2-CD 3.45Å; P22-P195 WeakPolarHBondContact O-CD 3.34Å; P22-P195 WeakPolarHBondContact O-CG 3.47Å |
| 23 | S | 90.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -15.5 | -175.8 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | H20 I21 R25 P195 | H20-S23 WeakPolarHBondContact ND1-CB 3.5Å; H20-S23 PolarHBondContact ND1-N 3.32Å; H20-S23 PolarHBondContact ND1-OG 2.8Å; H20-S23 PolarHBondContact O-N 3.14Å; H20-S23 VanDerWaalsContact O-N 3.15Å; I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 3.23Å; S23-R25 PolarHBondContact O-N 3.05Å; S23-R25 WeakPolarHBondContact OG-CB 3.38Å; S23-R25 PolarHBondContact OG-N 3.39Å; S23-P195 VanDerWaalsContact C-CG 3.44Å; S23-P195 VanDerWaalsContact CA-CG 3.49Å; S23-P195 VanDerWaalsContact O-CG 3.25Å; S23-P195 WeakPolarHBondContact O-CG 3.4Å |
| 24 | G | 89 | Confident | 91.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H20 | H20-G24 WeakPolarHBondContact O-CA 3.21Å; H20-G24 PolarHBondContact O-N 3.02Å |
| 25 | R | 91.6 | Very high | 91.7 | Very high | 87 Ų | 87 | 38.5 Ų | 38.5 | 33% | 0.328 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 153.6 | 178 | -66.1 | -174.9 | -175.9 | 123.6 | 6.9 | 111.5 | H20 S23 I38 G40 | H20-R25 WeakPolarHBondContact CB-O 3.4Å; H20-R25 PolarHBondContact N-O 2.95Å; S23-R25 PolarHBondContact O-N 3.05Å; S23-R25 WeakPolarHBondContact OG-CB 3.38Å; S23-R25 PolarHBondContact OG-N 3.39Å; R25-I38 HydrophobicContact CB-CG2 3.98Å; R25-I38 WeakPolarHBondContact CD-O 3.45Å; R25-G40 CarbonylContact C-O 3.57Å; R25-G40 WeakPolarHBondContact CA-O 3.45Å; R25-G40 WeakPolarHBondContact CB-O 3.04Å |
| 26 | F | 92.7 | Very high | 92 | Very high | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.4 | -179 | -68.9 | -84.2 | 0 | 0 | 0 | 112.7 | I18 L19 T28 G40 A42 L43 Q47 R134 | I18-F26 CarbonylContact O-C 3.48Å; I18-F26 VanDerWaalsContact O-CA 3.23Å; I18-F26 WeakPolarHBondContact O-CA 3.33Å; L19-F26 HydrophobicContact CD1-CD1 3.52Å; L19-F26 HydrophobicContact CD1-CD2 3.78Å; L19-F26 HydrophobicContact CD1-CE1 3.28Å; L19-F26 HydrophobicContact CD1-CE2 3.54Å; L19-F26 HydrophobicContact CD1-CG 3.77Å; L19-F26 HydrophobicContact CD1-CZ 3.29Å; F26-T28 PolarHBondContact O-N 3.4Å; F26-T28 PolarHBondContact O-OG1 3.05Å; F26-G40 WeakPolarHBondContact CD2-O 3.11Å; F26-G40 PolarHBondContact N-O 3.22Å; F26-G40 PolarHBondContact O-N 2.97Å; F26-A42 VanDerWaalsContact CE2-C 3.48Å; F26-L43 HydrophobicContact CD1-CB 4.46Å; F26-L43 HydrophobicContact CD1-CD1 4.09Å; F26-L43 HydrophobicContact CE1-CB 3.86Å; F26-L43 HydrophobicContact CE1-CD1 4.03Å; F26-L43 HydrophobicContact CE1-CD2 4.47Å; F26-L43 HydrophobicContact CE1-CG 4.36Å; F26-L43 HydrophobicContact CE2-CB 4.07Å; F26-L43 VanDerWaalsContact CE2-N 3.3Å; F26-L43 HydrophobicContact CZ-CB 3.65Å; F26-Q47 HydrophobicContact CB-CB 3.81Å; F26-Q47 HydrophobicContact CB-CG 3.39Å; F26-Q47 HydrophobicContact CD1-CB 4.46Å; F26-Q47 HydrophobicContact CD2-CG 4.42Å; F26-Q47 HydrophobicContact CG-CB 4.13Å; F26-Q47 HydrophobicContact CG-CG 4Å; F26-R134 HydrophobicContact CE1-CB 4Å; F26-R134 HydrophobicContact CE1-CG 3.7Å; F26-R134 HydrophobicContact CZ-CB 4.34Å; F26-R134 HydrophobicContact CZ-CG 3.74Å |
| 27 | L | 96.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 121.6 | 161.3 | -168.3 | 71.4 | 0 | 0 | 0 | 109 | I18 I36 N37 I38 W49 L114 V121 | I18-L27 HydrophobicContact CB-CB 3.94Å; I18-L27 HydrophobicContact CB-CD2 4.4Å; I18-L27 HydrophobicContact CD1-CD2 3.91Å; I18-L27 HydrophobicContact CG2-CB 4.26Å; I18-L27 PolarHBondContact O-N 2.75Å; L27-I36 HydrophobicContact CD1-CG2 3.47Å; L27-I36 VanDerWaalsContact CD1-CG2 3.47Å; L27-I36 HydrophobicContact CG-CG2 3.94Å; L27-N37 CarbonylContact C-O 3.49Å; L27-N37 WeakPolarHBondContact CA-O 3.46Å; L27-I38 HydrophobicContact CD1-CG1 4.16Å; L27-W49 HydrophobicContact CD2-CH2 4.45Å; L27-W49 HydrophobicContact CD2-CZ2 3.76Å; L27-W49 HydrophobicContact CG-CZ2 3.88Å; L27-W49 PolarHBondContact O-NE1 3.48Å; L27-L114 HydrophobicContact CD2-CD2 4.24Å; L27-V121 HydrophobicContact CD1-CG1 3.94Å; L27-V121 HydrophobicContact CD1-CG2 4.4Å |
| 28 | T | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.2 | -169.8 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | F26 I36 N37 G40 R46 Q47 | F26-T28 PolarHBondContact O-N 3.4Å; F26-T28 PolarHBondContact O-OG1 3.05Å; T28-I36 WeakPolarHBondContact O-CA 3.37Å; T28-N37 WeakPolarHBondContact CB-OD1 3.4Å; T28-N37 PolarHBondContact N-O 3.16Å; T28-N37 PolarHBondContact O-N 2.89Å; T28-G40 PolarHBondContact OG1-N 3.25Å; T28-R46 HydrophobicContact CG2-CB 4.03Å; T28-Q47 WeakPolarHBondContact OG1-CG 3.32Å; T28-Q47 PolarHBondContact OG1-NE2 3.31Å |
| 29 | A | 94 | Very high | 92 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R46 W49 N65 | A29-R46 PolarHBondContact N-O 3.08Å; A29-W49 HydrophobicContact CB-CH2 4.17Å; A29-W49 HydrophobicContact CB-CZ2 4.04Å; A29-N65 HydrophobicContact CB-CB 3.6Å; A29-N65 WeakPolarHBondContact CB-ND2 3.4Å |
| 30 | E | 92.6 | Very high | 91.7 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 17% | 0.168 | 21% | 0.205 | C | C | . | . | trans | -76.6 | 144.6 | 177.1 | -65.8 | -60.8 | 164.9 | 0 | 0 | 111.6 | N34 E35 N37 R46 | E30-N34 WeakPolarHBondContact O-CA 3.37Å; E30-E35 HydrophobicContact CB-CB 4.47Å; E30-E35 PolarHBondContact N-O 3.03Å; E30-N37 WeakPolarHBondContact CG-ND2 3.49Å; E30-N37 PolarHBondContact OE1-ND2 2.89Å; E30-R46 IonicContact OE1-NH1 3.38Å; E30-R46 IonicContact OE2-CZ 2.9Å; E30-R46 IonicContact OE2-NH1 3.58Å; E30-R46 PolarHBondContact OE2-NH1 2.73Å | ||
| 31 | V | 86.2 | Confident | 91.2 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 30% | 0.303 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -71.5 | -38.2 | 177.3 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | R46 L67 L343 | V31-R46 HydrophobicContact CG2-CG 4.38Å; V31-L67 HydrophobicContact CG2-CD2 4.44Å; V31-L343 HydrophobicContact CG1-CD1 4.13Å; V31-L343 WeakPolarHBondContact O-CD1 3.33Å |
| 32 | F | 84.7 | Confident | 90.6 | Very high | 157 Ų | 157 | 44.8 Ų | 44.8 | 69% | 0.689 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -88 | 137.5 | 177 | -58 | -71.4 | 0 | 0 | 0 | 109.7 | N34 | F32-N34 PolarHBondContact O-N 3.37Š|
| 33 | N | 86.8 | Confident | 90.3 | Very high | 132 Ų | 132 | 42.2 Ų | 42.2 | 71% | 0.706 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -3.9 | -177.6 | -59 | -12.1 | 0 | 0 | 0 | 116.6 | E35 | N33-E35 HydrophobicContact CB-CG 3.9Å; N33-E35 PolarHBondContact ND2-OE1 3.14Å; N33-E35 PolarHBondContact O-N 2.78Å |
| 34 | N | 87.1 | Confident | 89.8 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32 | -173 | -46.1 | -69.3 | 0 | 0 | 0 | 113.5 | E30 F32 R69 T81 | E30-N34 WeakPolarHBondContact O-CA 3.37Å; F32-N34 PolarHBondContact O-N 3.37Å; N34-R69 WeakPolarHBondContact OD1-CD 3.32Å; N34-T81 WeakPolarHBondContact CB-OG1 3.37Å |
| 35 | E | 92.9 | Very high | 89.4 | Confident | 110 Ų | 110 | 50.9 Ų | 50.9 | 51% | 0.514 | 25% | 0.254 | S | S | . | . | trans | -71.2 | 153.1 | 177.1 | -75.5 | 175.3 | -156.2 | 0 | 0 | 111.2 | E30 N33 | E30-E35 HydrophobicContact CB-CB 4.47Å; E30-E35 PolarHBondContact N-O 3.03Å; N33-E35 HydrophobicContact CB-CG 3.9Å; N33-E35 PolarHBondContact ND2-OE1 3.14Å; N33-E35 PolarHBondContact O-N 2.78Å | ||
| 36 | I | 96.2 | Very high | 89.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.3 | 177.2 | -62.8 | 174.6 | 0 | 0 | 0 | 108.4 | L27 T28 W49 L71 I79 T81 V121 | L27-I36 HydrophobicContact CD1-CG2 3.47Å; L27-I36 VanDerWaalsContact CD1-CG2 3.47Å; L27-I36 HydrophobicContact CG-CG2 3.94Å; T28-I36 WeakPolarHBondContact O-CA 3.37Å; I36-W49 HydrophobicContact CD1-CH2 3.78Å; I36-W49 HydrophobicContact CG1-CH2 4.25Å; I36-W49 HydrophobicContact CG2-CZ2 4.46Å; I36-L71 HydrophobicContact CD1-CD1 3.17Å; I36-I79 HydrophobicContact CD1-CG2 3.71Å; I36-T81 HydrophobicContact CD1-CG2 3.66Å; I36-T81 HydrophobicContact CG1-CG2 4.11Å; I36-V121 HydrophobicContact CG2-CB 4.41Å; I36-V121 HydrophobicContact CG2-CG1 4.28Å; I36-V121 HydrophobicContact CG2-CG2 4.32Å; I36-V121 WeakPolarHBondContact O-CG2 3.22Å |
| 37 | N | 96.3 | Very high | 89.1 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 176.7 | -179.1 | 67 | 55 | 0 | 0 | 0 | 111.2 | L27 T28 E30 S39 D118 | L27-N37 CarbonylContact C-O 3.49Å; L27-N37 WeakPolarHBondContact CA-O 3.46Å; T28-N37 WeakPolarHBondContact CB-OD1 3.4Å; T28-N37 PolarHBondContact N-O 3.16Å; T28-N37 PolarHBondContact O-N 2.89Å; E30-N37 WeakPolarHBondContact CG-ND2 3.49Å; E30-N37 PolarHBondContact OE1-ND2 2.89Å; N37-S39 WeakPolarHBondContact OD1-CB 3.07Å; N37-S39 PolarHBondContact OD1-N 3.14Å; N37-S39 PolarHBondContact OD1-OG 2.75Å; N37-D118 CarbonylContact C-O 3.47Å; N37-D118 WeakPolarHBondContact CA-O 3.46Å; N37-D118 WeakPolarHBondContact CB-O 3.18Å |
| 38 | I | 95.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 62.2 | 179.8 | -51.5 | 175.9 | 0 | 0 | 0 | 108.7 | H20 R25 L27 G116 D118 V121 W131 | H20-I38 HydrophobicContact CB-CD1 4.33Å; H20-I38 HydrophobicContact CB-CG2 3.34Å; R25-I38 HydrophobicContact CB-CG2 3.98Å; R25-I38 WeakPolarHBondContact CD-O 3.45Å; L27-I38 HydrophobicContact CD1-CG1 4.16Å; I38-G116 VanDerWaalsContact CD1-C 3.48Å; I38-G116 WeakPolarHBondContact CD1-O 3.42Å; I38-D118 PolarHBondContact N-O 3.05Å; I38-V121 HydrophobicContact CD1-CG2 4.26Å; I38-V121 HydrophobicContact CG1-CG2 3.91Å; I38-W131 HydrophobicContact CD1-CH2 3.66Å; I38-W131 HydrophobicContact CD1-CZ3 3.97Å |
| 39 | S | 90.8 | Very high | 88.6 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -23.4 | -176 | 70 | 0 | 0 | 0 | 0 | 114.1 | N37 T41 | N37-S39 WeakPolarHBondContact OD1-CB 3.07Å; N37-S39 PolarHBondContact OD1-N 3.14Å; N37-S39 PolarHBondContact OD1-OG 2.75Å; S39-T41 PolarHBondContact O-N 2.99Å |
| 40 | G | 86.8 | Confident | 88.5 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 124.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R25 F26 T28 | R25-G40 CarbonylContact C-O 3.57Å; R25-G40 WeakPolarHBondContact CA-O 3.45Å; R25-G40 WeakPolarHBondContact CB-O 3.04Å; F26-G40 WeakPolarHBondContact CD2-O 3.11Å; F26-G40 PolarHBondContact N-O 3.22Å; F26-G40 PolarHBondContact O-N 2.97Å; T28-G40 PolarHBondContact OG1-N 3.25Å |
| 41 | T | 84.6 | Confident | 88.6 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -96.8 | -7 | 177.3 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | S39 | S39-T41 PolarHBondContact O-N 2.99Š|
| 42 | A | 82 | Confident | 88.8 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -144 | 147.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | F26 R44 Q47 | F26-A42 VanDerWaalsContact CE2-C 3.48Å; A42-R44 HydrophobicContact CB-CG 4.48Å; A42-R44 PolarHBondContact O-N 2.79Å; A42-Q47 WeakPolarHBondContact O-CG 3.4Å; A42-Q47 PolarHBondContact O-OE1 2.77Å |
| 43 | L | 84.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -75.5 | 111.3 | 171.4 | -175.6 | 60.5 | 0 | 0 | 0 | 107.7 | F26 Q47 V48 R134 A136 V502 | F26-L43 HydrophobicContact CD1-CB 4.46Å; F26-L43 HydrophobicContact CD1-CD1 4.09Å; F26-L43 HydrophobicContact CE1-CB 3.86Å; F26-L43 HydrophobicContact CE1-CD1 4.03Å; F26-L43 HydrophobicContact CE1-CD2 4.47Å; F26-L43 HydrophobicContact CE1-CG 4.36Å; F26-L43 HydrophobicContact CE2-CB 4.07Å; F26-L43 VanDerWaalsContact CE2-N 3.3Å; F26-L43 HydrophobicContact CZ-CB 3.65Å; L43-Q47 HydrophobicContact CD1-CB 3.57Å; L43-Q47 WeakPolarHBondContact CD1-O 3.49Å; L43-V48 HydrophobicContact CD1-CG2 4.01Å; L43-V48 HydrophobicContact CG-CG2 4.39Å; L43-R134 HydrophobicContact CD2-CB 3.73Å; L43-A136 HydrophobicContact CD2-CB 4.05Å; L43-V502 HydrophobicContact CB-CB 4.34Å; L43-V502 HydrophobicContact CB-CG1 3.99Å; L43-V502 HydrophobicContact CB-CG2 3.58Å; L43-V502 HydrophobicContact CD2-CB 4.19Å; L43-V502 HydrophobicContact CD2-CG1 3.88Å; L43-V502 HydrophobicContact CD2-CG2 3.98Å; L43-V502 HydrophobicContact CG-CB 4.38Å; L43-V502 HydrophobicContact CG-CG1 3.72Å; L43-V502 HydrophobicContact CG-CG2 4.11Å; L43-V502 VanDerWaalsContact O-CG1 3.31Å; L43-V502 WeakPolarHBondContact O-CG1 3.28Å | ||
| 44 | R | 81.2 | Confident | 89.3 | Confident | 122 Ų | 122 | 38.7 Ų | 38.7 | 46% | 0.46 | 20% | 0.196 | S | C | . | . | trans | -130.4 | -179.3 | 170.3 | -58.5 | -179.3 | 178.8 | -92.7 | 1.5 | 107.3 | A42 R46 Q47 V48 N500 | A42-R44 HydrophobicContact CB-CG 4.48Å; A42-R44 PolarHBondContact O-N 2.79Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 2.93Å; R44-Q47 WeakPolarHBondContact O-CA 3.2Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 2.93Å; R44-Q47 PolarHBondContact O-OE1 3.18Å; R44-V48 PolarHBondContact O-N 3.08Å; R44-N500 PolarHBondContact NH1-O 2.73Å | ||
| 45 | R | 79.3 | Confident | 89.1 | Confident | 80 Ų | 80 | 43 Ų | 43 | 30% | 0.302 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -40.1 | -50.3 | -179.3 | -174 | 171.3 | 174.4 | 158.1 | 0.9 | 114.7 | Q47 V48 S66 L484 | R45-Q47 PolarHBondContact O-N 2.88Å; R45-V48 PolarHBondContact O-N 3.35Å; R45-V48 VanDerWaalsContact O-N 3.15Å; R45-S66 WeakPolarHBondContact O-CB 3.36Å; R45-S66 PolarHBondContact O-OG 2.98Å; R45-L484 PolarHBondContact NH1-O 2.8Å |
| 46 | R | 87.2 | Confident | 88.7 | Confident | 109 Ų | 109 | 46.5 Ų | 46.5 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -67.4 | -16.7 | -178.3 | -68.3 | -170.2 | -66.8 | -178.8 | -4.6 | 115.3 | T28 A29 E30 V31 R44 | T28-R46 HydrophobicContact CG2-CB 4.03Å; A29-R46 PolarHBondContact N-O 3.08Å; E30-R46 IonicContact OE1-NH1 3.38Å; E30-R46 IonicContact OE2-CZ 2.9Å; E30-R46 IonicContact OE2-NH1 3.58Å; E30-R46 PolarHBondContact OE2-NH1 2.73Å; V31-R46 HydrophobicContact CG2-CG 4.38Å; R44-R46 VanDerWaalsContact C-N 3.29Å; R44-R46 PolarHBondContact O-N 2.93Å |
| 47 | Q | 91 | Very high | 88.4 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -98.5 | -6.3 | 179.1 | -69.5 | 70.3 | 41.5 | 0 | 0 | 112 | G17 F26 T28 A42 L43 R44 R45 W49 | G17-Q47 WeakPolarHBondContact CA-O 3.33Å; F26-Q47 HydrophobicContact CB-CB 3.81Å; F26-Q47 HydrophobicContact CB-CG 3.39Å; F26-Q47 HydrophobicContact CD1-CB 4.46Å; F26-Q47 HydrophobicContact CD2-CG 4.42Å; F26-Q47 HydrophobicContact CG-CB 4.13Å; F26-Q47 HydrophobicContact CG-CG 4Å; T28-Q47 WeakPolarHBondContact OG1-CG 3.32Å; T28-Q47 PolarHBondContact OG1-NE2 3.31Å; A42-Q47 WeakPolarHBondContact O-CG 3.4Å; A42-Q47 PolarHBondContact O-OE1 2.77Å; L43-Q47 HydrophobicContact CD1-CB 3.57Å; L43-Q47 WeakPolarHBondContact CD1-O 3.49Å; R44-Q47 WeakPolarHBondContact O-CA 3.2Å; R44-Q47 WeakPolarHBondContact O-CB 3.44Å; R44-Q47 PolarHBondContact O-N 2.93Å; R44-Q47 PolarHBondContact O-OE1 3.18Å; R45-Q47 PolarHBondContact O-N 2.88Å; Q47-W49 VanDerWaalsContact O-CD1 3.26Å |
| 48 | V | 89.2 | Confident | 87.9 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.4 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | K15 I16 L43 R44 R45 A136 | K15-V48 HydrophobicContact CB-CG1 4.08Å; K15-V48 HydrophobicContact CG-CG1 4.44Å; I16-V48 WeakPolarHBondContact O-CA 2.89Å; L43-V48 HydrophobicContact CD1-CG2 4.01Å; L43-V48 HydrophobicContact CG-CG2 4.39Å; R44-V48 PolarHBondContact O-N 3.08Å; R45-V48 PolarHBondContact O-N 3.35Å; R45-V48 VanDerWaalsContact O-N 3.15Å; V48-A136 HydrophobicContact CG1-CB 3.98Å; V48-A136 HydrophobicContact CG2-CB 3.88Å |
| 49 | W | 92.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.8 | 174.4 | -63.9 | 85.5 | 0 | 0 | 0 | 109.1 | K15 I16 I18 L27 A29 I36 Q47 L63 Q64 N65 L71 | K15-W49 WeakPolarHBondContact CA-O 3.19Å; I16-W49 PolarHBondContact N-O 2.9Å; I16-W49 PolarHBondContact O-N 3.06Å; I18-W49 HydrophobicContact CD1-CB 4.34Å; I18-W49 HydrophobicContact CD1-CG 4.08Å; L27-W49 HydrophobicContact CD2-CH2 4.45Å; L27-W49 HydrophobicContact CD2-CZ2 3.76Å; L27-W49 HydrophobicContact CG-CZ2 3.88Å; L27-W49 PolarHBondContact O-NE1 3.48Å; A29-W49 HydrophobicContact CB-CH2 4.17Å; A29-W49 HydrophobicContact CB-CZ2 4.04Å; I36-W49 HydrophobicContact CD1-CH2 3.78Å; I36-W49 HydrophobicContact CG1-CH2 4.25Å; I36-W49 HydrophobicContact CG2-CZ2 4.46Å; Q47-W49 VanDerWaalsContact O-CD1 3.26Å; W49-L63 HydrophobicContact CB-CD2 4.33Å; W49-L63 HydrophobicContact CE3-CB 4.19Å; W49-Q64 CarbonylContact C-O 3.59Å; W49-Q64 VanDerWaalsContact CA-O 3.32Å; W49-Q64 WeakPolarHBondContact CA-O 3.36Å; W49-N65 HydrophobicContact CE3-CB 4.03Å; W49-N65 HydrophobicContact CH2-CB 4Å; W49-N65 HydrophobicContact CZ3-CB 3.74Å; W49-L71 HydrophobicContact CH2-CD1 4.32Å; W49-L71 HydrophobicContact CZ3-CB 4.17Å; W49-L71 HydrophobicContact CZ3-CD1 4.44Å |
| 50 | S | 91.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 123 | 171.1 | -59 | 0 | 0 | 0 | 0 | 109.3 | Q64 | S50-Q64 PolarHBondContact N-O 2.62Å; S50-Q64 PolarHBondContact O-N 3.28Å |
| 51 | L | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.8 | 170.3 | -64.6 | 160.2 | 0 | 0 | 0 | 108.1 | C13 L14 I16 L61 F62 L63 W103 F105 | C13-L51 WeakPolarHBondContact CA-O 3.46Å; L14-L51 HydrophobicContact CB-CB 4.25Å; L14-L51 HydrophobicContact CB-CD1 4.19Å; L14-L51 HydrophobicContact CD2-CD1 3.73Å; L14-L51 HydrophobicContact CG-CD1 4.06Å; L14-L51 PolarHBondContact N-O 3.41Å; L14-L51 VanDerWaalsContact N-O 3.12Å; L14-L51 WeakPolarHBondContact O-CB 3.33Å; L14-L51 PolarHBondContact O-N 3.2Å; I16-L51 HydrophobicContact CD1-CD1 3.7Å; I16-L51 HydrophobicContact CD1-CG 4.27Å; I16-L51 HydrophobicContact CG1-CD1 3.87Å; I16-L51 HydrophobicContact CG1-CG 4.24Å; I16-L51 HydrophobicContact CG2-CD1 4.18Å; L51-L61 HydrophobicContact CB-CD2 4.4Å; L51-L61 HydrophobicContact CD2-CD1 3.64Å; L51-L61 HydrophobicContact CD2-CD2 3.78Å; L51-L61 HydrophobicContact CD2-CG 4.38Å; L51-F62 WeakPolarHBondContact CA-O 3.27Å; L51-L63 HydrophobicContact CD2-CD2 3.39Å; L51-L63 HydrophobicContact CD2-CG 4.19Å; L51-L63 HydrophobicContact CG-CD2 4.35Å; L51-W103 HydrophobicContact CD1-CH2 4.18Å; L51-W103 HydrophobicContact CD1-CZ3 3.68Å; L51-F105 HydrophobicContact CD2-CE1 4.12Å |
| 52 | I | 91.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 23% | 0.231 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.2 | -176.3 | -61.5 | 167 | 0 | 0 | 0 | 108 | D54 L61 F62 Q64 F70 | I52-D54 PolarHBondContact O-N 3.16Å; I52-L61 CarbonylContact O-C 3.44Å; I52-L61 VanDerWaalsContact O-CA 3.24Å; I52-L61 WeakPolarHBondContact O-CA 3.32Å; I52-L61 WeakPolarHBondContact O-CB 3.28Å; I52-F62 PolarHBondContact N-O 2.82Å; I52-F62 PolarHBondContact O-N 3.11Å; I52-Q64 HydrophobicContact CD1-CB 3.95Å; I52-F70 HydrophobicContact CD1-CE1 4.07Å |
| 53 | T | 90.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 133.5 | 177.7 | -69.9 | 0 | 0 | 0 | 0 | 110.6 | R55 Y238 P240 | T53-R55 PolarHBondContact O-N 3.3Å; T53-Y238 PolarHBondContact OG1-OH 2.98Å; T53-P240 HydrophobicContact CG2-CB 4.14Å |
| 54 | D | 90.1 | Very high | 89.8 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | trans | -73 | 107.9 | 171.6 | -175.1 | -2.5 | 0 | 0 | 0 | 109.4 | I52 K56 N57 A58 T60 F62 R90 | I52-D54 PolarHBondContact O-N 3.16Å; D54-K56 PolarHBondContact O-N 2.93Å; D54-K56 VanDerWaalsContact O-N 3.08Å; D54-K56 WeakPolarHBondContact OD1-CB 3.39Å; D54-K56 PolarHBondContact OD1-N 2.81Å; D54-N57 HydrophobicContact CB-CB 4.31Å; D54-N57 CarbonylContact O-C 3.44Å; D54-N57 PolarHBondContact O-N 2.82Å; D54-N57 PolarHBondContact OD2-ND2 2.72Å; D54-A58 PolarHBondContact O-N 3.06Å; D54-T60 WeakPolarHBondContact CB-OG1 3.49Å; D54-T60 PolarHBondContact N-O 2.81Å; D54-F62 HydrophobicContact CB-CD2 4.31Å; D54-F62 HydrophobicContact CB-CE2 3.54Å; D54-F62 HydrophobicContact CB-CZ 3.96Å; D54-R90 WeakPolarHBondContact OD2-CD 3.46Å; D54-R90 IonicContact OD2-CZ 3.68Å; D54-R90 IonicContact OD2-NE 2.99Å; D54-R90 PolarHBondContact OD2-NE 3.39Å | ||
| 55 | R | 82.7 | Confident | 90.3 | Very high | 140 Ų | 140 | 41.9 Ų | 41.9 | 53% | 0.528 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.3 | 177.8 | -65.9 | -173.9 | 179.1 | -178.7 | 1.6 | 113.1 | E5 E12 T53 | E5-R55 PolarHBondContact O-NH1 2.89Å; E5-R55 PolarHBondContact O-NH2 2.84Å; E12-R55 IonicContact OE1-NH2 3.89Å; E12-R55 PolarHBondContact OE1-NH2 2.96Å; E12-R55 IonicContact OE2-CZ 3.96Å; E12-R55 IonicContact OE2-NH2 3.46Å; E12-R55 PolarHBondContact OE2-NH2 3.14Å; T53-R55 PolarHBondContact O-N 3.3Å |
| 56 | K | 86.2 | Confident | 90.4 | Very high | 182 Ų | 182 | 39.5 Ų | 39.5 | 79% | 0.791 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -26.4 | 176.9 | -61.7 | 177.8 | -178.3 | 173.9 | 0 | 112.6 | D54 | D54-K56 PolarHBondContact O-N 2.93Å; D54-K56 VanDerWaalsContact O-N 3.08Å; D54-K56 WeakPolarHBondContact OD1-CB 3.39Å; D54-K56 PolarHBondContact OD1-N 2.81Å |
| 57 | N | 89 | Confident | 90.3 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -136 | 83.9 | -177.6 | -61.8 | -66.3 | 0 | 0 | 0 | 108.6 | D54 D59 T60 R90 | D54-N57 HydrophobicContact CB-CB 4.31Å; D54-N57 CarbonylContact O-C 3.44Å; D54-N57 PolarHBondContact O-N 2.82Å; D54-N57 PolarHBondContact OD2-ND2 2.72Å; N57-D59 PolarHBondContact O-N 3.49Å; N57-T60 HydrophobicContact CB-CG2 4.23Å; N57-T60 VanDerWaalsContact CB-OG1 3.26Å; N57-T60 WeakPolarHBondContact CB-OG1 3.42Å; N57-T60 PolarHBondContact O-N 2.53Å; N57-T60 PolarHBondContact O-OG1 3.28Å; N57-R90 PolarHBondContact ND2-NE 3.42Å |
| 58 | A | 85.7 | Confident | 90 | Very high | 52 Ų | 52 | 36.8 Ų | 36.8 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D54 P240 G241 | D54-A58 PolarHBondContact O-N 3.06Å; A58-P240 CarbonylContact O-C 3.4Å; A58-P240 VanDerWaalsContact O-CB 3.29Å; A58-P240 WeakPolarHBondContact O-CB 3.08Å; A58-G241 PolarHBondContact O-N 3.45Å; A58-G241 VanDerWaalsContact O-N 3.16Å |
| 59 | D | 90.2 | Very high | 90.1 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.7 | 177.1 | 62.4 | -25.5 | 0 | 0 | 0 | 113.9 | N57 R92 | N57-D59 PolarHBondContact O-N 3.49Å; D59-R92 IonicContact OD1-NH2 2.86Å; D59-R92 IonicContact OD2-CZ 2.7Å; D59-R92 VanDerWaalsContact OD2-CZ 3.22Å; D59-R92 IonicContact OD2-NH1 3.09Å; D59-R92 PolarHBondContact OD2-NH1 3.46Å; D59-R92 IonicContact OD2-NH2 2.88Å; D59-R92 PolarHBondContact OD2-NH2 2.79Å; D59-R92 VanDerWaalsContact OD2-NH2 3.09Å |
| 60 | T | 94.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -120.5 | 162 | -179.7 | 69.2 | 0 | 0 | 0 | 0 | 111.5 | D54 N57 F91 R92 D108 | D54-T60 WeakPolarHBondContact CB-OG1 3.49Å; D54-T60 PolarHBondContact N-O 2.81Å; N57-T60 HydrophobicContact CB-CG2 4.23Å; N57-T60 VanDerWaalsContact CB-OG1 3.26Å; N57-T60 WeakPolarHBondContact CB-OG1 3.42Å; N57-T60 PolarHBondContact O-N 2.53Å; N57-T60 PolarHBondContact O-OG1 3.28Å; T60-F91 WeakPolarHBondContact CA-O 3.47Å; T60-R92 HydrophobicContact CG2-CG 4.11Å; T60-D108 HydrophobicContact CG2-CB 4.33Å | ||
| 61 | L | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 167.1 | 178.2 | 63.7 | 78.1 | 0 | 0 | 0 | 111.8 | L51 I52 L63 F91 L93 Y238 P240 | L51-L61 HydrophobicContact CB-CD2 4.4Å; L51-L61 HydrophobicContact CD2-CD1 3.64Å; L51-L61 HydrophobicContact CD2-CD2 3.78Å; L51-L61 HydrophobicContact CD2-CG 4.38Å; I52-L61 CarbonylContact O-C 3.44Å; I52-L61 VanDerWaalsContact O-CA 3.24Å; I52-L61 WeakPolarHBondContact O-CA 3.32Å; I52-L61 WeakPolarHBondContact O-CB 3.28Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L61-F91 HydrophobicContact CD1-CB 4.13Å; L61-F91 PolarHBondContact N-O 3.26Å; L61-F91 PolarHBondContact O-N 2.67Å; L61-L93 HydrophobicContact CD2-CD1 3.47Å; L61-L93 VanDerWaalsContact CD2-CD1 3.47Å; L61-L93 HydrophobicContact CD2-CD2 4.34Å; L61-L93 HydrophobicContact CD2-CG 3.59Å; L61-Y238 HydrophobicContact CD2-CD1 4.32Å; L61-Y238 HydrophobicContact CD2-CE1 4.35Å; L61-P240 HydrophobicContact CD2-CG 3.99Å |
| 62 | F | 95.2 | Very high | 90.7 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.2 | 168.7 | -54.5 | -76.7 | 0 | 0 | 0 | 110.3 | L51 I52 D54 F70 E89 R90 | L51-F62 WeakPolarHBondContact CA-O 3.27Å; I52-F62 PolarHBondContact N-O 2.82Å; I52-F62 PolarHBondContact O-N 3.11Å; D54-F62 HydrophobicContact CB-CD2 4.31Å; D54-F62 HydrophobicContact CB-CE2 3.54Å; D54-F62 HydrophobicContact CB-CZ 3.96Å; F62-F70 HydrophobicContact CB-CD1 3.61Å; F62-F70 HydrophobicContact CB-CE1 3.87Å; F62-F70 HydrophobicContact CG-CD1 4.28Å; F62-F70 HydrophobicContact CG-CE1 4.38Å; F62-E89 HydrophobicContact CD1-CB 3.82Å; F62-E89 WeakPolarHBondContact CD1-O 3.32Å; F62-E89 HydrophobicContact CE1-CB 4.18Å; F62-R90 HydrophobicContact CD1-CG 4.28Å; F62-R90 HydrophobicContact CE1-CB 4.49Å; F62-R90 HydrophobicContact CE1-CG 3.48Å; F62-R90 VanDerWaalsContact CE1-CG 3.48Å; F62-R90 HydrophobicContact CZ-CG 3.88Å |
| 63 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 104.9 | 172.1 | -78.5 | 161.4 | 0 | 0 | 0 | 109 | I18 W49 L51 L61 F70 L71 F91 F105 | I18-L63 HydrophobicContact CD1-CD2 3.87Å; W49-L63 HydrophobicContact CB-CD2 4.33Å; W49-L63 HydrophobicContact CE3-CB 4.19Å; L51-L63 HydrophobicContact CD2-CD2 3.39Å; L51-L63 HydrophobicContact CD2-CG 4.19Å; L51-L63 HydrophobicContact CG-CD2 4.35Å; L61-L63 HydrophobicContact CD1-CG 4.12Å; L63-F70 CarbonylContact O-C 3.57Å; L63-F70 VanDerWaalsContact O-CA 3.31Å; L63-F70 WeakPolarHBondContact O-CA 3.43Å; L63-L71 HydrophobicContact CB-CB 3.82Å; L63-L71 HydrophobicContact CB-CD2 4.33Å; L63-L71 HydrophobicContact CD1-CD2 3.6Å; L63-L71 PolarHBondContact O-N 2.96Å; L63-F91 HydrophobicContact CD1-CD1 4.44Å; L63-F91 HydrophobicContact CD1-CD2 4.03Å; L63-F91 HydrophobicContact CD1-CE2 4.24Å; L63-F91 HydrophobicContact CD1-CG 4.15Å; L63-F105 HydrophobicContact CD1-CD1 3.74Å; L63-F105 HydrophobicContact CD1-CE1 4.2Å; L63-F105 HydrophobicContact CD1-CG 4.28Å; L63-F105 HydrophobicContact CD2-CD1 4.34Å; L63-F105 HydrophobicContact CD2-CE1 3.97Å; L63-F105 HydrophobicContact CG-CD1 4.44Å |
| 64 | Q | 93.6 | Very high | 91.2 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.9 | 179.5 | -165.9 | -174.8 | 47 | 0 | 0 | 111 | W49 S50 I52 G68 R69 F70 | W49-Q64 CarbonylContact C-O 3.59Å; W49-Q64 VanDerWaalsContact CA-O 3.32Å; W49-Q64 WeakPolarHBondContact CA-O 3.36Å; S50-Q64 PolarHBondContact N-O 2.62Å; S50-Q64 PolarHBondContact O-N 3.28Å; I52-Q64 HydrophobicContact CD1-CB 3.95Å; Q64-G68 VanDerWaalsContact CG-C 3.48Å; Q64-G68 PolarHBondContact NE2-O 2.79Å; Q64-R69 CarbonylContact C-O 3.57Å; Q64-R69 WeakPolarHBondContact CA-O 3.34Å; Q64-F70 HydrophobicContact CB-CD1 3.8Å; Q64-F70 HydrophobicContact CB-CE1 3.85Å; Q64-F70 HydrophobicContact CG-CD1 4.04Å; Q64-F70 HydrophobicContact CG-CE1 3.97Å; Q64-F70 HydrophobicContact CG-CZ 4.43Å |
| 65 | N | 91.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 174.2 | 175.6 | 71 | 20 | 0 | 0 | 0 | 112.3 | A29 W49 L67 G68 R69 | A29-N65 HydrophobicContact CB-CB 3.6Å; A29-N65 WeakPolarHBondContact CB-ND2 3.4Å; W49-N65 HydrophobicContact CE3-CB 4.03Å; W49-N65 HydrophobicContact CH2-CB 4Å; W49-N65 HydrophobicContact CZ3-CB 3.74Å; N65-L67 PolarHBondContact O-N 3.02Å; N65-L67 WeakPolarHBondContact OD1-CA 3.2Å; N65-L67 WeakPolarHBondContact OD1-CB 3.37Å; N65-L67 PolarHBondContact OD1-N 3.43Å; N65-G68 PolarHBondContact O-N 3.2Å; N65-G68 PolarHBondContact OD1-N 2.76Å; N65-R69 PolarHBondContact N-O 3.06Å; N65-R69 PolarHBondContact OD1-N 3.04Å; N65-R69 PolarHBondContact OD1-O 3.08Å |
| 66 | S | 81.5 | Confident | 92.1 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -4.1 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 116.5 | R45 | R45-S66 WeakPolarHBondContact O-CB 3.36Å; R45-S66 PolarHBondContact O-OG 2.98Å |
| 67 | L | 83.6 | Confident | 92.5 | Very high | 34 Ų | 34 | 34 Ų | 34 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 7.3 | 175.6 | -54.3 | 168 | 0 | 0 | 0 | 111.3 | V31 N65 R69 | V31-L67 HydrophobicContact CG2-CD2 4.44Å; N65-L67 PolarHBondContact O-N 3.02Å; N65-L67 WeakPolarHBondContact OD1-CA 3.2Å; N65-L67 WeakPolarHBondContact OD1-CB 3.37Å; N65-L67 PolarHBondContact OD1-N 3.43Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 HydrophobicContact CB-CG 4.3Å; L67-R69 PolarHBondContact O-N 3.46Å |
| 68 | G | 85.8 | Confident | 92.8 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 76.8 | 9.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q64 N65 | Q64-G68 VanDerWaalsContact CG-C 3.48Å; Q64-G68 PolarHBondContact NE2-O 2.79Å; N65-G68 PolarHBondContact O-N 3.2Å; N65-G68 PolarHBondContact OD1-N 2.76Å |
| 69 | R | 92.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 20% | 0.2 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -96.6 | 136.4 | -178.8 | -49.8 | -178.3 | 68.4 | 84.5 | 4.3 | 110.9 | N34 Q64 N65 L67 T81 S82 L83 | N34-R69 WeakPolarHBondContact OD1-CD 3.32Å; Q64-R69 CarbonylContact C-O 3.57Å; Q64-R69 WeakPolarHBondContact CA-O 3.34Å; N65-R69 PolarHBondContact N-O 3.06Å; N65-R69 PolarHBondContact OD1-N 3.04Å; N65-R69 PolarHBondContact OD1-O 3.08Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 HydrophobicContact CB-CG 4.3Å; L67-R69 PolarHBondContact O-N 3.46Å; R69-T81 PolarHBondContact NE-OG1 3.39Å; R69-T81 PolarHBondContact NH2-O 2.94Å; R69-S82 CarbonylContact C-O 3.53Å; R69-S82 VanDerWaalsContact CA-O 3.23Å; R69-S82 WeakPolarHBondContact CA-O 3.32Å; R69-S82 WeakPolarHBondContact CB-O 3.44Å; R69-L83 HydrophobicContact CG-CD2 4Å |
| 70 | F | 95.2 | Very high | 93.5 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 141.8 | 176.4 | -58.6 | -75.6 | 0 | 0 | 0 | 111.4 | I52 F62 L63 Q64 S72 T81 S82 K84 E89 | I52-F70 HydrophobicContact CD1-CE1 4.07Å; F62-F70 HydrophobicContact CB-CD1 3.61Å; F62-F70 HydrophobicContact CB-CE1 3.87Å; F62-F70 HydrophobicContact CG-CD1 4.28Å; F62-F70 HydrophobicContact CG-CE1 4.38Å; L63-F70 CarbonylContact O-C 3.57Å; L63-F70 VanDerWaalsContact O-CA 3.31Å; L63-F70 WeakPolarHBondContact O-CA 3.43Å; Q64-F70 HydrophobicContact CB-CD1 3.8Å; Q64-F70 HydrophobicContact CB-CE1 3.85Å; Q64-F70 HydrophobicContact CG-CD1 4.04Å; Q64-F70 HydrophobicContact CG-CE1 3.97Å; Q64-F70 HydrophobicContact CG-CZ 4.43Å; F70-S72 PolarHBondContact O-N 2.51Å; F70-T81 CarbonylContact O-C 3.44Å; F70-T81 VanDerWaalsContact O-CA 3.25Å; F70-T81 WeakPolarHBondContact O-CA 3.21Å; F70-S82 PolarHBondContact N-O 2.82Å; F70-S82 PolarHBondContact O-N 3.02Å; F70-K84 WeakPolarHBondContact CD2-O 3.34Å; F70-E89 HydrophobicContact CB-CB 4.06Å; F70-E89 HydrophobicContact CB-CG 3.74Å |
| 71 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 124.1 | 168.7 | -172.6 | 67 | 0 | 0 | 0 | 108.8 | I36 W49 L63 I79 E89 F91 L114 | I36-L71 HydrophobicContact CD1-CD1 3.17Å; W49-L71 HydrophobicContact CH2-CD1 4.32Å; W49-L71 HydrophobicContact CZ3-CB 4.17Å; W49-L71 HydrophobicContact CZ3-CD1 4.44Å; L63-L71 HydrophobicContact CB-CB 3.82Å; L63-L71 HydrophobicContact CB-CD2 4.33Å; L63-L71 HydrophobicContact CD1-CD2 3.6Å; L63-L71 PolarHBondContact O-N 2.96Å; L71-I79 HydrophobicContact CD1-CG2 3.36Å; L71-I79 HydrophobicContact CG-CG2 4.37Å; L71-E89 VanDerWaalsContact O-CA 3.3Å; L71-E89 WeakPolarHBondContact O-CA 3.41Å; L71-E89 WeakPolarHBondContact O-CB 3.08Å; L71-F91 HydrophobicContact CB-CE2 4.03Å; L71-F91 HydrophobicContact CB-CZ 4.29Å; L71-F91 HydrophobicContact CD2-CE1 4.14Å; L71-F91 HydrophobicContact CD2-CE2 3.95Å; L71-F91 HydrophobicContact CD2-CZ 3.51Å; L71-F91 HydrophobicContact CG-CE2 4.04Å; L71-F91 HydrophobicContact CG-CZ 3.78Å; L71-F91 WeakPolarHBondContact O-CE2 3.41Å; L71-L114 HydrophobicContact CD2-CD1 4.5Å; L71-L114 HydrophobicContact CD2-CD2 4.34Å |
| 72 | S | 96.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.9 | -177.8 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | F70 I79 S80 E89 | F70-S72 PolarHBondContact O-N 2.51Å; S72-I79 CarbonylContact O-C 3.59Å; S72-I79 WeakPolarHBondContact O-CA 3.5Å; S72-S80 PolarHBondContact N-O 3.14Å; S72-S80 PolarHBondContact O-N 3.25Å; S72-E89 WeakPolarHBondContact CB-OE1 3.41Å; S72-E89 PolarHBondContact OG-OE1 2.79Å |
| 73 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.9 | -179.7 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | I79 E88 F91 Y110 C123 | V73-I79 HydrophobicContact CG2-CG1 4.14Å; V73-E88 PolarHBondContact N-O 2.78Å; V73-E88 VanDerWaalsContact O-CB 3.31Å; V73-E88 WeakPolarHBondContact O-CB 3.34Å; V73-F91 HydrophobicContact CG2-CE1 4.01Å; V73-F91 HydrophobicContact CG2-CZ 3.6Å; V73-Y110 HydrophobicContact CG1-CD2 4.28Å; V73-Y110 WeakPolarHBondContact O-CE2 3.33Å; V73-C123 HydrophobicContact CB-CB 4.25Å; V73-C123 HydrophobicContact CG1-CB 3.64Å; V73-C123 HydrophobicContact CG2-CB 3.49Å; V73-C123 VanDerWaalsContact CG2-CB 3.49Å |
| 74 | N | 95.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | trans | -89 | 174.5 | 173.4 | 78.5 | 1.4 | 0 | 0 | 0 | 112.3 | D76 G77 K78 | N74-D76 PolarHBondContact O-N 3.15Å; N74-D76 PolarHBondContact OD1-N 3.25Å; N74-G77 PolarHBondContact O-N 2.88Å; N74-G77 PolarHBondContact OD1-N 2.86Å; N74-K78 PolarHBondContact N-O 3.02Å; N74-K78 VanDerWaalsContact N-O 3.11Å; N74-K78 WeakPolarHBondContact OD1-CB 3.43Å; N74-K78 PolarHBondContact OD1-N 3.03Å | ||
| 75 | K | 95.8 | Very high | 92.5 | Very high | 139 Ų | 139 | 51.6 Ų | 51.6 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.1 | 179 | 68.5 | -179.4 | -177.2 | 178.6 | 0 | 115.9 | G77 Y110 | K75-G77 VanDerWaalsContact C-N 3.29Å; K75-Y110 VanDerWaalsContact CA-CE1 3.48Å; K75-Y110 HydrophobicContact CB-CD1 4.1Å; K75-Y110 HydrophobicContact CB-CE1 3.52Å; K75-Y110 VanDerWaalsContact N-CZ 3.3Å; K75-Y110 PolarHBondContact N-OH 2.79Å |
| 76 | D | 95.5 | Very high | 92.4 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.3 | 179.8 | -54.8 | -50.1 | 0 | 0 | 0 | 111.6 | N74 K78 F124 | N74-D76 PolarHBondContact O-N 3.15Å; N74-D76 PolarHBondContact OD1-N 3.25Å; D76-K78 PolarHBondContact O-N 2.55Å; D76-F124 VanDerWaalsContact O-CD2 3.3Å; D76-F124 WeakPolarHBondContact O-CD2 3.31Å |
| 77 | G | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | trans | 71.5 | 13.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | N74 K75 S122 C123 | N74-G77 PolarHBondContact O-N 2.88Å; N74-G77 PolarHBondContact OD1-N 2.86Å; K75-G77 VanDerWaalsContact C-N 3.29Å; G77-S122 CarbonylContact O-C 3.58Å; G77-S122 WeakPolarHBondContact O-CB 3.49Å; G77-C123 WeakPolarHBondContact CA-O 3.14Å; G77-C123 PolarHBondContact O-N 3.12Å | ||
| 78 | K | 96.3 | Very high | 93.5 | Very high | 150 Ų | 150 | 58.4 Ų | 58.4 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | B | Isolated β-bridge | trans | -76 | 134.2 | 174.3 | -172.5 | 177.7 | 179 | -179.3 | 0 | 109.2 | N74 D76 | N74-K78 PolarHBondContact N-O 3.02Å; N74-K78 VanDerWaalsContact N-O 3.11Å; N74-K78 WeakPolarHBondContact OD1-CB 3.43Å; N74-K78 PolarHBondContact OD1-N 3.03Å; D76-K78 PolarHBondContact O-N 2.55Å |
| 79 | I | 95.9 | Very high | 94.1 | Very high | 23 Ų | 23 | 57.6 Ų | 57.6 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 143.4 | 178.9 | -66.5 | 174.6 | 0 | 0 | 0 | 110.5 | I36 L71 S72 V73 L114 V121 S122 C123 | I36-I79 HydrophobicContact CD1-CG2 3.71Å; L71-I79 HydrophobicContact CD1-CG2 3.36Å; L71-I79 HydrophobicContact CG-CG2 4.37Å; S72-I79 CarbonylContact O-C 3.59Å; S72-I79 WeakPolarHBondContact O-CA 3.5Å; V73-I79 HydrophobicContact CG2-CG1 4.14Å; I79-L114 HydrophobicContact CD1-CD1 3.31Å; I79-V121 HydrophobicContact CD1-CB 4.3Å; I79-V121 HydrophobicContact CD1-CG1 3.64Å; I79-S122 VanDerWaalsContact CD1-CA 3.47Å; I79-C123 HydrophobicContact CD1-CB 4.3Å; I79-C123 HydrophobicContact CG1-CB 4.17Å |
| 80 | S | 94.5 | Very high | 94.3 | Very high | 64 Ų | 64 | 57 Ų | 57 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | -173.3 | 167.5 | 70.8 | 0 | 0 | 0 | 0 | 110.4 | S72 | S72-S80 PolarHBondContact N-O 3.14Å; S72-S80 PolarHBondContact O-N 3.25Å |
| 81 | T | 94.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.3 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | N34 I36 R69 F70 | N34-T81 WeakPolarHBondContact CB-OG1 3.37Å; I36-T81 HydrophobicContact CD1-CG2 3.66Å; I36-T81 HydrophobicContact CG1-CG2 4.11Å; R69-T81 PolarHBondContact NE-OG1 3.39Å; R69-T81 PolarHBondContact NH2-O 2.94Å; F70-T81 CarbonylContact O-C 3.44Å; F70-T81 VanDerWaalsContact O-CA 3.25Å; F70-T81 WeakPolarHBondContact O-CA 3.21Å |
| 82 | S | 93 | Very high | 94.4 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149 | -175.9 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | R69 F70 K84 E89 | R69-S82 CarbonylContact C-O 3.53Å; R69-S82 VanDerWaalsContact CA-O 3.23Å; R69-S82 WeakPolarHBondContact CA-O 3.32Å; R69-S82 WeakPolarHBondContact CB-O 3.44Å; F70-S82 PolarHBondContact N-O 2.82Å; F70-S82 PolarHBondContact O-N 3.02Å; S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact OG-N 3.18Å; S82-K84 PolarHBondContact OG-O 2.88Å; S82-E89 WeakPolarHBondContact CB-OE1 3.42Å |
| 83 | L | 90 | Very high | 94.3 | Very high | 120 Ų | 120 | 61 Ų | 61 | 63% | 0.628 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -84.4 | -9.5 | 167.6 | -73.7 | 167.5 | 0 | 0 | 0 | 112.2 | R69 | R69-L83 HydrophobicContact CG-CD2 4Š|
| 84 | K | 89 | Confident | 94.3 | Very high | 160 Ų | 160 | 63.8 Ų | 63.8 | 70% | 0.696 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -103.2 | 145.4 | -179.8 | -60.8 | 179.9 | -178.9 | 178.3 | 0 | 109.3 | F70 S82 E89 | F70-K84 WeakPolarHBondContact CD2-O 3.34Å; S82-K84 VanDerWaalsContact C-N 3.29Å; S82-K84 PolarHBondContact OG-N 3.18Å; S82-K84 PolarHBondContact OG-O 2.88Å; K84-E89 WeakPolarHBondContact O-CG 3.48Å |
| 85 | S | 86.3 | Confident | 94.3 | Very high | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 32% | 0.316 | S | S | . | . | trans | -105.7 | 97.3 | 170.9 | 46 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | D | 89.7 | Confident | 94.1 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -128.2 | -160.4 | 177.7 | -155.8 | -12.2 | 0 | 0 | 0 | 110.8 | E88 E89 R90 | D86-E88 PolarHBondContact O-N 2.82Å; D86-E89 WeakPolarHBondContact CA-OE2 3.29Å; D86-E89 PolarHBondContact N-OE2 2.96Å; D86-E89 PolarHBondContact O-N 2.9Å; D86-R90 IonicContact OD1-NH2 2.63Å |
| 87 | C | 93.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.9 | -36.3 | -175 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | E89 R90 | C87-E89 PolarHBondContact O-N 3Å; C87-R90 PolarHBondContact O-N 3.01Å |
| 88 | E | 96.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 29% | 0.285 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -74.8 | -14.5 | -178.9 | -67.9 | -158.8 | 140.7 | 0 | 0 | 113.1 | V73 D86 Y110 | V73-E88 PolarHBondContact N-O 2.78Å; V73-E88 VanDerWaalsContact O-CB 3.31Å; V73-E88 WeakPolarHBondContact O-CB 3.34Å; D86-E88 PolarHBondContact O-N 2.82Å; E88-Y110 HydrophobicContact CG-CE2 4.14Å; E88-Y110 PolarHBondContact OE1-OH 2.96Å |
| 89 | E | 96.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -97.9 | -4.3 | 178.1 | -65.2 | 73.4 | -148.9 | 0 | 0 | 113.6 | F62 F70 L71 S72 S82 K84 D86 C87 F91 | F62-E89 HydrophobicContact CD1-CB 3.82Å; F62-E89 WeakPolarHBondContact CD1-O 3.32Å; F62-E89 HydrophobicContact CE1-CB 4.18Å; F70-E89 HydrophobicContact CB-CB 4.06Å; F70-E89 HydrophobicContact CB-CG 3.74Å; L71-E89 VanDerWaalsContact O-CA 3.3Å; L71-E89 WeakPolarHBondContact O-CA 3.41Å; L71-E89 WeakPolarHBondContact O-CB 3.08Å; S72-E89 WeakPolarHBondContact CB-OE1 3.41Å; S72-E89 PolarHBondContact OG-OE1 2.79Å; S82-E89 WeakPolarHBondContact CB-OE1 3.42Å; K84-E89 WeakPolarHBondContact O-CG 3.48Å; D86-E89 WeakPolarHBondContact CA-OE2 3.29Å; D86-E89 PolarHBondContact N-OE2 2.96Å; D86-E89 PolarHBondContact O-N 2.9Å; C87-E89 PolarHBondContact O-N 3Å; E89-F91 WeakPolarHBondContact O-CD2 3.46Å; E89-F91 WeakPolarHBondContact O-CE2 3.27Å |
| 90 | R | 96.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.9 | -179.8 | -70.9 | -173.2 | -158.4 | 103.9 | 20.7 | 111.9 | D54 N57 F62 D86 C87 D108 | D54-R90 WeakPolarHBondContact OD2-CD 3.46Å; D54-R90 IonicContact OD2-CZ 3.68Å; D54-R90 IonicContact OD2-NE 2.99Å; D54-R90 PolarHBondContact OD2-NE 3.39Å; N57-R90 PolarHBondContact ND2-NE 3.42Å; F62-R90 HydrophobicContact CD1-CG 4.28Å; F62-R90 HydrophobicContact CE1-CB 4.49Å; F62-R90 HydrophobicContact CE1-CG 3.48Å; F62-R90 VanDerWaalsContact CE1-CG 3.48Å; F62-R90 HydrophobicContact CZ-CG 3.88Å; D86-R90 IonicContact OD1-NH2 2.63Å; C87-R90 PolarHBondContact O-N 3.01Å; R90-D108 HydrophobicContact CB-CB 3.71Å; R90-D108 WeakPolarHBondContact O-CB 3.14Å; R90-D108 PolarHBondContact O-N 2.8Å |
| 91 | F | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153 | 174.1 | -65.9 | -97.3 | 0 | 0 | 0 | 111.9 | T60 L61 L63 L71 V73 E89 F105 K106 | T60-F91 WeakPolarHBondContact CA-O 3.47Å; L61-F91 HydrophobicContact CD1-CB 4.13Å; L61-F91 PolarHBondContact N-O 3.26Å; L61-F91 PolarHBondContact O-N 2.67Å; L63-F91 HydrophobicContact CD1-CD1 4.44Å; L63-F91 HydrophobicContact CD1-CD2 4.03Å; L63-F91 HydrophobicContact CD1-CE2 4.24Å; L63-F91 HydrophobicContact CD1-CG 4.15Å; L71-F91 HydrophobicContact CB-CE2 4.03Å; L71-F91 HydrophobicContact CB-CZ 4.29Å; L71-F91 HydrophobicContact CD2-CE1 4.14Å; L71-F91 HydrophobicContact CD2-CE2 3.95Å; L71-F91 HydrophobicContact CD2-CZ 3.51Å; L71-F91 HydrophobicContact CG-CE2 4.04Å; L71-F91 HydrophobicContact CG-CZ 3.78Å; L71-F91 WeakPolarHBondContact O-CE2 3.41Å; V73-F91 HydrophobicContact CG2-CE1 4.01Å; V73-F91 HydrophobicContact CG2-CZ 3.6Å; E89-F91 WeakPolarHBondContact O-CD2 3.46Å; E89-F91 WeakPolarHBondContact O-CE2 3.27Å; F91-F105 HydrophobicContact CD1-CB 4.1Å; F91-K106 CarbonylContact C-O 3.42Å; F91-K106 WeakPolarHBondContact CA-O 3.46Å |
| 92 | R | 97.3 | Very high | 92.2 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.9 | 164.3 | -66.1 | 175.2 | -177.2 | -93.3 | -17.8 | 109.5 | D59 T60 K106 D108 | D59-R92 IonicContact OD1-NH2 2.86Å; D59-R92 IonicContact OD2-CZ 2.7Å; D59-R92 VanDerWaalsContact OD2-CZ 3.22Å; D59-R92 IonicContact OD2-NH1 3.09Å; D59-R92 PolarHBondContact OD2-NH1 3.46Å; D59-R92 IonicContact OD2-NH2 2.88Å; D59-R92 PolarHBondContact OD2-NH2 2.79Å; D59-R92 VanDerWaalsContact OD2-NH2 3.09Å; T60-R92 HydrophobicContact CG2-CG 4.11Å; R92-K106 HydrophobicContact CB-CB 4.43Å; R92-K106 PolarHBondContact N-O 2.82Å; R92-K106 PolarHBondContact O-N 3.05Å; R92-D108 IonicContact CZ-OD1 2.8Å; R92-D108 IonicContact NE-OD1 3.25Å; R92-D108 PolarHBondContact NE-OD1 3.46Å; R92-D108 IonicContact NH2-OD1 3.69Å; R92-D108 PolarHBondContact NH2-OD1 2.74Å |
| 93 | L | 96.2 | Very high | 92.4 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.3 | 169.4 | -70.6 | 176.3 | 0 | 0 | 0 | 110.3 | L61 F95 W103 F105 Y238 | L61-L93 HydrophobicContact CD2-CD1 3.47Å; L61-L93 VanDerWaalsContact CD2-CD1 3.47Å; L61-L93 HydrophobicContact CD2-CD2 4.34Å; L61-L93 HydrophobicContact CD2-CG 3.59Å; L93-F95 HydrophobicContact CB-CE2 4.38Å; L93-F95 HydrophobicContact CB-CZ 3.94Å; L93-F95 HydrophobicContact CD1-CZ 4.21Å; L93-W103 HydrophobicContact CD1-CE3 3.93Å; L93-W103 HydrophobicContact CD1-CH2 4.22Å; L93-W103 HydrophobicContact CD1-CZ3 3.57Å; L93-W103 HydrophobicContact CD2-CE3 3.59Å; L93-W103 HydrophobicContact CD2-CZ3 4.01Å; L93-W103 HydrophobicContact CG-CE3 4.4Å; L93-W103 HydrophobicContact CG-CZ3 4.46Å; L93-F105 HydrophobicContact CD2-CD1 3.48Å; L93-F105 VanDerWaalsContact CD2-CD1 3.48Å; L93-F105 HydrophobicContact CD2-CE1 3.38Å; L93-F105 HydrophobicContact CD2-CG 4.38Å; L93-F105 HydrophobicContact CD2-CZ 4.2Å; L93-Y238 HydrophobicContact CD1-CD1 3.93Å |
| 94 | E | 96.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 147.1 | 166.1 | -64.5 | -175.9 | -172.1 | 0 | 0 | 109.3 | W103 A104 K106 Y113 | E94-W103 CarbonylContact O-C 3.5Å; E94-W103 WeakPolarHBondContact O-CA 3.25Å; E94-A104 HydrophobicContact CB-CB 4.34Å; E94-A104 PolarHBondContact N-O 2.89Å; E94-A104 PolarHBondContact O-N 3.01Å; E94-K106 WeakPolarHBondContact OE1-CD 3.21Å; E94-K106 IonicContact OE1-NZ 3.57Å; E94-K106 PolarHBondContact OE1-NZ 2.66Å; E94-Y113 PolarHBondContact OE1-OH 2.91Å; E94-Y113 WeakPolarHBondContact OE2-CE1 3.31Å; E94-Y113 PolarHBondContact OE2-OH 2.83Å |
| 95 | F | 94.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.1 | -176 | -57.3 | -72 | 0 | 0 | 0 | 110.4 | L93 W103 E237 Y238 | L93-F95 HydrophobicContact CB-CE2 4.38Å; L93-F95 HydrophobicContact CB-CZ 3.94Å; L93-F95 HydrophobicContact CD1-CZ 4.21Å; F95-W103 AromaticContact CD1-CD1 3.67Å; F95-W103 HydrophobicContact CD1-CD2 4.42Å; F95-W103 HydrophobicContact CD1-CG 4.11Å; F95-W103 AromaticContact CD1-NE1 3.72Å; F95-W103 AromaticContact CE1-CD1 3.81Å; F95-W103 AromaticContact CE1-CD2 3.83Å; F95-W103 HydrophobicContact CE1-CD2 3.83Å; F95-W103 AromaticContact CE1-CE2 3.57Å; F95-W103 HydrophobicContact CE1-CE3 4.49Å; F95-W103 AromaticContact CE1-CG 3.98Å; F95-W103 HydrophobicContact CE1-CG 3.98Å; F95-W103 HydrophobicContact CE1-CZ2 4.03Å; F95-W103 AromaticContact CE1-NE1 3.55Å; F95-E237 HydrophobicContact CB-CG 4.15Å; F95-E237 HydrophobicContact CD1-CB 4.05Å; F95-E237 HydrophobicContact CD1-CG 3.73Å; F95-E237 HydrophobicContact CD2-CB 4.05Å; F95-E237 HydrophobicContact CD2-CG 4.02Å; F95-E237 HydrophobicContact CE1-CB 4Å; F95-E237 HydrophobicContact CE1-CG 4.19Å; F95-E237 HydrophobicContact CE2-CB 3.99Å; F95-E237 HydrophobicContact CE2-CG 4.45Å; F95-E237 HydrophobicContact CG-CB 4.1Å; F95-E237 HydrophobicContact CG-CG 3.66Å; F95-E237 HydrophobicContact CZ-CB 3.99Å; F95-Y238 WeakPolarHBondContact CE2-O 3.34Å; F95-Y238 WeakPolarHBondContact CZ-O 3.41Å |
| 96 | A | 93.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | trans | -60.9 | 135 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | D98 T100 E102 W130 R249 | A96-D98 WeakPolarHBondContact CB-OD1 3.49Å; A96-D98 PolarHBondContact O-N 3.41Å; A96-T100 WeakPolarHBondContact CB-OG1 3.08Å; A96-E102 HydrophobicContact CB-CB 3.89Å; A96-E102 PolarHBondContact N-O 3.28Å; A96-W130 HydrophobicContact CB-CD2 4.17Å; A96-W130 HydrophobicContact CB-CE3 3.99Å; A96-W130 HydrophobicContact CB-CH2 4.12Å; A96-W130 HydrophobicContact CB-CZ2 4.25Å; A96-W130 HydrophobicContact CB-CZ3 3.98Å; A96-W130 VanDerWaalsContact N-CZ3 3.31Å; A96-R249 PolarHBondContact O-NH1 2.76Å | ||
| 97 | P | 87.4 | Confident | 94.2 | Very high | 100 Ų | 100 | 32.8 Ų | 32.8 | 65% | 0.649 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -18.1 | -173.8 | 28.2 | -34.7 | 0 | 0 | 0 | 113.4 | G99 R249 | P97-G99 PolarHBondContact O-N 2.85Å; P97-R249 VanDerWaalsContact C-NH1 3.34Å; P97-R249 PolarHBondContact O-NH1 3.25Å |
| 98 | D | 85.7 | Confident | 94.4 | Very high | 95 Ų | 95 | 32.5 Ų | 32.5 | 51% | 0.508 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 4.6 | -169.8 | 62.3 | 0.4 | 0 | 0 | 0 | 115 | A96 T100 | A96-D98 WeakPolarHBondContact CB-OD1 3.49Å; A96-D98 PolarHBondContact O-N 3.41Å; D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.15Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.38Å; D98-T100 PolarHBondContact OD1-N 2.95Å; D98-T100 PolarHBondContact OD1-OG1 3.22Å; D98-T100 VanDerWaalsContact OD2-CG2 3.26Å; D98-T100 WeakPolarHBondContact OD2-CG2 3.36Å |
| 99 | G | 82 | Confident | 94.4 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 77.9 | 6.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P97 G101 R207 | P97-G99 PolarHBondContact O-N 2.85Å; G99-G101 PolarHBondContact O-N 2.83Å; G99-G101 VanDerWaalsContact O-N 3.17Å; G99-R207 PolarHBondContact O-NE 2.76Å |
| 100 | T | 90.4 | Very high | 94.4 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 23% | 0.233 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -59.1 | -24.5 | 175.2 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | A96 D98 E102 R207 | A96-T100 WeakPolarHBondContact CB-OG1 3.08Å; D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 3.15Å; D98-T100 WeakPolarHBondContact OD1-CB 3.48Å; D98-T100 WeakPolarHBondContact OD1-CG2 3.38Å; D98-T100 PolarHBondContact OD1-N 2.95Å; D98-T100 PolarHBondContact OD1-OG1 3.22Å; D98-T100 VanDerWaalsContact OD2-CG2 3.26Å; D98-T100 WeakPolarHBondContact OD2-CG2 3.36Å; T100-E102 WeakPolarHBondContact OG1-CG 3.31Å; T100-R207 WeakPolarHBondContact O-CD 3.29Å; T100-R207 WeakPolarHBondContact O-CG 3.29Å |
| 101 | G | 90 | Very high | 94.4 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | trans | 84.6 | 14.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G99 | G99-G101 PolarHBondContact O-N 2.83Å; G99-G101 VanDerWaalsContact O-N 3.17Å | ||
| 102 | E | 96 | Very high | 94.5 | Very high | 23 Ų | 23 | 36.2 Ų | 36.2 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | trans | -80.9 | 146.7 | 179.6 | -58.7 | 169.3 | 175 | 0 | 0 | 112.3 | I21 A96 T100 W130 W131 S203 | I21-E102 HydrophobicContact CD1-CB 4.36Å; I21-E102 HydrophobicContact CD1-CG 3.69Å; A96-E102 HydrophobicContact CB-CB 3.89Å; A96-E102 PolarHBondContact N-O 3.28Å; T100-E102 WeakPolarHBondContact OG1-CG 3.31Å; E102-W130 HydrophobicContact CB-CB 3.93Å; E102-W130 HydrophobicContact CB-CD2 4.43Å; E102-W130 HydrophobicContact CB-CE3 4.21Å; E102-W130 HydrophobicContact CB-CG 4.34Å; E102-W130 HydrophobicContact CG-CB 4.39Å; E102-W130 WeakPolarHBondContact OE2-CB 3.46Å; E102-W130 VanDerWaalsContact OE2-CG 3.29Å; E102-W131 CarbonylContact C-O 3.51Å; E102-W131 WeakPolarHBondContact CA-O 3.3Å; E102-S203 WeakPolarHBondContact OE1-CB 3.34Å; E102-S203 PolarHBondContact OE1-OG 2.81Å | ||
| 103 | W | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 147.7 | -176.8 | -68 | 24.4 | 0 | 0 | 0 | 110.1 | L14 I16 L51 L93 E94 F95 F105 W131 F133 F236 | L14-W103 HydrophobicContact CD2-CH2 3.94Å; I16-W103 HydrophobicContact CD1-CZ3 4.26Å; L51-W103 HydrophobicContact CD1-CH2 4.18Å; L51-W103 HydrophobicContact CD1-CZ3 3.68Å; L93-W103 HydrophobicContact CD1-CE3 3.93Å; L93-W103 HydrophobicContact CD1-CH2 4.22Å; L93-W103 HydrophobicContact CD1-CZ3 3.57Å; L93-W103 HydrophobicContact CD2-CE3 3.59Å; L93-W103 HydrophobicContact CD2-CZ3 4.01Å; L93-W103 HydrophobicContact CG-CE3 4.4Å; L93-W103 HydrophobicContact CG-CZ3 4.46Å; E94-W103 CarbonylContact O-C 3.5Å; E94-W103 WeakPolarHBondContact O-CA 3.25Å; F95-W103 AromaticContact CD1-CD1 3.67Å; F95-W103 HydrophobicContact CD1-CD2 4.42Å; F95-W103 HydrophobicContact CD1-CG 4.11Å; F95-W103 AromaticContact CD1-NE1 3.72Å; F95-W103 AromaticContact CE1-CD1 3.81Å; F95-W103 AromaticContact CE1-CD2 3.83Å; F95-W103 HydrophobicContact CE1-CD2 3.83Å; F95-W103 AromaticContact CE1-CE2 3.57Å; F95-W103 HydrophobicContact CE1-CE3 4.49Å; F95-W103 AromaticContact CE1-CG 3.98Å; F95-W103 HydrophobicContact CE1-CG 3.98Å; F95-W103 HydrophobicContact CE1-CZ2 4.03Å; F95-W103 AromaticContact CE1-NE1 3.55Å; W103-F105 HydrophobicContact CE3-CE1 4.36Å; W103-F105 HydrophobicContact CE3-CZ 4.13Å; W103-W131 PolarHBondContact N-O 2.67Å; W103-W131 PolarHBondContact O-N 2.63Å; W103-F133 AromaticContact CD1-CD1 3.96Å; W103-F133 HydrophobicContact CD2-CD1 4.13Å; W103-F133 AromaticContact CE2-CD1 3.76Å; W103-F133 AromaticContact CE2-CE1 3.75Å; W103-F133 HydrophobicContact CG-CD1 4.27Å; W103-F133 HydrophobicContact CZ2-CD1 4.27Å; W103-F133 HydrophobicContact CZ2-CE1 4.07Å; W103-F133 HydrophobicContact CZ2-CZ 4.38Å; W103-F133 AromaticContact NE1-CD1 3.65Å; W103-F133 AromaticContact NE1-CE1 3.44Å; W103-F236 VanDerWaalsContact CE2-O 3.28Å; W103-F236 HydrophobicContact CZ2-CD1 4.03Å; W103-F236 WeakPolarHBondContact CZ2-O 3.26Å; W103-F236 PolarHBondContact NE1-O 2.95Å |
| 104 | A | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | E94 Y113 P128 V129 W130 | E94-A104 HydrophobicContact CB-CB 4.34Å; E94-A104 PolarHBondContact N-O 2.89Å; E94-A104 PolarHBondContact O-N 3.01Å; A104-Y113 HydrophobicContact CB-CD1 4.05Å; A104-Y113 HydrophobicContact CB-CE1 4.44Å; A104-P128 HydrophobicContact CB-CB 4.15Å; A104-V129 WeakPolarHBondContact CB-O 3.32Å; A104-W130 HydrophobicContact CB-CE3 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.76Å |
| 105 | F | 98.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.6 | 178.1 | -56.9 | -90.3 | 0 | 0 | 0 | 108.7 | I16 I18 L51 L63 F91 L93 W103 Y113 L114 W131 | I16-F105 HydrophobicContact CD1-CZ 4.24Å; I18-F105 HydrophobicContact CD1-CE1 4.25Å; I18-F105 HydrophobicContact CD1-CE2 3.99Å; I18-F105 HydrophobicContact CD1-CZ 3.71Å; I18-F105 HydrophobicContact CG1-CE2 4.15Å; I18-F105 HydrophobicContact CG1-CZ 3.87Å; I18-F105 HydrophobicContact CG2-CE2 3.89Å; I18-F105 HydrophobicContact CG2-CZ 4.46Å; L51-F105 HydrophobicContact CD2-CE1 4.12Å; L63-F105 HydrophobicContact CD1-CD1 3.74Å; L63-F105 HydrophobicContact CD1-CE1 4.2Å; L63-F105 HydrophobicContact CD1-CG 4.28Å; L63-F105 HydrophobicContact CD2-CD1 4.34Å; L63-F105 HydrophobicContact CD2-CE1 3.97Å; L63-F105 HydrophobicContact CG-CD1 4.44Å; F91-F105 HydrophobicContact CD1-CB 4.1Å; L93-F105 HydrophobicContact CD2-CD1 3.48Å; L93-F105 VanDerWaalsContact CD2-CD1 3.48Å; L93-F105 HydrophobicContact CD2-CE1 3.38Å; L93-F105 HydrophobicContact CD2-CG 4.38Å; L93-F105 HydrophobicContact CD2-CZ 4.2Å; W103-F105 HydrophobicContact CE3-CE1 4.36Å; W103-F105 HydrophobicContact CE3-CZ 4.13Å; F105-Y113 WeakPolarHBondContact O-CA 3.28Å; F105-L114 HydrophobicContact CB-CB 3.94Å; F105-L114 HydrophobicContact CB-CD2 4.22Å; F105-L114 HydrophobicContact CD2-CD2 4.01Å; F105-L114 HydrophobicContact CG-CD2 4.29Å; F105-L114 PolarHBondContact O-N 2.98Å; F105-W131 AromaticContact CD2-CD1 3.94Å; F105-W131 HydrophobicContact CD2-CG 4.36Å; F105-W131 HydrophobicContact CE2-CB 4.25Å; F105-W131 HydrophobicContact CE2-CG 4.25Å |
| 106 | K | 98.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 30 Ų | 30 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.1 | -178.3 | -174 | -177.3 | -170.6 | 167.1 | 0 | 110.2 | F91 R92 E94 D108 G111 F112 Y113 | F91-K106 CarbonylContact C-O 3.42Å; F91-K106 WeakPolarHBondContact CA-O 3.46Å; R92-K106 HydrophobicContact CB-CB 4.43Å; R92-K106 PolarHBondContact N-O 2.82Å; R92-K106 PolarHBondContact O-N 3.05Å; E94-K106 WeakPolarHBondContact OE1-CD 3.21Å; E94-K106 IonicContact OE1-NZ 3.57Å; E94-K106 PolarHBondContact OE1-NZ 2.66Å; K106-D108 PolarHBondContact O-N 2.9Å; K106-G111 WeakPolarHBondContact CE-O 3.33Å; K106-F112 CarbonylContact C-O 3.6Å; K106-F112 WeakPolarHBondContact CA-O 3.31Å; K106-Y113 HydrophobicContact CB-CD1 3.79Å; K106-Y113 HydrophobicContact CB-CE1 3.71Å; K106-Y113 HydrophobicContact CD-CE1 3.84Å; K106-Y113 HydrophobicContact CG-CD1 4.16Å; K106-Y113 HydrophobicContact CG-CE1 3.88Å; K106-Y113 PolarHBondContact NZ-OH 3.15Å |
| 107 | S | 97.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 124.1 | 169.9 | 172.1 | 0 | 0 | 0 | 0 | 109.4 | Y110 G111 F112 | S107-Y110 PolarHBondContact OG-N 2.64Å; S107-G111 VanDerWaalsContact O-CA 3.28Å; S107-G111 WeakPolarHBondContact O-CA 3.45Å; S107-G111 PolarHBondContact O-N 3.01Å; S107-F112 PolarHBondContact N-O 3Å |
| 108 | D | 97.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -41.2 | 177.8 | -176.8 | 65.6 | 0 | 0 | 0 | 111 | T60 R90 R92 K106 | T60-D108 HydrophobicContact CG2-CB 4.33Å; R90-D108 HydrophobicContact CB-CB 3.71Å; R90-D108 WeakPolarHBondContact O-CB 3.14Å; R90-D108 PolarHBondContact O-N 2.8Å; R92-D108 IonicContact CZ-OD1 2.8Å; R92-D108 IonicContact NE-OD1 3.25Å; R92-D108 PolarHBondContact NE-OD1 3.46Å; R92-D108 IonicContact NH2-OD1 3.69Å; R92-D108 PolarHBondContact NH2-OD1 2.74Å; K106-D108 PolarHBondContact O-N 2.9Å |
| 109 | A | 96 | Very high | 94.9 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -38.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 110 | Y | 97.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 40 Ų | 40 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -11.3 | -168.4 | -56.7 | -62.7 | 0 | 0 | 0 | 114.6 | V73 K75 E88 S107 F112 | V73-Y110 HydrophobicContact CG1-CD2 4.28Å; V73-Y110 WeakPolarHBondContact O-CE2 3.33Å; K75-Y110 VanDerWaalsContact CA-CE1 3.48Å; K75-Y110 HydrophobicContact CB-CD1 4.1Å; K75-Y110 HydrophobicContact CB-CE1 3.52Å; K75-Y110 VanDerWaalsContact N-CZ 3.3Å; K75-Y110 PolarHBondContact N-OH 2.79Å; E88-Y110 HydrophobicContact CG-CE2 4.14Å; E88-Y110 PolarHBondContact OE1-OH 2.96Å; S107-Y110 PolarHBondContact OG-N 2.64Å; Y110-F112 PolarHBondContact O-N 2.9Å |
| 111 | G | 97 | Very high | 95.7 | Very high | 29 Ų | 29 | 39.2 Ų | 39.2 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | trans | 73.1 | 6.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K106 S107 | K106-G111 WeakPolarHBondContact CE-O 3.33Å; S107-G111 VanDerWaalsContact O-CA 3.28Å; S107-G111 WeakPolarHBondContact O-CA 3.45Å; S107-G111 PolarHBondContact O-N 3.01Å | ||
| 112 | F | 97.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 156.1 | 176.3 | -59.7 | -50.7 | 0 | 0 | 0 | 112.4 | K106 S107 Y110 C123 F124 S125 K126 | K106-F112 CarbonylContact C-O 3.6Å; K106-F112 WeakPolarHBondContact CA-O 3.31Å; S107-F112 PolarHBondContact N-O 3Å; Y110-F112 PolarHBondContact O-N 2.9Å; F112-C123 WeakPolarHBondContact CB-O 3.28Å; F112-C123 PolarHBondContact O-SG 2.86Å; F112-F124 AromaticContact CD2-CD2 3.79Å; F112-F124 HydrophobicContact CD2-CD2 3.79Å; F112-F124 HydrophobicContact CD2-CE2 4.21Å; F112-F124 HydrophobicContact CE1-CD2 4.49Å; F112-F124 HydrophobicContact CE1-CE2 4.42Å; F112-F124 AromaticContact CE2-CD2 3.66Å; F112-F124 HydrophobicContact CE2-CD2 3.66Å; F112-F124 AromaticContact CE2-CE2 3.58Å; F112-F124 HydrophobicContact CE2-CE2 3.58Å; F112-F124 HydrophobicContact CG-CD2 4.28Å; F112-F124 HydrophobicContact CZ-CD2 4.04Å; F112-F124 AromaticContact CZ-CE2 3.72Å; F112-F124 HydrophobicContact CZ-CE2 3.72Å; F112-F124 HydrophobicContact CZ-CZ 4.39Å; F112-S125 CarbonylContact C-O 3.07Å; F112-S125 WeakPolarHBondContact CA-O 3.47Å; F112-K126 HydrophobicContact CD1-CG 4.36Å; F112-K126 HydrophobicContact CE1-CG 4.2Å |
| 113 | Y | 98.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.8 | 179.8 | -57.5 | -93.2 | 0 | 0 | 0 | 112.4 | E94 A104 F105 K106 T115 C123 S125 S127 P128 | E94-Y113 PolarHBondContact OE1-OH 2.91Å; E94-Y113 WeakPolarHBondContact OE2-CE1 3.31Å; E94-Y113 PolarHBondContact OE2-OH 2.83Å; A104-Y113 HydrophobicContact CB-CD1 4.05Å; A104-Y113 HydrophobicContact CB-CE1 4.44Å; F105-Y113 WeakPolarHBondContact O-CA 3.28Å; K106-Y113 HydrophobicContact CB-CD1 3.79Å; K106-Y113 HydrophobicContact CB-CE1 3.71Å; K106-Y113 HydrophobicContact CD-CE1 3.84Å; K106-Y113 HydrophobicContact CG-CD1 4.16Å; K106-Y113 HydrophobicContact CG-CE1 3.88Å; K106-Y113 PolarHBondContact NZ-OH 3.15Å; Y113-T115 PolarHBondContact O-N 3.49Å; Y113-C123 WeakPolarHBondContact O-CA 3.37Å; Y113-S125 WeakPolarHBondContact CD2-O 3.49Å; Y113-S125 PolarHBondContact N-O 2.75Å; Y113-S125 PolarHBondContact O-N 3.32Å; Y113-S127 WeakPolarHBondContact CD2-O 3.09Å; Y113-P128 HydrophobicContact CD1-CB 4.36Å; Y113-P128 HydrophobicContact CE1-CB 4.18Å; Y113-P128 HydrophobicContact CE1-CG 3.96Å; Y113-P128 HydrophobicContact CE2-CG 4.27Å |
| 114 | L | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 126.3 | 171.6 | 179.9 | 62.7 | 0 | 0 | 0 | 109.8 | L27 L71 I79 F105 V121 C123 V129 W131 | L27-L114 HydrophobicContact CD2-CD2 4.24Å; L71-L114 HydrophobicContact CD2-CD1 4.5Å; L71-L114 HydrophobicContact CD2-CD2 4.34Å; I79-L114 HydrophobicContact CD1-CD1 3.31Å; F105-L114 HydrophobicContact CB-CB 3.94Å; F105-L114 HydrophobicContact CB-CD2 4.22Å; F105-L114 HydrophobicContact CD2-CD2 4.01Å; F105-L114 HydrophobicContact CG-CD2 4.29Å; F105-L114 PolarHBondContact O-N 2.98Å; L114-V121 HydrophobicContact CD1-CG1 3.96Å; L114-C123 PolarHBondContact N-SG 3.42Å; L114-C123 VanDerWaalsContact N-SG 3.42Å; L114-V129 WeakPolarHBondContact O-CB 3.36Å; L114-W131 HydrophobicContact CD2-CZ2 4.39Å; L114-W131 HydrophobicContact CG-CZ2 3.93Å; L114-W131 PolarHBondContact O-NE1 3.42Å |
| 115 | T | 97.1 | Very high | 96 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 23% | 0.233 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.5 | -176.9 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | Y113 S122 | Y113-T115 PolarHBondContact O-N 3.49Å; T115-S122 CarbonylContact C-O 3.47Å; T115-S122 WeakPolarHBondContact CG2-OG 3.34Å; T115-S122 PolarHBondContact N-O 3.32Å; T115-S122 PolarHBondContact O-N 3.12Å |
| 116 | G | 92.6 | Very high | 96 | Very high | 12 Ų | 12 | 54 Ų | 54 | 12% | 0.124 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H20 I38 Q120 | H20-G116 PolarHBondContact CD2-O 2.63Å; H20-G116 PolarHBondContact NE2-O 3.42Å; H20-G116 VanDerWaalsContact NE2-O 3.1Å; I38-G116 VanDerWaalsContact CD1-C 3.48Å; I38-G116 WeakPolarHBondContact CD1-O 3.42Å; G116-Q120 WeakPolarHBondContact CA-O 3.46Å |
| 117 | S | 90 | Very high | 95.9 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 135.4 | 171.4 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | T119 Q120 | S117-T119 PolarHBondContact O-N 3.45Å; S117-Q120 PolarHBondContact N-O 2.77Å; S117-Q120 PolarHBondContact O-N 3.39Å |
| 118 | D | 91 | Very high | 95.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -108.7 | 176.8 | -157.9 | 27.1 | 0 | 0 | 0 | 112.1 | N37 I38 | N37-D118 CarbonylContact C-O 3.47Å; N37-D118 WeakPolarHBondContact CA-O 3.46Å; N37-D118 WeakPolarHBondContact CB-O 3.18Å; I38-D118 PolarHBondContact N-O 3.05Å |
| 119 | T | 92.6 | Very high | 95.8 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -8.1 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | S117 V121 | S117-T119 PolarHBondContact O-N 3.45Å; T119-V121 PolarHBondContact O-N 3.28Å |
| 120 | Q | 92.7 | Very high | 95.9 | Very high | 155 Ų | 155 | 58 Ų | 58 | 72% | 0.724 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 68.5 | -176.1 | -63.5 | -177.2 | -2.3 | 0 | 0 | 111 | G116 S117 | G116-Q120 WeakPolarHBondContact CA-O 3.46Å; S117-Q120 PolarHBondContact N-O 2.77Å; S117-Q120 PolarHBondContact O-N 3.39Å |
| 121 | V | 96.4 | Very high | 95.9 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.7 | 176.2 | -160.9 | 0 | 0 | 0 | 0 | 109.7 | L27 I36 I38 I79 L114 T119 | L27-V121 HydrophobicContact CD1-CG1 3.94Å; L27-V121 HydrophobicContact CD1-CG2 4.4Å; I36-V121 HydrophobicContact CG2-CB 4.41Å; I36-V121 HydrophobicContact CG2-CG1 4.28Å; I36-V121 HydrophobicContact CG2-CG2 4.32Å; I36-V121 WeakPolarHBondContact O-CG2 3.22Å; I38-V121 HydrophobicContact CD1-CG2 4.26Å; I38-V121 HydrophobicContact CG1-CG2 3.91Å; I79-V121 HydrophobicContact CD1-CB 4.3Å; I79-V121 HydrophobicContact CD1-CG1 3.64Å; L114-V121 HydrophobicContact CD1-CG1 3.96Å; T119-V121 PolarHBondContact O-N 3.28Å |
| 122 | S | 96.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 169.3 | 179.8 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | G77 I79 T115 | G77-S122 CarbonylContact O-C 3.58Å; G77-S122 WeakPolarHBondContact O-CB 3.49Å; I79-S122 VanDerWaalsContact CD1-CA 3.47Å; T115-S122 CarbonylContact C-O 3.47Å; T115-S122 WeakPolarHBondContact CG2-OG 3.34Å; T115-S122 PolarHBondContact N-O 3.32Å; T115-S122 PolarHBondContact O-N 3.12Å |
| 123 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 67.3 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | V73 G77 I79 F112 Y113 L114 | V73-C123 HydrophobicContact CB-CB 4.25Å; V73-C123 HydrophobicContact CG1-CB 3.64Å; V73-C123 HydrophobicContact CG2-CB 3.49Å; V73-C123 VanDerWaalsContact CG2-CB 3.49Å; G77-C123 WeakPolarHBondContact CA-O 3.14Å; G77-C123 PolarHBondContact O-N 3.12Å; I79-C123 HydrophobicContact CD1-CB 4.3Å; I79-C123 HydrophobicContact CG1-CB 4.17Å; F112-C123 WeakPolarHBondContact CB-O 3.28Å; F112-C123 PolarHBondContact O-SG 2.86Å; Y113-C123 WeakPolarHBondContact O-CA 3.37Å; L114-C123 PolarHBondContact N-SG 3.42Å; L114-C123 VanDerWaalsContact N-SG 3.42Å |
| 124 | F | 96.1 | Very high | 95.4 | Very high | 103 Ų | 103 | 52.6 Ų | 52.6 | 45% | 0.452 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 5.1 | -175.4 | -155.5 | -112.8 | 0 | 0 | 0 | 113.4 | D76 F112 | D76-F124 VanDerWaalsContact O-CD2 3.3Å; D76-F124 WeakPolarHBondContact O-CD2 3.31Å; F112-F124 AromaticContact CD2-CD2 3.79Å; F112-F124 HydrophobicContact CD2-CD2 3.79Å; F112-F124 HydrophobicContact CD2-CE2 4.21Å; F112-F124 HydrophobicContact CE1-CD2 4.49Å; F112-F124 HydrophobicContact CE1-CE2 4.42Å; F112-F124 AromaticContact CE2-CD2 3.66Å; F112-F124 HydrophobicContact CE2-CD2 3.66Å; F112-F124 AromaticContact CE2-CE2 3.58Å; F112-F124 HydrophobicContact CE2-CE2 3.58Å; F112-F124 HydrophobicContact CG-CD2 4.28Å; F112-F124 HydrophobicContact CZ-CD2 4.04Å; F112-F124 AromaticContact CZ-CE2 3.72Å; F112-F124 HydrophobicContact CZ-CE2 3.72Å; F112-F124 HydrophobicContact CZ-CZ 4.39Å |
| 125 | S | 97.5 | Very high | 95 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.161 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.8 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 110 | F112 Y113 S127 V129 | F112-S125 CarbonylContact C-O 3.07Å; F112-S125 WeakPolarHBondContact CA-O 3.47Å; Y113-S125 WeakPolarHBondContact CD2-O 3.49Å; Y113-S125 PolarHBondContact N-O 2.75Å; Y113-S125 PolarHBondContact O-N 3.32Å; S125-S127 PolarHBondContact OG-N 2.89Å; S125-S127 PolarHBondContact OG-O 2.85Å; S125-V129 WeakPolarHBondContact OG-CG2 3.36Å |
| 126 | K | 96.4 | Very high | 94.6 | Very high | 176 Ų | 176 | 52.1 Ų | 52.1 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -86.5 | -15.6 | 176.8 | -64.9 | -176.9 | -179.9 | 179.7 | 0 | 113.2 | F112 | F112-K126 HydrophobicContact CD1-CG 4.36Å; F112-K126 HydrophobicContact CE1-CG 4.2Å |
| 127 | S | 96.7 | Very high | 94.2 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -115.1 | 153.5 | 175.2 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | Y113 S125 V129 | Y113-S127 WeakPolarHBondContact CD2-O 3.09Å; S125-S127 PolarHBondContact OG-N 2.89Å; S125-S127 PolarHBondContact OG-O 2.85Å; S127-V129 PolarHBondContact O-N 2.93Å |
| 128 | P | 97.2 | Very high | 94.3 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | trans | -50.5 | 133.8 | 175.6 | -27.7 | 35 | 0 | 0 | 0 | 112 | A104 Y113 W130 | A104-P128 HydrophobicContact CB-CB 4.15Å; Y113-P128 HydrophobicContact CD1-CB 4.36Å; Y113-P128 HydrophobicContact CE1-CB 4.18Å; Y113-P128 HydrophobicContact CE1-CG 3.96Å; Y113-P128 HydrophobicContact CE2-CG 4.27Å; P128-W130 HydrophobicContact CB-CH2 3.92Å; P128-W130 HydrophobicContact CB-CZ2 3.73Å; P128-W130 HydrophobicContact CB-CZ3 4.39Å; P128-W130 HydrophobicContact CG-CZ2 4.39Å | ||
| 129 | V | 97.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | trans | -114.4 | 120.4 | 170 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | A104 L114 S125 S127 W131 | A104-V129 WeakPolarHBondContact CB-O 3.32Å; L114-V129 WeakPolarHBondContact O-CB 3.36Å; S125-V129 WeakPolarHBondContact OG-CG2 3.36Å; S127-V129 PolarHBondContact O-N 2.93Å; V129-W131 PolarHBondContact O-NE1 2.94Å | ||
| 130 | W | 97 | Very high | 94.6 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 30% | 0.303 | 21% | 0.208 | S | C | . | . | trans | -86.8 | 133.2 | -171 | -59.9 | 123.4 | 0 | 0 | 0 | 111.8 | I21 A96 E102 A104 P128 | I21-W130 HydrophobicContact CD1-CB 3.92Å; I21-W130 VanDerWaalsContact CD1-O 3.26Å; I21-W130 WeakPolarHBondContact CD1-O 3.06Å; A96-W130 HydrophobicContact CB-CD2 4.17Å; A96-W130 HydrophobicContact CB-CE3 3.99Å; A96-W130 HydrophobicContact CB-CH2 4.12Å; A96-W130 HydrophobicContact CB-CZ2 4.25Å; A96-W130 HydrophobicContact CB-CZ3 3.98Å; A96-W130 VanDerWaalsContact N-CZ3 3.31Å; E102-W130 HydrophobicContact CB-CB 3.93Å; E102-W130 HydrophobicContact CB-CD2 4.43Å; E102-W130 HydrophobicContact CB-CE3 4.21Å; E102-W130 HydrophobicContact CB-CG 4.34Å; E102-W130 HydrophobicContact CG-CB 4.39Å; E102-W130 WeakPolarHBondContact OE2-CB 3.46Å; E102-W130 VanDerWaalsContact OE2-CG 3.29Å; A104-W130 HydrophobicContact CB-CE3 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.76Å; P128-W130 HydrophobicContact CB-CH2 3.92Å; P128-W130 HydrophobicContact CB-CZ2 3.73Å; P128-W130 HydrophobicContact CB-CZ3 4.39Å; P128-W130 HydrophobicContact CG-CZ2 4.39Å | ||
| 131 | W | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.3 | 176.7 | -58.6 | 83.6 | 0 | 0 | 0 | 108.7 | I18 H20 I38 E102 W103 F105 L114 V129 | I18-W131 HydrophobicContact CG2-CB 4.03Å; I18-W131 HydrophobicContact CG2-CD2 3.88Å; I18-W131 HydrophobicContact CG2-CE3 3.6Å; I18-W131 HydrophobicContact CG2-CG 4.06Å; I18-W131 HydrophobicContact CG2-CZ3 4.33Å; H20-W131 HydrophobicContact CB-CE3 4.15Å; H20-W131 HydrophobicContact CB-CZ3 3.7Å; H20-W131 AromaticContact CD2-CZ3 3.91Å; I38-W131 HydrophobicContact CD1-CH2 3.66Å; I38-W131 HydrophobicContact CD1-CZ3 3.97Å; E102-W131 CarbonylContact C-O 3.51Å; E102-W131 WeakPolarHBondContact CA-O 3.3Å; W103-W131 PolarHBondContact N-O 2.67Å; W103-W131 PolarHBondContact O-N 2.63Å; F105-W131 AromaticContact CD2-CD1 3.94Å; F105-W131 HydrophobicContact CD2-CG 4.36Å; F105-W131 HydrophobicContact CE2-CB 4.25Å; F105-W131 HydrophobicContact CE2-CG 4.25Å; L114-W131 HydrophobicContact CD2-CZ2 4.39Å; L114-W131 HydrophobicContact CG-CZ2 3.93Å; L114-W131 PolarHBondContact O-NE1 3.42Å; V129-W131 PolarHBondContact O-NE1 2.94Å |
| 132 | S | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 172.1 | 163.4 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | L19 V202 S203 G206 | L19-S132 WeakPolarHBondContact CA-O 3.18Å; L19-S132 WeakPolarHBondContact CB-O 3.42Å; L19-S132 PolarHBondContact N-O 3.22Å; L19-S132 PolarHBondContact O-N 2.63Å; S132-V202 VanDerWaalsContact CB-O 3.31Å; S132-V202 WeakPolarHBondContact CB-O 3.43Å; S132-V202 PolarHBondContact OG-O 2.79Å; S132-S203 PolarHBondContact OG-O 3.13Å; S132-G206 PolarHBondContact OG-N 2.94Å; S132-G206 VanDerWaalsContact OG-N 3.15Å |
| 133 | F | 94 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.8 | 177 | 76.1 | -83.7 | 0 | 0 | 0 | 111.8 | I16 G17 W103 L135 Q179 G206 F236 | I16-F133 HydrophobicContact CB-CD2 4.44Å; I16-F133 HydrophobicContact CD1-CB 4.26Å; I16-F133 HydrophobicContact CG2-CD2 4Å; G17-F133 CarbonylContact O-C 3.55Å; G17-F133 WeakPolarHBondContact O-CA 3.47Å; G17-F133 WeakPolarHBondContact O-CB 3.03Å; W103-F133 AromaticContact CD1-CD1 3.96Å; W103-F133 HydrophobicContact CD2-CD1 4.13Å; W103-F133 AromaticContact CE2-CD1 3.76Å; W103-F133 AromaticContact CE2-CE1 3.75Å; W103-F133 HydrophobicContact CG-CD1 4.27Å; W103-F133 HydrophobicContact CZ2-CD1 4.27Å; W103-F133 HydrophobicContact CZ2-CE1 4.07Å; W103-F133 HydrophobicContact CZ2-CZ 4.38Å; W103-F133 AromaticContact NE1-CD1 3.65Å; W103-F133 AromaticContact NE1-CE1 3.44Å; F133-L135 HydrophobicContact CD2-CD2 4.44Å; F133-L135 HydrophobicContact CE2-CD2 3.8Å; F133-L135 HydrophobicContact CE2-CG 4Å; F133-Q179 PolarHBondContact O-NE2 2.83Å; F133-G206 WeakPolarHBondContact CE1-O 3.32Å; F133-G206 WeakPolarHBondContact CZ-O 3.36Å; F133-G206 VanDerWaalsContact O-CA 3.27Å; F133-G206 WeakPolarHBondContact O-CA 3.46Å; F133-F236 HydrophobicContact CE1-CB 4.11Å; F133-F236 HydrophobicContact CE2-CB 4.5Å; F133-F236 HydrophobicContact CE2-CD1 4.04Å; F133-F236 HydrophobicContact CZ-CB 3.51Å; F133-F236 AromaticContact CZ-CD1 3.78Å; F133-F236 HydrophobicContact CZ-CD1 3.78Å; F133-F236 AromaticContact CZ-CG 3.96Å; F133-F236 HydrophobicContact CZ-CG 3.96Å |
| 134 | R | 92.7 | Very high | 94.7 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.1 | 171.3 | -65.4 | -59.6 | -63.5 | -170.3 | -7.1 | 109.3 | I16 G17 F26 L43 Q179 P180 L205 | I16-R134 CarbonylContact C-O 3.57Å; I16-R134 WeakPolarHBondContact CA-O 3.39Å; I16-R134 WeakPolarHBondContact CB-O 3.44Å; G17-R134 PolarHBondContact N-O 2.8Å; G17-R134 PolarHBondContact O-N 2.84Å; F26-R134 HydrophobicContact CE1-CB 4Å; F26-R134 HydrophobicContact CE1-CG 3.7Å; F26-R134 HydrophobicContact CZ-CB 4.34Å; F26-R134 HydrophobicContact CZ-CG 3.74Å; L43-R134 HydrophobicContact CD2-CB 3.73Å; R134-Q179 VanDerWaalsContact CA-OE1 3.32Å; R134-Q179 VanDerWaalsContact NH1-CB 3.3Å; R134-P180 PolarHBondContact NH1-O 2.93Å; R134-P180 PolarHBondContact NH2-O 3.16Å; R134-L205 PolarHBondContact NH1-O 2.87Å |
| 135 | L | 90.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 28 Ų | 28 | 11% | 0.105 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 133.9 | 173.6 | -66 | 172.9 | 0 | 0 | 0 | 109.4 | L14 I16 F133 I177 Q179 V208 F236 | L14-L135 HydrophobicContact CD1-CD2 4.04Å; I16-L135 HydrophobicContact CG2-CD2 4.42Å; F133-L135 HydrophobicContact CD2-CD2 4.44Å; F133-L135 HydrophobicContact CE2-CD2 3.8Å; F133-L135 HydrophobicContact CE2-CG 4Å; L135-I177 HydrophobicContact CD1-CB 4.43Å; L135-I177 HydrophobicContact CD1-CG2 3.49Å; L135-I177 VanDerWaalsContact CD1-CG2 3.49Å; L135-Q179 HydrophobicContact CD1-CG 4.39Å; L135-V208 HydrophobicContact CD1-CG1 4.1Å; L135-F236 HydrophobicContact CD2-CD1 4.33Å; L135-F236 HydrophobicContact CD2-CE1 3.85Å; L135-F236 HydrophobicContact CD2-CZ 4.15Å |
| 136 | A | 87.9 | Confident | 94.6 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | trans | -115.5 | 34.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K15 L43 V48 | K15-A136 HydrophobicContact CB-CB 4.01Å; K15-A136 WeakPolarHBondContact CB-O 3.48Å; K15-A136 WeakPolarHBondContact O-CA 3.42Å; K15-A136 PolarHBondContact O-N 2.87Å; L43-A136 HydrophobicContact CD2-CB 4.05Å; V48-A136 HydrophobicContact CG1-CB 3.98Å; V48-A136 HydrophobicContact CG2-CB 3.88Å | ||
| 137 | T | 86.2 | Confident | 94.6 | Very high | 17 Ų | 17 | 27 Ų | 27 | 10% | 0.104 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -119.2 | 162.4 | -178.5 | 55 | 0 | 0 | 0 | 0 | 109.9 | F10 L14 K15 | F10-T137 HydrophobicContact CD2-CG2 4.23Å; F10-T137 VanDerWaalsContact CE2-CB 3.41Å; F10-T137 HydrophobicContact CE2-CG2 3.71Å; F10-T137 VanDerWaalsContact CE2-OG1 3.26Å; F10-T137 WeakPolarHBondContact CE2-OG1 3.17Å; F10-T137 HydrophobicContact CZ-CG2 4.15Å; L14-T137 HydrophobicContact CD1-CG2 4.03Å; K15-T137 HydrophobicContact CB-CG2 3.99Å |
| 138 | H | 91.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | trans | -55.6 | 132.5 | 173.1 | -164.8 | -97 | 0 | 0 | 0 | 111.2 | Q140 V479 E617 I618 | H138-Q140 PolarHBondContact CE1-OE1 2.78Å; H138-Q140 VanDerWaalsContact CE1-OE1 3.3Å; H138-Q140 PolarHBondContact ND1-N 2.96Å; H138-Q140 PolarHBondContact ND1-O 2.86Å; H138-Q140 VanDerWaalsContact ND1-O 3.1Å; H138-V479 PolarHBondContact NE2-O 2.94Å; H138-E617 WeakPolarHBondContact CB-OE1 3.29Å; H138-I618 PolarHBondContact CE1-OXT 2.75Å | ||
| 139 | P | 93.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.039 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -79.2 | -25.1 | -172.3 | 30.5 | -35.9 | 0 | 0 | 0 | 112.9 | W176 I177 V479 Y504 | P139-W176 HydrophobicContact CB-CE3 4.28Å; P139-W176 HydrophobicContact CG-CE3 4.25Å; P139-W176 HydrophobicContact CG-CZ3 4.17Å; P139-W176 CarbonylContact O-C 3.53Å; P139-W176 WeakPolarHBondContact O-CA 3.23Å; P139-I177 PolarHBondContact O-N 3.21Å; P139-V479 HydrophobicContact CG-CB 4.38Å; P139-V479 HydrophobicContact CG-CG1 4.4Å; P139-V479 HydrophobicContact CG-CG2 4.12Å; P139-Y504 HydrophobicContact CB-CD1 4Å; P139-Y504 HydrophobicContact CB-CE1 3.72Å; P139-Y504 HydrophobicContact CG-CD1 3.8Å; P139-Y504 HydrophobicContact CG-CD2 4.23Å; P139-Y504 HydrophobicContact CG-CE1 4.02Å; P139-Y504 HydrophobicContact CG-CE2 4.43Å; P139-Y504 HydrophobicContact CG-CG 3.92Å |
| 140 | Q | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.8 | 176.7 | -45.7 | -178.6 | -80.5 | 0 | 0 | 108.5 | H138 V174 W176 V283 S477 | H138-Q140 PolarHBondContact CE1-OE1 2.78Å; H138-Q140 VanDerWaalsContact CE1-OE1 3.3Å; H138-Q140 PolarHBondContact ND1-N 2.96Å; H138-Q140 PolarHBondContact ND1-O 2.86Å; H138-Q140 VanDerWaalsContact ND1-O 3.1Å; Q140-V174 HydrophobicContact CB-CG1 3.99Å; Q140-W176 HydrophobicContact CG-CD2 3.9Å; Q140-W176 HydrophobicContact CG-CE3 4.15Å; Q140-W176 HydrophobicContact CG-CG 4.49Å; Q140-W176 HydrophobicContact CG-CH2 3.94Å; Q140-W176 HydrophobicContact CG-CZ2 3.74Å; Q140-W176 HydrophobicContact CG-CZ3 4.16Å; Q140-V283 HydrophobicContact CB-CG2 3.77Å; Q140-V283 VanDerWaalsContact O-CG2 3.26Å; Q140-V283 WeakPolarHBondContact O-CG2 3.35Å; Q140-S477 PolarHBondContact NE2-O 2.76Å |
| 141 | V | 95.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 164.3 | -175.9 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | F10 I143 I175 I177 I280 E281 V283 | F10-V141 HydrophobicContact CE2-CG1 4.35Å; V141-I143 HydrophobicContact CG2-CD1 4.39Å; V141-I143 HydrophobicContact CG2-CG1 3.89Å; V141-I175 WeakPolarHBondContact CG2-O 3.39Å; V141-I175 PolarHBondContact N-O 2.75Å; V141-I175 PolarHBondContact O-N 3.32Å; V141-I177 HydrophobicContact CG1-CD1 4.38Å; V141-I177 HydrophobicContact CG2-CD1 3.66Å; V141-I177 HydrophobicContact CG2-CG1 3.71Å; V141-I280 HydrophobicContact CB-CG2 3.7Å; V141-I280 HydrophobicContact CG1-CG2 3.56Å; V141-I280 HydrophobicContact CG2-CG2 4.01Å; V141-E281 WeakPolarHBondContact CA-O 3.26Å; V141-E281 WeakPolarHBondContact CB-O 3.35Å; V141-V283 VanDerWaalsContact CA-CG2 3.41Å |
| 142 | H | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 142.6 | 155.6 | -68.6 | -42 | 0 | 0 | 0 | 109.8 | Y151 P168 S173 I280 E281 V283 A284 | H142-Y151 HydrophobicContact CB-CD1 4.04Å; H142-Y151 HydrophobicContact CB-CE1 4.15Å; H142-P168 HydrophobicContact CB-CB 4.23Å; H142-P168 HydrophobicContact CB-CG 4.44Å; H142-P168 WeakPolarHBondContact CD2-CG 3.3Å; H142-P168 VanDerWaalsContact CE1-CB 3.45Å; H142-P168 WeakPolarHBondContact CE1-CB 3.36Å; H142-P168 VanDerWaalsContact CG-CB 3.5Å; H142-P168 WeakPolarHBondContact ND1-CB 3.36Å; H142-S173 PolarHBondContact CE1-OG 2.81Å; H142-S173 PolarHBondContact ND1-O 2.99Å; H142-I280 WeakPolarHBondContact O-CA 3.16Å; H142-E281 HydrophobicContact CB-CB 4.33Å; H142-E281 PolarHBondContact N-O 3.44Å; H142-E281 PolarHBondContact O-N 3.27Å; H142-V283 WeakPolarHBondContact NE2-CG1 3.33Å; H142-A284 PolarHBondContact CD2-N 3.05Å; H142-A284 PolarHBondContact NE2-N 2.93Å |
| 143 | I | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.4 | 175.3 | -56.8 | 179.2 | 0 | 0 | 0 | 108.3 | V141 Y151 L152 I175 F210 F278 L279 | V141-I143 HydrophobicContact CG2-CD1 4.39Å; V141-I143 HydrophobicContact CG2-CG1 3.89Å; I143-Y151 WeakPolarHBondContact O-CA 3.25Å; I143-L152 HydrophobicContact CB-CB 4.39Å; I143-L152 HydrophobicContact CB-CD1 3.75Å; I143-L152 HydrophobicContact CB-CG 4.32Å; I143-L152 HydrophobicContact CD1-CD1 4.42Å; I143-L152 HydrophobicContact CG2-CD1 3.46Å; I143-L152 VanDerWaalsContact CG2-CD1 3.46Å; I143-L152 HydrophobicContact CG2-CG 4.23Å; I143-L152 PolarHBondContact O-N 2.89Å; I143-I175 HydrophobicContact CB-CD1 4.23Å; I143-I175 HydrophobicContact CD1-CB 4.27Å; I143-I175 HydrophobicContact CD1-CD1 4.06Å; I143-I175 HydrophobicContact CD1-CG2 3.86Å; I143-I175 HydrophobicContact CG1-CD1 4.2Å; I143-F210 HydrophobicContact CD1-CD1 3.8Å; I143-F210 HydrophobicContact CD1-CE1 3.56Å; I143-F210 HydrophobicContact CD1-CZ 4.09Å; I143-F278 HydrophobicContact CG2-CB 3.94Å; I143-F278 HydrophobicContact CG2-CD1 3.7Å; I143-F278 HydrophobicContact CG2-CG 4.14Å; I143-L279 WeakPolarHBondContact CA-O 3.28Å |
| 144 | R | 97.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 30.4 Ų | 30.4 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123 | 178.7 | -160.9 | 176.7 | 77.9 | 96.9 | 5.1 | 109.8 | Q146 S149 R150 Y151 F278 L279 E281 | R144-Q146 PolarHBondContact O-N 2.56Å; R144-S149 VanDerWaalsContact NH1-CA 3.34Å; R144-S149 VanDerWaalsContact NH1-CB 3.31Å; R144-S149 PolarHBondContact NH1-OG 2.97Å; R144-S149 VanDerWaalsContact NH1-OG 3.12Å; R144-R150 CarbonylContact C-O 3.52Å; R144-Y151 HydrophobicContact CB-CD1 3.87Å; R144-Y151 HydrophobicContact CB-CE1 3.76Å; R144-Y151 HydrophobicContact CB-CG 4.46Å; R144-Y151 VanDerWaalsContact CD-CZ 3.43Å; R144-Y151 HydrophobicContact CG-CD1 4.06Å; R144-Y151 HydrophobicContact CG-CD2 4.19Å; R144-Y151 HydrophobicContact CG-CE1 3.94Å; R144-Y151 HydrophobicContact CG-CE2 4.05Å; R144-Y151 HydrophobicContact CG-CG 4.21Å; R144-F278 CarbonylContact O-C 3.59Å; R144-F278 WeakPolarHBondContact O-CA 3.4Å; R144-L279 HydrophobicContact CB-CB 4.21Å; R144-L279 PolarHBondContact N-O 3.12Å; R144-L279 PolarHBondContact O-N 2.84Å; R144-E281 IonicContact NE-OE1 2.82Å |
| 145 | H | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 113.7 | 170.5 | -177.5 | -98.8 | 0 | 0 | 0 | 109.4 | F147 R148 S149 R150 A163 T258 E275 F278 | H145-F147 PolarHBondContact O-N 3.05Å; H145-R148 VanDerWaalsContact ND1-CB 3.32Å; H145-R148 WeakPolarHBondContact ND1-CB 3.42Å; H145-R148 VanDerWaalsContact ND1-CG 3.31Å; H145-R148 WeakPolarHBondContact ND1-CG 3.42Å; H145-R148 PolarHBondContact ND1-N 2.78Å; H145-R148 VanDerWaalsContact ND1-N 3.12Å; H145-R148 PolarHBondContact O-N 3.29Å; H145-S149 WeakPolarHBondContact O-CA 3.34Å; H145-S149 PolarHBondContact O-N 3.18Å; H145-R150 PolarHBondContact N-O 3.09Å; H145-R150 PolarHBondContact O-N 2.72Å; H145-A163 HydrophobicContact CB-CB 3.83Å; H145-T258 HydrophobicContact CB-CG2 4.26Å; H145-T258 PolarHBondContact CD2-OG1 3.18Å; H145-T258 PolarHBondContact CE1-OG1 3.23Å; H145-T258 PolarHBondContact ND1-OG1 2.84Å; H145-T258 PolarHBondContact NE2-OG1 3.18Å; H145-E275 PolarHBondContact NE2-O 3.16Å; H145-F278 HydrophobicContact CB-CD1 4.15Å; H145-F278 HydrophobicContact CB-CE1 4.09Å; H145-F278 AromaticContact CD2-CE1 3.56Å; H145-F278 AromaticContact CD2-CZ 3.76Å |
| 146 | Q | 94.2 | Very high | 95.1 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -49 | -166.9 | -177.6 | 64.6 | 6.4 | 0 | 0 | 111.7 | R144 R148 S149 L277 L279 | R144-Q146 PolarHBondContact O-N 2.56Å; Q146-R148 PolarHBondContact O-N 3.14Å; Q146-S149 PolarHBondContact O-N 3.33Å; Q146-S149 VanDerWaalsContact O-N 3.15Å; Q146-S149 PolarHBondContact O-OG 2.82Å; Q146-L277 HydrophobicContact CB-CB 4.25Å; Q146-L277 VanDerWaalsContact CB-O 3.25Å; Q146-L277 WeakPolarHBondContact CB-O 3.27Å; Q146-L277 PolarHBondContact N-O 3.23Å; Q146-L279 VanDerWaalsContact OE1-CG 3.26Å |
| 147 | F | 94.7 | Very high | 95.4 | Very high | 119 Ų | 119 | 39.4 Ų | 39.4 | 52% | 0.522 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.5 | -176.3 | 179.4 | -102.1 | 0 | 0 | 0 | 113.2 | H145 S149 K274 E275 | H145-F147 PolarHBondContact O-N 3.05Å; F147-S149 VanDerWaalsContact C-N 3.31Å; F147-K274 WeakPolarHBondContact CB-O 3.49Å; F147-K274 HydrophobicContact CD2-CB 4.18Å; F147-E275 HydrophobicContact CD1-CG 3.96Å; F147-E275 HydrophobicContact CE1-CG 4.26Å; F147-E275 HydrophobicContact CG-CG 4.17Å |
| 148 | R | 95.8 | Very high | 95.8 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 29% | 0.287 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -19.6 | 176.5 | -72.5 | 179.2 | -175.5 | -122 | 0.3 | 112.3 | H145 Q146 R150 T258 G260 G262 | H145-R148 VanDerWaalsContact ND1-CB 3.32Å; H145-R148 WeakPolarHBondContact ND1-CB 3.42Å; H145-R148 VanDerWaalsContact ND1-CG 3.31Å; H145-R148 WeakPolarHBondContact ND1-CG 3.42Å; H145-R148 PolarHBondContact ND1-N 2.78Å; H145-R148 VanDerWaalsContact ND1-N 3.12Å; H145-R148 PolarHBondContact O-N 3.29Å; Q146-R148 PolarHBondContact O-N 3.14Å; R148-R150 VanDerWaalsContact C-N 3.25Å; R148-R150 HydrophobicContact CB-CB 4.14Å; R148-R150 HydrophobicContact CB-CG 4.09Å; R148-R150 PolarHBondContact O-N 3.43Å; R148-T258 VanDerWaalsContact CD-OG1 3.26Å; R148-T258 WeakPolarHBondContact CD-OG1 3.43Å; R148-T258 PolarHBondContact NE-OG1 2.89Å; R148-T258 PolarHBondContact NH2-O 2.92Å; R148-G260 PolarHBondContact NH1-O 2.92Å; R148-G260 PolarHBondContact NH2-O 3.3Å; R148-G262 VanDerWaalsContact NH1-N 3.15Å |
| 149 | S | 96.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 43.7 Ų | 43.7 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49.9 | -166 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | R144 H145 Q146 F147 | R144-S149 VanDerWaalsContact NH1-CA 3.34Å; R144-S149 VanDerWaalsContact NH1-CB 3.31Å; R144-S149 PolarHBondContact NH1-OG 2.97Å; R144-S149 VanDerWaalsContact NH1-OG 3.12Å; H145-S149 WeakPolarHBondContact O-CA 3.34Å; H145-S149 PolarHBondContact O-N 3.18Å; Q146-S149 PolarHBondContact O-N 3.33Å; Q146-S149 VanDerWaalsContact O-N 3.15Å; Q146-S149 PolarHBondContact O-OG 2.82Å; F147-S149 VanDerWaalsContact C-N 3.31Å |
| 150 | R | 97.7 | Very high | 96 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142 | 179.7 | -66.5 | -61.4 | 179.9 | -91.1 | 0.2 | 111.2 | R144 H145 R148 A163 D164 Q165 | R144-R150 CarbonylContact C-O 3.52Å; H145-R150 PolarHBondContact N-O 3.09Å; H145-R150 PolarHBondContact O-N 2.72Å; R148-R150 VanDerWaalsContact C-N 3.25Å; R148-R150 HydrophobicContact CB-CB 4.14Å; R148-R150 HydrophobicContact CB-CG 4.09Å; R148-R150 PolarHBondContact O-N 3.43Å; R150-A163 HydrophobicContact CB-CB 4.25Å; R150-A163 WeakPolarHBondContact CB-O 3.29Å; R150-D164 WeakPolarHBondContact CD-O 3.33Å; R150-Q165 CarbonylContact C-O 3.58Å; R150-Q165 WeakPolarHBondContact CA-O 3.46Å; R150-Q165 VanDerWaalsContact CD-O 3.28Å; R150-Q165 WeakPolarHBondContact CD-O 3.44Å |
| 151 | Y | 97.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 45 Ų | 45 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.9 | 176.6 | -68.7 | -88.5 | 0 | 0 | 0 | 111.1 | H142 I143 R144 A163 D164 Q165 P166 P168 E281 | H142-Y151 HydrophobicContact CB-CD1 4.04Å; H142-Y151 HydrophobicContact CB-CE1 4.15Å; I143-Y151 WeakPolarHBondContact O-CA 3.25Å; R144-Y151 HydrophobicContact CB-CD1 3.87Å; R144-Y151 HydrophobicContact CB-CE1 3.76Å; R144-Y151 HydrophobicContact CB-CG 4.46Å; R144-Y151 VanDerWaalsContact CD-CZ 3.43Å; R144-Y151 HydrophobicContact CG-CD1 4.06Å; R144-Y151 HydrophobicContact CG-CD2 4.19Å; R144-Y151 HydrophobicContact CG-CE1 3.94Å; R144-Y151 HydrophobicContact CG-CE2 4.05Å; R144-Y151 HydrophobicContact CG-CG 4.21Å; Y151-A163 WeakPolarHBondContact O-CA 3.4Å; Y151-D164 PolarHBondContact O-N 2.9Å; Y151-Q165 PolarHBondContact N-O 2.79Å; Y151-Q165 PolarHBondContact O-N 2.85Å; Y151-P166 WeakPolarHBondContact CD2-O 3.09Å; Y151-P166 WeakPolarHBondContact CE2-O 3.48Å; Y151-P168 HydrophobicContact CD1-CB 3.75Å; Y151-P168 HydrophobicContact CD1-CG 3.9Å; Y151-P168 HydrophobicContact CD2-CB 4.43Å; Y151-P168 HydrophobicContact CD2-CG 4.38Å; Y151-P168 HydrophobicContact CE1-CB 4.25Å; Y151-P168 HydrophobicContact CE1-CG 3.87Å; Y151-P168 HydrophobicContact CE2-CG 4.38Å; Y151-P168 HydrophobicContact CG-CB 3.83Å; Y151-P168 HydrophobicContact CG-CG 4.13Å; Y151-E281 WeakPolarHBondContact CE1-OE2 3.21Å; Y151-E281 PolarHBondContact OH-OE1 2.97Å; Y151-E281 PolarHBondContact OH-OE2 3.04Å |
| 152 | L | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.9 | 169.5 | -68.6 | 176.9 | 0 | 0 | 0 | 109.7 | I143 L161 R162 A163 I175 T258 A264 F278 | I143-L152 HydrophobicContact CB-CB 4.39Å; I143-L152 HydrophobicContact CB-CD1 3.75Å; I143-L152 HydrophobicContact CB-CG 4.32Å; I143-L152 HydrophobicContact CD1-CD1 4.42Å; I143-L152 HydrophobicContact CG2-CD1 3.46Å; I143-L152 VanDerWaalsContact CG2-CD1 3.46Å; I143-L152 HydrophobicContact CG2-CG 4.23Å; I143-L152 PolarHBondContact O-N 2.89Å; L152-L161 HydrophobicContact CB-CD1 4.06Å; L152-L161 HydrophobicContact CB-CG 4.29Å; L152-L161 HydrophobicContact CD1-CD2 4.06Å; L152-L161 HydrophobicContact CD2-CD2 4.32Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; L152-R162 CarbonylContact C-O 3.54Å; L152-R162 WeakPolarHBondContact CA-O 3.41Å; L152-A163 HydrophobicContact CD2-CB 3.65Å; L152-A163 HydrophobicContact CG-CB 4.42Å; L152-I175 HydrophobicContact CB-CD1 3.52Å; L152-I175 HydrophobicContact CD1-CD1 4.24Å; L152-T258 HydrophobicContact CD2-CG2 4.43Å; L152-A264 HydrophobicContact CD2-CB 3.95Å; L152-F278 HydrophobicContact CD1-CD1 4.35Å; L152-F278 HydrophobicContact CD1-CE1 4.17Å |
| 153 | R | 97.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155 | 166.2 | 61.3 | 160.1 | -174.1 | 118.8 | 2.7 | 111.4 | L155 L161 R162 D164 Q165 E172 | R153-L155 VanDerWaalsContact CZ-CD2 3.44Å; R153-L155 VanDerWaalsContact NH2-CD2 3.25Å; R153-L161 WeakPolarHBondContact O-CA 3.42Å; R153-L161 VanDerWaalsContact O-CD1 3.29Å; R153-L161 WeakPolarHBondContact O-CD1 3.32Å; R153-R162 PolarHBondContact N-O 2.83Å; R153-R162 PolarHBondContact O-N 3.42Å; R153-D164 IonicContact CZ-OD1 3.19Å; R153-D164 IonicContact CZ-OD2 3.51Å; R153-D164 IonicContact NE-OD1 3.8Å; R153-D164 PolarHBondContact NE-OD1 2.89Å; R153-D164 IonicContact NE-OD2 2.89Å; R153-D164 IonicContact NH2-OD1 2.67Å; R153-D164 IonicContact NH2-OD2 3.21Å; R153-D164 PolarHBondContact NH2-OD2 3.44Å; R153-Q165 VanDerWaalsContact CD-CG 3.46Å; R153-Q165 HydrophobicContact CG-CG 3.84Å; R153-Q165 VanDerWaalsContact NE-NE2 3.17Å; R153-E172 CarbonylContact C-O 3.56Å; R153-E172 VanDerWaalsContact CA-O 3.29Å; R153-E172 WeakPolarHBondContact CA-O 3.35Å; R153-E172 HydrophobicContact CB-CG 3.96Å |
| 154 | L | 97.5 | Very high | 96.3 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.5 | 167.2 | -175.3 | 67.6 | 0 | 0 | 0 | 109.6 | E172 M212 N214 M224 | L154-E172 HydrophobicContact CB-CB 4.4Å; L154-E172 PolarHBondContact N-O 2.56Å; L154-E172 WeakPolarHBondContact O-CB 3.32Å; L154-M212 HydrophobicContact CB-SD 4.31Å; L154-M212 HydrophobicContact CD1-CB 4.46Å; L154-M212 HydrophobicContact CD1-CG 4.06Å; L154-M212 HydrophobicContact CD1-SD 4.42Å; L154-M212 HydrophobicContact CD2-CB 3.98Å; L154-M212 HydrophobicContact CD2-CG 4.48Å; L154-N214 HydrophobicContact CD2-CB 4.29Å; L154-N214 VanDerWaalsContact CD2-ND2 3.32Å; L154-N214 WeakPolarHBondContact CD2-ND2 3.45Å; L154-M224 HydrophobicContact CD1-CE 3.96Å; L154-M224 HydrophobicContact CD1-CG 4.41Å; L154-M224 HydrophobicContact CD1-SD 4.32Å |
| 155 | L | 96.5 | Very high | 96.2 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | trans | -71 | 155.6 | 170.7 | -62.4 | -168.4 | 0 | 0 | 0 | 111.3 | R153 D157 G158 E160 R162 | R153-L155 VanDerWaalsContact CZ-CD2 3.44Å; R153-L155 VanDerWaalsContact NH2-CD2 3.25Å; L155-D157 WeakPolarHBondContact CB-OD1 3.44Å; L155-D157 PolarHBondContact O-N 2.86Å; L155-D157 VanDerWaalsContact O-N 3.12Å; L155-G158 WeakPolarHBondContact O-CA 3.21Å; L155-G158 PolarHBondContact O-N 2.94Å; L155-E160 HydrophobicContact CD1-CB 3.77Å; L155-E160 HydrophobicContact CD1-CG 4.34Å; L155-E160 HydrophobicContact CG-CB 4.06Å; L155-E160 PolarHBondContact N-O 3.43Å; L155-R162 HydrophobicContact CD2-CB 4.11Å | ||
| 156 | N | 92.7 | Very high | 96 | Very high | 149 Ų | 149 | 51.5 Ų | 51.5 | 80% | 0.797 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.4 | -173.6 | -61.2 | 11.7 | 0 | 0 | 0 | 113.5 | G158 | N156-G158 PolarHBondContact O-N 2.79Š|
| 157 | D | 94.6 | Very high | 96 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 52% | 0.519 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13 | 173.6 | 60.8 | 12.9 | 0 | 0 | 0 | 113.4 | L155 L159 | L155-D157 WeakPolarHBondContact CB-OD1 3.44Å; L155-D157 PolarHBondContact O-N 2.86Å; L155-D157 VanDerWaalsContact O-N 3.12Å; D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 HydrophobicContact CB-CD1 4.24Å; D157-L159 HydrophobicContact CB-CG 4.15Å; D157-L159 PolarHBondContact O-N 3.02Å; D157-L159 PolarHBondContact OD1-N 3.08Å |
| 158 | G | 94.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 68 | 25.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L155 N156 K216 | L155-G158 WeakPolarHBondContact O-CA 3.21Å; L155-G158 PolarHBondContact O-N 2.94Å; N156-G158 PolarHBondContact O-N 2.79Å; G158-K216 PolarHBondContact O-NZ 2.87Å; G158-K216 VanDerWaalsContact O-NZ 3.09Å |
| 159 | L | 94.2 | Very high | 95.8 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 56% | 0.555 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -109.3 | -25.6 | -176.3 | -60 | -179.9 | 0 | 0 | 0 | 113.9 | D157 M224 | D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 HydrophobicContact CB-CD1 4.24Å; D157-L159 HydrophobicContact CB-CG 4.15Å; D157-L159 PolarHBondContact O-N 3.02Å; D157-L159 PolarHBondContact OD1-N 3.08Å; L159-M224 WeakPolarHBondContact O-CG 3.47Å |
| 160 | E | 95.8 | Very high | 95.7 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 17% | 0.173 | 20% | 0.201 | C | C | . | . | trans | -136.1 | 137.5 | -171.3 | -166 | -167.7 | 145.5 | 0 | 0 | 111.8 | L155 R162 T263 | L155-E160 HydrophobicContact CD1-CB 3.77Å; L155-E160 HydrophobicContact CD1-CG 4.34Å; L155-E160 HydrophobicContact CG-CB 4.06Å; L155-E160 PolarHBondContact N-O 3.43Å; E160-R162 VanDerWaalsContact CD-NH2 3.27Å; E160-R162 IonicContact OE1-CZ 3.86Å; E160-R162 IonicContact OE1-NE 3.42Å; E160-R162 PolarHBondContact OE1-NE 3.37Å; E160-R162 IonicContact OE1-NH2 3.89Å; E160-R162 PolarHBondContact OE1-NH2 3.44Å; E160-R162 VanDerWaalsContact OE1-NH2 3.09Å; E160-R162 IonicContact OE2-CZ 2.86Å; E160-R162 IonicContact OE2-NE 3.73Å; E160-R162 IonicContact OE2-NH2 3.65Å; E160-R162 PolarHBondContact OE2-NH2 2.92Å; E160-T263 HydrophobicContact CG-CG2 3.74Å; E160-T263 VanDerWaalsContact OE1-CB 3.29Å; E160-T263 WeakPolarHBondContact OE1-CB 3.49Å; E160-T263 WeakPolarHBondContact OE1-CG2 3.06Å; E160-T263 PolarHBondContact OE1-OG1 2.9Å | ||
| 161 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.8 | 167.4 | -176.2 | 68.5 | 0 | 0 | 0 | 109.6 | L152 R153 I175 M212 L218 M224 A264 | L152-L161 HydrophobicContact CB-CD1 4.06Å; L152-L161 HydrophobicContact CB-CG 4.29Å; L152-L161 HydrophobicContact CD1-CD2 4.06Å; L152-L161 HydrophobicContact CD2-CD2 4.32Å; L152-L161 HydrophobicContact CD2-CG 4.11Å; R153-L161 WeakPolarHBondContact O-CA 3.42Å; R153-L161 VanDerWaalsContact O-CD1 3.29Å; R153-L161 WeakPolarHBondContact O-CD1 3.32Å; L161-I175 HydrophobicContact CD1-CD1 4Å; L161-I175 HydrophobicContact CD2-CD1 4.49Å; L161-M212 HydrophobicContact CD1-CE 4.23Å; L161-M212 HydrophobicContact CD1-SD 3.53Å; L161-M212 VanDerWaalsContact CD1-SD 3.53Å; L161-M212 HydrophobicContact CD2-CE 4.12Å; L161-M212 HydrophobicContact CD2-SD 4.35Å; L161-M212 HydrophobicContact CG-SD 4.37Å; L161-L218 HydrophobicContact CB-CD1 4.2Å; L161-L218 HydrophobicContact CD2-CD1 4.4Å; L161-L218 HydrophobicContact CD2-CD2 3.85Å; L161-M224 HydrophobicContact CB-CE 3.42Å; L161-M224 VanDerWaalsContact CB-CE 3.42Å; L161-A264 HydrophobicContact CB-CB 4.2Å; L161-A264 HydrophobicContact CD2-CB 3.92Å; L161-A264 HydrophobicContact CG-CB 4.1Å; L161-A264 PolarHBondContact O-N 2.89Å |
| 162 | R | 97.7 | Very high | 95.3 | Very high | 55 Ų | 55 | 39 Ų | 39 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.2 | -172.4 | -164 | 178 | -75.1 | 174.4 | -0.5 | 112.8 | L152 R153 L155 E160 D164 G262 | L152-R162 CarbonylContact C-O 3.54Å; L152-R162 WeakPolarHBondContact CA-O 3.41Å; R153-R162 PolarHBondContact N-O 2.83Å; R153-R162 PolarHBondContact O-N 3.42Å; L155-R162 HydrophobicContact CD2-CB 4.11Å; E160-R162 VanDerWaalsContact CD-NH2 3.27Å; E160-R162 IonicContact OE1-CZ 3.86Å; E160-R162 IonicContact OE1-NE 3.42Å; E160-R162 PolarHBondContact OE1-NE 3.37Å; E160-R162 IonicContact OE1-NH2 3.89Å; E160-R162 PolarHBondContact OE1-NH2 3.44Å; E160-R162 VanDerWaalsContact OE1-NH2 3.09Å; E160-R162 IonicContact OE2-CZ 2.86Å; E160-R162 IonicContact OE2-NE 3.73Å; E160-R162 IonicContact OE2-NH2 3.65Å; E160-R162 PolarHBondContact OE2-NH2 2.92Å; R162-D164 VanDerWaalsContact CD-OD2 3.3Å; R162-D164 WeakPolarHBondContact CD-OD2 3.07Å; R162-D164 HydrophobicContact CG-CB 3.97Å; R162-D164 PolarHBondContact O-N 3.33Å; R162-G262 CarbonylContact C-O 3.44Å; R162-G262 WeakPolarHBondContact CA-O 3.42Å |
| 163 | A | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 78 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H145 R150 Y151 L152 T258 G262 | H145-A163 HydrophobicContact CB-CB 3.83Å; R150-A163 HydrophobicContact CB-CB 4.25Å; R150-A163 WeakPolarHBondContact CB-O 3.29Å; Y151-A163 WeakPolarHBondContact O-CA 3.4Å; L152-A163 HydrophobicContact CD2-CB 3.65Å; L152-A163 HydrophobicContact CG-CB 4.42Å; A163-T258 HydrophobicContact CB-CG2 3.6Å; A163-G262 PolarHBondContact N-O 2.83Å |
| 164 | D | 96.7 | Very high | 95.1 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -7.5 | -177 | 67.6 | 0.4 | 0 | 0 | 0 | 114.5 | R150 Y151 R153 R162 | R150-D164 WeakPolarHBondContact CD-O 3.33Å; Y151-D164 PolarHBondContact O-N 2.9Å; R153-D164 IonicContact CZ-OD1 3.19Å; R153-D164 IonicContact CZ-OD2 3.51Å; R153-D164 IonicContact NE-OD1 3.8Å; R153-D164 PolarHBondContact NE-OD1 2.89Å; R153-D164 IonicContact NE-OD2 2.89Å; R153-D164 IonicContact NH2-OD1 2.67Å; R153-D164 IonicContact NH2-OD2 3.21Å; R153-D164 PolarHBondContact NH2-OD2 3.44Å; R162-D164 VanDerWaalsContact CD-OD2 3.3Å; R162-D164 WeakPolarHBondContact CD-OD2 3.07Å; R162-D164 HydrophobicContact CG-CB 3.97Å; R162-D164 PolarHBondContact O-N 3.33Å |
| 165 | Q | 94.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 37.1 Ų | 37.1 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 133.4 | -174.6 | -62.5 | -53.5 | -55.2 | 0 | 0 | 113.4 | R150 Y151 R153 Y167 R388 | R150-Q165 CarbonylContact C-O 3.58Å; R150-Q165 WeakPolarHBondContact CA-O 3.46Å; R150-Q165 VanDerWaalsContact CD-O 3.28Å; R150-Q165 WeakPolarHBondContact CD-O 3.44Å; Y151-Q165 PolarHBondContact N-O 2.79Å; Y151-Q165 PolarHBondContact O-N 2.85Å; R153-Q165 VanDerWaalsContact CD-CG 3.46Å; R153-Q165 HydrophobicContact CG-CG 3.84Å; R153-Q165 VanDerWaalsContact NE-NE2 3.17Å; Q165-Y167 VanDerWaalsContact C-N 3.3Å; Q165-Y167 WeakPolarHBondContact CB-O 3.02Å; Q165-R388 VanDerWaalsContact OE1-NH1 3.11Å |
| 166 | P | 93.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -72 | -26.4 | 173.6 | 29.2 | -33.7 | 0 | 0 | 0 | 112.7 | Y151 | Y151-P166 WeakPolarHBondContact CD2-O 3.09Å; Y151-P166 WeakPolarHBondContact CE2-O 3.48Å |
| 167 | Y | 92.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -131.8 | 142.3 | 176.8 | -58.9 | -75.8 | 0 | 0 | 0 | 109 | Q165 W169 | Q165-Y167 VanDerWaalsContact C-N 3.3Å; Q165-Y167 WeakPolarHBondContact CB-O 3.02Å; Y167-W169 PolarHBondContact O-N 2.77Å |
| 168 | P | 94.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | trans | -76.7 | 100.3 | 178.8 | 31.9 | -29.6 | 0 | 0 | 0 | 108.6 | H142 Y151 A284 Q286 | H142-P168 HydrophobicContact CB-CB 4.23Å; H142-P168 HydrophobicContact CB-CG 4.44Å; H142-P168 WeakPolarHBondContact CD2-CG 3.3Å; H142-P168 VanDerWaalsContact CE1-CB 3.45Å; H142-P168 WeakPolarHBondContact CE1-CB 3.36Å; H142-P168 VanDerWaalsContact CG-CB 3.5Å; H142-P168 WeakPolarHBondContact ND1-CB 3.36Å; Y151-P168 HydrophobicContact CD1-CB 3.75Å; Y151-P168 HydrophobicContact CD1-CG 3.9Å; Y151-P168 HydrophobicContact CD2-CB 4.43Å; Y151-P168 HydrophobicContact CD2-CG 4.38Å; Y151-P168 HydrophobicContact CE1-CB 4.25Å; Y151-P168 HydrophobicContact CE1-CG 3.87Å; Y151-P168 HydrophobicContact CE2-CG 4.38Å; Y151-P168 HydrophobicContact CG-CB 3.83Å; Y151-P168 HydrophobicContact CG-CG 4.13Å; P168-A284 HydrophobicContact CG-CB 4.44Å; P168-Q286 PolarHBondContact O-NE2 3.23Å | ||
| 169 | W | 93.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.023 | 14% | 0.135 | C | C | . | . | trans | -114.3 | 146 | -174 | -152.7 | -91.3 | 0 | 0 | 0 | 111.3 | Y167 E172 S173 I317 Q319 R386 S387 R388 | Y167-W169 PolarHBondContact O-N 2.77Å; W169-E172 VanDerWaalsContact O-OE1 3.12Å; W169-S173 PolarHBondContact N-OG 2.64Å; W169-S173 WeakPolarHBondContact O-CB 3.36Å; W169-S173 PolarHBondContact O-OG 3.47Å; W169-I317 HydrophobicContact CH2-CG2 4.35Å; W169-I317 WeakPolarHBondContact CH2-O 3.28Å; W169-I317 HydrophobicContact CZ2-CB 3.83Å; W169-I317 HydrophobicContact CZ2-CG2 3.58Å; W169-I317 WeakPolarHBondContact CZ2-O 3.48Å; W169-Q319 HydrophobicContact CZ3-CB 4.1Å; W169-R386 WeakPolarHBondContact CH2-O 3.17Å; W169-S387 VanDerWaalsContact CH2-C 3.46Å; W169-R388 HydrophobicContact CD2-CB 4.37Å; W169-R388 VanDerWaalsContact CD2-CD 3.49Å; W169-R388 VanDerWaalsContact CG-CD 3.45Å; W169-R388 HydrophobicContact CH2-CB 4.13Å; W169-R388 HydrophobicContact CZ2-CB 3.78Å | ||
| 170 | G | 92.7 | Very high | 95 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 68.7 | 168.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E172 S173 Q286 | G170-E172 VanDerWaalsContact C-OE2 3.24Å; G170-E172 VanDerWaalsContact CA-OE2 3.27Å; G170-E172 WeakPolarHBondContact CA-OE2 3.42Å; G170-E172 PolarHBondContact O-N 3.33Å; G170-S173 PolarHBondContact O-N 3.41Å; G170-S173 PolarHBondContact O-OG 2.8Å; G170-Q286 VanDerWaalsContact N-NE2 3.13Å |
| 171 | P | 93.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 29% | 0.292 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -57.1 | -31.4 | 175.6 | -22.3 | 32.7 | 0 | 0 | 0 | 113 | S173 V174 P213 T476 | P171-S173 PolarHBondContact O-N 3.3Å; P171-S173 VanDerWaalsContact O-N 3.11Å; P171-V174 WeakPolarHBondContact O-CB 3.47Å; P171-V174 PolarHBondContact O-N 2.93Å; P171-P213 WeakPolarHBondContact O-CG 3.33Å; P171-T476 HydrophobicContact CB-CG2 4.33Å |
| 172 | E | 94.9 | Very high | 92.8 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 23% | 0.234 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.3 | -18 | -178.8 | 70.4 | -83.6 | -166.2 | 0 | 0 | 114.6 | R153 L154 W169 G170 | R153-E172 CarbonylContact C-O 3.56Å; R153-E172 VanDerWaalsContact CA-O 3.29Å; R153-E172 WeakPolarHBondContact CA-O 3.35Å; R153-E172 HydrophobicContact CB-CG 3.96Å; L154-E172 HydrophobicContact CB-CB 4.4Å; L154-E172 PolarHBondContact N-O 2.56Å; L154-E172 WeakPolarHBondContact O-CB 3.32Å; W169-E172 VanDerWaalsContact O-OE1 3.12Å; G170-E172 VanDerWaalsContact C-OE2 3.24Å; G170-E172 VanDerWaalsContact CA-OE2 3.27Å; G170-E172 WeakPolarHBondContact CA-OE2 3.42Å; G170-E172 PolarHBondContact O-N 3.33Å |
| 173 | S | 96 | Very high | 90.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -89.2 | -6.8 | 175.9 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | H142 W169 G170 P171 I175 | H142-S173 PolarHBondContact CE1-OG 2.81Å; H142-S173 PolarHBondContact ND1-O 2.99Å; W169-S173 PolarHBondContact N-OG 2.64Å; W169-S173 WeakPolarHBondContact O-CB 3.36Å; W169-S173 PolarHBondContact O-OG 3.47Å; G170-S173 PolarHBondContact O-N 3.41Å; G170-S173 PolarHBondContact O-OG 2.8Å; P171-S173 PolarHBondContact O-N 3.3Å; P171-S173 VanDerWaalsContact O-N 3.11Å; S173-I175 PolarHBondContact O-N 3.26Å |
| 174 | V | 96 | Very high | 87.7 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | trans | -87.2 | 106.9 | 179.4 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | Q140 P171 P213 V283 N474 | Q140-V174 HydrophobicContact CB-CG1 3.99Å; P171-V174 WeakPolarHBondContact O-CB 3.47Å; P171-V174 PolarHBondContact O-N 2.93Å; V174-P213 VanDerWaalsContact O-CD 3.31Å; V174-P213 WeakPolarHBondContact O-CD 3.38Å; V174-P213 VanDerWaalsContact O-CG 3.23Å; V174-P213 WeakPolarHBondContact O-CG 3.21Å; V174-V283 HydrophobicContact CB-CG1 4.42Å; V174-V283 HydrophobicContact CG1-CG1 4.14Å; V174-V283 HydrophobicContact CG1-CG2 4.01Å; V174-V283 HydrophobicContact CG2-CG1 3.63Å; V174-N474 WeakPolarHBondContact CG2-O 3.33Å | ||
| 175 | I | 96.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.2 | -178.9 | -62.1 | 170.2 | 0 | 0 | 0 | 108.7 | V141 I143 L152 L161 S173 F210 M212 | V141-I175 WeakPolarHBondContact CG2-O 3.39Å; V141-I175 PolarHBondContact N-O 2.75Å; V141-I175 PolarHBondContact O-N 3.32Å; I143-I175 HydrophobicContact CB-CD1 4.23Å; I143-I175 HydrophobicContact CD1-CB 4.27Å; I143-I175 HydrophobicContact CD1-CD1 4.06Å; I143-I175 HydrophobicContact CD1-CG2 3.86Å; I143-I175 HydrophobicContact CG1-CD1 4.2Å; L152-I175 HydrophobicContact CB-CD1 3.52Å; L152-I175 HydrophobicContact CD1-CD1 4.24Å; L161-I175 HydrophobicContact CD1-CD1 4Å; L161-I175 HydrophobicContact CD2-CD1 4.49Å; S173-I175 PolarHBondContact O-N 3.26Å; I175-F210 HydrophobicContact CG2-CB 3.95Å; I175-F210 HydrophobicContact CG2-CD1 4.06Å; I175-F210 HydrophobicContact CG2-CG 4.28Å; I175-M212 HydrophobicContact CB-CE 4.45Å; I175-M212 HydrophobicContact CD1-CE 4.48Å; I175-M212 HydrophobicContact CG1-CE 4.07Å; I175-M212 HydrophobicContact CG1-SD 4.44Å; I175-M212 HydrophobicContact CG2-CE 3.74Å |
| 176 | W | 96.1 | Very high | 82.3 | Confident | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.4 | 173.1 | -66.1 | 64.4 | 0 | 0 | 0 | 109.2 | P139 Q140 E178 F210 R211 S477 V479 Y504 P506 | P139-W176 HydrophobicContact CB-CE3 4.28Å; P139-W176 HydrophobicContact CG-CE3 4.25Å; P139-W176 HydrophobicContact CG-CZ3 4.17Å; P139-W176 CarbonylContact O-C 3.53Å; P139-W176 WeakPolarHBondContact O-CA 3.23Å; Q140-W176 HydrophobicContact CG-CD2 3.9Å; Q140-W176 HydrophobicContact CG-CE3 4.15Å; Q140-W176 HydrophobicContact CG-CG 4.49Å; Q140-W176 HydrophobicContact CG-CH2 3.94Å; Q140-W176 HydrophobicContact CG-CZ2 3.74Å; Q140-W176 HydrophobicContact CG-CZ3 4.16Å; W176-E178 HydrophobicContact CB-CG 4.07Å; W176-E178 PolarHBondContact O-N 3.48Å; W176-F210 WeakPolarHBondContact O-CA 3.46Å; W176-R211 HydrophobicContact CB-CB 3.97Å; W176-R211 WeakPolarHBondContact CB-O 3.4Å; W176-R211 PolarHBondContact N-O 3.47Å; W176-R211 PolarHBondContact O-N 3.07Å; W176-S477 WeakPolarHBondContact CZ2-OG 3.44Å; W176-V479 HydrophobicContact CH2-CG2 3.5Å; W176-V479 HydrophobicContact CZ3-CG2 3.61Å; W176-Y504 HydrophobicContact CE3-CD2 4.48Å; W176-Y504 AromaticContact CE3-CE2 3.83Å; W176-Y504 HydrophobicContact CE3-CE2 3.83Å; W176-Y504 AromaticContact CZ3-CD2 3.81Å; W176-Y504 HydrophobicContact CZ3-CD2 3.81Å; W176-Y504 AromaticContact CZ3-CE2 3.56Å; W176-Y504 HydrophobicContact CZ3-CE2 3.56Å; W176-P506 HydrophobicContact CH2-CB 3.63Å; W176-P506 HydrophobicContact CZ2-CB 4.35Å; W176-P506 HydrophobicContact CZ3-CB 4.3Å |
| 177 | I | 96.2 | Very high | 79.7 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 99.6 | 166.5 | -60.9 | -179.4 | 0 | 0 | 0 | 107.1 | L135 P139 V141 V208 F210 F236 I280 | L135-I177 HydrophobicContact CD1-CB 4.43Å; L135-I177 HydrophobicContact CD1-CG2 3.49Å; L135-I177 VanDerWaalsContact CD1-CG2 3.49Å; P139-I177 PolarHBondContact O-N 3.21Å; V141-I177 HydrophobicContact CG1-CD1 4.38Å; V141-I177 HydrophobicContact CG2-CD1 3.66Å; V141-I177 HydrophobicContact CG2-CG1 3.71Å; I177-V208 HydrophobicContact CG2-CB 3.79Å; I177-V208 HydrophobicContact CG2-CG1 3.63Å; I177-V208 HydrophobicContact CG2-CG2 4.48Å; I177-F210 HydrophobicContact CD1-CE1 4.48Å; I177-F210 HydrophobicContact CG1-CD1 4.16Å; I177-F210 HydrophobicContact CG1-CE1 4.1Å; I177-F236 HydrophobicContact CD1-CE2 4.23Å; I177-I280 HydrophobicContact CD1-CD1 3.65Å; I177-I280 HydrophobicContact CD1-CG1 4.28Å; I177-I280 HydrophobicContact CD1-CG2 4.17Å |
| 178 | E | 94.2 | Very high | 77.6 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 149.1 | 178.2 | -54.5 | -152 | 149.5 | 0 | 0 | 110.7 | W176 V208 S209 R211 Y217 M228 Y504 | W176-E178 HydrophobicContact CB-CG 4.07Å; W176-E178 PolarHBondContact O-N 3.48Å; E178-V208 CarbonylContact O-C 3.49Å; E178-V208 VanDerWaalsContact O-CA 3.28Å; E178-V208 WeakPolarHBondContact O-CA 3.45Å; E178-S209 PolarHBondContact N-O 3.12Å; E178-S209 PolarHBondContact O-N 2.84Å; E178-R211 HydrophobicContact CG-CB 3.94Å; E178-R211 WeakPolarHBondContact OE1-CD 3.39Å; E178-R211 IonicContact OE1-CZ 2.63Å; E178-R211 IonicContact OE1-NE 3.6Å; E178-R211 IonicContact OE1-NH1 2.86Å; E178-R211 PolarHBondContact OE1-NH1 2.85Å; E178-R211 WeakPolarHBondContact OE2-CD 3.39Å; E178-Y217 PolarHBondContact OE2-OH 2.92Å; E178-M228 HydrophobicContact CB-CE 3.71Å; E178-M228 WeakPolarHBondContact OE2-CE 3.26Å; E178-Y504 VanDerWaalsContact CD-OH 3.24Å; E178-Y504 WeakPolarHBondContact CG-OH 3.37Å; E178-Y504 PolarHBondContact OE1-OH 2.82Å |
| 179 | Q | 92.6 | Very high | 75.1 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | trans | -118.4 | 146.4 | 172 | -64.4 | -172.7 | -65.6 | 0 | 0 | 110.1 | F133 R134 L135 L205 V208 | F133-Q179 PolarHBondContact O-NE2 2.83Å; R134-Q179 VanDerWaalsContact CA-OE1 3.32Å; R134-Q179 VanDerWaalsContact NH1-CB 3.3Å; L135-Q179 HydrophobicContact CD1-CG 4.39Å; Q179-L205 PolarHBondContact NE2-O 2.84Å; Q179-L205 VanDerWaalsContact NE2-O 3.16Å; Q179-V208 HydrophobicContact CG-CG1 4.02Å | ||
| 180 | P | 91 | Very high | 72.6 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 145.4 | 175.1 | -27.7 | 35.6 | 0 | 0 | 0 | 112.9 | R134 R204 L205 R207 M228 L233 | R134-P180 PolarHBondContact NH1-O 2.93Å; R134-P180 PolarHBondContact NH2-O 3.16Å; P180-R204 HydrophobicContact CG-CG 4.43Å; P180-L205 WeakPolarHBondContact O-CD2 3.2Å; P180-R207 WeakPolarHBondContact CD-O 3.38Å; P180-M228 HydrophobicContact CG-SD 4.24Å; P180-L233 HydrophobicContact CG-CD1 3.86Å; P180-L233 HydrophobicContact CG-CD2 3.63Å; P180-L233 HydrophobicContact CG-CG 4.44Å |
| 181 | T | 81.3 | Confident | 70.3 | Confident | 112 Ų | 112 | 55 Ų | 55 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 152.6 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 182 | V | 66.3 | Low | 67.6 | Low | 48 Ų | 48 | 59.3 Ų | 59.3 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 118.3 | 170.5 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | A184 Q186 F188 V197 L205 | V182-A184 PolarHBondContact O-N 3.17Å; V182-Q186 HydrophobicContact CG1-CB 4.28Å; V182-F188 HydrophobicContact CG2-CZ 4.39Å; V182-V197 HydrophobicContact CG1-CG2 4.11Å; V182-L205 HydrophobicContact CG2-CD1 3.59Å; V182-L205 HydrophobicContact CG2-CD2 3.61Å; V182-L205 HydrophobicContact CG2-CG 4.17Å |
| 183 | V | 50.4 | Low | 64.8 | Low | 103 Ų | 103 | 63.6 Ų | 63.6 | 62% | 0.624 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -64 | 127.6 | 175.4 | -161.2 | 0 | 0 | 0 | 0 | 108 | S185 Q186 | V183-S185 PolarHBondContact O-N 3.47Å; V183-Q186 PolarHBondContact O-N 2.86Å |
| 184 | A | 38.1 | Very low | 62.2 | Low | 97 Ų | 97 | 70.6 Ų | 70.6 | 80% | 0.802 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -55.4 | -16.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V182 Q186 G187 | V182-A184 PolarHBondContact O-N 3.17Å; A184-Q186 PolarHBondContact O-N 3.28Å; A184-G187 PolarHBondContact O-N 3.34Å |
| 185 | S | 37 | Very low | 59.6 | Low | 96 Ų | 96 | 71.4 Ų | 71.4 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.8 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | V183 | V183-S185 PolarHBondContact O-N 3.47Š|
| 186 | Q | 41.2 | Very low | 57.4 | Low | 84 Ų | 84 | 77.5 Ų | 77.5 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -104.9 | 44.5 | 174.7 | -55.7 | -173.5 | -9.4 | 0 | 0 | 112.1 | V182 V183 A184 F188 V197 | V182-Q186 HydrophobicContact CG1-CB 4.28Å; V183-Q186 PolarHBondContact O-N 2.86Å; A184-Q186 PolarHBondContact O-N 3.28Å; Q186-F188 PolarHBondContact O-N 3.38Å; Q186-V197 HydrophobicContact CB-CG2 3.65Å; Q186-V197 WeakPolarHBondContact O-CG2 3.45Å |
| 187 | G | 39.2 | Very low | 55.9 | Low | 39 Ų | 39 | 77.4 Ų | 77.4 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | trans | -48 | 138.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | A184 G189 | A184-G187 PolarHBondContact O-N 3.34Å; G187-G189 PolarHBondContact O-N 2.68Å | ||
| 188 | F | 48.7 | Very low | 55.1 | Low | 75 Ų | 75 | 79.5 Ų | 79.5 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | trans | -59.7 | 101.3 | 169.6 | -61.7 | -79.2 | 0 | 0 | 0 | 108.5 | V182 Q186 R190 P195 | V182-F188 HydrophobicContact CG2-CZ 4.39Å; Q186-F188 PolarHBondContact O-N 3.38Å; F188-R190 PolarHBondContact O-N 3.15Å; F188-P195 HydrophobicContact CD1-CB 4.41Å | ||
| 189 | G | 41.8 | Very low | 54.9 | Low | 42 Ų | 42 | 85.4 Ų | 85.4 | 43% | 0.433 | 50% | 0.502 | S | S | . | . | trans | -50.5 | 128.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G187 G191 | G187-G189 PolarHBondContact O-N 2.68Å; G189-G191 PolarHBondContact O-N 2.82Å | ||
| 190 | R | 40.4 | Very low | 54.7 | Low | 263 Ų | 263 | 88.3 Ų | 88.3 | 99% | 0.992 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -78.9 | 67.4 | 168.2 | -67.5 | -171.1 | -177.4 | -161.3 | 2.3 | 108.8 | F188 | F188-R190 PolarHBondContact O-N 3.15Š|
| 191 | G | 44.7 | Very low | 54.6 | Low | 41 Ų | 41 | 89.8 Ų | 89.8 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -153.3 | 156.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G189 N193 | G189-G191 PolarHBondContact O-N 2.82Å; G191-N193 PolarHBondContact O-N 2.92Å |
| 192 | P | 36.9 | Very low | 55.1 | Low | 134 Ų | 134 | 84.5 Ų | 84.5 | 87% | 0.87 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -70.2 | 0 | -173.2 | -14.5 | 29.4 | 0 | 0 | 0 | 115.1 | ||
| 193 | N | 35.9 | Very low | 56.4 | Low | 140 Ų | 140 | 82.4 Ų | 82.4 | 75% | 0.749 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -128.5 | 100.1 | -176.6 | -73.8 | -31.6 | 0 | 0 | 0 | 111.4 | G191 | G191-N193 PolarHBondContact O-N 2.92Š|
| 194 | I | 41.7 | Very low | 58.4 | Low | 149 Ų | 149 | 81.3 Ų | 81.3 | 76% | 0.764 | 48% | 0.481 | S | S | * | . | trans | 64 | 132.1 | 153.2 | -45.9 | 173.1 | 0 | 0 | 0 | 116.3 | ||||
| 195 | P | 42.2 | Very low | 60.9 | Low | 23 Ų | 23 | 77.3 Ų | 77.3 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | trans | -62.2 | 143.8 | 177.4 | -14.1 | 28.1 | 0 | 0 | 0 | 111.1 | P22 S23 F188 V197 | P22-P195 WeakPolarHBondContact O-CD 3.34Å; P22-P195 WeakPolarHBondContact O-CG 3.47Å; S23-P195 VanDerWaalsContact C-CG 3.44Å; S23-P195 VanDerWaalsContact CA-CG 3.49Å; S23-P195 VanDerWaalsContact O-CG 3.25Å; S23-P195 WeakPolarHBondContact O-CG 3.4Å; F188-P195 HydrophobicContact CD1-CB 4.41Å; P195-V197 HydrophobicContact CB-CB 4.47Å; P195-V197 PolarHBondContact O-N 2.86Å | ||
| 196 | L | 50.5 | Low | 63.6 | Low | 128 Ų | 128 | 72.8 Ų | 72.8 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -65.7 | 11.6 | 169.7 | -146.7 | 78.7 | 0 | 0 | 0 | 113.1 | ||
| 197 | V | 62.8 | Low | 66.2 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -126.7 | 111.4 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 106.4 | V182 Q186 P195 A201 V202 | V182-V197 HydrophobicContact CG1-CG2 4.11Å; Q186-V197 HydrophobicContact CB-CG2 3.65Å; Q186-V197 WeakPolarHBondContact O-CG2 3.45Å; P195-V197 HydrophobicContact CB-CB 4.47Å; P195-V197 PolarHBondContact O-N 2.86Å; V197-A201 HydrophobicContact CG1-CB 3.37Å; V197-V202 HydrophobicContact CB-CG2 4.45Å; V197-V202 HydrophobicContact CG1-CG2 3.95Å |
| 198 | G | 81.3 | Confident | 69 | Low | 51 Ų | 51 | 67.6 Ų | 67.6 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | trans | -62.6 | 157.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A200 A201 V202 | G198-A200 PolarHBondContact O-N 3.03Å; G198-A200 VanDerWaalsContact O-N 3.12Å; G198-A201 WeakPolarHBondContact O-CA 3.34Å; G198-A201 WeakPolarHBondContact O-CB 3.38Å; G198-A201 PolarHBondContact O-N 3.01Å; G198-V202 PolarHBondContact O-N 2.83Å | ||
| 199 | K | 88.9 | Confident | 71.3 | Confident | 138 Ų | 138 | 64 Ų | 64 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -45.6 | -47.5 | -179.8 | -69.1 | -174.6 | 179.8 | -178.6 | 0 | 112.7 | I21 A201 V202 S203 | I21-K199 HydrophobicContact CG2-CB 3.7Å; I21-K199 HydrophobicContact CG2-CG 4.04Å; K199-A201 VanDerWaalsContact C-N 3.29Å; K199-A201 PolarHBondContact O-N 2.89Å; K199-V202 WeakPolarHBondContact O-CB 3.08Å; K199-V202 PolarHBondContact O-N 3.47Å; K199-S203 PolarHBondContact O-N 3.39Å; K199-S203 PolarHBondContact O-OG 2.85Å; K199-S203 VanDerWaalsContact O-OG 3.06Å |
| 200 | A | 89.4 | Confident | 74 | Confident | 81 Ų | 81 | 62 Ų | 62 | 67% | 0.669 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.7 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G198 S203 R204 | G198-A200 PolarHBondContact O-N 3.03Å; G198-A200 VanDerWaalsContact O-N 3.12Å; A200-S203 PolarHBondContact O-N 3.43Å; A200-R204 WeakPolarHBondContact O-CB 3.3Å; A200-R204 PolarHBondContact O-N 2.82Å |
| 201 | A | 89.1 | Confident | 76.6 | Confident | 36 Ų | 36 | 52.1 Ų | 52.1 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.2 | -32.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V197 G198 K199 L205 | V197-A201 HydrophobicContact CG1-CB 3.37Å; G198-A201 WeakPolarHBondContact O-CA 3.34Å; G198-A201 WeakPolarHBondContact O-CB 3.38Å; G198-A201 PolarHBondContact O-N 3.01Å; K199-A201 VanDerWaalsContact C-N 3.29Å; K199-A201 PolarHBondContact O-N 2.89Å; A201-L205 WeakPolarHBondContact O-CG 3.32Å |
| 202 | V | 91.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 172.5 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | L19 I21 S132 V197 G198 K199 R204 L205 | L19-V202 HydrophobicContact CD2-CG1 3.41Å; L19-V202 VanDerWaalsContact CD2-CG1 3.41Å; L19-V202 HydrophobicContact CG-CG1 4.14Å; I21-V202 HydrophobicContact CG2-CB 4.4Å; S132-V202 VanDerWaalsContact CB-O 3.31Å; S132-V202 WeakPolarHBondContact CB-O 3.43Å; S132-V202 PolarHBondContact OG-O 2.79Å; V197-V202 HydrophobicContact CB-CG2 4.45Å; V197-V202 HydrophobicContact CG1-CG2 3.95Å; G198-V202 PolarHBondContact O-N 2.83Å; K199-V202 WeakPolarHBondContact O-CB 3.08Å; K199-V202 PolarHBondContact O-N 3.47Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 3.22Å; V202-L205 WeakPolarHBondContact O-CB 3.46Å; V202-L205 PolarHBondContact O-N 3.16Å |
| 203 | S | 92.8 | Very high | 81.6 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 173.4 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | E102 S132 K199 A200 L205 G206 | E102-S203 WeakPolarHBondContact OE1-CB 3.34Å; E102-S203 PolarHBondContact OE1-OG 2.81Å; S132-S203 PolarHBondContact OG-O 3.13Å; K199-S203 PolarHBondContact O-N 3.39Å; K199-S203 PolarHBondContact O-OG 2.85Å; K199-S203 VanDerWaalsContact O-OG 3.06Å; A200-S203 PolarHBondContact O-N 3.43Å; S203-L205 PolarHBondContact O-N 2.85Å; S203-L205 VanDerWaalsContact O-N 3.08Å; S203-G206 PolarHBondContact O-N 3.46Å |
| 204 | R | 92.7 | Very high | 84.3 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.2 | -27.3 | 177.7 | -171.2 | 174.9 | -175.8 | -84.2 | -0.1 | 113.6 | P180 A200 V202 G206 R207 D230 L233 | P180-R204 HydrophobicContact CG-CG 4.43Å; A200-R204 WeakPolarHBondContact O-CB 3.3Å; A200-R204 PolarHBondContact O-N 2.82Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 3.22Å; R204-G206 PolarHBondContact O-N 3.3Å; R204-R207 PolarHBondContact O-N 3.31Å; R204-R207 VanDerWaalsContact O-N 3.14Å; R204-D230 IonicContact CZ-OD1 3.67Å; R204-D230 VanDerWaalsContact CZ-OD1 3.25Å; R204-D230 IonicContact NE-OD1 2.68Å; R204-D230 PolarHBondContact NE-OD1 2.9Å; R204-D230 IonicContact NH2-OD1 3.92Å; R204-D230 PolarHBondContact NH2-OD1 2.87Å; R204-L233 HydrophobicContact CG-CD1 4.12Å |
| 205 | L | 91.8 | Very high | 86.7 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.6 | 178.3 | -61 | 175.1 | 0 | 0 | 0 | 114 | L19 R134 Q179 P180 V182 A201 V202 S203 | L19-L205 HydrophobicContact CD2-CB 4.46Å; L19-L205 HydrophobicContact CD2-CD1 3.82Å; R134-L205 PolarHBondContact NH1-O 2.87Å; Q179-L205 PolarHBondContact NE2-O 2.84Å; Q179-L205 VanDerWaalsContact NE2-O 3.16Å; P180-L205 WeakPolarHBondContact O-CD2 3.2Å; V182-L205 HydrophobicContact CG2-CD1 3.59Å; V182-L205 HydrophobicContact CG2-CD2 3.61Å; V182-L205 HydrophobicContact CG2-CG 4.17Å; A201-L205 WeakPolarHBondContact O-CG 3.32Å; V202-L205 WeakPolarHBondContact O-CB 3.46Å; V202-L205 PolarHBondContact O-N 3.16Å; S203-L205 PolarHBondContact O-N 2.85Å; S203-L205 VanDerWaalsContact O-N 3.08Å |
| 206 | G | 93.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S132 F133 S203 R204 | S132-G206 PolarHBondContact OG-N 2.94Å; S132-G206 VanDerWaalsContact OG-N 3.15Å; F133-G206 WeakPolarHBondContact CE1-O 3.32Å; F133-G206 WeakPolarHBondContact CZ-O 3.36Å; F133-G206 VanDerWaalsContact O-CA 3.27Å; F133-G206 WeakPolarHBondContact O-CA 3.46Å; S203-G206 PolarHBondContact O-N 3.46Å; R204-G206 PolarHBondContact O-N 3.3Å |
| 207 | R | 95.7 | Very high | 91.5 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | trans | -80 | 154.8 | 175.7 | -54.8 | -161.6 | 81.4 | -134 | -4.2 | 110.8 | G99 T100 P180 R204 L233 F234 S235 R249 D250 | G99-R207 PolarHBondContact O-NE 2.76Å; T100-R207 WeakPolarHBondContact O-CD 3.29Å; T100-R207 WeakPolarHBondContact O-CG 3.29Å; P180-R207 WeakPolarHBondContact CD-O 3.38Å; R204-R207 PolarHBondContact O-N 3.31Å; R204-R207 VanDerWaalsContact O-N 3.14Å; R207-L233 HydrophobicContact CB-CB 4.15Å; R207-L233 HydrophobicContact CB-CD1 4.43Å; R207-L233 HydrophobicContact CB-CD2 4.3Å; R207-L233 VanDerWaalsContact CZ-C 3.44Å; R207-L233 VanDerWaalsContact NH1-C 3.27Å; R207-L233 PolarHBondContact NH1-O 3.13Å; R207-L233 VanDerWaalsContact NH2-C 3.33Å; R207-L233 PolarHBondContact NH2-O 3.09Å; R207-F234 CarbonylContact C-O 3.48Å; R207-F234 VanDerWaalsContact CA-O 3.29Å; R207-F234 WeakPolarHBondContact CA-O 3.05Å; R207-F234 WeakPolarHBondContact CB-O 3.39Å; R207-F234 VanDerWaalsContact NH2-C 3.29Å; R207-S235 VanDerWaalsContact NH2-N 3.17Å; R207-R249 PolarHBondContact NH2-O 3.37Å; R207-D250 VanDerWaalsContact NH2-C 3.32Å | ||
| 208 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -119.9 | 153.8 | 179.7 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | L135 I177 E178 Q179 L233 F234 F236 F248 | L135-V208 HydrophobicContact CD1-CG1 4.1Å; I177-V208 HydrophobicContact CG2-CB 3.79Å; I177-V208 HydrophobicContact CG2-CG1 3.63Å; I177-V208 HydrophobicContact CG2-CG2 4.48Å; E178-V208 CarbonylContact O-C 3.49Å; E178-V208 VanDerWaalsContact O-CA 3.28Å; E178-V208 WeakPolarHBondContact O-CA 3.45Å; Q179-V208 HydrophobicContact CG-CG1 4.02Å; V208-L233 CarbonylContact O-C 3.58Å; V208-L233 WeakPolarHBondContact O-CA 3.07Å; V208-F234 HydrophobicContact CG2-CB 4.3Å; V208-F234 PolarHBondContact N-O 3.44Å; V208-F234 PolarHBondContact O-N 3.45Å; V208-F236 HydrophobicContact CB-CD2 4.44Å; V208-F236 HydrophobicContact CG1-CB 4.04Å; V208-F236 HydrophobicContact CG1-CD2 3.81Å; V208-F236 HydrophobicContact CG1-CG 4.12Å; V208-F236 HydrophobicContact CG2-CB 4.21Å; V208-F236 HydrophobicContact CG2-CD2 3.84Å; V208-F248 HydrophobicContact CG2-CD1 4.2Å; V208-F248 HydrophobicContact CG2-CE1 4.41Å |
| 209 | S | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.8 | 169.5 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | E178 Y217 T232 | E178-S209 PolarHBondContact N-O 3.12Å; E178-S209 PolarHBondContact O-N 2.84Å; S209-Y217 WeakPolarHBondContact OG-CD1 3.29Å; S209-T232 PolarHBondContact OG-O 3.5Å; S209-T232 PolarHBondContact OG-OG1 3.32Å |
| 210 | F | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.2 | 173.6 | -57.5 | -49 | 0 | 0 | 0 | 110.2 | I143 I175 W176 I177 M212 Y217 L218 F234 F248 L256 | I143-F210 HydrophobicContact CD1-CD1 3.8Å; I143-F210 HydrophobicContact CD1-CE1 3.56Å; I143-F210 HydrophobicContact CD1-CZ 4.09Å; I175-F210 HydrophobicContact CG2-CB 3.95Å; I175-F210 HydrophobicContact CG2-CD1 4.06Å; I175-F210 HydrophobicContact CG2-CG 4.28Å; W176-F210 WeakPolarHBondContact O-CA 3.46Å; I177-F210 HydrophobicContact CD1-CE1 4.48Å; I177-F210 HydrophobicContact CG1-CD1 4.16Å; I177-F210 HydrophobicContact CG1-CE1 4.1Å; F210-M212 HydrophobicContact CB-CE 3.66Å; F210-Y217 VanDerWaalsContact O-CA 3.31Å; F210-Y217 WeakPolarHBondContact O-CA 3.35Å; F210-L218 HydrophobicContact CB-CB 4.21Å; F210-L218 HydrophobicContact CD2-CB 4.49Å; F210-L218 HydrophobicContact CD2-CD2 3.8Å; F210-L218 HydrophobicContact CE2-CD2 4.49Å; F210-L218 PolarHBondContact O-N 3.27Å; F210-L218 VanDerWaalsContact O-N 3.07Å; F210-F234 HydrophobicContact CD2-CD2 4.38Å; F210-F234 HydrophobicContact CD2-CE2 4.27Å; F210-F234 HydrophobicContact CE2-CD2 4.23Å; F210-F234 HydrophobicContact CE2-CE2 4.4Å; F210-F248 HydrophobicContact CE1-CD1 4.35Å; F210-F248 AromaticContact CE1-CE1 3.93Å; F210-F248 HydrophobicContact CE1-CE1 3.93Å; F210-F248 HydrophobicContact CE1-CZ 4.06Å; F210-F248 HydrophobicContact CE2-CD1 4.43Å; F210-F248 HydrophobicContact CE2-CD2 4.33Å; F210-F248 HydrophobicContact CE2-CG 4.25Å; F210-F248 AromaticContact CZ-CD1 3.58Å; F210-F248 HydrophobicContact CZ-CD1 3.58Å; F210-F248 AromaticContact CZ-CD2 3.84Å; F210-F248 HydrophobicContact CZ-CD2 3.84Å; F210-F248 AromaticContact CZ-CE1 3.5Å; F210-F248 HydrophobicContact CZ-CE1 3.5Å; F210-F248 VanDerWaalsContact CZ-CE1 3.5Å; F210-F248 AromaticContact CZ-CE2 3.76Å; F210-F248 HydrophobicContact CZ-CE2 3.76Å; F210-F248 AromaticContact CZ-CG 3.74Å; F210-F248 HydrophobicContact CZ-CG 3.74Å; F210-F248 AromaticContact CZ-CZ 3.59Å; F210-F248 HydrophobicContact CZ-CZ 3.59Å; F210-L256 HydrophobicContact CD2-CD2 4.39Å; F210-L256 HydrophobicContact CE2-CD2 3.59Å; F210-L256 HydrophobicContact CZ-CD2 4.45Å |
| 211 | R | 96.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 21% | 0.211 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.1 | 173.8 | -175 | -174.8 | 176.6 | -151.4 | -5.8 | 110.2 | W176 E178 K216 Y217 | W176-R211 HydrophobicContact CB-CB 3.97Å; W176-R211 WeakPolarHBondContact CB-O 3.4Å; W176-R211 PolarHBondContact N-O 3.47Å; W176-R211 PolarHBondContact O-N 3.07Å; E178-R211 HydrophobicContact CG-CB 3.94Å; E178-R211 WeakPolarHBondContact OE1-CD 3.39Å; E178-R211 IonicContact OE1-CZ 2.63Å; E178-R211 IonicContact OE1-NE 3.6Å; E178-R211 IonicContact OE1-NH1 2.86Å; E178-R211 PolarHBondContact OE1-NH1 2.85Å; E178-R211 WeakPolarHBondContact OE2-CD 3.39Å; R211-K216 CarbonylContact C-O 3.56Å; R211-K216 WeakPolarHBondContact CA-O 3.26Å; R211-Y217 HydrophobicContact CB-CD1 3.7Å; R211-Y217 HydrophobicContact CB-CE1 3.54Å; R211-Y217 HydrophobicContact CG-CD1 4.11Å; R211-Y217 HydrophobicContact CG-CE1 3.74Å |
| 212 | M | 96 | Very high | 95 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -82.8 | 163.2 | -179.3 | -57.2 | -62.7 | 105.8 | 0 | 0 | 110.5 | L154 L161 I175 F210 N214 G215 K216 M224 | L154-M212 HydrophobicContact CB-SD 4.31Å; L154-M212 HydrophobicContact CD1-CB 4.46Å; L154-M212 HydrophobicContact CD1-CG 4.06Å; L154-M212 HydrophobicContact CD1-SD 4.42Å; L154-M212 HydrophobicContact CD2-CB 3.98Å; L154-M212 HydrophobicContact CD2-CG 4.48Å; L161-M212 HydrophobicContact CD1-CE 4.23Å; L161-M212 HydrophobicContact CD1-SD 3.53Å; L161-M212 VanDerWaalsContact CD1-SD 3.53Å; L161-M212 HydrophobicContact CD2-CE 4.12Å; L161-M212 HydrophobicContact CD2-SD 4.35Å; L161-M212 HydrophobicContact CG-SD 4.37Å; I175-M212 HydrophobicContact CB-CE 4.45Å; I175-M212 HydrophobicContact CD1-CE 4.48Å; I175-M212 HydrophobicContact CG1-CE 4.07Å; I175-M212 HydrophobicContact CG1-SD 4.44Å; I175-M212 HydrophobicContact CG2-CE 3.74Å; F210-M212 HydrophobicContact CB-CE 3.66Å; M212-N214 WeakPolarHBondContact CB-OD1 3.47Å; M212-N214 PolarHBondContact O-N 2.68Å; M212-N214 VanDerWaalsContact O-N 3.12Å; M212-G215 WeakPolarHBondContact O-CA 3.17Å; M212-G215 PolarHBondContact O-N 2.89Å; M212-K216 PolarHBondContact N-O 3.23Å; M212-M224 HydrophobicContact CG-CE 4.12Å; M212-M224 HydrophobicContact CG-SD 3.85Å; M212-M224 HydrophobicContact SD-CE 4.3Å | ||
| 213 | P | 90.2 | Very high | 95.3 | Very high | 37 Ų | 37 | 30.3 Ų | 30.3 | 24% | 0.24 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.7 | 179.4 | -25.3 | 32.3 | 0 | 0 | 0 | 114.8 | P171 V174 G215 | P171-P213 WeakPolarHBondContact O-CG 3.33Å; V174-P213 VanDerWaalsContact O-CD 3.31Å; V174-P213 WeakPolarHBondContact O-CD 3.38Å; V174-P213 VanDerWaalsContact O-CG 3.23Å; V174-P213 WeakPolarHBondContact O-CG 3.21Å; P213-G215 PolarHBondContact O-N 3.34Å |
| 214 | N | 91.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 31.4 Ų | 31.4 | 41% | 0.412 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.8 | 175.4 | 70.2 | -3.7 | 0 | 0 | 0 | 113.5 | L154 M212 K216 | L154-N214 HydrophobicContact CD2-CB 4.29Å; L154-N214 VanDerWaalsContact CD2-ND2 3.32Å; L154-N214 WeakPolarHBondContact CD2-ND2 3.45Å; M212-N214 WeakPolarHBondContact CB-OD1 3.47Å; M212-N214 PolarHBondContact O-N 2.68Å; M212-N214 VanDerWaalsContact O-N 3.12Å; N214-K216 WeakPolarHBondContact OD1-CB 3.36Å; N214-K216 PolarHBondContact OD1-N 3.01Å |
| 215 | G | 92.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 22% | 0.216 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 87.4 | -4.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | M212 P213 | M212-G215 WeakPolarHBondContact O-CA 3.17Å; M212-G215 PolarHBondContact O-N 2.89Å; P213-G215 PolarHBondContact O-N 3.34Å |
| 216 | K | 96.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 34 Ų | 34 | 20% | 0.204 | 18% | 0.179 | C | C | . | . | trans | -78.5 | 157.6 | 177.3 | -63.3 | -170.3 | -173.3 | 174.4 | 0 | 112.4 | G158 R211 M212 N214 M224 C225 | G158-K216 PolarHBondContact O-NZ 2.87Å; G158-K216 VanDerWaalsContact O-NZ 3.09Å; R211-K216 CarbonylContact C-O 3.56Å; R211-K216 WeakPolarHBondContact CA-O 3.26Å; M212-K216 PolarHBondContact N-O 3.23Å; N214-K216 WeakPolarHBondContact OD1-CB 3.36Å; N214-K216 PolarHBondContact OD1-N 3.01Å; K216-M224 HydrophobicContact CB-CB 4.19Å; K216-M224 HydrophobicContact CB-SD 4.49Å; K216-M224 HydrophobicContact CD-CB 3.76Å; K216-C225 CarbonylContact C-O 3.48Å; K216-C225 WeakPolarHBondContact CA-O 3.19Å; K216-C225 VanDerWaalsContact CB-O 3.3Å; K216-C225 WeakPolarHBondContact CB-O 3.42Å | ||
| 217 | Y | 98.2 | Very high | 96 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 145.4 | 178.7 | -58 | -88 | 0 | 0 | 0 | 111.8 | E178 S209 F210 R211 M224 C225 M228 | E178-Y217 PolarHBondContact OE2-OH 2.92Å; S209-Y217 WeakPolarHBondContact OG-CD1 3.29Å; F210-Y217 VanDerWaalsContact O-CA 3.31Å; F210-Y217 WeakPolarHBondContact O-CA 3.35Å; R211-Y217 HydrophobicContact CB-CD1 3.7Å; R211-Y217 HydrophobicContact CB-CE1 3.54Å; R211-Y217 HydrophobicContact CG-CD1 4.11Å; R211-Y217 HydrophobicContact CG-CE1 3.74Å; Y217-M224 CarbonylContact O-C 3.41Å; Y217-M224 WeakPolarHBondContact O-CA 3.12Å; Y217-C225 PolarHBondContact N-O 3.47Å; Y217-C225 PolarHBondContact O-N 2.98Å; Y217-M228 HydrophobicContact CD1-CB 4.3Å; Y217-M228 HydrophobicContact CD1-CE 4.33Å; Y217-M228 HydrophobicContact CD2-CB 4.44Å; Y217-M228 HydrophobicContact CE1-CB 4.02Å; Y217-M228 HydrophobicContact CE1-CE 3.54Å; Y217-M228 HydrophobicContact CE2-CB 4.21Å; Y217-M228 HydrophobicContact CG-CB 4.48Å |
| 218 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.3 | 173.7 | -178.9 | 71.3 | 0 | 0 | 0 | 111 | L161 F210 M224 T232 F234 L256 A264 | L161-L218 HydrophobicContact CB-CD1 4.2Å; L161-L218 HydrophobicContact CD2-CD1 4.4Å; L161-L218 HydrophobicContact CD2-CD2 3.85Å; F210-L218 HydrophobicContact CB-CB 4.21Å; F210-L218 HydrophobicContact CD2-CB 4.49Å; F210-L218 HydrophobicContact CD2-CD2 3.8Å; F210-L218 HydrophobicContact CE2-CD2 4.49Å; F210-L218 PolarHBondContact O-N 3.27Å; F210-L218 VanDerWaalsContact O-N 3.07Å; L218-M224 HydrophobicContact CB-CE 4.45Å; L218-M224 HydrophobicContact CD1-CE 3.72Å; L218-T232 VanDerWaalsContact O-CA 3.3Å; L218-T232 WeakPolarHBondContact O-CA 3.42Å; L218-T232 WeakPolarHBondContact O-CB 3.48Å; L218-F234 HydrophobicContact CD2-CZ 4.4Å; L218-L256 HydrophobicContact CD2-CD1 4.17Å; L218-L256 HydrophobicContact CD2-CD2 4.37Å; L218-A264 HydrophobicContact CD2-CB 4.33Å |
| 219 | K | 97.7 | Very high | 95.8 | Very high | 47 Ų | 47 | 46 Ų | 46 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | trans | -85.6 | 157.2 | 168.1 | -66.9 | 175.3 | 61.2 | -167.6 | 0 | 111.6 | N221 G222 E223 C225 S231 T232 | K219-N221 VanDerWaalsContact CB-OD1 3.24Å; K219-N221 WeakPolarHBondContact CB-OD1 3.29Å; K219-N221 PolarHBondContact O-N 2.98Å; K219-N221 VanDerWaalsContact O-N 3.14Å; K219-G222 PolarHBondContact O-N 3.49Å; K219-E223 WeakPolarHBondContact CB-O 3.23Å; K219-E223 HydrophobicContact CD-CB 4.2Å; K219-E223 PolarHBondContact N-O 3.38Å; K219-E223 IonicContact NZ-OE2 2.93Å; K219-E223 PolarHBondContact NZ-OE2 3.38Å; K219-C225 HydrophobicContact CD-CB 4.01Å; K219-C225 HydrophobicContact CG-CB 4.31Å; K219-S231 WeakPolarHBondContact CA-O 3.35Å; K219-S231 WeakPolarHBondContact CE-OG 3.17Å; K219-T232 HydrophobicContact CG-CG2 4.02Å | ||
| 220 | S | 95.7 | Very high | 95.5 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.4 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | G222 S231 V266 | S220-G222 VanDerWaalsContact C-N 3.29Å; S220-G222 PolarHBondContact O-N 2.86Å; S220-S231 PolarHBondContact N-O 2.88Å; S220-V266 VanDerWaalsContact O-CB 3.26Å; S220-V266 WeakPolarHBondContact O-CB 3.49Å; S220-V266 WeakPolarHBondContact O-CG2 3.41Å; S220-V266 PolarHBondContact O-N 3.21Å |
| 221 | N | 95.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 51 Ų | 51 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -5.7 | 177.3 | 67.9 | -6.7 | 0 | 0 | 0 | 114.4 | K219 E223 | K219-N221 VanDerWaalsContact CB-OD1 3.24Å; K219-N221 WeakPolarHBondContact CB-OD1 3.29Å; K219-N221 PolarHBondContact O-N 2.98Å; K219-N221 VanDerWaalsContact O-N 3.14Å; N221-E223 PolarHBondContact ND2-OE2 3.01Å; N221-E223 WeakPolarHBondContact OD1-CB 3.47Å; N221-E223 PolarHBondContact OD1-N 2.97Å; N221-E223 VanDerWaalsContact OD1-N 3.1Å |
| 222 | G | 96.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 9% | 0.093 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 96.1 | -3.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K219 S220 A264 | K219-G222 PolarHBondContact O-N 3.49Å; S220-G222 VanDerWaalsContact C-N 3.29Å; S220-G222 PolarHBondContact O-N 2.86Å; G222-A264 WeakPolarHBondContact CA-O 3.43Å |
| 223 | E | 97.2 | Very high | 95.4 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 26% | 0.257 | S | S | . | . | trans | -76.6 | 158.4 | 174.9 | -65.4 | 172.6 | 164.1 | 0 | 0 | 111.9 | K219 N221 | K219-E223 WeakPolarHBondContact CB-O 3.23Å; K219-E223 HydrophobicContact CD-CB 4.2Å; K219-E223 PolarHBondContact N-O 3.38Å; K219-E223 IonicContact NZ-OE2 2.93Å; K219-E223 PolarHBondContact NZ-OE2 3.38Å; N221-E223 PolarHBondContact ND2-OE2 3.01Å; N221-E223 WeakPolarHBondContact OD1-CB 3.47Å; N221-E223 PolarHBondContact OD1-N 2.97Å; N221-E223 VanDerWaalsContact OD1-N 3.1Å | ||
| 224 | M | 97.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.6 | 173.2 | -65.5 | -67.2 | 162.1 | 0 | 0 | 111.4 | L154 L159 L161 M212 K216 Y217 L218 | L154-M224 HydrophobicContact CD1-CE 3.96Å; L154-M224 HydrophobicContact CD1-CG 4.41Å; L154-M224 HydrophobicContact CD1-SD 4.32Å; L159-M224 WeakPolarHBondContact O-CG 3.47Å; L161-M224 HydrophobicContact CB-CE 3.42Å; L161-M224 VanDerWaalsContact CB-CE 3.42Å; M212-M224 HydrophobicContact CG-CE 4.12Å; M212-M224 HydrophobicContact CG-SD 3.85Å; M212-M224 HydrophobicContact SD-CE 4.3Å; K216-M224 HydrophobicContact CB-CB 4.19Å; K216-M224 HydrophobicContact CB-SD 4.49Å; K216-M224 HydrophobicContact CD-CB 3.76Å; Y217-M224 CarbonylContact O-C 3.41Å; Y217-M224 WeakPolarHBondContact O-CA 3.12Å; L218-M224 HydrophobicContact CB-CE 4.45Å; L218-M224 HydrophobicContact CD1-CE 3.72Å |
| 225 | C | 96.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 165.6 | 174.3 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | K216 Y217 K219 E227 T232 | K216-C225 CarbonylContact C-O 3.48Å; K216-C225 WeakPolarHBondContact CA-O 3.19Å; K216-C225 VanDerWaalsContact CB-O 3.3Å; K216-C225 WeakPolarHBondContact CB-O 3.42Å; Y217-C225 PolarHBondContact N-O 3.47Å; Y217-C225 PolarHBondContact O-N 2.98Å; K219-C225 HydrophobicContact CD-CB 4.01Å; K219-C225 HydrophobicContact CG-CB 4.31Å; C225-E227 PolarHBondContact SG-O 2.86Å; C225-T232 WeakPolarHBondContact SG-CG2 2.94Å |
| 226 | N | 96 | Very high | 96 | Very high | 127 Ų | 127 | 42 Ų | 42 | 68% | 0.679 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -88.7 | -15.2 | -175.9 | -63.4 | -31.3 | 0 | 0 | 0 | 113.6 | ||
| 227 | E | 94.9 | Very high | 95.9 | Very high | 148 Ų | 148 | 39.9 Ų | 39.9 | 69% | 0.692 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -123.3 | 145.4 | -173.5 | -62.7 | -171 | 173 | 0 | 0 | 110.9 | C225 D229 | C225-E227 PolarHBondContact SG-O 2.86Å; E227-D229 PolarHBondContact O-N 3.11Å |
| 228 | M | 94.7 | Very high | 95.7 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 25% | 0.251 | 20% | 0.202 | S | C | . | . | trans | -82.1 | 105.9 | 172.4 | -175.8 | -170.7 | -58 | 0 | 0 | 109 | E178 P180 Y217 L233 | E178-M228 HydrophobicContact CB-CE 3.71Å; E178-M228 WeakPolarHBondContact OE2-CE 3.26Å; P180-M228 HydrophobicContact CG-SD 4.24Å; Y217-M228 HydrophobicContact CD1-CB 4.3Å; Y217-M228 HydrophobicContact CD1-CE 4.33Å; Y217-M228 HydrophobicContact CD2-CB 4.44Å; Y217-M228 HydrophobicContact CE1-CB 4.02Å; Y217-M228 HydrophobicContact CE1-CE 3.54Å; Y217-M228 HydrophobicContact CE2-CB 4.21Å; Y217-M228 HydrophobicContact CG-CB 4.48Å; M228-L233 HydrophobicContact CG-CD2 4.29Å; M228-L233 HydrophobicContact SD-CD2 4.31Å | ||
| 229 | D | 93.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | trans | -122.6 | 179.1 | 173 | 66.8 | 37.1 | 0 | 0 | 0 | 111.1 | E227 S231 T232 L233 | E227-D229 PolarHBondContact O-N 3.11Å; D229-S231 PolarHBondContact O-N 2.86Å; D229-S231 WeakPolarHBondContact OD1-CA 3.37Å; D229-S231 VanDerWaalsContact OD1-CB 3.22Å; D229-S231 WeakPolarHBondContact OD1-CB 3.38Å; D229-S231 PolarHBondContact OD1-N 3.17Å; D229-S231 PolarHBondContact OD1-OG 3.17Å; D229-T232 PolarHBondContact N-OG1 3.32Å; D229-T232 PolarHBondContact O-N 3.32Å; D229-T232 PolarHBondContact O-OG1 2.77Å; D229-T232 PolarHBondContact OD1-N 2.71Å; D229-L233 PolarHBondContact O-N 2.64Å | ||
| 230 | D | 91.7 | Very high | 95.1 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -62.8 | -24.6 | -176.9 | -65.4 | -23.6 | 0 | 0 | 0 | 113.4 | R204 T232 L233 Q251 | R204-D230 IonicContact CZ-OD1 3.67Å; R204-D230 VanDerWaalsContact CZ-OD1 3.25Å; R204-D230 IonicContact NE-OD1 2.68Å; R204-D230 PolarHBondContact NE-OD1 2.9Å; R204-D230 IonicContact NH2-OD1 3.92Å; R204-D230 PolarHBondContact NH2-OD1 2.87Å; D230-T232 PolarHBondContact O-N 2.78Å; D230-L233 PolarHBondContact O-N 2.85Å; D230-Q251 PolarHBondContact O-OE1 2.98Å |
| 231 | S | 94.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -71.9 | -17 | 174.9 | 81 | 0 | 0 | 0 | 0 | 113.6 | K219 S220 D229 | K219-S231 WeakPolarHBondContact CA-O 3.35Å; K219-S231 WeakPolarHBondContact CE-OG 3.17Å; S220-S231 PolarHBondContact N-O 2.88Å; D229-S231 PolarHBondContact O-N 2.86Å; D229-S231 WeakPolarHBondContact OD1-CA 3.37Å; D229-S231 VanDerWaalsContact OD1-CB 3.22Å; D229-S231 WeakPolarHBondContact OD1-CB 3.38Å; D229-S231 PolarHBondContact OD1-N 3.17Å; D229-S231 PolarHBondContact OD1-OG 3.17Å |
| 232 | T | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -95.3 | -7.8 | 174.5 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | S209 L218 K219 C225 D229 D230 F234 | S209-T232 PolarHBondContact OG-O 3.5Å; S209-T232 PolarHBondContact OG-OG1 3.32Å; L218-T232 VanDerWaalsContact O-CA 3.3Å; L218-T232 WeakPolarHBondContact O-CA 3.42Å; L218-T232 WeakPolarHBondContact O-CB 3.48Å; K219-T232 HydrophobicContact CG-CG2 4.02Å; C225-T232 WeakPolarHBondContact SG-CG2 2.94Å; D229-T232 PolarHBondContact N-OG1 3.32Å; D229-T232 PolarHBondContact O-N 3.32Å; D229-T232 PolarHBondContact O-OG1 2.77Å; D229-T232 PolarHBondContact OD1-N 2.71Å; D230-T232 PolarHBondContact O-N 2.78Å; T232-F234 WeakPolarHBondContact O-CD2 3.39Å; T232-F234 WeakPolarHBondContact O-CE2 3.39Å |
| 233 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -90.9 | 136.9 | -175.1 | -69.6 | 179.3 | 0 | 0 | 0 | 111.2 | P180 R204 R207 V208 M228 D229 D230 | P180-L233 HydrophobicContact CG-CD1 3.86Å; P180-L233 HydrophobicContact CG-CD2 3.63Å; P180-L233 HydrophobicContact CG-CG 4.44Å; R204-L233 HydrophobicContact CG-CD1 4.12Å; R207-L233 HydrophobicContact CB-CB 4.15Å; R207-L233 HydrophobicContact CB-CD1 4.43Å; R207-L233 HydrophobicContact CB-CD2 4.3Å; R207-L233 VanDerWaalsContact CZ-C 3.44Å; R207-L233 VanDerWaalsContact NH1-C 3.27Å; R207-L233 PolarHBondContact NH1-O 3.13Å; R207-L233 VanDerWaalsContact NH2-C 3.33Å; R207-L233 PolarHBondContact NH2-O 3.09Å; V208-L233 CarbonylContact O-C 3.58Å; V208-L233 WeakPolarHBondContact O-CA 3.07Å; M228-L233 HydrophobicContact CG-CD2 4.29Å; M228-L233 HydrophobicContact SD-CD2 4.31Å; D229-L233 PolarHBondContact O-N 2.64Å; D230-L233 PolarHBondContact O-N 2.85Å | ||
| 234 | F | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -122.6 | 144.9 | 175.4 | -58 | -87.9 | 0 | 0 | 0 | 110.3 | R207 V208 F210 L218 T232 F248 R249 D250 L256 V266 | R207-F234 CarbonylContact C-O 3.48Å; R207-F234 VanDerWaalsContact CA-O 3.29Å; R207-F234 WeakPolarHBondContact CA-O 3.05Å; R207-F234 WeakPolarHBondContact CB-O 3.39Å; R207-F234 VanDerWaalsContact NH2-C 3.29Å; V208-F234 HydrophobicContact CG2-CB 4.3Å; V208-F234 PolarHBondContact N-O 3.44Å; V208-F234 PolarHBondContact O-N 3.45Å; F210-F234 HydrophobicContact CD2-CD2 4.38Å; F210-F234 HydrophobicContact CD2-CE2 4.27Å; F210-F234 HydrophobicContact CE2-CD2 4.23Å; F210-F234 HydrophobicContact CE2-CE2 4.4Å; L218-F234 HydrophobicContact CD2-CZ 4.4Å; T232-F234 WeakPolarHBondContact O-CD2 3.39Å; T232-F234 WeakPolarHBondContact O-CE2 3.39Å; F234-F248 HydrophobicContact CB-CB 3.87Å; F234-F248 HydrophobicContact CD1-CB 4.15Å; F234-F248 HydrophobicContact CG-CB 4.14Å; F234-R249 CarbonylContact C-O 3.56Å; F234-R249 VanDerWaalsContact CA-O 3.25Å; F234-R249 WeakPolarHBondContact CA-O 3.39Å; F234-D250 HydrophobicContact CD1-CB 4.37Å; F234-D250 HydrophobicContact CE1-CB 4.37Å; F234-L256 HydrophobicContact CE1-CB 4.46Å; F234-L256 HydrophobicContact CE1-CD1 4.38Å; F234-V266 HydrophobicContact CE1-CG2 3.81Å |
| 235 | S | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 150.5 | 159.8 | 69.7 | 0 | 0 | 0 | 0 | 108.4 | R207 F248 R249 | R207-S235 VanDerWaalsContact NH2-N 3.17Å; S235-F248 WeakPolarHBondContact O-CA 3.23Å; S235-R249 PolarHBondContact N-O 2.92Å; S235-R249 PolarHBondContact O-N 3.16Å; S235-R249 WeakPolarHBondContact OG-CA 2.99Å; S235-R249 WeakPolarHBondContact OG-CB 3.45Å; S235-R249 PolarHBondContact OG-N 3.06Å; S235-R249 VanDerWaalsContact OG-N 3.15Å; S235-R249 PolarHBondContact OG-O 2.8Å |
| 236 | F | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 105.9 | 176.2 | -168.2 | -102.8 | 0 | 0 | 0 | 107.3 | F10 L14 W103 F133 L135 I177 V208 F246 F248 I280 | F10-F236 HydrophobicContact CE1-CZ 4.25Å; F10-F236 HydrophobicContact CZ-CZ 4.49Å; L14-F236 HydrophobicContact CD1-CE1 4.28Å; L14-F236 HydrophobicContact CD2-CE1 3.94Å; W103-F236 VanDerWaalsContact CE2-O 3.28Å; W103-F236 HydrophobicContact CZ2-CD1 4.03Å; W103-F236 WeakPolarHBondContact CZ2-O 3.26Å; W103-F236 PolarHBondContact NE1-O 2.95Å; F133-F236 HydrophobicContact CE1-CB 4.11Å; F133-F236 HydrophobicContact CE2-CB 4.5Å; F133-F236 HydrophobicContact CE2-CD1 4.04Å; F133-F236 HydrophobicContact CZ-CB 3.51Å; F133-F236 AromaticContact CZ-CD1 3.78Å; F133-F236 HydrophobicContact CZ-CD1 3.78Å; F133-F236 AromaticContact CZ-CG 3.96Å; F133-F236 HydrophobicContact CZ-CG 3.96Å; L135-F236 HydrophobicContact CD2-CD1 4.33Å; L135-F236 HydrophobicContact CD2-CE1 3.85Å; L135-F236 HydrophobicContact CD2-CZ 4.15Å; I177-F236 HydrophobicContact CD1-CE2 4.23Å; V208-F236 HydrophobicContact CB-CD2 4.44Å; V208-F236 HydrophobicContact CG1-CB 4.04Å; V208-F236 HydrophobicContact CG1-CD2 3.81Å; V208-F236 HydrophobicContact CG1-CG 4.12Å; V208-F236 HydrophobicContact CG2-CB 4.21Å; V208-F236 HydrophobicContact CG2-CD2 3.84Å; F236-F246 HydrophobicContact CD1-CD1 4.35Å; F236-F246 HydrophobicContact CD1-CE1 4.46Å; F236-F246 AromaticContact CE1-CD1 3.62Å; F236-F246 HydrophobicContact CE1-CD1 3.62Å; F236-F246 AromaticContact CE1-CE1 3.43Å; F236-F246 HydrophobicContact CE1-CE1 3.43Å; F236-F246 VanDerWaalsContact CE1-CE1 3.43Å; F236-F246 AromaticContact CE2-CD1 3.95Å; F236-F246 HydrophobicContact CE2-CD1 3.95Å; F236-F246 HydrophobicContact CE2-CE1 4.33Å; F236-F246 AromaticContact CZ-CD1 3.38Å; F236-F246 HydrophobicContact CZ-CD1 3.38Å; F236-F246 AromaticContact CZ-CE1 3.35Å; F236-F246 HydrophobicContact CZ-CE1 3.35Å; F236-F246 HydrophobicContact CZ-CG 4.35Å; F236-F246 HydrophobicContact CZ-CZ 4.31Å; F236-F248 HydrophobicContact CD2-CD1 4.2Å; F236-F248 AromaticContact CD2-CE1 3.6Å; F236-F248 HydrophobicContact CD2-CE1 3.6Å; F236-F248 AromaticContact CE2-CE1 3.79Å; F236-F248 HydrophobicContact CE2-CE1 3.79Å; F236-F248 HydrophobicContact CE2-CZ 4.46Å; F236-I280 HydrophobicContact CE2-CD1 3.49Å; F236-I280 VanDerWaalsContact CE2-CD1 3.49Å; F236-I280 HydrophobicContact CZ-CD1 3.55Å |
| 237 | E | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 108.7 | -177.8 | -62 | -173.7 | -173 | 0 | 0 | 110 | F95 R239 F246 A247 R249 Y255 | F95-E237 HydrophobicContact CB-CG 4.15Å; F95-E237 HydrophobicContact CD1-CB 4.05Å; F95-E237 HydrophobicContact CD1-CG 3.73Å; F95-E237 HydrophobicContact CD2-CB 4.05Å; F95-E237 HydrophobicContact CD2-CG 4.02Å; F95-E237 HydrophobicContact CE1-CB 4Å; F95-E237 HydrophobicContact CE1-CG 4.19Å; F95-E237 HydrophobicContact CE2-CB 3.99Å; F95-E237 HydrophobicContact CE2-CG 4.45Å; F95-E237 HydrophobicContact CG-CB 4.1Å; F95-E237 HydrophobicContact CG-CG 3.66Å; F95-E237 HydrophobicContact CZ-CB 3.99Å; E237-R239 IonicContact OE2-CZ 2.67Å; E237-R239 IonicContact OE2-NE 2.75Å; E237-R239 IonicContact OE2-NH2 3.49Å; E237-R239 PolarHBondContact OE2-NH2 3.33Å; E237-F246 WeakPolarHBondContact O-CA 3.44Å; E237-A247 HydrophobicContact CB-CB 4.42Å; E237-A247 PolarHBondContact N-O 2.96Å; E237-A247 PolarHBondContact O-N 3.25Å; E237-R249 IonicContact OE1-CZ 2.72Å; E237-R249 IonicContact OE1-NE 3.64Å; E237-R249 PolarHBondContact OE1-NE 2.87Å; E237-R249 IonicContact OE1-NH1 3.09Å; E237-R249 IonicContact OE1-NH2 3.39Å; E237-R249 PolarHBondContact OE1-NH2 3.16Å; E237-R249 IonicContact OE2-NH2 3.84Å; E237-Y255 PolarHBondContact OE1-OH 3Å; E237-Y255 PolarHBondContact OE2-OH 2.72Å |
| 238 | Y | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127 | 172.9 | -179.7 | -122.3 | 0 | 0 | 0 | 110.6 | N11 L14 T53 L61 L93 F95 P240 F246 | N11-Y238 PolarHBondContact O-OH 3.37Å; L14-Y238 HydrophobicContact CD2-CG 4.25Å; T53-Y238 PolarHBondContact OG1-OH 2.98Å; L61-Y238 HydrophobicContact CD2-CD1 4.32Å; L61-Y238 HydrophobicContact CD2-CE1 4.35Å; L93-Y238 HydrophobicContact CD1-CD1 3.93Å; F95-Y238 WeakPolarHBondContact CE2-O 3.34Å; F95-Y238 WeakPolarHBondContact CZ-O 3.41Å; Y238-P240 HydrophobicContact CD1-CG 4.05Å; Y238-P240 HydrophobicContact CE1-CB 4.33Å; Y238-P240 HydrophobicContact CE1-CG 3.92Å; Y238-P240 WeakPolarHBondContact O-CD 3.4Å; Y238-F246 HydrophobicContact CD2-CD1 4.1Å; Y238-F246 AromaticContact CD2-CE1 3.48Å; Y238-F246 HydrophobicContact CD2-CE1 3.48Å; Y238-F246 VanDerWaalsContact CD2-CE1 3.48Å; Y238-F246 HydrophobicContact CD2-CE2 4.25Å; Y238-F246 AromaticContact CD2-CZ 3.56Å; Y238-F246 HydrophobicContact CD2-CZ 3.56Å; Y238-F246 HydrophobicContact CE2-CE1 4.29Å; Y238-F246 HydrophobicContact CE2-CE2 4.42Å; Y238-F246 AromaticContact CE2-CZ 3.91Å; Y238-F246 HydrophobicContact CE2-CZ 3.91Å; Y238-F246 HydrophobicContact CG-CE1 4.22Å |
| 239 | R | 92.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 24.3 Ų | 24.3 | 28% | 0.283 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 102.5 | 174.1 | -60.3 | -60.1 | 179.3 | 139.1 | -5.1 | 107.3 | E237 G244 T245 I272 L277 | E237-R239 IonicContact OE2-CZ 2.67Å; E237-R239 IonicContact OE2-NE 2.75Å; E237-R239 IonicContact OE2-NH2 3.49Å; E237-R239 PolarHBondContact OE2-NH2 3.33Å; R239-G244 WeakPolarHBondContact O-CA 3.39Å; R239-T245 WeakPolarHBondContact CB-OG1 3.31Å; R239-T245 PolarHBondContact N-O 3.13Å; R239-T245 PolarHBondContact O-N 2.91Å; R239-I272 HydrophobicContact CG-CD1 4.38Å; R239-L277 HydrophobicContact CG-CD2 4.31Å |
| 240 | P | 89.9 | Confident | 93.2 | Very high | 27 Ų | 27 | 21.6 Ų | 21.6 | 18% | 0.175 | 12% | 0.119 | C | C | . | . | trans | -50.5 | 143 | 172.7 | -27.5 | 36.4 | 0 | 0 | 0 | 110.6 | T53 A58 L61 Y238 | T53-P240 HydrophobicContact CG2-CB 4.14Å; A58-P240 CarbonylContact O-C 3.4Å; A58-P240 VanDerWaalsContact O-CB 3.29Å; A58-P240 WeakPolarHBondContact O-CB 3.08Å; L61-P240 HydrophobicContact CD2-CG 3.99Å; Y238-P240 HydrophobicContact CD1-CG 4.05Å; Y238-P240 HydrophobicContact CE1-CB 4.33Å; Y238-P240 HydrophobicContact CE1-CG 3.92Å; Y238-P240 WeakPolarHBondContact O-CD 3.4Å | ||
| 241 | G | 87.2 | Confident | 93.1 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 170 | -177.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A58 P243 G244 | A58-G241 PolarHBondContact O-N 3.45Å; A58-G241 VanDerWaalsContact O-N 3.16Å; G241-P243 CarbonylContact C-O 3.47Å; G241-P243 CarbonylContact O-C 3.53Å; G241-G244 PolarHBondContact O-N 2.92Å |
| 242 | N | 84.6 | Confident | 92.9 | Very high | 120 Ų | 120 | 25.2 Ų | 25.2 | 64% | 0.642 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -128.6 | 100 | 170.2 | -171.4 | -0.4 | 0 | 0 | 0 | 110 | ||
| 243 | P | 88 | Confident | 92.5 | Very high | 54 Ų | 54 | 25.8 Ų | 25.8 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | S | Bend | cis | -71.1 | 155.2 | -4.8 | 31.2 | -36.3 | 0 | 0 | 0 | 112.1 | N11 G241 L279 | N11-P243 HydrophobicContact CB-CB 4.06Å; G241-P243 CarbonylContact C-O 3.47Å; G241-P243 CarbonylContact O-C 3.53Å; P243-L279 HydrophobicContact CB-CD2 3.96Å; P243-L279 HydrophobicContact CG-CD1 4.17Å; P243-L279 HydrophobicContact CG-CD2 3.75Å |
| 244 | G | 90 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -62.6 | 145.4 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | N11 R239 G241 L279 | N11-G244 WeakPolarHBondContact O-CA 3.36Å; N11-G244 PolarHBondContact O-N 3.14Å; N11-G244 PolarHBondContact OD1-O 2.74Å; R239-G244 WeakPolarHBondContact O-CA 3.39Å; G241-G244 PolarHBondContact O-N 2.92Å; G244-L279 WeakPolarHBondContact O-CD2 3.33Å | ||
| 245 | T | 94.5 | Very high | 92.2 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 165.2 | -178 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | R239 L277 F278 L279 | R239-T245 WeakPolarHBondContact CB-OG1 3.31Å; R239-T245 PolarHBondContact N-O 3.13Å; R239-T245 PolarHBondContact O-N 2.91Å; T245-L277 HydrophobicContact CG2-CB 4.41Å; T245-F278 CarbonylContact C-O 3.44Å; T245-F278 WeakPolarHBondContact CA-O 3.43Å; T245-L279 HydrophobicContact CG2-CD2 3.64Å |
| 246 | F | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.7 | -178.5 | -61.5 | -90.1 | 0 | 0 | 0 | 110.5 | F10 L14 F236 E237 Y238 F248 F278 I280 | F10-F246 AromaticContact CD1-CE2 3.89Å; F10-F246 HydrophobicContact CD1-CE2 3.89Å; F10-F246 AromaticContact CD1-CZ 3.61Å; F10-F246 HydrophobicContact CD1-CZ 3.61Å; F10-F246 HydrophobicContact CE1-CE1 4.05Å; F10-F246 HydrophobicContact CE1-CE2 4.06Å; F10-F246 AromaticContact CE1-CZ 3.5Å; F10-F246 HydrophobicContact CE1-CZ 3.5Å; F10-F246 VanDerWaalsContact CE1-CZ 3.5Å; L14-F246 HydrophobicContact CD2-CE1 4.14Å; F236-F246 HydrophobicContact CD1-CD1 4.35Å; F236-F246 HydrophobicContact CD1-CE1 4.46Å; F236-F246 AromaticContact CE1-CD1 3.62Å; F236-F246 HydrophobicContact CE1-CD1 3.62Å; F236-F246 AromaticContact CE1-CE1 3.43Å; F236-F246 HydrophobicContact CE1-CE1 3.43Å; F236-F246 VanDerWaalsContact CE1-CE1 3.43Å; F236-F246 AromaticContact CE2-CD1 3.95Å; F236-F246 HydrophobicContact CE2-CD1 3.95Å; F236-F246 HydrophobicContact CE2-CE1 4.33Å; F236-F246 AromaticContact CZ-CD1 3.38Å; F236-F246 HydrophobicContact CZ-CD1 3.38Å; F236-F246 AromaticContact CZ-CE1 3.35Å; F236-F246 HydrophobicContact CZ-CE1 3.35Å; F236-F246 HydrophobicContact CZ-CG 4.35Å; F236-F246 HydrophobicContact CZ-CZ 4.31Å; E237-F246 WeakPolarHBondContact O-CA 3.44Å; Y238-F246 HydrophobicContact CD2-CD1 4.1Å; Y238-F246 AromaticContact CD2-CE1 3.48Å; Y238-F246 HydrophobicContact CD2-CE1 3.48Å; Y238-F246 VanDerWaalsContact CD2-CE1 3.48Å; Y238-F246 HydrophobicContact CD2-CE2 4.25Å; Y238-F246 AromaticContact CD2-CZ 3.56Å; Y238-F246 HydrophobicContact CD2-CZ 3.56Å; Y238-F246 HydrophobicContact CE2-CE1 4.29Å; Y238-F246 HydrophobicContact CE2-CE2 4.42Å; Y238-F246 AromaticContact CE2-CZ 3.91Å; Y238-F246 HydrophobicContact CE2-CZ 3.91Å; Y238-F246 HydrophobicContact CG-CE1 4.22Å; F246-F248 HydrophobicContact CB-CE1 4.43Å; F246-F248 HydrophobicContact CB-CE2 4.31Å; F246-F248 HydrophobicContact CB-CZ 3.91Å; F246-F278 PolarHBondContact N-O 2.82Å; F246-F278 PolarHBondContact O-N 2.73Å; F246-I280 HydrophobicContact CB-CD1 4.09Å; F246-I280 HydrophobicContact CB-CG1 4.44Å; F246-I280 HydrophobicContact CD1-CD1 3.74Å; F246-I280 HydrophobicContact CD2-CB 3.96Å; F246-I280 HydrophobicContact CD2-CD1 3.52Å; F246-I280 HydrophobicContact CD2-CG1 3.55Å; F246-I280 HydrophobicContact CE1-CD1 4.01Å; F246-I280 HydrophobicContact CE2-CB 3.84Å; F246-I280 HydrophobicContact CE2-CD1 3.82Å; F246-I280 HydrophobicContact CE2-CG1 3.93Å; F246-I280 HydrophobicContact CG-CD1 3.48Å; F246-I280 VanDerWaalsContact CG-CD1 3.48Å; F246-I280 HydrophobicContact CG-CG1 3.97Å; F246-I280 HydrophobicContact CZ-CD1 4.06Å |
| 247 | A | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E237 Y255 I272 L277 | E237-A247 HydrophobicContact CB-CB 4.42Å; E237-A247 PolarHBondContact N-O 2.96Å; E237-A247 PolarHBondContact O-N 3.25Å; A247-Y255 HydrophobicContact CB-CD1 3.89Å; A247-Y255 HydrophobicContact CB-CE1 3.73Å; A247-I272 HydrophobicContact CB-CD1 3.36Å; A247-I272 HydrophobicContact CB-CG1 4.24Å; A247-L277 HydrophobicContact CB-CD2 4.48Å |
| 248 | F | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 114.5 | -172.7 | -53.6 | -75.8 | 0 | 0 | 0 | 109.5 | V208 F210 F234 S235 F236 F246 Y255 L256 F278 I280 | V208-F248 HydrophobicContact CG2-CD1 4.2Å; V208-F248 HydrophobicContact CG2-CE1 4.41Å; F210-F248 HydrophobicContact CE1-CD1 4.35Å; F210-F248 AromaticContact CE1-CE1 3.93Å; F210-F248 HydrophobicContact CE1-CE1 3.93Å; F210-F248 HydrophobicContact CE1-CZ 4.06Å; F210-F248 HydrophobicContact CE2-CD1 4.43Å; F210-F248 HydrophobicContact CE2-CD2 4.33Å; F210-F248 HydrophobicContact CE2-CG 4.25Å; F210-F248 AromaticContact CZ-CD1 3.58Å; F210-F248 HydrophobicContact CZ-CD1 3.58Å; F210-F248 AromaticContact CZ-CD2 3.84Å; F210-F248 HydrophobicContact CZ-CD2 3.84Å; F210-F248 AromaticContact CZ-CE1 3.5Å; F210-F248 HydrophobicContact CZ-CE1 3.5Å; F210-F248 VanDerWaalsContact CZ-CE1 3.5Å; F210-F248 AromaticContact CZ-CE2 3.76Å; F210-F248 HydrophobicContact CZ-CE2 3.76Å; F210-F248 AromaticContact CZ-CG 3.74Å; F210-F248 HydrophobicContact CZ-CG 3.74Å; F210-F248 AromaticContact CZ-CZ 3.59Å; F210-F248 HydrophobicContact CZ-CZ 3.59Å; F234-F248 HydrophobicContact CB-CB 3.87Å; F234-F248 HydrophobicContact CD1-CB 4.15Å; F234-F248 HydrophobicContact CG-CB 4.14Å; S235-F248 WeakPolarHBondContact O-CA 3.23Å; F236-F248 HydrophobicContact CD2-CD1 4.2Å; F236-F248 AromaticContact CD2-CE1 3.6Å; F236-F248 HydrophobicContact CD2-CE1 3.6Å; F236-F248 AromaticContact CE2-CE1 3.79Å; F236-F248 HydrophobicContact CE2-CE1 3.79Å; F236-F248 HydrophobicContact CE2-CZ 4.46Å; F246-F248 HydrophobicContact CB-CE1 4.43Å; F246-F248 HydrophobicContact CB-CE2 4.31Å; F246-F248 HydrophobicContact CB-CZ 3.91Å; F248-Y255 CarbonylContact O-C 3.54Å; F248-Y255 WeakPolarHBondContact O-CA 3.13Å; F248-L256 HydrophobicContact CB-CB 3.94Å; F248-L256 HydrophobicContact CB-CD2 4.27Å; F248-L256 HydrophobicContact CD2-CD2 4.05Å; F248-L256 HydrophobicContact CG-CD2 4.46Å; F248-L256 PolarHBondContact O-N 3.41Å; F248-F278 AromaticContact CD2-CD2 3.66Å; F248-F278 HydrophobicContact CD2-CD2 3.66Å; F248-F278 AromaticContact CD2-CE2 3.98Å; F248-F278 HydrophobicContact CD2-CE2 3.98Å; F248-F278 HydrophobicContact CD2-CG 4.25Å; F248-F278 HydrophobicContact CE2-CB 3.86Å; F248-F278 AromaticContact CE2-CD2 3.65Å; F248-F278 HydrophobicContact CE2-CD2 3.65Å; F248-F278 HydrophobicContact CE2-CE2 4.36Å; F248-F278 AromaticContact CE2-CG 3.8Å; F248-F278 HydrophobicContact CE2-CG 3.8Å; F248-I280 HydrophobicContact CZ-CD1 4.14Å |
| 249 | R | 94 | Very high | 92.3 | Very high | 25 Ų | 25 | 31.1 Ų | 31.1 | 9% | 0.094 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.7 | -178.9 | -155.9 | -172.3 | -63.8 | 168.8 | 3.7 | 110.6 | A96 P97 R207 F234 S235 E237 G253 H254 Y255 | A96-R249 PolarHBondContact O-NH1 2.76Å; P97-R249 VanDerWaalsContact C-NH1 3.34Å; P97-R249 PolarHBondContact O-NH1 3.25Å; R207-R249 PolarHBondContact NH2-O 3.37Å; F234-R249 CarbonylContact C-O 3.56Å; F234-R249 VanDerWaalsContact CA-O 3.25Å; F234-R249 WeakPolarHBondContact CA-O 3.39Å; S235-R249 PolarHBondContact N-O 2.92Å; S235-R249 PolarHBondContact O-N 3.16Å; S235-R249 WeakPolarHBondContact OG-CA 2.99Å; S235-R249 WeakPolarHBondContact OG-CB 3.45Å; S235-R249 PolarHBondContact OG-N 3.06Å; S235-R249 VanDerWaalsContact OG-N 3.15Å; S235-R249 PolarHBondContact OG-O 2.8Å; E237-R249 IonicContact OE1-CZ 2.72Å; E237-R249 IonicContact OE1-NE 3.64Å; E237-R249 PolarHBondContact OE1-NE 2.87Å; E237-R249 IonicContact OE1-NH1 3.09Å; E237-R249 IonicContact OE1-NH2 3.39Å; E237-R249 PolarHBondContact OE1-NH2 3.16Å; E237-R249 IonicContact OE2-NH2 3.84Å; R249-G253 VanDerWaalsContact CD-C 3.47Å; R249-G253 VanDerWaalsContact CD-CA 3.45Å; R249-G253 WeakPolarHBondContact CD-O 3.46Å; R249-H254 CarbonylContact C-O 3.41Å; R249-H254 VanDerWaalsContact CA-O 3.3Å; R249-H254 WeakPolarHBondContact CA-O 3.32Å; R249-H254 WeakPolarHBondContact CG-O 3.42Å; R249-Y255 HydrophobicContact CB-CD1 4.06Å; R249-Y255 HydrophobicContact CB-CE1 3.98Å; R249-Y255 HydrophobicContact CG-CD1 4.3Å; R249-Y255 HydrophobicContact CG-CD2 4.45Å; R249-Y255 HydrophobicContact CG-CE1 4.28Å; R249-Y255 HydrophobicContact CG-CE2 4.42Å; R249-Y255 HydrophobicContact CG-CG 4.42Å; R249-Y255 VanDerWaalsContact NE-CZ 3.28Å; R249-Y255 PolarHBondContact NE-OH 3.23Å; R249-Y255 PolarHBondContact NH2-OH 2.78Å |
| 250 | D | 93.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | trans | -74 | 180 | 174.1 | 77.5 | 0.9 | 0 | 0 | 0 | 112.5 | R207 F234 T252 G253 H254 V266 | R207-D250 VanDerWaalsContact NH2-C 3.32Å; F234-D250 HydrophobicContact CD1-CB 4.37Å; F234-D250 HydrophobicContact CE1-CB 4.37Å; D250-T252 VanDerWaalsContact CG-OG1 3.23Å; D250-T252 PolarHBondContact O-N 2.92Å; D250-T252 WeakPolarHBondContact OD1-CA 3.49Å; D250-T252 PolarHBondContact OD1-N 2.84Å; D250-T252 PolarHBondContact OD1-OG1 2.81Å; D250-T252 PolarHBondContact OD2-OG1 2.89Å; D250-T252 VanDerWaalsContact OD2-OG1 3.04Å; D250-G253 PolarHBondContact O-N 3.1Å; D250-G253 PolarHBondContact OD1-N 3.42Å; D250-G253 VanDerWaalsContact OD1-N 3.13Å; D250-H254 PolarHBondContact N-O 2.89Å; D250-H254 PolarHBondContact OD1-N 2.86Å; D250-V266 HydrophobicContact CB-CG2 4.1Å | ||
| 251 | Q | 89.2 | Confident | 92.7 | Very high | 96 Ų | 96 | 32.6 Ų | 32.6 | 45% | 0.449 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.1 | 178.7 | 68.4 | -167.1 | 7.9 | 0 | 0 | 114.4 | D230 | D230-Q251 PolarHBondContact O-OE1 2.98Š|
| 252 | T | 89.1 | Confident | 93.2 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 53% | 0.528 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.4 | 179.5 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | D250 H254 | D250-T252 VanDerWaalsContact CG-OG1 3.23Å; D250-T252 PolarHBondContact O-N 2.92Å; D250-T252 WeakPolarHBondContact OD1-CA 3.49Å; D250-T252 PolarHBondContact OD1-N 2.84Å; D250-T252 PolarHBondContact OD1-OG1 2.81Å; D250-T252 PolarHBondContact OD2-OG1 2.89Å; D250-T252 VanDerWaalsContact OD2-OG1 3.04Å; T252-H254 PolarHBondContact OG1-CD2 3.08Å |
| 253 | G | 89 | Confident | 93.8 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 12% | 0.124 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 89 | 12.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R249 D250 | R249-G253 VanDerWaalsContact CD-C 3.47Å; R249-G253 VanDerWaalsContact CD-CA 3.45Å; R249-G253 WeakPolarHBondContact CD-O 3.46Å; D250-G253 PolarHBondContact O-N 3.1Å; D250-G253 PolarHBondContact OD1-N 3.42Å; D250-G253 VanDerWaalsContact OD1-N 3.13Å |
| 254 | H | 92.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 24.9 Ų | 24.9 | 20% | 0.204 | 15% | 0.151 | C | C | . | . | trans | -104.9 | 147.3 | -177.6 | -64.9 | -39.4 | 0 | 0 | 0 | 112 | R249 D250 T252 V266 | R249-H254 CarbonylContact C-O 3.41Å; R249-H254 VanDerWaalsContact CA-O 3.3Å; R249-H254 WeakPolarHBondContact CA-O 3.32Å; R249-H254 WeakPolarHBondContact CG-O 3.42Å; D250-H254 PolarHBondContact N-O 2.89Å; D250-H254 PolarHBondContact OD1-N 2.86Å; T252-H254 PolarHBondContact OG1-CD2 3.08Å; H254-V266 HydrophobicContact CB-CG1 3.13Å | ||
| 255 | Y | 95 | Very high | 94.6 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 142.4 | -173.6 | -74.9 | -82.1 | 0 | 0 | 0 | 113.5 | E237 A247 F248 R249 V266 K267 T270 I272 E276 | E237-Y255 PolarHBondContact OE1-OH 3Å; E237-Y255 PolarHBondContact OE2-OH 2.72Å; A247-Y255 HydrophobicContact CB-CD1 3.89Å; A247-Y255 HydrophobicContact CB-CE1 3.73Å; F248-Y255 CarbonylContact O-C 3.54Å; F248-Y255 WeakPolarHBondContact O-CA 3.13Å; R249-Y255 HydrophobicContact CB-CD1 4.06Å; R249-Y255 HydrophobicContact CB-CE1 3.98Å; R249-Y255 HydrophobicContact CG-CD1 4.3Å; R249-Y255 HydrophobicContact CG-CD2 4.45Å; R249-Y255 HydrophobicContact CG-CE1 4.28Å; R249-Y255 HydrophobicContact CG-CE2 4.42Å; R249-Y255 HydrophobicContact CG-CG 4.42Å; R249-Y255 VanDerWaalsContact NE-CZ 3.28Å; R249-Y255 PolarHBondContact NE-OH 3.23Å; R249-Y255 PolarHBondContact NH2-OH 2.78Å; Y255-V266 WeakPolarHBondContact O-CA 3.47Å; Y255-K267 PolarHBondContact O-N 2.82Å; Y255-T270 WeakPolarHBondContact CE2-O 3.09Å; Y255-I272 HydrophobicContact CE1-CD1 4.31Å; Y255-I272 HydrophobicContact CE2-CB 4.08Å; Y255-E276 VanDerWaalsContact CB-CG 3.5Å; Y255-E276 HydrophobicContact CG-CB 4.44Å; Y255-E276 HydrophobicContact CG-CG 4.28Å |
| 256 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.4 | 167.8 | -172.8 | 68.3 | 0 | 0 | 0 | 109.7 | F210 L218 F234 F248 A264 V266 F278 | F210-L256 HydrophobicContact CD2-CD2 4.39Å; F210-L256 HydrophobicContact CE2-CD2 3.59Å; F210-L256 HydrophobicContact CZ-CD2 4.45Å; L218-L256 HydrophobicContact CD2-CD1 4.17Å; L218-L256 HydrophobicContact CD2-CD2 4.37Å; F234-L256 HydrophobicContact CE1-CB 4.46Å; F234-L256 HydrophobicContact CE1-CD1 4.38Å; F248-L256 HydrophobicContact CB-CB 3.94Å; F248-L256 HydrophobicContact CB-CD2 4.27Å; F248-L256 HydrophobicContact CD2-CD2 4.05Å; F248-L256 HydrophobicContact CG-CD2 4.46Å; F248-L256 PolarHBondContact O-N 3.41Å; L256-A264 HydrophobicContact CD1-CB 4.43Å; L256-V266 HydrophobicContact CD1-CG2 4.43Å; L256-F278 HydrophobicContact CB-CE2 4.38Å; L256-F278 HydrophobicContact CD2-CE2 4.42Å; L256-F278 HydrophobicContact CD2-CZ 4.13Å; L256-F278 HydrophobicContact CG-CE2 4.35Å; L256-F278 HydrophobicContact CG-CZ 4.02Å; L256-F278 WeakPolarHBondContact O-CE2 3.41Å |
| 257 | T | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | -166.7 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | I259 A264 K265 K267 E275 | T257-I259 HydrophobicContact CG2-CD1 4.36Å; T257-I259 HydrophobicContact CG2-CG1 4.18Å; T257-A264 WeakPolarHBondContact O-CA 3.37Å; T257-K265 CarbonylContact C-O 3.51Å; T257-K265 PolarHBondContact N-O 2.79Å; T257-K265 PolarHBondContact O-N 3.15Å; T257-K265 VanDerWaalsContact O-O 3.1Å; T257-K267 HydrophobicContact CG2-CB 3.62Å; T257-K267 HydrophobicContact CG2-CD 4.23Å; T257-E275 WeakPolarHBondContact CB-O 3.33Å; T257-E275 PolarHBondContact OG1-O 3.47Å |
| 258 | T | 95.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.4 | 178.9 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | H145 R148 L152 A163 T263 F278 | H145-T258 HydrophobicContact CB-CG2 4.26Å; H145-T258 PolarHBondContact CD2-OG1 3.18Å; H145-T258 PolarHBondContact CE1-OG1 3.23Å; H145-T258 PolarHBondContact ND1-OG1 2.84Å; H145-T258 PolarHBondContact NE2-OG1 3.18Å; R148-T258 VanDerWaalsContact CD-OG1 3.26Å; R148-T258 WeakPolarHBondContact CD-OG1 3.43Å; R148-T258 PolarHBondContact NE-OG1 2.89Å; R148-T258 PolarHBondContact NH2-O 2.92Å; L152-T258 HydrophobicContact CD2-CG2 4.43Å; A163-T258 HydrophobicContact CB-CG2 3.6Å; T258-T263 CarbonylContact C-O 3.46Å; T258-T263 VanDerWaalsContact CA-O 3.3Å; T258-T263 WeakPolarHBondContact CA-O 3.45Å; T258-F278 HydrophobicContact CG2-CE1 4.43Å |
| 259 | I | 94.7 | Very high | 92.6 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.7 | -173.5 | -64.4 | 173.8 | 0 | 0 | 0 | 110.6 | T257 P261 G262 T263 K265 K267 | T257-I259 HydrophobicContact CG2-CD1 4.36Å; T257-I259 HydrophobicContact CG2-CG1 4.18Å; I259-P261 WeakPolarHBondContact O-CD 3.47Å; I259-G262 PolarHBondContact O-N 3.29Å; I259-T263 PolarHBondContact N-O 3.27Å; I259-T263 PolarHBondContact O-N 3.31Å; I259-K265 HydrophobicContact CD1-CD 4.19Å; I259-K265 HydrophobicContact CD1-CG 3.83Å; I259-K265 HydrophobicContact CG1-CG 4.39Å; I259-K267 HydrophobicContact CD1-CB 4.17Å; I259-K267 HydrophobicContact CD1-CG 4.38Å |
| 260 | G | 94.9 | Very high | 91.3 | Very high | 55 Ų | 55 | 44.4 Ų | 44.4 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -121.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R148 G262 | R148-G260 PolarHBondContact NH1-O 2.92Å; R148-G260 PolarHBondContact NH2-O 3.3Å; G260-G262 PolarHBondContact O-N 3.12Å |
| 261 | P | 95.4 | Very high | 90.5 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -5.6 | -178.5 | 31.8 | -36.8 | 0 | 0 | 0 | 113.7 | I259 | I259-P261 WeakPolarHBondContact O-CD 3.47Š|
| 262 | G | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 124.2 | 10.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R148 R162 A163 I259 G260 A264 | R148-G262 VanDerWaalsContact NH1-N 3.15Å; R162-G262 CarbonylContact C-O 3.44Å; R162-G262 WeakPolarHBondContact CA-O 3.42Å; A163-G262 PolarHBondContact N-O 2.83Å; I259-G262 PolarHBondContact O-N 3.29Å; G260-G262 PolarHBondContact O-N 3.12Å; G262-A264 PolarHBondContact O-N 2.86Å |
| 263 | T | 97.7 | Very high | 90.4 | Very high | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.172 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 119.8 | -178.3 | -48.8 | 0 | 0 | 0 | 0 | 110.3 | E160 T258 I259 K265 | E160-T263 HydrophobicContact CG-CG2 3.74Å; E160-T263 VanDerWaalsContact OE1-CB 3.29Å; E160-T263 WeakPolarHBondContact OE1-CB 3.49Å; E160-T263 WeakPolarHBondContact OE1-CG2 3.06Å; E160-T263 PolarHBondContact OE1-OG1 2.9Å; T258-T263 CarbonylContact C-O 3.46Å; T258-T263 VanDerWaalsContact CA-O 3.3Å; T258-T263 WeakPolarHBondContact CA-O 3.45Å; I259-T263 PolarHBondContact N-O 3.27Å; I259-T263 PolarHBondContact O-N 3.31Å; T263-K265 PolarHBondContact O-N 3.09Å |
| 264 | A | 98 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 114 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L152 L161 L218 G222 L256 T257 G262 | L152-A264 HydrophobicContact CD2-CB 3.95Å; L161-A264 HydrophobicContact CB-CB 4.2Å; L161-A264 HydrophobicContact CD2-CB 3.92Å; L161-A264 HydrophobicContact CG-CB 4.1Å; L161-A264 PolarHBondContact O-N 2.89Å; L218-A264 HydrophobicContact CD2-CB 4.33Å; G222-A264 WeakPolarHBondContact CA-O 3.43Å; L256-A264 HydrophobicContact CD1-CB 4.43Å; T257-A264 WeakPolarHBondContact O-CA 3.37Å; G262-A264 PolarHBondContact O-N 2.86Å |
| 265 | K | 96.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 53.6 Ų | 53.6 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 162.6 | 174.2 | 69.7 | -178.8 | -175.9 | 178.2 | 0 | 110.9 | T257 I259 T263 | T257-K265 CarbonylContact C-O 3.51Å; T257-K265 PolarHBondContact N-O 2.79Å; T257-K265 PolarHBondContact O-N 3.15Å; T257-K265 VanDerWaalsContact O-O 3.1Å; I259-K265 HydrophobicContact CD1-CD 4.19Å; I259-K265 HydrophobicContact CD1-CG 3.83Å; I259-K265 HydrophobicContact CG1-CG 4.39Å; T263-K265 PolarHBondContact O-N 3.09Å |
| 266 | V | 95.1 | Very high | 90.6 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 139.2 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | S220 F234 D250 H254 Y255 L256 | S220-V266 VanDerWaalsContact O-CB 3.26Å; S220-V266 WeakPolarHBondContact O-CB 3.49Å; S220-V266 WeakPolarHBondContact O-CG2 3.41Å; S220-V266 PolarHBondContact O-N 3.21Å; F234-V266 HydrophobicContact CE1-CG2 3.81Å; D250-V266 HydrophobicContact CB-CG2 4.1Å; H254-V266 HydrophobicContact CB-CG1 3.13Å; Y255-V266 WeakPolarHBondContact O-CA 3.47Å; L256-V266 HydrophobicContact CD1-CG2 4.43Å |
| 267 | K | 89.8 | Confident | 90.6 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.3 | 173.6 | -173.4 | 178.2 | 176 | -174.1 | 0 | 108.6 | Y255 T257 I259 N269 E275 | Y255-K267 PolarHBondContact O-N 2.82Å; T257-K267 HydrophobicContact CG2-CB 3.62Å; T257-K267 HydrophobicContact CG2-CD 4.23Å; I259-K267 HydrophobicContact CD1-CB 4.17Å; I259-K267 HydrophobicContact CD1-CG 4.38Å; K267-N269 PolarHBondContact O-N 3.44Å; K267-E275 IonicContact NZ-OE2 2.89Å |
| 268 | T | 81.3 | Confident | 90.7 | Very high | 120 Ų | 120 | 55 Ų | 55 | 74% | 0.736 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -68.2 | 73.2 | 172.7 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 269 | N | 72.3 | Confident | 90.7 | Very high | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | trans | -141.7 | 131.2 | 168.5 | -174.7 | 10 | 0 | 0 | 0 | 106.9 | K267 N271 | K267-N269 PolarHBondContact O-N 3.44Å; N269-N271 PolarHBondContact ND2-O 2.94Å; N269-N271 PolarHBondContact OD1-N 2.86Å | ||
| 270 | T | 66.9 | Low | 90.7 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | trans | -90.1 | -18.6 | -178.5 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | Y255 | Y255-T270 WeakPolarHBondContact CE2-O 3.09Š| ||
| 271 | N | 77.8 | Confident | 90.6 | Very high | 116 Ų | 116 | 51.5 Ų | 51.5 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -95.1 | 126.8 | -177.3 | -67.8 | -18.8 | 0 | 0 | 0 | 110.6 | N269 G273 | N269-N271 PolarHBondContact ND2-O 2.94Å; N269-N271 PolarHBondContact OD1-N 2.86Å; N271-G273 PolarHBondContact O-N 3.14Å |
| 272 | I | 85.8 | Confident | 90.4 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | trans | -70.1 | 118 | 174 | -168.8 | 175.5 | 0 | 0 | 0 | 110.2 | R239 A247 Y255 E276 L277 | R239-I272 HydrophobicContact CG-CD1 4.38Å; A247-I272 HydrophobicContact CB-CD1 3.36Å; A247-I272 HydrophobicContact CB-CG1 4.24Å; Y255-I272 HydrophobicContact CE1-CD1 4.31Å; Y255-I272 HydrophobicContact CE2-CB 4.08Å; I272-E276 HydrophobicContact CG1-CB 4.05Å; I272-L277 HydrophobicContact CD1-CD2 3.75Å; I272-L277 HydrophobicContact CG1-CD2 4.15Å | ||
| 273 | G | 89.6 | Confident | 90.2 | Very high | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | trans | -112.8 | -167.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N271 E275 E276 | N271-G273 PolarHBondContact O-N 3.14Å; G273-E275 PolarHBondContact O-N 3.05Å; G273-E276 VanDerWaalsContact CA-OE2 3.29Å; G273-E276 WeakPolarHBondContact CA-OE2 3.26Å; G273-E276 PolarHBondContact N-OE2 3.19Å; G273-E276 PolarHBondContact O-N 3.09Å | ||
| 274 | K | 92.2 | Very high | 90 | Very high | 161 Ų | 161 | 49.3 Ų | 49.3 | 70% | 0.7 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.6 | 177 | -65 | -178 | 179.8 | 179.9 | 0 | 112.9 | F147 E276 | F147-K274 WeakPolarHBondContact CB-O 3.49Å; F147-K274 HydrophobicContact CD2-CB 4.18Å; K274-E276 VanDerWaalsContact C-N 3.3Å |
| 275 | E | 94.1 | Very high | 89.9 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 35% | 0.346 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -79.1 | -10.9 | -178.7 | -63 | -173.4 | 174.1 | 0 | 0 | 113.3 | H145 F147 T257 K267 G273 | H145-E275 PolarHBondContact NE2-O 3.16Å; F147-E275 HydrophobicContact CD1-CG 3.96Å; F147-E275 HydrophobicContact CE1-CG 4.26Å; F147-E275 HydrophobicContact CG-CG 4.17Å; T257-E275 WeakPolarHBondContact CB-O 3.33Å; T257-E275 PolarHBondContact OG1-O 3.47Å; K267-E275 IonicContact NZ-OE2 2.89Å; G273-E275 PolarHBondContact O-N 3.05Å |
| 276 | E | 95.8 | Very high | 89.9 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -104 | 5.2 | 179.7 | -68.7 | 69.7 | -147 | 0 | 0 | 112.1 | Y255 I272 G273 K274 F278 | Y255-E276 VanDerWaalsContact CB-CG 3.5Å; Y255-E276 HydrophobicContact CG-CB 4.44Å; Y255-E276 HydrophobicContact CG-CG 4.28Å; I272-E276 HydrophobicContact CG1-CB 4.05Å; G273-E276 VanDerWaalsContact CA-OE2 3.29Å; G273-E276 WeakPolarHBondContact CA-OE2 3.26Å; G273-E276 PolarHBondContact N-OE2 3.19Å; G273-E276 PolarHBondContact O-N 3.09Å; K274-E276 VanDerWaalsContact C-N 3.3Å; E276-F278 WeakPolarHBondContact O-CD2 3.38Å |
| 277 | L | 96.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | trans | -99.5 | 133 | -177.3 | -62.2 | 178.7 | 0 | 0 | 0 | 112 | Q146 R239 T245 A247 I272 | Q146-L277 HydrophobicContact CB-CB 4.25Å; Q146-L277 VanDerWaalsContact CB-O 3.25Å; Q146-L277 WeakPolarHBondContact CB-O 3.27Å; Q146-L277 PolarHBondContact N-O 3.23Å; R239-L277 HydrophobicContact CG-CD2 4.31Å; T245-L277 HydrophobicContact CG2-CB 4.41Å; A247-L277 HydrophobicContact CB-CD2 4.48Å; I272-L277 HydrophobicContact CD1-CD2 3.75Å; I272-L277 HydrophobicContact CG1-CD2 4.15Å | ||
| 278 | F | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.9 | 177.7 | -59.2 | -98 | 0 | 0 | 0 | 110.4 | I143 R144 H145 L152 T245 F246 F248 L256 T258 E276 | I143-F278 HydrophobicContact CG2-CB 3.94Å; I143-F278 HydrophobicContact CG2-CD1 3.7Å; I143-F278 HydrophobicContact CG2-CG 4.14Å; R144-F278 CarbonylContact O-C 3.59Å; R144-F278 WeakPolarHBondContact O-CA 3.4Å; H145-F278 HydrophobicContact CB-CD1 4.15Å; H145-F278 HydrophobicContact CB-CE1 4.09Å; H145-F278 AromaticContact CD2-CE1 3.56Å; H145-F278 AromaticContact CD2-CZ 3.76Å; L152-F278 HydrophobicContact CD1-CD1 4.35Å; L152-F278 HydrophobicContact CD1-CE1 4.17Å; T245-F278 CarbonylContact C-O 3.44Å; T245-F278 WeakPolarHBondContact CA-O 3.43Å; F246-F278 PolarHBondContact N-O 2.82Å; F246-F278 PolarHBondContact O-N 2.73Å; F248-F278 AromaticContact CD2-CD2 3.66Å; F248-F278 HydrophobicContact CD2-CD2 3.66Å; F248-F278 AromaticContact CD2-CE2 3.98Å; F248-F278 HydrophobicContact CD2-CE2 3.98Å; F248-F278 HydrophobicContact CD2-CG 4.25Å; F248-F278 HydrophobicContact CE2-CB 3.86Å; F248-F278 AromaticContact CE2-CD2 3.65Å; F248-F278 HydrophobicContact CE2-CD2 3.65Å; F248-F278 HydrophobicContact CE2-CE2 4.36Å; F248-F278 AromaticContact CE2-CG 3.8Å; F248-F278 HydrophobicContact CE2-CG 3.8Å; L256-F278 HydrophobicContact CB-CE2 4.38Å; L256-F278 HydrophobicContact CD2-CE2 4.42Å; L256-F278 HydrophobicContact CD2-CZ 4.13Å; L256-F278 HydrophobicContact CG-CE2 4.35Å; L256-F278 HydrophobicContact CG-CZ 4.02Å; L256-F278 WeakPolarHBondContact O-CE2 3.41Å; T258-F278 HydrophobicContact CG2-CE1 4.43Å; E276-F278 WeakPolarHBondContact O-CD2 3.38Å |
| 279 | L | 96.2 | Very high | 91 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 145.8 | 161.5 | -59.5 | -179.5 | 0 | 0 | 0 | 108.8 | I143 R144 Q146 P243 G244 T245 E281 | I143-L279 WeakPolarHBondContact CA-O 3.28Å; R144-L279 HydrophobicContact CB-CB 4.21Å; R144-L279 PolarHBondContact N-O 3.12Å; R144-L279 PolarHBondContact O-N 2.84Å; Q146-L279 VanDerWaalsContact OE1-CG 3.26Å; P243-L279 HydrophobicContact CB-CD2 3.96Å; P243-L279 HydrophobicContact CG-CD1 4.17Å; P243-L279 HydrophobicContact CG-CD2 3.75Å; G244-L279 WeakPolarHBondContact O-CD2 3.33Å; T245-L279 HydrophobicContact CG2-CD2 3.64Å; L279-E281 HydrophobicContact CB-CG 4.45Å |
| 280 | I | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.7 | 168.8 | -62.1 | 171.8 | 0 | 0 | 0 | 105.8 | F10 N11 V141 H142 I177 F236 F246 F248 | F10-I280 WeakPolarHBondContact CB-O 3.49Å; F10-I280 HydrophobicContact CD1-CB 3.61Å; F10-I280 HydrophobicContact CD1-CD1 4.47Å; F10-I280 HydrophobicContact CD1-CG2 3.52Å; F10-I280 HydrophobicContact CD2-CG2 4.06Å; F10-I280 HydrophobicContact CE1-CB 3.78Å; F10-I280 HydrophobicContact CE1-CD1 3.82Å; F10-I280 HydrophobicContact CE1-CG1 4.42Å; F10-I280 HydrophobicContact CE1-CG2 3.54Å; F10-I280 HydrophobicContact CE2-CG2 4.03Å; F10-I280 HydrophobicContact CG-CB 4.26Å; F10-I280 HydrophobicContact CG-CG2 3.81Å; F10-I280 HydrophobicContact CZ-CD1 4.42Å; F10-I280 HydrophobicContact CZ-CG2 3.81Å; N11-I280 VanDerWaalsContact CG-O 3.31Å; N11-I280 PolarHBondContact ND2-O 2.78Å; N11-I280 VanDerWaalsContact ND2-O 3.13Å; N11-I280 PolarHBondContact OD1-N 2.85Å; N11-I280 PolarHBondContact OD1-O 3.39Å; V141-I280 HydrophobicContact CB-CG2 3.7Å; V141-I280 HydrophobicContact CG1-CG2 3.56Å; V141-I280 HydrophobicContact CG2-CG2 4.01Å; H142-I280 WeakPolarHBondContact O-CA 3.16Å; I177-I280 HydrophobicContact CD1-CD1 3.65Å; I177-I280 HydrophobicContact CD1-CG1 4.28Å; I177-I280 HydrophobicContact CD1-CG2 4.17Å; F236-I280 HydrophobicContact CE2-CD1 3.49Å; F236-I280 VanDerWaalsContact CE2-CD1 3.49Å; F236-I280 HydrophobicContact CZ-CD1 3.55Å; F246-I280 HydrophobicContact CB-CD1 4.09Å; F246-I280 HydrophobicContact CB-CG1 4.44Å; F246-I280 HydrophobicContact CD1-CD1 3.74Å; F246-I280 HydrophobicContact CD2-CB 3.96Å; F246-I280 HydrophobicContact CD2-CD1 3.52Å; F246-I280 HydrophobicContact CD2-CG1 3.55Å; F246-I280 HydrophobicContact CE1-CD1 4.01Å; F246-I280 HydrophobicContact CE2-CB 3.84Å; F246-I280 HydrophobicContact CE2-CD1 3.82Å; F246-I280 HydrophobicContact CE2-CG1 3.93Å; F246-I280 HydrophobicContact CG-CD1 3.48Å; F246-I280 VanDerWaalsContact CG-CD1 3.48Å; F246-I280 HydrophobicContact CG-CG1 3.97Å; F246-I280 HydrophobicContact CZ-CD1 4.06Å; F248-I280 HydrophobicContact CZ-CD1 4.14Å |
| 281 | E | 92.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 150.3 | -175.4 | -66.6 | 171.1 | -156.8 | 0 | 0 | 108.7 | V141 H142 R144 Y151 L279 | V141-E281 WeakPolarHBondContact CA-O 3.26Å; V141-E281 WeakPolarHBondContact CB-O 3.35Å; H142-E281 HydrophobicContact CB-CB 4.33Å; H142-E281 PolarHBondContact N-O 3.44Å; H142-E281 PolarHBondContact O-N 3.27Å; R144-E281 IonicContact NE-OE1 2.82Å; Y151-E281 WeakPolarHBondContact CE1-OE2 3.21Å; Y151-E281 PolarHBondContact OH-OE1 2.97Å; Y151-E281 PolarHBondContact OH-OE2 3.04Å; L279-E281 HydrophobicContact CB-CG 4.45Å |
| 282 | H | 90.4 | Very high | 94 | Very high | 44 Ų | 44 | 26.4 Ų | 26.4 | 20% | 0.204 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 145.4 | 170.3 | -71.1 | -102 | 0 | 0 | 0 | 109.2 | A284 E617 | H282-A284 PolarHBondContact O-N 3.1Å; H282-A284 VanDerWaalsContact O-N 3.14Å; H282-E617 IonicContact CE1-OE1 2.66Å; H282-E617 PolarHBondContact CE1-OE1 3.31Å; H282-E617 IonicContact ND1-OE1 2.67Å |
| 283 | V | 93.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 121.3 | -179.7 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | Q140 V141 H142 V174 R475 S574 | Q140-V283 HydrophobicContact CB-CG2 3.77Å; Q140-V283 VanDerWaalsContact O-CG2 3.26Å; Q140-V283 WeakPolarHBondContact O-CG2 3.35Å; V141-V283 VanDerWaalsContact CA-CG2 3.41Å; H142-V283 WeakPolarHBondContact NE2-CG1 3.33Å; V174-V283 HydrophobicContact CB-CG1 4.42Å; V174-V283 HydrophobicContact CG1-CG1 4.14Å; V174-V283 HydrophobicContact CG1-CG2 4.01Å; V174-V283 HydrophobicContact CG2-CG1 3.63Å; V283-R475 VanDerWaalsContact CB-NH2 3.31Å; V283-S574 PolarHBondContact O-OG 3.03Å |
| 284 | A | 93.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -60 | 144.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | H142 P168 H282 Q286 Q319 N474 R475 | H142-A284 PolarHBondContact CD2-N 3.05Å; H142-A284 PolarHBondContact NE2-N 2.93Å; P168-A284 HydrophobicContact CG-CB 4.44Å; H282-A284 PolarHBondContact O-N 3.1Å; H282-A284 VanDerWaalsContact O-N 3.14Å; A284-Q286 PolarHBondContact O-N 3.23Å; A284-Q319 HydrophobicContact CB-CG 3.82Å; A284-N474 PolarHBondContact O-ND2 2.74Å; A284-R475 PolarHBondContact O-NH1 3.46Å |
| 285 | L | 95 | Very high | 94.4 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 119.6 | 173.5 | -59.5 | 176.9 | 0 | 0 | 0 | 108 | Q319 L320 W383 L472 F570 I618 | L285-Q319 CarbonylContact O-C 3.56Å; L285-Q319 VanDerWaalsContact O-CA 3.28Å; L285-Q319 WeakPolarHBondContact O-CA 3.3Å; L285-L320 HydrophobicContact CB-CB 4.14Å; L285-L320 HydrophobicContact CD1-CD2 4.16Å; L285-L320 PolarHBondContact O-N 2.9Å; L285-W383 HydrophobicContact CD1-CZ3 4.35Å; L285-L472 HydrophobicContact CD2-CD1 4Å; L285-F570 HydrophobicContact CD1-CD1 3.5Å; L285-F570 VanDerWaalsContact CD1-CD1 3.5Å; L285-F570 HydrophobicContact CD1-CE1 3.93Å; L285-F570 HydrophobicContact CD1-CG 4.15Å; L285-F570 HydrophobicContact CD2-CD1 4.32Å; L285-F570 HydrophobicContact CD2-CE1 4.03Å; L285-I618 HydrophobicContact CD2-CD1 3.98Å |
| 286 | Q | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.9 | 168.4 | -68.8 | 167 | 36 | 0 | 0 | 109.4 | P168 G170 A284 I317 F318 T473 N474 | P168-Q286 PolarHBondContact O-NE2 3.23Å; G170-Q286 VanDerWaalsContact N-NE2 3.13Å; A284-Q286 PolarHBondContact O-N 3.23Å; Q286-I317 HydrophobicContact CB-CG2 3.81Å; Q286-I317 HydrophobicContact CG-CG2 4.37Å; Q286-F318 CarbonylContact C-O 3.54Å; Q286-F318 VanDerWaalsContact CA-O 3.31Å; Q286-F318 WeakPolarHBondContact CA-O 3.3Å; Q286-T473 VanDerWaalsContact C-OG1 3.27Å; Q286-T473 PolarHBondContact O-N 2.8Å; Q286-T473 PolarHBondContact O-OG1 3.05Å; Q286-N474 HydrophobicContact CB-CB 3.8Å; Q286-N474 HydrophobicContact CG-CB 4.14Å; Q286-N474 PolarHBondContact N-OD1 3.26Å; Q286-N474 PolarHBondContact NE2-ND2 2.88Å |
| 287 | V | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.9 | -167.9 | -58.5 | 0 | 0 | 0 | 0 | 113 | I289 F318 L320 L385 I470 I471 | V287-I289 HydrophobicContact CG2-CD1 3.94Å; V287-F318 WeakPolarHBondContact CG2-O 3.17Å; V287-F318 PolarHBondContact N-O 3.12Å; V287-F318 PolarHBondContact O-N 2.8Å; V287-L320 HydrophobicContact CG1-CB 4.09Å; V287-L320 HydrophobicContact CG1-CD2 4.41Å; V287-L320 HydrophobicContact CG2-CB 3.89Å; V287-L385 HydrophobicContact CG2-CD2 4.03Å; V287-I470 HydrophobicContact CB-CD1 4.16Å; V287-I470 HydrophobicContact CB-CG1 3.7Å; V287-I470 HydrophobicContact CG1-CD1 4.02Å; V287-I470 HydrophobicContact CG1-CG1 3.77Å; V287-I470 HydrophobicContact CG2-CD1 4Å; V287-I470 HydrophobicContact CG2-CG1 3.99Å; V287-I471 CarbonylContact C-O 3.56Å; V287-I471 WeakPolarHBondContact CA-O 3.47Å; V287-I471 WeakPolarHBondContact CB-O 3.32Å |
| 288 | G | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 140.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I470 I471 | G288-I470 WeakPolarHBondContact O-CA 3.3Å; G288-I471 PolarHBondContact N-O 3.04Å; G288-I471 PolarHBondContact O-N 2.98Å |
| 289 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.1 | 174 | -55.2 | -59.3 | 0 | 0 | 0 | 108.5 | V287 F296 A297 F318 L385 W393 F432 F468 N469 I470 | V287-I289 HydrophobicContact CG2-CD1 3.94Å; I289-F296 CarbonylContact O-C 3.6Å; I289-F296 VanDerWaalsContact O-CA 3.32Å; I289-F296 WeakPolarHBondContact O-CA 3.35Å; I289-A297 HydrophobicContact CB-CB 4.03Å; I289-A297 HydrophobicContact CG2-CB 4.29Å; I289-A297 PolarHBondContact O-N 3.33Å; I289-F318 HydrophobicContact CG1-CD2 4.4Å; I289-L385 HydrophobicContact CD1-CD2 4.29Å; I289-L385 HydrophobicContact CG1-CD2 4.33Å; I289-W393 HydrophobicContact CB-CH2 4.45Å; I289-W393 HydrophobicContact CG1-CH2 4.36Å; I289-W393 HydrophobicContact CG2-CH2 4.42Å; I289-F432 HydrophobicContact CD1-CE2 4.15Å; I289-F432 HydrophobicContact CD1-CZ 3.94Å; I289-F432 HydrophobicContact CG2-CE2 4.15Å; I289-F468 HydrophobicContact CG2-CB 4.11Å; I289-F468 HydrophobicContact CG2-CD1 3.71Å; I289-F468 HydrophobicContact CG2-CG 4.2Å; I289-N469 CarbonylContact C-O 3.44Å; I289-N469 WeakPolarHBondContact CA-O 3.43Å; I289-I470 HydrophobicContact CD1-CB 4.22Å; I289-I470 HydrophobicContact CD1-CD1 3.93Å; I289-I470 HydrophobicContact CD1-CG1 3.81Å |
| 290 | V | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.6 | -179.1 | -174 | 0 | 0 | 0 | 0 | 109.8 | K295 F296 F468 N469 I471 | V290-K295 WeakPolarHBondContact CA-O 3.4Å; V290-F296 HydrophobicContact CG2-CD1 3.52Å; V290-F296 HydrophobicContact CG2-CE1 3.27Å; V290-F296 HydrophobicContact CG2-CG 4.35Å; V290-F296 HydrophobicContact CG2-CZ 3.92Å; V290-F468 CarbonylContact O-C 3.47Å; V290-F468 WeakPolarHBondContact O-CA 3.48Å; V290-N469 HydrophobicContact CB-CB 4.21Å; V290-N469 PolarHBondContact N-O 2.86Å; V290-N469 PolarHBondContact O-N 2.79Å; V290-I471 HydrophobicContact CG2-CD1 3.72Å; V290-I471 HydrophobicContact CG2-CG1 4.37Å |
| 291 | A | 94.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | trans | -88.3 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N293 G294 K295 A307 A443 F468 | A291-N293 PolarHBondContact O-N 3.24Å; A291-G294 PolarHBondContact O-N 2.87Å; A291-K295 PolarHBondContact N-O 2.96Å; A291-A307 HydrophobicContact CB-CB 3.47Å; A291-A307 VanDerWaalsContact CB-CB 3.47Å; A291-A443 HydrophobicContact CB-CB 3.49Å; A291-A443 VanDerWaalsContact CB-CB 3.49Å; A291-F468 HydrophobicContact CB-CD1 4.18Å; A291-F468 HydrophobicContact CB-CE1 4.13Å | ||
| 292 | H | 90.5 | Very high | 94.1 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 35% | 0.347 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -23 | 177.4 | 79.3 | -85.6 | 0 | 0 | 0 | 115.6 | G294 A443 S464 | H292-G294 VanDerWaalsContact C-N 3.27Å; H292-A443 PolarHBondContact CE1-O 2.71Å; H292-A443 PolarHBondContact ND1-O 3.48Å; H292-S464 WeakPolarHBondContact CB-O 3.46Å |
| 293 | N | 91.5 | Very high | 94.2 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 5.1 | 178.9 | 66.3 | -1.8 | 0 | 0 | 0 | 113.1 | A291 K295 A307 | A291-N293 PolarHBondContact O-N 3.24Å; N293-K295 VanDerWaalsContact C-N 3.25Å; N293-K295 PolarHBondContact O-N 2.95Å; N293-K295 WeakPolarHBondContact OD1-CB 3.33Å; N293-K295 PolarHBondContact OD1-N 3.11Å; N293-A307 PolarHBondContact ND2-O 2.89Å |
| 294 | G | 90.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 36.6 Ų | 36.6 | 46% | 0.464 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 73.1 | 13 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A291 H292 | A291-G294 PolarHBondContact O-N 2.87Å; H292-G294 VanDerWaalsContact C-N 3.27Å |
| 295 | K | 94.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 36 Ų | 36 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | trans | -107.9 | 150.6 | -179.1 | -57.9 | -170 | -177 | -162.8 | 0 | 111.8 | V290 A291 N293 A307 Q309 H310 | V290-K295 WeakPolarHBondContact CA-O 3.4Å; A291-K295 PolarHBondContact N-O 2.96Å; N293-K295 VanDerWaalsContact C-N 3.25Å; N293-K295 PolarHBondContact O-N 2.95Å; N293-K295 WeakPolarHBondContact OD1-CB 3.33Å; N293-K295 PolarHBondContact OD1-N 3.11Å; K295-A307 WeakPolarHBondContact CB-O 3.45Å; K295-Q309 CarbonylContact C-O 3.51Å; K295-Q309 VanDerWaalsContact CA-O 3.32Å; K295-Q309 WeakPolarHBondContact CA-O 3.15Å; K295-Q309 WeakPolarHBondContact CB-O 3.34Å; K295-H310 PolarHBondContact NZ-NE2 2.71Å | ||
| 296 | F | 96 | Very high | 94.4 | Very high | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.1 | 177.5 | -63.5 | -83.6 | 0 | 0 | 0 | 111.8 | I289 V290 A307 N308 Q309 L312 A316 I471 | I289-F296 CarbonylContact O-C 3.6Å; I289-F296 VanDerWaalsContact O-CA 3.32Å; I289-F296 WeakPolarHBondContact O-CA 3.35Å; V290-F296 HydrophobicContact CG2-CD1 3.52Å; V290-F296 HydrophobicContact CG2-CE1 3.27Å; V290-F296 HydrophobicContact CG2-CG 4.35Å; V290-F296 HydrophobicContact CG2-CZ 3.92Å; F296-A307 CarbonylContact O-C 3.52Å; F296-A307 VanDerWaalsContact O-CA 3.32Å; F296-A307 WeakPolarHBondContact O-CA 3.34Å; F296-N308 PolarHBondContact O-N 2.87Å; F296-Q309 HydrophobicContact CB-CB 4.24Å; F296-Q309 PolarHBondContact N-O 2.72Å; F296-Q309 PolarHBondContact O-N 2.65Å; F296-L312 HydrophobicContact CD1-CD1 4.46Å; F296-L312 HydrophobicContact CD1-CD2 3.54Å; F296-L312 HydrophobicContact CD1-CG 3.85Å; F296-L312 HydrophobicContact CD2-CG 4.27Å; F296-L312 HydrophobicContact CE1-CD1 3.7Å; F296-L312 HydrophobicContact CE1-CD2 3.63Å; F296-L312 HydrophobicContact CE1-CG 3.54Å; F296-L312 HydrophobicContact CE2-CG 4Å; F296-L312 HydrophobicContact CG-CD2 4.08Å; F296-L312 HydrophobicContact CG-CG 4.21Å; F296-L312 HydrophobicContact CZ-CD1 3.75Å; F296-L312 HydrophobicContact CZ-CD2 4.25Å; F296-L312 HydrophobicContact CZ-CG 3.64Å; F296-A316 HydrophobicContact CB-CB 4.06Å; F296-I471 HydrophobicContact CE1-CD1 4Å; F296-I471 HydrophobicContact CZ-CD1 4.33Å |
| 297 | A | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 137.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | I289 I305 S306 A307 A316 F318 W393 | I289-A297 HydrophobicContact CB-CB 4.03Å; I289-A297 HydrophobicContact CG2-CB 4.29Å; I289-A297 PolarHBondContact O-N 3.33Å; A297-I305 HydrophobicContact CB-CG2 4.05Å; A297-S306 CarbonylContact C-O 3.52Å; A297-S306 WeakPolarHBondContact CA-O 3.43Å; A297-A307 HydrophobicContact CB-CB 4.49Å; A297-A316 WeakPolarHBondContact O-CA 3.41Å; A297-F318 WeakPolarHBondContact O-CE2 3.41Å; A297-W393 HydrophobicContact CB-CH2 3.73Å; A297-W393 HydrophobicContact CB-CZ2 3.93Å |
| 298 | S | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 162.6 | -175.8 | 132.5 | 0 | 0 | 0 | 0 | 112.1 | K300 S306 Q309 T315 | S298-K300 WeakPolarHBondContact OG-CB 3.4Å; S298-K300 PolarHBondContact OG-N 2.86Å; S298-S306 PolarHBondContact N-O 3.3Å; S298-S306 PolarHBondContact O-N 2.75Å; S298-S306 VanDerWaalsContact O-N 3.16Å; S298-Q309 WeakPolarHBondContact OG-CG 3.24Å; S298-Q309 PolarHBondContact OG-NE2 3.28Å; S298-T315 CarbonylContact C-O 3.39Å; S298-T315 WeakPolarHBondContact CA-O 3.24Å; S298-T315 WeakPolarHBondContact CB-O 3.47Å; S298-T315 PolarHBondContact OG-OG1 3.31Å; S298-T315 VanDerWaalsContact OG-OG1 3.05Å |
| 299 | V | 95.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -100.2 | 13 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | Q301 G302 I305 T315 F318 N403 | V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.99Å; V299-G302 PolarHBondContact O-N 2.94Å; V299-I305 HydrophobicContact CG1-CD1 3.52Å; V299-T315 WeakPolarHBondContact CG2-O 3.42Å; V299-T315 PolarHBondContact N-O 2.67Å; V299-F318 HydrophobicContact CG1-CE1 3.9Å; V299-F318 HydrophobicContact CG1-CZ 4.23Å; V299-N403 HydrophobicContact CG1-CB 3.6Å |
| 300 | K | 94.7 | Very high | 94 | Very high | 115 Ų | 115 | 46.4 Ų | 46.4 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -32.4 | -174.5 | -161.5 | 173.8 | -162.3 | 152.8 | 0 | 112.8 | S298 G302 Q309 D313 T315 | S298-K300 WeakPolarHBondContact OG-CB 3.4Å; S298-K300 PolarHBondContact OG-N 2.86Å; K300-G302 PolarHBondContact O-N 2.83Å; K300-Q309 VanDerWaalsContact CB-NE2 3.33Å; K300-D313 IonicContact NZ-OD2 3.82Å; K300-D313 PolarHBondContact NZ-OD2 2.87Å; K300-T315 HydrophobicContact CB-CG2 4.42Å |
| 301 | Q | 90.6 | Very high | 93.8 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 8.2 | 179.4 | -67.2 | 79.5 | 17.3 | 0 | 0 | 113.4 | V299 | V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.99Å |
| 302 | G | 90.6 | Very high | 93.6 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 116.5 | -138.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V299 K300 | V299-G302 PolarHBondContact O-N 2.94Å; K300-G302 PolarHBondContact O-N 2.83Å |
| 303 | I | 92 | Very high | 93.7 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.3 | -22.2 | -175.4 | 61.9 | 171.9 | 0 | 0 | 0 | 113.3 | K402 N403 T404 | I303-K402 HydrophobicContact CD1-CD 4.32Å; I303-K402 CarbonylContact O-C 3.42Å; I303-K402 WeakPolarHBondContact O-CA 3.31Å; I303-N403 PolarHBondContact O-N 3.1Å; I303-T404 HydrophobicContact CB-CG2 3.97Å; I303-T404 HydrophobicContact CD1-CG2 4.45Å; I303-T404 HydrophobicContact CG2-CG2 4.07Å |
| 304 | E | 93.8 | Very high | 93.6 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -83.1 | 136.5 | -179.3 | -64 | -173.9 | 170.1 | 0 | 0 | 110.5 | K402 | E304-K402 HydrophobicContact CG-CG 4.4Å |
| 305 | I | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | trans | -78 | 127.7 | 176.9 | -58.2 | -53.2 | 0 | 0 | 0 | 109.8 | A297 V299 W393 V401 N403 V449 | A297-I305 HydrophobicContact CB-CG2 4.05Å; V299-I305 HydrophobicContact CG1-CD1 3.52Å; I305-W393 HydrophobicContact CB-CZ2 4.47Å; I305-W393 HydrophobicContact CD1-CD2 4.17Å; I305-W393 HydrophobicContact CD1-CG 4.24Å; I305-W393 HydrophobicContact CD1-CZ2 4.21Å; I305-W393 HydrophobicContact CG1-CD2 3.88Å; I305-W393 HydrophobicContact CG1-CE3 4.39Å; I305-W393 HydrophobicContact CG1-CG 4.17Å; I305-W393 HydrophobicContact CG1-CZ2 4.22Å; I305-W393 HydrophobicContact CG2-CD2 4.39Å; I305-W393 HydrophobicContact CG2-CE3 4.41Å; I305-W393 HydrophobicContact CG2-CH2 3.48Å; I305-W393 VanDerWaalsContact CG2-CH2 3.48Å; I305-W393 HydrophobicContact CG2-CZ2 3.41Å; I305-W393 VanDerWaalsContact CG2-CZ2 3.41Å; I305-W393 HydrophobicContact CG2-CZ3 3.99Å; I305-V401 HydrophobicContact CB-CB 4.19Å; I305-V401 HydrophobicContact CB-CG1 4.25Å; I305-V401 HydrophobicContact CG1-CB 4.13Å; I305-V401 HydrophobicContact CG1-CG1 3.69Å; I305-V401 PolarHBondContact N-O 3.34Å; I305-N403 HydrophobicContact CD1-CB 3.82Å; I305-V449 HydrophobicContact CB-CB 4.21Å; I305-V449 HydrophobicContact CB-CG2 4.49Å; I305-V449 HydrophobicContact CG2-CB 3.94Å; I305-V449 HydrophobicContact CG2-CG2 3.75Å; I305-V449 PolarHBondContact O-N 2.94Å | ||
| 306 | S | 95.7 | Very high | 94 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128 | -179.1 | -159.5 | 0 | 0 | 0 | 0 | 112.5 | A297 S298 N308 G447 | A297-S306 CarbonylContact C-O 3.52Å; A297-S306 WeakPolarHBondContact CA-O 3.43Å; S298-S306 PolarHBondContact N-O 3.3Å; S298-S306 PolarHBondContact O-N 2.75Å; S298-S306 VanDerWaalsContact O-N 3.16Å; S306-N308 VanDerWaalsContact C-N 3.34Å; S306-N308 PolarHBondContact O-N 2.85Å; S306-N308 VanDerWaalsContact O-N 3.14Å; S306-N308 PolarHBondContact OG-ND2 2.79Å; S306-G447 CarbonylContact C-O 3.55Å |
| 307 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 72.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A291 N293 K295 F296 A297 G447 | A291-A307 HydrophobicContact CB-CB 3.47Å; A291-A307 VanDerWaalsContact CB-CB 3.47Å; N293-A307 PolarHBondContact ND2-O 2.89Å; K295-A307 WeakPolarHBondContact CB-O 3.45Å; F296-A307 CarbonylContact O-C 3.52Å; F296-A307 VanDerWaalsContact O-CA 3.32Å; F296-A307 WeakPolarHBondContact O-CA 3.34Å; A297-A307 HydrophobicContact CB-CB 4.49Å; A307-G447 PolarHBondContact N-O 3.08Å |
| 308 | N | 95.1 | Very high | 94 | Very high | 49 Ų | 49 | 56 Ų | 56 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | -2.2 | -173.3 | -83.6 | -35.8 | 0 | 0 | 0 | 114.8 | F296 S306 L446 | F296-N308 PolarHBondContact O-N 2.87Å; S306-N308 VanDerWaalsContact C-N 3.34Å; S306-N308 PolarHBondContact O-N 2.85Å; S306-N308 VanDerWaalsContact O-N 3.14Å; S306-N308 PolarHBondContact OG-ND2 2.79Å; N308-L446 PolarHBondContact ND2-O 3.24Å; N308-L446 PolarHBondContact OD1-O 3.31Å |
| 309 | Q | 95.1 | Very high | 94 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 141.7 | 178.9 | -54.9 | -54.7 | -30.5 | 0 | 0 | 111.9 | K295 F296 S298 K300 | K295-Q309 CarbonylContact C-O 3.51Å; K295-Q309 VanDerWaalsContact CA-O 3.32Å; K295-Q309 WeakPolarHBondContact CA-O 3.15Å; K295-Q309 WeakPolarHBondContact CB-O 3.34Å; F296-Q309 HydrophobicContact CB-CB 4.24Å; F296-Q309 PolarHBondContact N-O 2.72Å; F296-Q309 PolarHBondContact O-N 2.65Å; S298-Q309 WeakPolarHBondContact OG-CG 3.24Å; S298-Q309 PolarHBondContact OG-NE2 3.28Å; K300-Q309 VanDerWaalsContact CB-NE2 3.33Å |
| 310 | H | 92.6 | Very high | 94 | Very high | 140 Ų | 140 | 56.1 Ų | 56.1 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -88.4 | -22 | 174.5 | -70.7 | -83.9 | 0 | 0 | 0 | 112.5 | K295 | K295-H310 PolarHBondContact NZ-NE2 2.71Š|
| 311 | E | 90.1 | Very high | 94 | Very high | 152 Ų | 152 | 51.6 Ų | 51.6 | 71% | 0.71 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -125.7 | 153.9 | -174.4 | -65.5 | 176.5 | -177.3 | 0 | 0 | 110.5 | D313 | E311-D313 PolarHBondContact O-N 2.75Š|
| 312 | L | 90.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 48 Ų | 48 | 36% | 0.361 | 25% | 0.246 | S | C | . | . | trans | -82.3 | 98.8 | 170.9 | -79.8 | 163.3 | 0 | 0 | 0 | 109.5 | F296 A316 I317 T473 | F296-L312 HydrophobicContact CD1-CD1 4.46Å; F296-L312 HydrophobicContact CD1-CD2 3.54Å; F296-L312 HydrophobicContact CD1-CG 3.85Å; F296-L312 HydrophobicContact CD2-CG 4.27Å; F296-L312 HydrophobicContact CE1-CD1 3.7Å; F296-L312 HydrophobicContact CE1-CD2 3.63Å; F296-L312 HydrophobicContact CE1-CG 3.54Å; F296-L312 HydrophobicContact CE2-CG 4Å; F296-L312 HydrophobicContact CG-CD2 4.08Å; F296-L312 HydrophobicContact CG-CG 4.21Å; F296-L312 HydrophobicContact CZ-CD1 3.75Å; F296-L312 HydrophobicContact CZ-CD2 4.25Å; F296-L312 HydrophobicContact CZ-CG 3.64Å; L312-A316 HydrophobicContact CD2-CB 4.25Å; L312-I317 HydrophobicContact CD2-CG1 4.13Å; L312-T473 HydrophobicContact CD1-CG2 3.81Å; L312-T473 HydrophobicContact CD2-CG2 4.23Å | ||
| 313 | D | 91.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | trans | -104.7 | 177 | 165.7 | 68.7 | 24.1 | 0 | 0 | 0 | 110.8 | K300 E311 T315 A316 I317 | K300-D313 IonicContact NZ-OD2 3.82Å; K300-D313 PolarHBondContact NZ-OD2 2.87Å; E311-D313 PolarHBondContact O-N 2.75Å; D313-T315 PolarHBondContact O-N 3Å; D313-T315 WeakPolarHBondContact OD1-CA 3.38Å; D313-T315 VanDerWaalsContact OD1-CB 3.27Å; D313-T315 WeakPolarHBondContact OD1-CB 3.34Å; D313-T315 PolarHBondContact OD1-N 3.18Å; D313-T315 PolarHBondContact OD1-OG1 2.87Å; D313-A316 PolarHBondContact O-N 2.64Å; D313-A316 PolarHBondContact OD1-N 3.2Å; D313-I317 PolarHBondContact O-N 3.09Å | ||
| 314 | E | 90.8 | Very high | 94 | Very high | 122 Ų | 122 | 44.8 Ų | 44.8 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.5 | 179.5 | -62.5 | -173.1 | 177 | 0 | 0 | 113.8 | ||
| 315 | T | 95 | Very high | 93.5 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -15.7 | 177.6 | 80.3 | 0 | 0 | 0 | 0 | 113 | S298 V299 K300 D313 | S298-T315 CarbonylContact C-O 3.39Å; S298-T315 WeakPolarHBondContact CA-O 3.24Å; S298-T315 WeakPolarHBondContact CB-O 3.47Å; S298-T315 PolarHBondContact OG-OG1 3.31Å; S298-T315 VanDerWaalsContact OG-OG1 3.05Å; V299-T315 WeakPolarHBondContact CG2-O 3.42Å; V299-T315 PolarHBondContact N-O 2.67Å; K300-T315 HydrophobicContact CB-CG2 4.42Å; D313-T315 PolarHBondContact O-N 3Å; D313-T315 WeakPolarHBondContact OD1-CA 3.38Å; D313-T315 VanDerWaalsContact OD1-CB 3.27Å; D313-T315 WeakPolarHBondContact OD1-CB 3.34Å; D313-T315 PolarHBondContact OD1-N 3.18Å; D313-T315 PolarHBondContact OD1-OG1 2.87Å |
| 316 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -4.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F296 A297 L312 D313 F318 | F296-A316 HydrophobicContact CB-CB 4.06Å; A297-A316 WeakPolarHBondContact O-CA 3.41Å; L312-A316 HydrophobicContact CD2-CB 4.25Å; D313-A316 PolarHBondContact O-N 2.64Å; D313-A316 PolarHBondContact OD1-N 3.2Å; A316-F318 WeakPolarHBondContact O-CE2 3.42Å |
| 317 | I | 96.9 | Very high | 92 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.6 | 174.5 | -63.5 | 170.2 | 0 | 0 | 0 | 109.1 | W169 Q286 L312 D313 | W169-I317 HydrophobicContact CH2-CG2 4.35Å; W169-I317 WeakPolarHBondContact CH2-O 3.28Å; W169-I317 HydrophobicContact CZ2-CB 3.83Å; W169-I317 HydrophobicContact CZ2-CG2 3.58Å; W169-I317 WeakPolarHBondContact CZ2-O 3.48Å; Q286-I317 HydrophobicContact CB-CG2 3.81Å; Q286-I317 HydrophobicContact CG-CG2 4.37Å; L312-I317 HydrophobicContact CD2-CG1 4.13Å; D313-I317 PolarHBondContact O-N 3.09Å |
| 318 | F | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.4 | 176.2 | -56.1 | -76.9 | 0 | 0 | 0 | 110.7 | Q286 V287 I289 A297 V299 A316 L320 L385 R386 W393 | Q286-F318 CarbonylContact C-O 3.54Å; Q286-F318 VanDerWaalsContact CA-O 3.31Å; Q286-F318 WeakPolarHBondContact CA-O 3.3Å; V287-F318 WeakPolarHBondContact CG2-O 3.17Å; V287-F318 PolarHBondContact N-O 3.12Å; V287-F318 PolarHBondContact O-N 2.8Å; I289-F318 HydrophobicContact CG1-CD2 4.4Å; A297-F318 WeakPolarHBondContact O-CE2 3.41Å; V299-F318 HydrophobicContact CG1-CE1 3.9Å; V299-F318 HydrophobicContact CG1-CZ 4.23Å; A316-F318 WeakPolarHBondContact O-CE2 3.42Å; F318-L320 PolarHBondContact O-N 3.18Å; F318-L385 HydrophobicContact CB-CB 4.29Å; F318-L385 HydrophobicContact CB-CD2 3.78Å; F318-L385 HydrophobicContact CG-CD2 4.48Å; F318-R386 CarbonylContact C-O 3.55Å; F318-R386 WeakPolarHBondContact CA-O 3.44Å; F318-W393 AromaticContact CD1-NE1 3.29Å; F318-W393 VanDerWaalsContact CD1-NE1 3.29Å; F318-W393 HydrophobicContact CD2-CZ2 4.01Å; F318-W393 AromaticContact CE1-CE2 3.94Å; F318-W393 HydrophobicContact CE1-CZ2 4.19Å; F318-W393 AromaticContact CE1-NE1 3.07Å; F318-W393 AromaticContact CE2-CZ2 3.6Å; F318-W393 HydrophobicContact CE2-CZ2 3.6Å; F318-W393 HydrophobicContact CG-CZ2 4.45Å; F318-W393 AromaticContact CG-NE1 3.9Å; F318-W393 AromaticContact CZ-CE2 3.92Å; F318-W393 AromaticContact CZ-CZ2 3.7Å; F318-W393 HydrophobicContact CZ-CZ2 3.7Å; F318-W393 AromaticContact CZ-NE1 3.49Å |
| 319 | Q | 96.8 | Very high | 91 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.8 | 166.2 | -165.7 | 177.9 | -42.1 | 0 | 0 | 108.8 | W169 A284 L285 E321 L385 R386 | W169-Q319 HydrophobicContact CZ3-CB 4.1Å; A284-Q319 HydrophobicContact CB-CG 3.82Å; L285-Q319 CarbonylContact O-C 3.56Å; L285-Q319 VanDerWaalsContact O-CA 3.28Å; L285-Q319 WeakPolarHBondContact O-CA 3.3Å; Q319-E321 HydrophobicContact CB-CG 4.38Å; Q319-E321 HydrophobicContact CG-CG 3.79Å; Q319-E321 PolarHBondContact NE2-OE1 2.84Å; Q319-L385 WeakPolarHBondContact O-CA 3.45Å; Q319-R386 HydrophobicContact CB-CB 4.12Å; Q319-R386 PolarHBondContact N-O 3.23Å; Q319-R386 PolarHBondContact O-N 3.31Å |
| 320 | L | 96.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.3 | 174.4 | -177.9 | 75.9 | 0 | 0 | 0 | 108.6 | L285 V287 F318 W383 L385 I470 F570 | L285-L320 HydrophobicContact CB-CB 4.14Å; L285-L320 HydrophobicContact CD1-CD2 4.16Å; L285-L320 PolarHBondContact O-N 2.9Å; V287-L320 HydrophobicContact CG1-CB 4.09Å; V287-L320 HydrophobicContact CG1-CD2 4.41Å; V287-L320 HydrophobicContact CG2-CB 3.89Å; F318-L320 PolarHBondContact O-N 3.18Å; L320-W383 HydrophobicContact CD1-CB 4.14Å; L320-W383 HydrophobicContact CD1-CD2 4.24Å; L320-W383 HydrophobicContact CD1-CE3 3.88Å; L320-W383 HydrophobicContact CD1-CG 4.4Å; L320-W383 HydrophobicContact CD2-CD2 4.45Å; L320-W383 HydrophobicContact CD2-CE3 3.78Å; L320-W383 HydrophobicContact CD2-CH2 4.24Å; L320-W383 HydrophobicContact CD2-CZ3 3.63Å; L320-W383 HydrophobicContact CG-CD2 4.27Å; L320-W383 HydrophobicContact CG-CE3 3.47Å; L320-W383 VanDerWaalsContact CG-CE3 3.47Å; L320-W383 HydrophobicContact CG-CZ3 3.74Å; L320-L385 HydrophobicContact CD1-CD2 3.88Å; L320-L385 HydrophobicContact CD1-CG 4.38Å; L320-I470 HydrophobicContact CD1-CD1 4.14Å; L320-I470 HydrophobicContact CD2-CD1 3.61Å; L320-I470 HydrophobicContact CG-CD1 4.38Å; L320-F570 HydrophobicContact CD2-CB 4.42Å; L320-F570 HydrophobicContact CD2-CD2 4.2Å; L320-F570 HydrophobicContact CD2-CG 4.27Å |
| 321 | E | 95.1 | Very high | 90 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.1 | -172.1 | -59.4 | 173.4 | -153 | 0 | 0 | 110.2 | Q319 W383 R384 R386 | Q319-E321 HydrophobicContact CB-CG 4.38Å; Q319-E321 HydrophobicContact CG-CG 3.79Å; Q319-E321 PolarHBondContact NE2-OE1 2.84Å; E321-W383 CarbonylContact O-C 3.53Å; E321-W383 WeakPolarHBondContact O-CA 3.31Å; E321-R384 HydrophobicContact CB-CG 3.68Å; E321-R384 HydrophobicContact CG-CG 4.48Å; E321-R384 PolarHBondContact N-O 3.18Å; E321-R384 PolarHBondContact O-N 2.99Å; E321-R384 IonicContact OE2-CZ 3.98Å; E321-R384 IonicContact OE2-NE 2.98Å; E321-R384 PolarHBondContact OE2-NE 2.77Å; E321-R384 IonicContact OE2-NH2 3.74Å; E321-R384 PolarHBondContact OE2-NH2 2.82Å; E321-R386 WeakPolarHBondContact OE1-CB 3.48Å; E321-R386 IonicContact OE1-CZ 2.63Å; E321-R386 IonicContact OE1-NE 2.86Å; E321-R386 PolarHBondContact OE1-NE 3.48Å; E321-R386 IonicContact OE1-NH2 3.5Å; E321-R386 PolarHBondContact OE1-NH2 2.87Å; E321-R386 IonicContact OE2-CZ 3.69Å; E321-R386 IonicContact OE2-NE 2.76Å; E321-R386 IonicContact OE2-NH2 3.43Å; E321-R386 PolarHBondContact OE2-NH2 2.73Å |
| 322 | Y | 93.3 | Very high | 89.6 | Confident | 33 Ų | 33 | 41.7 Ų | 41.7 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 134.7 | 177.4 | -177.7 | -107 | 0 | 0 | 0 | 110.7 | G324 T380 W383 G572 H573 | Y322-G324 VanDerWaalsContact CZ-CA 3.48Å; Y322-T380 WeakPolarHBondContact CE2-O 3.4Å; Y322-W383 HydrophobicContact CD2-CD2 4Å; Y322-W383 AromaticContact CD2-CE2 3.68Å; Y322-W383 HydrophobicContact CD2-CE3 4.27Å; Y322-W383 HydrophobicContact CD2-CH2 4.1Å; Y322-W383 AromaticContact CD2-CZ2 3.73Å; Y322-W383 HydrophobicContact CD2-CZ2 3.73Å; Y322-W383 HydrophobicContact CD2-CZ3 4.34Å; Y322-W383 HydrophobicContact CE2-CZ2 4.45Å; Y322-W383 HydrophobicContact CG-CH2 4.44Å; Y322-W383 HydrophobicContact CG-CZ2 4.5Å; Y322-W383 HydrophobicContact CG-CZ3 4.45Å; Y322-G572 VanDerWaalsContact CG-CA 3.4Å; Y322-H573 AromaticContact CD1-CE1 3.48Å; Y322-H573 VanDerWaalsContact CD1-CE1 3.48Å; Y322-H573 WeakPolarHBondContact CD1-CE1 3.43Å; Y322-H573 AromaticContact CD1-ND1 3.57Å; Y322-H573 AromaticContact CE1-CE1 3.3Å; Y322-H573 WeakPolarHBondContact CE1-CE1 3.5Å; Y322-H573 AromaticContact CE1-ND1 3.55Å |
| 323 | I | 91.8 | Very high | 89.1 | Confident | 51 Ų | 51 | 39 Ų | 39 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | -22.7 | -177.6 | -56.2 | -57.9 | 0 | 0 | 0 | 111.9 | Y7 F382 R384 L413 | Y7-I323 PolarHBondContact OH-O 2.96Å; I323-F382 HydrophobicContact CB-CB 4.43Å; I323-F382 PolarHBondContact N-O 2.8Å; I323-R384 HydrophobicContact CD1-CG 4.16Å; I323-R384 HydrophobicContact CG1-CG 4.34Å; I323-L413 HydrophobicContact CB-CD2 4.27Å; I323-L413 HydrophobicContact CG1-CD2 3.77Å; I323-L413 HydrophobicContact CG2-CD2 4.22Å |
| 324 | G | 87.2 | Confident | 88.5 | Confident | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.3 | -170.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y322 F382 | Y322-G324 VanDerWaalsContact CZ-CA 3.48Å; G324-F382 WeakPolarHBondContact O-CA 3.4Å; G324-F382 VanDerWaalsContact O-CB 3.31Å; G324-F382 WeakPolarHBondContact O-CB 3.34Å; G324-F382 PolarHBondContact O-N 2.75Å |
| 325 | G | 83.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 124 | -155.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 326 | M | 78.1 | Confident | 86.5 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 59% | 0.591 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 157.4 | -174.9 | -59.3 | -59.8 | -66.2 | 0 | 0 | 112 | G381 | M326-G381 WeakPolarHBondContact O-CA 3.15Å; M326-G381 PolarHBondContact O-N 2.88Å |
| 327 | G | 83 | Confident | 85.1 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 104.2 | -159.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N329 | G327-N329 PolarHBondContact O-N 3.31Å |
| 328 | F | 85.6 | Confident | 82.8 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | trans | -64.8 | 123.1 | -179.9 | -178.8 | -92.5 | 0 | 0 | 0 | 111.2 | A330 A333 L378 T379 L571 I610 I615 | F328-A330 HydrophobicContact CE1-CB 3.98Å; F328-A333 HydrophobicContact CE2-CB 4.14Å; F328-A333 HydrophobicContact CZ-CB 3.85Å; F328-L378 HydrophobicContact CB-CD1 3.5Å; F328-L378 HydrophobicContact CD2-CD1 4.39Å; F328-L378 HydrophobicContact CG-CD1 3.93Å; F328-T379 WeakPolarHBondContact CB-O 3.5Å; F328-T379 PolarHBondContact N-O 2.86Å; F328-L571 HydrophobicContact CD1-CB 4.49Å; F328-L571 HydrophobicContact CD1-CD1 4.44Å; F328-L571 HydrophobicContact CD1-CD2 3.96Å; F328-L571 HydrophobicContact CE1-CB 4.39Å; F328-L571 HydrophobicContact CE1-CD1 3.75Å; F328-L571 HydrophobicContact CE1-CD2 4.09Å; F328-L571 HydrophobicContact CE1-CG 4.29Å; F328-I610 HydrophobicContact CD2-CB 4.38Å; F328-I610 HydrophobicContact CE1-CG2 4.37Å; F328-I610 HydrophobicContact CE2-CB 3.63Å; F328-I610 HydrophobicContact CE2-CD1 4.46Å; F328-I610 HydrophobicContact CE2-CG2 3.7Å; F328-I610 HydrophobicContact CZ-CB 3.99Å; F328-I610 HydrophobicContact CZ-CG2 3.49Å; F328-I610 VanDerWaalsContact CZ-CG2 3.49Å; F328-I615 HydrophobicContact CE1-CD1 4.36Å; F328-I615 HydrophobicContact CZ-CD1 3.97Å | ||
| 329 | N | 84.4 | Confident | 80.4 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | trans | -112 | 109.8 | 175.3 | -175.3 | -15.9 | 0 | 0 | 0 | 110 | G327 L331 E332 A333 | G327-N329 PolarHBondContact O-N 3.31Å; N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.44Å; N329-L331 WeakPolarHBondContact OD1-CB 3.37Å; N329-L331 PolarHBondContact OD1-N 3.17Å; N329-E332 HydrophobicContact CB-CB 4.13Å; N329-E332 HydrophobicContact CB-CG 4.08Å; N329-E332 PolarHBondContact ND2-OE1 2.89Å; N329-E332 PolarHBondContact O-N 2.96Å; N329-A333 PolarHBondContact O-N 2.89Å; N329-A333 VanDerWaalsContact O-N 3.12Å | ||
| 330 | A | 84.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -33.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F328 A333 I334 L571 I615 | F328-A330 HydrophobicContact CE1-CB 3.98Å; A330-A333 PolarHBondContact O-N 3Å; A330-I334 VanDerWaalsContact O-CD1 3.31Å; A330-I334 WeakPolarHBondContact O-CD1 3.2Å; A330-I334 WeakPolarHBondContact O-CG1 3.3Å; A330-I334 PolarHBondContact O-N 3.35Å; A330-L571 HydrophobicContact CB-CB 4.11Å; A330-L571 HydrophobicContact CB-CD1 4.47Å; A330-I615 HydrophobicContact CB-CD1 4.16Å; A330-I615 HydrophobicContact CB-CG2 4.39Å |
| 331 | L | 81.5 | Confident | 74.6 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 179 | -70.7 | 168.4 | 0 | 0 | 0 | 111.4 | N329 I334 A335 | N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.44Å; N329-L331 WeakPolarHBondContact OD1-CB 3.37Å; N329-L331 PolarHBondContact OD1-N 3.17Å; L331-I334 PolarHBondContact O-N 2.8Å; L331-A335 WeakPolarHBondContact O-CB 3.33Å; L331-A335 PolarHBondContact O-N 2.98Å |
| 332 | E | 81.2 | Confident | 71.5 | Confident | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 176.4 | -71.7 | 169.6 | -154.2 | 0 | 0 | 111.4 | N329 I334 A335 S336 | N329-E332 HydrophobicContact CB-CB 4.13Å; N329-E332 HydrophobicContact CB-CG 4.08Å; N329-E332 PolarHBondContact ND2-OE1 2.89Å; N329-E332 PolarHBondContact O-N 2.96Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 3.38Å; E332-A335 PolarHBondContact O-N 2.88Å; E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 3.29Å; E332-S336 PolarHBondContact O-OG 2.68Å |
| 333 | A | 81.2 | Confident | 68.5 | Low | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F328 N329 A330 S336 I615 | F328-A333 HydrophobicContact CE2-CB 4.14Å; F328-A333 HydrophobicContact CZ-CB 3.85Å; N329-A333 PolarHBondContact O-N 2.89Å; N329-A333 VanDerWaalsContact O-N 3.12Å; A330-A333 PolarHBondContact O-N 3Å; A333-S336 PolarHBondContact O-OG 2.97Å; A333-I615 HydrophobicContact CB-CD1 3.86Å |
| 334 | I | 77.9 | Confident | 65.6 | Low | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.8 | -46.9 | 174.5 | -67.6 | 161.2 | 0 | 0 | 0 | 110.6 | A330 L331 E332 S336 S337 V612 I615 | A330-I334 VanDerWaalsContact O-CD1 3.31Å; A330-I334 WeakPolarHBondContact O-CD1 3.2Å; A330-I334 WeakPolarHBondContact O-CG1 3.3Å; A330-I334 PolarHBondContact O-N 3.35Å; L331-I334 PolarHBondContact O-N 2.8Å; E332-I334 VanDerWaalsContact C-N 3.29Å; E332-I334 PolarHBondContact O-N 3.38Å; I334-S336 VanDerWaalsContact C-N 3.32Å; I334-S336 PolarHBondContact O-N 2.86Å; I334-S337 WeakPolarHBondContact O-CB 3.46Å; I334-S337 PolarHBondContact O-N 2.94Å; I334-V612 HydrophobicContact CB-CG2 4.3Å; I334-V612 HydrophobicContact CG1-CB 4.43Å; I334-V612 HydrophobicContact CG1-CG2 3.8Å; I334-V612 HydrophobicContact CG2-CG2 4.41Å; I334-I615 HydrophobicContact CD1-CG2 4.49Å; I334-I615 HydrophobicContact CG1-CD1 4.26Å |
| 335 | A | 74.5 | Confident | 63 | Low | 73 Ų | 73 | 67.2 Ų | 67.2 | 60% | 0.603 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68 | -28.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L331 E332 S337 | L331-A335 WeakPolarHBondContact O-CB 3.33Å; L331-A335 PolarHBondContact O-N 2.98Å; E332-A335 PolarHBondContact O-N 2.88Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 3.41Å |
| 336 | S | 70.6 | Confident | 60.4 | Low | 84 Ų | 84 | 70.7 Ų | 70.7 | 59% | 0.587 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -2.7 | 177.6 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | E332 A333 I334 | E332-S336 WeakPolarHBondContact O-CB 3.33Å; E332-S336 PolarHBondContact O-N 3.29Å; E332-S336 PolarHBondContact O-OG 2.68Å; A333-S336 PolarHBondContact O-OG 2.97Å; I334-S336 VanDerWaalsContact C-N 3.32Å; I334-S336 PolarHBondContact O-N 2.86Å |
| 337 | S | 65.8 | Low | 58.2 | Low | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.119 | 46% | 0.461 | C | S | . | . | trans | -61.8 | 126.4 | -178.6 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | I334 A335 A339 S340 | I334-S337 WeakPolarHBondContact O-CB 3.46Å; I334-S337 PolarHBondContact O-N 2.94Å; A335-S337 VanDerWaalsContact C-N 3.27Å; A335-S337 PolarHBondContact O-N 3.41Å; S337-A339 PolarHBondContact O-N 3.4Å; S337-S340 PolarHBondContact O-N 3.48Å; S337-S340 PolarHBondContact O-OG 2.94Å | ||
| 338 | P | 50.3 | Low | 55.6 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -61.1 | -9.9 | -176.1 | 20.4 | -30.8 | 0 | 0 | 0 | 114.6 | S340 T341 Q342 | P338-S340 PolarHBondContact O-N 3.28Å; P338-T341 PolarHBondContact O-N 3.33Å; P338-Q342 PolarHBondContact O-N 3.22Å; P338-Q342 VanDerWaalsContact O-N 3.14Å |
| 339 | A | 46.9 | Very low | 53 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -66.4 | -9.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S337 | S337-A339 PolarHBondContact O-N 3.4Š|
| 340 | S | 38.3 | Very low | 50.3 | Low | 67 Ų | 67 | 82.9 Ų | 82.9 | 47% | 0.469 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -93.1 | -13.2 | 166.8 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | S337 P338 | S337-S340 PolarHBondContact O-N 3.48Å; S337-S340 PolarHBondContact O-OG 2.94Å; P338-S340 PolarHBondContact O-N 3.28Å |
| 341 | T | 32.2 | Very low | 47.7 | Very low | 100 Ų | 100 | 87.8 Ų | 87.8 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -5.8 | -162.7 | -16.4 | 0 | 0 | 0 | 0 | 114.8 | P338 L343 | P338-T341 PolarHBondContact O-N 3.33Å; T341-L343 PolarHBondContact O-N 2.79Å; T341-L343 VanDerWaalsContact O-N 3.13Å |
| 342 | Q | 30.1 | Very low | 45.2 | Very low | 160 Ų | 160 | 93.2 Ų | 93.2 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -83.5 | 86.5 | 169.3 | -68.9 | -166.3 | -2.8 | 0 | 0 | 109.7 | P338 | P338-Q342 PolarHBondContact O-N 3.22Å; P338-Q342 VanDerWaalsContact O-N 3.14Å |
| 343 | L | 31 | Very low | 42.6 | Very low | 122 Ų | 122 | 92 Ų | 92 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | trans | 167.1 | 60.3 | 150.3 | -85.8 | 158.3 | 0 | 0 | 0 | 110.5 | V31 T341 | V31-L343 HydrophobicContact CG1-CD1 4.13Å; V31-L343 WeakPolarHBondContact O-CD1 3.33Å; T341-L343 PolarHBondContact O-N 2.79Å; T341-L343 VanDerWaalsContact O-N 3.13Å | ||
| 344 | S | 30.2 | Very low | 40 | Very low | 114 Ų | 114 | 97.2 Ų | 97.2 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -95.6 | 99.4 | 150 | 56.9 | 0 | 0 | 0 | 0 | 107.3 | S346 | S344-S346 PolarHBondContact O-N 3.37Š| ||
| 345 | G | 31.7 | Very low | 37.5 | Very low | 68 Ų | 68 | 99.6 Ų | 99.6 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | -55.1 | 134.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | D347 | G345-D347 PolarHBondContact O-N 3.43Å; G345-D347 VanDerWaalsContact O-N 3.08Å | ||
| 346 | S | 28.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 100.3 Ų | 100.3 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | trans | -61.6 | 101.4 | 173 | 51.3 | 0 | 0 | 0 | 0 | 110.2 | S344 | S344-S346 PolarHBondContact O-N 3.37Š| ||
| 347 | D | 32.1 | Very low | 33.3 | Very low | 167 Ų | 167 | 104.4 Ų | 104.4 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -87.9 | 123.5 | 153.4 | -100.1 | -17 | 0 | 0 | 0 | 108.1 | G345 G349 | G345-D347 PolarHBondContact O-N 3.43Å; G345-D347 VanDerWaalsContact O-N 3.08Å; D347-G349 PolarHBondContact O-N 3.18Å | ||
| 348 | G | 28.5 | Very low | 31.3 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -64.7 | 125.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 349 | G | 30.6 | Very low | 30.3 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -148.3 | 124.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109 | D347 | D347-G349 PolarHBondContact O-N 3.18Š| ||
| 350 | V | 28.8 | Very low | 29.4 | Very low | 140 Ų | 140 | 115.9 Ų | 115.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -78.7 | 152 | -176.9 | 172.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 351 | S | 29.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 76.8 | 135 | 173.7 | 68.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 352 | D | 28.6 | Very low | 28.7 | Very low | 151 Ų | 151 | 121.4 Ų | 121.4 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | cis | -146 | 162 | 25.3 | -112.4 | -24.2 | 0 | 0 | 0 | 112.8 | ||||
| 353 | S | 27.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 121 Ų | 121 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -62 | 152.7 | 174.6 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 354 | S | 25.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | 78.5 | 68.4 | 174.2 | 74.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 355 | A | 26.9 | Very low | 28.4 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -120.9 | 93.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N357 | A355-N357 PolarHBondContact O-N 3.04Š| ||
| 356 | S | 27.3 | Very low | 28.3 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -53.4 | 134.4 | 157.8 | 42.7 | 0 | 0 | 0 | 0 | 108.5 | T358 | S356-T358 PolarHBondContact O-N 3.24Å; S356-T358 PolarHBondContact O-OG1 3.15Å | ||
| 357 | N | 28.9 | Very low | 29 | Very low | 169 Ų | 169 | 121.9 Ų | 121.9 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -55.9 | 86.8 | 169.8 | -81.9 | -30.6 | 0 | 0 | 0 | 109.5 | A355 | A355-N357 PolarHBondContact O-N 3.04Š| ||
| 358 | T | 24.1 | Very low | 29.8 | Very low | 116 Ų | 116 | 114 Ų | 114 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -101.4 | 69 | 174 | 40.9 | 0 | 0 | 0 | 0 | 107.1 | S356 L360 | S356-T358 PolarHBondContact O-N 3.24Å; S356-T358 PolarHBondContact O-OG1 3.15Å; T358-L360 VanDerWaalsContact C-N 3.27Å; T358-L360 PolarHBondContact O-N 2.7Å; T358-L360 VanDerWaalsContact O-N 3.15Å | ||
| 359 | S | 29.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -80.9 | 85.3 | 161.6 | 47 | 0 | 0 | 0 | 0 | 108.3 | I361 | S359-I361 VanDerWaalsContact C-N 3.32Å; S359-I361 PolarHBondContact O-N 3.49Å | ||
| 360 | L | 27.8 | Very low | 32.3 | Very low | 164 Ų | 164 | 112 Ų | 112 | 86% | 0.859 | 67% | 0.671 | S | S | * | * | trans | 39.8 | 43 | 138.4 | -61.8 | 165.9 | 0 | 0 | 0 | 118.6 | T358 N362 | T358-L360 VanDerWaalsContact C-N 3.27Å; T358-L360 PolarHBondContact O-N 2.7Å; T358-L360 VanDerWaalsContact O-N 3.15Å; L360-N362 PolarHBondContact O-N 2.87Å; L360-N362 VanDerWaalsContact O-N 3.16Å | ||
| 361 | I | 28.1 | Very low | 33.7 | Very low | 143 Ų | 143 | 109.6 Ų | 109.6 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | trans | -71 | 103.3 | 147.6 | -58.9 | 174.8 | 0 | 0 | 0 | 105.1 | S359 N363 | S359-I361 VanDerWaalsContact C-N 3.32Å; S359-I361 PolarHBondContact O-N 3.49Å; I361-N363 VanDerWaalsContact C-N 3.35Å; I361-N363 PolarHBondContact O-N 3.1Å | ||
| 362 | N | 27.7 | Very low | 35.2 | Very low | 139 Ų | 139 | 108.7 Ų | 108.7 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | trans | -52.2 | 104.8 | 163.7 | -97.6 | -25.2 | 0 | 0 | 0 | 107.6 | L360 N364 | L360-N362 PolarHBondContact O-N 2.87Å; L360-N362 VanDerWaalsContact O-N 3.16Å; N362-N364 PolarHBondContact O-N 2.89Å | ||
| 363 | N | 24.6 | Very low | 36.6 | Very low | 152 Ų | 152 | 105.6 Ų | 105.6 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -69.2 | 37.3 | 172.4 | -90.4 | -19.9 | 0 | 0 | 0 | 112.5 | I361 | I361-N363 VanDerWaalsContact C-N 3.35Å; I361-N363 PolarHBondContact O-N 3.1Å |
| 364 | N | 26.6 | Very low | 38.7 | Very low | 130 Ų | 130 | 104.3 Ų | 104.3 | 70% | 0.695 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -135 | 100.1 | 167.1 | -79.7 | -32.8 | 0 | 0 | 0 | 107.8 | N362 | N362-N364 PolarHBondContact O-N 2.89Š|
| 365 | H | 32.4 | Very low | 41 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | trans | 82.4 | 82.2 | 170.1 | -63 | -60.4 | 0 | 0 | 0 | 118 | I367 | H365-I367 VanDerWaalsContact C-N 3.33Å; H365-I367 HydrophobicContact CB-CD1 3.69Å; H365-I367 HydrophobicContact CB-CG1 3.79Å; H365-I367 PolarHBondContact O-N 3.07Å | ||
| 366 | S | 31.4 | Very low | 43.4 | Very low | 101 Ų | 101 | 94.7 Ų | 94.7 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | -55.6 | 105.2 | 127.4 | 169.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 367 | I | 41.8 | Very low | 46.1 | Very low | 73 Ų | 73 | 90.5 Ų | 90.5 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -130.2 | 87.7 | 157.8 | -61.5 | 163.1 | 0 | 0 | 0 | 104 | H365 | H365-I367 VanDerWaalsContact C-N 3.33Å; H365-I367 HydrophobicContact CB-CD1 3.69Å; H365-I367 HydrophobicContact CB-CG1 3.79Å; H365-I367 PolarHBondContact O-N 3.07Å |
| 368 | T | 49.7 | Very low | 48.9 | Very low | 3 Ų | 3 | 82.5 Ų | 82.5 | 2% | 0.018 | 47% | 0.468 | C | S | . | . | S | Bend | trans | 87.8 | 8.8 | 169.4 | 79.4 | 0 | 0 | 0 | 0 | 122.2 | G370 F377 L378 T379 L417 D457 E458 | T368-G370 PolarHBondContact O-N 2.93Å; T368-F377 HydrophobicContact CG2-CB 4.4Å; T368-F377 CarbonylContact O-C 3.58Å; T368-F377 VanDerWaalsContact O-CB 3.23Å; T368-F377 WeakPolarHBondContact O-CB 3.25Å; T368-L378 PolarHBondContact O-N 3.13Å; T368-T379 WeakPolarHBondContact OG1-CB 3.02Å; T368-T379 PolarHBondContact OG1-OG1 3.37Å; T368-L417 HydrophobicContact CG2-CD1 3.59Å; T368-L417 HydrophobicContact CG2-CD2 4.23Å; T368-L417 WeakPolarHBondContact OG1-CD1 3.49Å; T368-D457 HydrophobicContact CG2-CB 4.31Å; T368-E458 WeakPolarHBondContact CA-OE2 3.43Å; T368-E458 WeakPolarHBondContact CG2-OE2 3.31Å; T368-E458 PolarHBondContact N-OE1 3.04Å; T368-E458 PolarHBondContact N-OE2 2.71Å; T368-E458 VanDerWaalsContact N-OE2 3.14Å |
| 369 | N | 56.6 | Low | 52 | Low | 84 Ų | 84 | 77 Ų | 77 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -93.6 | 77.2 | 167.7 | -73.7 | -7.3 | 0 | 0 | 0 | 109.6 | T379 | N369-T379 PolarHBondContact OD1-N 2.81Š|
| 370 | G | 55.9 | Low | 54.7 | Low | 34 Ų | 34 | 72.1 Ų | 72.1 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 167 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | T368 F377 | T368-G370 PolarHBondContact O-N 2.93Å; G370-F377 PolarHBondContact O-N 3.23Å; G370-F377 VanDerWaalsContact O-N 3.13Å |
| 371 | V | 56.5 | Low | 57.6 | Low | 89 Ų | 89 | 64.4 Ų | 64.4 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.7 | 172 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | V375 Y376 I422 | V371-V375 WeakPolarHBondContact CA-O 3.43Å; V371-Y376 HydrophobicContact CG2-CD2 4.12Å; V371-I422 HydrophobicContact CB-CD1 4.49Å; V371-I422 HydrophobicContact CG1-CD1 3.54Å; V371-I422 HydrophobicContact CG2-CD1 4.15Å |
| 372 | H | 60.8 | Low | 60.7 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 39% | 0.389 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.2 | 174.3 | -175.1 | -88.8 | 0 | 0 | 0 | 109.8 | D374 V375 E458 | H372-D374 PolarHBondContact O-N 3.2Å; H372-V375 PolarHBondContact N-O 2.98Å; H372-V375 WeakPolarHBondContact O-CA 3.13Å; H372-V375 WeakPolarHBondContact O-CB 3.23Å; H372-V375 PolarHBondContact O-N 2.78Å; H372-E458 HydrophobicContact CB-CB 3.92Å; H372-E458 PolarHBondContact CE1-O 2.8Å; H372-E458 PolarHBondContact ND1-O 3.43Å |
| 373 | S | 59.8 | Low | 63.9 | Low | 86 Ų | 86 | 53.2 Ų | 53.2 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 47.8 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 114.8 | V375 | S373-V375 PolarHBondContact O-N 2.95Š|
| 374 | D | 70.2 | Confident | 67.4 | Low | 75 Ų | 75 | 48.2 Ų | 48.2 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 26.2 | -173.3 | -60.7 | -24.5 | 0 | 0 | 0 | 113.6 | H372 I422 N423 | H372-D374 PolarHBondContact O-N 3.2Å; D374-I422 HydrophobicContact CB-CB 4.32Å; D374-I422 WeakPolarHBondContact O-CB 3.38Å; D374-I422 WeakPolarHBondContact O-CG1 3.49Å; D374-I422 PolarHBondContact O-N 2.9Å; D374-N423 PolarHBondContact OD2-ND2 3.42Å |
| 375 | V | 73.9 | Confident | 70.7 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.3 | 172.5 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | V371 H372 S373 F377 V419 N420 K421 L461 | V371-V375 WeakPolarHBondContact CA-O 3.43Å; H372-V375 PolarHBondContact N-O 2.98Å; H372-V375 WeakPolarHBondContact O-CA 3.13Å; H372-V375 WeakPolarHBondContact O-CB 3.23Å; H372-V375 PolarHBondContact O-N 2.78Å; S373-V375 PolarHBondContact O-N 2.95Å; V375-F377 HydrophobicContact CB-CD2 4.33Å; V375-F377 HydrophobicContact CB-CE2 3.67Å; V375-F377 HydrophobicContact CB-CZ 4.19Å; V375-F377 HydrophobicContact CG1-CD2 4.02Å; V375-F377 HydrophobicContact CG1-CE1 4.24Å; V375-F377 HydrophobicContact CG1-CE2 3.44Å; V375-F377 VanDerWaalsContact CG1-CE2 3.44Å; V375-F377 HydrophobicContact CG1-CZ 3.58Å; V375-V419 HydrophobicContact CG1-CG1 3.6Å; V375-N420 CarbonylContact C-O 3.4Å; V375-N420 WeakPolarHBondContact CA-O 3.22Å; V375-N420 WeakPolarHBondContact CG1-O 3.34Å; V375-K421 HydrophobicContact CG2-CG 4.06Å; V375-L461 HydrophobicContact CB-CD2 4.4Å; V375-L461 HydrophobicContact CG2-CD2 4.05Å |
| 376 | Y | 78.4 | Confident | 73.8 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 131.5 | 170.5 | 173.6 | -98.8 | 0 | 0 | 0 | 109.7 | V371 L378 N420 I589 I610 | V371-Y376 HydrophobicContact CG2-CD2 4.12Å; Y376-L378 HydrophobicContact CD1-CB 4.36Å; Y376-L378 HydrophobicContact CE1-CB 3.45Å; Y376-L378 VanDerWaalsContact CE1-CB 3.45Å; Y376-L378 HydrophobicContact CE1-CD2 4.32Å; Y376-L378 HydrophobicContact CE1-CG 4.45Å; Y376-N420 PolarHBondContact N-O 2.84Å; Y376-N420 PolarHBondContact O-N 3.17Å; Y376-I589 HydrophobicContact CD1-CD1 3.47Å; Y376-I589 VanDerWaalsContact CD1-CD1 3.47Å; Y376-I589 HydrophobicContact CD2-CD1 3.38Å; Y376-I589 HydrophobicContact CE1-CD1 3.72Å; Y376-I589 HydrophobicContact CE2-CD1 3.67Å; Y376-I589 HydrophobicContact CG-CD1 3.25Å; Y376-I589 HydrophobicContact CG-CG1 4.41Å; Y376-I610 WeakPolarHBondContact OH-CD1 3.13Å |
| 377 | F | 84.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.2 | 170.3 | -64.9 | -90.5 | 0 | 0 | 0 | 110.3 | T368 G370 V375 L417 T418 V419 E458 L461 | T368-F377 HydrophobicContact CG2-CB 4.4Å; T368-F377 CarbonylContact O-C 3.58Å; T368-F377 VanDerWaalsContact O-CB 3.23Å; T368-F377 WeakPolarHBondContact O-CB 3.25Å; G370-F377 PolarHBondContact O-N 3.23Å; G370-F377 VanDerWaalsContact O-N 3.13Å; V375-F377 HydrophobicContact CB-CD2 4.33Å; V375-F377 HydrophobicContact CB-CE2 3.67Å; V375-F377 HydrophobicContact CB-CZ 4.19Å; V375-F377 HydrophobicContact CG1-CD2 4.02Å; V375-F377 HydrophobicContact CG1-CE1 4.24Å; V375-F377 HydrophobicContact CG1-CE2 3.44Å; V375-F377 VanDerWaalsContact CG1-CE2 3.44Å; V375-F377 HydrophobicContact CG1-CZ 3.58Å; F377-L417 HydrophobicContact CB-CD1 4Å; F377-L417 HydrophobicContact CD1-CD1 3.87Å; F377-L417 HydrophobicContact CD1-CD2 3.89Å; F377-L417 HydrophobicContact CD1-CG 4.04Å; F377-L417 HydrophobicContact CE1-CD2 4.23Å; F377-L417 HydrophobicContact CG-CD1 4.44Å; F377-T418 WeakPolarHBondContact CA-O 3.48Å; F377-V419 HydrophobicContact CD1-CB 4.43Å; F377-V419 HydrophobicContact CD1-CG1 4.23Å; F377-V419 HydrophobicContact CD1-CG2 3.84Å; F377-V419 HydrophobicContact CE1-CB 4.31Å; F377-V419 HydrophobicContact CE1-CG1 3.74Å; F377-V419 HydrophobicContact CE1-CG2 3.75Å; F377-V419 HydrophobicContact CZ-CG1 4.21Å; F377-E458 HydrophobicContact CD2-CB 4.41Å; F377-E458 HydrophobicContact CE2-CB 4.4Å; F377-L461 HydrophobicContact CE2-CD2 4.21Å; F377-L461 HydrophobicContact CZ-CD2 3.71Å |
| 378 | L | 87.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 113 | 172.1 | 173.4 | 69.1 | 0 | 0 | 0 | 109.7 | F328 T368 Y376 T380 T418 L571 L577 I610 | F328-L378 HydrophobicContact CB-CD1 3.5Å; F328-L378 HydrophobicContact CD2-CD1 4.39Å; F328-L378 HydrophobicContact CG-CD1 3.93Å; T368-L378 PolarHBondContact O-N 3.13Å; Y376-L378 HydrophobicContact CD1-CB 4.36Å; Y376-L378 HydrophobicContact CE1-CB 3.45Å; Y376-L378 VanDerWaalsContact CE1-CB 3.45Å; Y376-L378 HydrophobicContact CE1-CD2 4.32Å; Y376-L378 HydrophobicContact CE1-CG 4.45Å; L378-T380 HydrophobicContact CD2-CG2 4.2Å; L378-T380 HydrophobicContact CG-CG2 4.01Å; L378-T418 PolarHBondContact N-O 2.92Å; L378-T418 WeakPolarHBondContact O-CB 3.39Å; L378-T418 PolarHBondContact O-N 3.31Å; L378-L571 HydrophobicContact CD2-CD2 3.99Å; L378-L577 HydrophobicContact CD2-CD1 3.93Å; L378-I610 HydrophobicContact CD1-CD1 3.91Å; L378-I610 HydrophobicContact CD2-CD1 3.95Å |
| 379 | T | 89.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.2 | 172.2 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | F328 T368 N369 E415 L417 R433 | F328-T379 WeakPolarHBondContact CB-O 3.5Å; F328-T379 PolarHBondContact N-O 2.86Å; T368-T379 WeakPolarHBondContact OG1-CB 3.02Å; T368-T379 PolarHBondContact OG1-OG1 3.37Å; N369-T379 PolarHBondContact OD1-N 2.81Å; T379-E415 VanDerWaalsContact CG2-CD 3.4Å; T379-E415 HydrophobicContact CG2-CG 3.5Å; T379-E415 WeakPolarHBondContact CG2-OE1 3.3Å; T379-L417 WeakPolarHBondContact OG1-CD1 3.39Å; T379-R433 PolarHBondContact OG1-NH2 3.16Å; T379-R433 VanDerWaalsContact OG1-NH2 3.16Å |
| 380 | T | 86.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 54.3 | -176.4 | 54.9 | 0 | 0 | 0 | 0 | 112.1 | Y322 L378 W383 M416 F570 L571 | Y322-T380 WeakPolarHBondContact CE2-O 3.4Å; L378-T380 HydrophobicContact CD2-CG2 4.2Å; L378-T380 HydrophobicContact CG-CG2 4.01Å; T380-W383 PolarHBondContact O-NE1 3.38Å; T380-W383 PolarHBondContact OG1-NE1 2.8Å; T380-W383 VanDerWaalsContact OG1-NE1 3.15Å; T380-M416 PolarHBondContact N-O 3Å; T380-M416 WeakPolarHBondContact OG1-CE 3.32Å; T380-M416 PolarHBondContact OG1-O 3.25Å; T380-F570 WeakPolarHBondContact CG2-O 3.47Å; T380-L571 HydrophobicContact CG2-CD2 3.88Å |
| 381 | G | 89.1 | Confident | 85.1 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 62.2 | -167.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | M326 E415 M416 | M326-G381 WeakPolarHBondContact O-CA 3.15Å; M326-G381 PolarHBondContact O-N 2.88Å; G381-E415 WeakPolarHBondContact O-CA 3.33Å; G381-M416 PolarHBondContact O-N 3.07Å |
| 382 | F | 93.2 | Very high | 87.1 | Confident | 46 Ų | 46 | 28.9 Ų | 28.9 | 20% | 0.202 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138 | 177.2 | -62.6 | -61.6 | 0 | 0 | 0 | 112 | I323 G324 L413 F414 E415 N435 | I323-F382 HydrophobicContact CB-CB 4.43Å; I323-F382 PolarHBondContact N-O 2.8Å; G324-F382 WeakPolarHBondContact O-CA 3.4Å; G324-F382 VanDerWaalsContact O-CB 3.31Å; G324-F382 WeakPolarHBondContact O-CB 3.34Å; G324-F382 PolarHBondContact O-N 2.75Å; F382-L413 HydrophobicContact CB-CB 4.31Å; F382-L413 HydrophobicContact CD1-CB 4.31Å; F382-L413 HydrophobicContact CG-CB 4.41Å; F382-F414 CarbonylContact C-O 3.46Å; F382-F414 WeakPolarHBondContact CA-O 3.44Å; F382-E415 HydrophobicContact CD1-CB 4.06Å; F382-E415 HydrophobicContact CE1-CB 4.03Å; F382-N435 HydrophobicContact CD1-CB 4.44Å; F382-N435 HydrophobicContact CE1-CB 4.06Å |
| 383 | W | 95.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 158.8 | 177.1 | -60.4 | 83.9 | 0 | 0 | 0 | 110 | L285 L320 E321 Y322 T380 L413 F414 M416 F570 G572 | L285-W383 HydrophobicContact CD1-CZ3 4.35Å; L320-W383 HydrophobicContact CD1-CB 4.14Å; L320-W383 HydrophobicContact CD1-CD2 4.24Å; L320-W383 HydrophobicContact CD1-CE3 3.88Å; L320-W383 HydrophobicContact CD1-CG 4.4Å; L320-W383 HydrophobicContact CD2-CD2 4.45Å; L320-W383 HydrophobicContact CD2-CE3 3.78Å; L320-W383 HydrophobicContact CD2-CH2 4.24Å; L320-W383 HydrophobicContact CD2-CZ3 3.63Å; L320-W383 HydrophobicContact CG-CD2 4.27Å; L320-W383 HydrophobicContact CG-CE3 3.47Å; L320-W383 VanDerWaalsContact CG-CE3 3.47Å; L320-W383 HydrophobicContact CG-CZ3 3.74Å; E321-W383 CarbonylContact O-C 3.53Å; E321-W383 WeakPolarHBondContact O-CA 3.31Å; Y322-W383 HydrophobicContact CD2-CD2 4Å; Y322-W383 AromaticContact CD2-CE2 3.68Å; Y322-W383 HydrophobicContact CD2-CE3 4.27Å; Y322-W383 HydrophobicContact CD2-CH2 4.1Å; Y322-W383 AromaticContact CD2-CZ2 3.73Å; Y322-W383 HydrophobicContact CD2-CZ2 3.73Å; Y322-W383 HydrophobicContact CD2-CZ3 4.34Å; Y322-W383 HydrophobicContact CE2-CZ2 4.45Å; Y322-W383 HydrophobicContact CG-CH2 4.44Å; Y322-W383 HydrophobicContact CG-CZ2 4.5Å; Y322-W383 HydrophobicContact CG-CZ3 4.45Å; T380-W383 PolarHBondContact O-NE1 3.38Å; T380-W383 PolarHBondContact OG1-NE1 2.8Å; T380-W383 VanDerWaalsContact OG1-NE1 3.15Å; W383-L413 WeakPolarHBondContact O-CA 3.28Å; W383-F414 PolarHBondContact N-O 2.96Å; W383-F414 PolarHBondContact O-N 2.59Å; W383-M416 VanDerWaalsContact CD1-CB 3.46Å; W383-M416 HydrophobicContact CD2-CE 4.26Å; W383-M416 HydrophobicContact CG-CB 4.31Å; W383-M416 HydrophobicContact CH2-CE 4.45Å; W383-M416 HydrophobicContact CZ2-CE 3.71Å; W383-F570 HydrophobicContact CH2-CB 3.79Å; W383-F570 HydrophobicContact CZ2-CB 4.12Å; W383-G572 VanDerWaalsContact CH2-CA 3.46Å; W383-G572 VanDerWaalsContact CH2-N 3.25Å |
| 384 | R | 96.3 | Very high | 90.5 | Very high | 46 Ų | 46 | 22.7 Ų | 22.7 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.5 | 166.8 | 65.2 | -176.8 | -177.6 | -169.8 | -2.5 | 110.2 | E321 I323 R386 L392 D407 | E321-R384 HydrophobicContact CB-CG 3.68Å; E321-R384 HydrophobicContact CG-CG 4.48Å; E321-R384 PolarHBondContact N-O 3.18Å; E321-R384 PolarHBondContact O-N 2.99Å; E321-R384 IonicContact OE2-CZ 3.98Å; E321-R384 IonicContact OE2-NE 2.98Å; E321-R384 PolarHBondContact OE2-NE 2.77Å; E321-R384 IonicContact OE2-NH2 3.74Å; E321-R384 PolarHBondContact OE2-NH2 2.82Å; I323-R384 HydrophobicContact CD1-CG 4.16Å; I323-R384 HydrophobicContact CG1-CG 4.34Å; R384-R386 VanDerWaalsContact CZ-NH2 3.3Å; R384-L392 HydrophobicContact CB-CD2 4.12Å; R384-L392 HydrophobicContact CG-CD2 3.94Å; R384-D407 IonicContact CZ-OD1 3.33Å; R384-D407 IonicContact NH1-OD1 2.75Å; R384-D407 PolarHBondContact NH1-OD1 2.85Å |
| 385 | L | 97.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.2 | 179.5 | -73.4 | 157.1 | 0 | 0 | 0 | 109.1 | V287 I289 F318 Q319 L320 L392 W393 F432 | V287-L385 HydrophobicContact CG2-CD2 4.03Å; I289-L385 HydrophobicContact CD1-CD2 4.29Å; I289-L385 HydrophobicContact CG1-CD2 4.33Å; F318-L385 HydrophobicContact CB-CB 4.29Å; F318-L385 HydrophobicContact CB-CD2 3.78Å; F318-L385 HydrophobicContact CG-CD2 4.48Å; Q319-L385 WeakPolarHBondContact O-CA 3.45Å; L320-L385 HydrophobicContact CD1-CD2 3.88Å; L320-L385 HydrophobicContact CD1-CG 4.38Å; L385-L392 WeakPolarHBondContact O-CA 3.22Å; L385-W393 HydrophobicContact CB-CB 4.1Å; L385-W393 HydrophobicContact CB-CD2 3.95Å; L385-W393 HydrophobicContact CB-CG 3.72Å; L385-W393 HydrophobicContact CD1-CD2 3.72Å; L385-W393 HydrophobicContact CD1-CE3 3.49Å; L385-W393 VanDerWaalsContact CD1-CE3 3.49Å; L385-W393 HydrophobicContact CD1-CG 4.31Å; L385-W393 HydrophobicContact CD1-CH2 4.17Å; L385-W393 HydrophobicContact CD1-CZ2 4.37Å; L385-W393 HydrophobicContact CD1-CZ3 3.74Å; L385-W393 HydrophobicContact CG-CD2 4.49Å; L385-W393 PolarHBondContact O-N 2.85Å; L385-F432 HydrophobicContact CD1-CE1 4.17Å; L385-F432 HydrophobicContact CD1-CE2 4.44Å; L385-F432 HydrophobicContact CD1-CZ 3.95Å |
| 386 | R | 97 | Very high | 92 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 2% | 0.023 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.2 | 177.9 | -167.4 | -173.5 | -59.4 | -78.3 | -4.9 | 111.2 | W169 F318 Q319 E321 R384 G390 K391 L392 D407 | W169-R386 WeakPolarHBondContact CH2-O 3.17Å; F318-R386 CarbonylContact C-O 3.55Å; F318-R386 WeakPolarHBondContact CA-O 3.44Å; Q319-R386 HydrophobicContact CB-CB 4.12Å; Q319-R386 PolarHBondContact N-O 3.23Å; Q319-R386 PolarHBondContact O-N 3.31Å; E321-R386 WeakPolarHBondContact OE1-CB 3.48Å; E321-R386 IonicContact OE1-CZ 2.63Å; E321-R386 IonicContact OE1-NE 2.86Å; E321-R386 PolarHBondContact OE1-NE 3.48Å; E321-R386 IonicContact OE1-NH2 3.5Å; E321-R386 PolarHBondContact OE1-NH2 2.87Å; E321-R386 IonicContact OE2-CZ 3.69Å; E321-R386 IonicContact OE2-NE 2.76Å; E321-R386 IonicContact OE2-NH2 3.43Å; E321-R386 PolarHBondContact OE2-NH2 2.73Å; R384-R386 VanDerWaalsContact CZ-NH2 3.3Å; R386-G390 PolarHBondContact NH1-O 2.89Å; R386-K391 CarbonylContact C-O 3.57Å; R386-K391 WeakPolarHBondContact CA-O 3.41Å; R386-L392 HydrophobicContact CB-CD2 3.64Å; R386-L392 HydrophobicContact CG-CD2 4.01Å; R386-D407 IonicContact CZ-OD1 3.8Å; R386-D407 IonicContact NH1-OD1 3.31Å; R386-D407 PolarHBondContact NH1-OD1 3.25Å; R386-D407 IonicContact NH1-OD2 2.71Å; R386-D407 IonicContact NH2-OD1 2.86Å; R386-D407 PolarHBondContact NH2-OD1 3.37Å; R386-D407 IonicContact NH2-OD2 3.69Å |
| 387 | S | 96.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 165.1 | 170 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | W169 S389 G390 K391 N403 | W169-S387 VanDerWaalsContact CH2-C 3.46Å; S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 PolarHBondContact OG-OG 2.79Å; S387-G390 PolarHBondContact O-N 2.81Å; S387-K391 PolarHBondContact N-O 3.5Å; S387-K391 PolarHBondContact OG-O 2.78Å; S387-N403 WeakPolarHBondContact CB-ND2 3.18Å; S387-N403 PolarHBondContact OG-ND2 3.07Å; S387-N403 PolarHBondContact OG-OD1 2.9Å; S387-N403 VanDerWaalsContact OG-OD1 3.14Å |
| 388 | R | 93.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 30.8 Ų | 30.8 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31 | 174.4 | -178 | 56.4 | 166.4 | 148.7 | 0.2 | 114.1 | Q165 W169 G390 | Q165-R388 VanDerWaalsContact OE1-NH1 3.11Å; W169-R388 HydrophobicContact CD2-CB 4.37Å; W169-R388 VanDerWaalsContact CD2-CD 3.49Å; W169-R388 VanDerWaalsContact CG-CD 3.45Å; W169-R388 HydrophobicContact CH2-CB 4.13Å; W169-R388 HydrophobicContact CZ2-CB 3.78Å; R388-G390 PolarHBondContact O-N 3.15Å |
| 389 | S | 93.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 57% | 0.573 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.1 | 178.6 | 72 | 0 | 0 | 0 | 0 | 114.6 | S387 K391 | S387-S389 PolarHBondContact O-N 3.48Å; S387-S389 PolarHBondContact OG-OG 2.79Å; S389-K391 VanDerWaalsContact C-N 3.28Å; S389-K391 WeakPolarHBondContact OG-CB 3.45Å; S389-K391 WeakPolarHBondContact OG-CG 3.34Å; S389-K391 PolarHBondContact OG-N 2.93Å |
| 390 | G | 93.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 86.7 | -8.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R386 S387 R388 | R386-G390 PolarHBondContact NH1-O 2.89Å; S387-G390 PolarHBondContact O-N 2.81Å; R388-G390 PolarHBondContact O-N 3.15Å |
| 391 | K | 96.3 | Very high | 90.7 | Very high | 87 Ų | 87 | 33.1 Ų | 33.1 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 148.7 | 176.5 | -60.3 | -58.9 | -178.6 | -178.5 | 0 | 112.2 | R386 S387 S389 N403 S405 | R386-K391 CarbonylContact C-O 3.57Å; R386-K391 WeakPolarHBondContact CA-O 3.41Å; S387-K391 PolarHBondContact N-O 3.5Å; S387-K391 PolarHBondContact OG-O 2.78Å; S389-K391 VanDerWaalsContact C-N 3.28Å; S389-K391 WeakPolarHBondContact OG-CB 3.45Å; S389-K391 WeakPolarHBondContact OG-CG 3.34Å; S389-K391 PolarHBondContact OG-N 2.93Å; K391-N403 VanDerWaalsContact C-OD1 3.29Å; K391-N403 PolarHBondContact O-OD1 2.88Å; K391-S405 WeakPolarHBondContact CA-O 3.29Å |
| 392 | L | 97 | Very high | 91 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.3 | 179.5 | -63.4 | 170.7 | 0 | 0 | 0 | 111.4 | R384 L385 R386 N403 T404 S405 | R384-L392 HydrophobicContact CB-CD2 4.12Å; R384-L392 HydrophobicContact CG-CD2 3.94Å; L385-L392 WeakPolarHBondContact O-CA 3.22Å; R386-L392 HydrophobicContact CB-CD2 3.64Å; R386-L392 HydrophobicContact CG-CD2 4.01Å; L392-N403 WeakPolarHBondContact O-CA 3.36Å; L392-T404 PolarHBondContact O-N 2.97Å; L392-S405 PolarHBondContact N-O 3.16Å; L392-S405 PolarHBondContact O-N 3.16Å; L392-S405 VanDerWaalsContact O-N 3.08Å |
| 393 | W | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 140.2 | 162.3 | -74.9 | 33.7 | 0 | 0 | 0 | 109.4 | I289 A297 I305 F318 L385 V401 K402 S412 F414 | I289-W393 HydrophobicContact CB-CH2 4.45Å; I289-W393 HydrophobicContact CG1-CH2 4.36Å; I289-W393 HydrophobicContact CG2-CH2 4.42Å; A297-W393 HydrophobicContact CB-CH2 3.73Å; A297-W393 HydrophobicContact CB-CZ2 3.93Å; I305-W393 HydrophobicContact CB-CZ2 4.47Å; I305-W393 HydrophobicContact CD1-CD2 4.17Å; I305-W393 HydrophobicContact CD1-CG 4.24Å; I305-W393 HydrophobicContact CD1-CZ2 4.21Å; I305-W393 HydrophobicContact CG1-CD2 3.88Å; I305-W393 HydrophobicContact CG1-CE3 4.39Å; I305-W393 HydrophobicContact CG1-CG 4.17Å; I305-W393 HydrophobicContact CG1-CZ2 4.22Å; I305-W393 HydrophobicContact CG2-CD2 4.39Å; I305-W393 HydrophobicContact CG2-CE3 4.41Å; I305-W393 HydrophobicContact CG2-CH2 3.48Å; I305-W393 VanDerWaalsContact CG2-CH2 3.48Å; I305-W393 HydrophobicContact CG2-CZ2 3.41Å; I305-W393 VanDerWaalsContact CG2-CZ2 3.41Å; I305-W393 HydrophobicContact CG2-CZ3 3.99Å; F318-W393 AromaticContact CD1-NE1 3.29Å; F318-W393 VanDerWaalsContact CD1-NE1 3.29Å; F318-W393 HydrophobicContact CD2-CZ2 4.01Å; F318-W393 AromaticContact CE1-CE2 3.94Å; F318-W393 HydrophobicContact CE1-CZ2 4.19Å; F318-W393 AromaticContact CE1-NE1 3.07Å; F318-W393 AromaticContact CE2-CZ2 3.6Å; F318-W393 HydrophobicContact CE2-CZ2 3.6Å; F318-W393 HydrophobicContact CG-CZ2 4.45Å; F318-W393 AromaticContact CG-NE1 3.9Å; F318-W393 AromaticContact CZ-CE2 3.92Å; F318-W393 AromaticContact CZ-CZ2 3.7Å; F318-W393 HydrophobicContact CZ-CZ2 3.7Å; F318-W393 AromaticContact CZ-NE1 3.49Å; L385-W393 HydrophobicContact CB-CB 4.1Å; L385-W393 HydrophobicContact CB-CD2 3.95Å; L385-W393 HydrophobicContact CB-CG 3.72Å; L385-W393 HydrophobicContact CD1-CD2 3.72Å; L385-W393 HydrophobicContact CD1-CE3 3.49Å; L385-W393 VanDerWaalsContact CD1-CE3 3.49Å; L385-W393 HydrophobicContact CD1-CG 4.31Å; L385-W393 HydrophobicContact CD1-CH2 4.17Å; L385-W393 HydrophobicContact CD1-CZ2 4.37Å; L385-W393 HydrophobicContact CD1-CZ3 3.74Å; L385-W393 HydrophobicContact CG-CD2 4.49Å; L385-W393 PolarHBondContact O-N 2.85Å; W393-V401 HydrophobicContact CB-CG1 4.05Å; W393-V401 HydrophobicContact CD2-CG1 4.05Å; W393-V401 HydrophobicContact CE3-CG1 3.72Å; W393-V401 HydrophobicContact CG-CG1 4.23Å; W393-K402 CarbonylContact C-O 3.55Å; W393-K402 WeakPolarHBondContact CA-O 3.47Å; W393-S412 WeakPolarHBondContact O-CA 3.42Å; W393-S412 WeakPolarHBondContact O-CB 3.5Å; W393-F414 HydrophobicContact CB-CE2 3.76Å; W393-F414 HydrophobicContact CB-CZ 4.21Å |
| 394 | K | 94.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 126.6 | -177 | -177 | -170.2 | 168.7 | 96.6 | 0 | 109 | S396 V401 K402 D409 E411 | K394-S396 PolarHBondContact O-N 2.68Å; K394-V401 WeakPolarHBondContact O-CA 3.47Å; K394-K402 PolarHBondContact N-O 3.42Å; K394-K402 PolarHBondContact O-N 2.86Å; K394-D409 IonicContact NZ-OD1 3.38Å; K394-D409 IonicContact NZ-OD2 3.98Å; K394-D409 PolarHBondContact NZ-OD2 3.01Å; K394-E411 WeakPolarHBondContact CA-O 3.45Å; K394-E411 WeakPolarHBondContact CE-OE2 3.4Å; K394-E411 HydrophobicContact CG-CB 3.84Å; K394-E411 IonicContact NZ-OE2 2.75Å; K394-E411 PolarHBondContact NZ-OE2 2.72Å |
| 395 | L | 92.7 | Very high | 91.1 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 111.7 | 170.4 | -167.8 | 59.9 | 0 | 0 | 0 | 109.6 | V401 E411 F414 L441 T451 | L395-V401 HydrophobicContact CD1-CG2 3.85Å; L395-E411 PolarHBondContact N-O 2.93Å; L395-F414 HydrophobicContact CB-CE1 4.07Å; L395-F414 HydrophobicContact CB-CZ 4.35Å; L395-L441 HydrophobicContact CD1-CD2 3.67Å; L395-L441 HydrophobicContact CD2-CD2 4.45Å; L395-T451 HydrophobicContact CD1-CG2 3.48Å; L395-T451 VanDerWaalsContact CD1-CG2 3.48Å; L395-T451 HydrophobicContact CD2-CG2 3.87Å; L395-T451 HydrophobicContact CG-CG2 4.01Å |
| 396 | S | 82.7 | Confident | 90.9 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | K394 S398 S399 G400 | K394-S396 PolarHBondContact O-N 2.68Å; S396-S398 PolarHBondContact O-N 3.34Å; S396-S399 WeakPolarHBondContact CB-OG 3.48Å; S396-S399 PolarHBondContact O-N 2.69Å; S396-G400 PolarHBondContact N-O 2.85Å |
| 397 | S | 71.7 | Confident | 90.6 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 81% | 0.811 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -22.9 | -176.7 | 52.9 | 0 | 0 | 0 | 0 | 115 | ||
| 398 | S | 72.3 | Confident | 90.2 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | -5.6 | -174.9 | 56 | 0 | 0 | 0 | 0 | 115.8 | S396 | S396-S398 PolarHBondContact O-N 3.34Š|
| 399 | S | 73.2 | Confident | 90.1 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.5 | 28.4 | -164.1 | 69.5 | 0 | 0 | 0 | 0 | 115.4 | S396 K402 | S396-S399 WeakPolarHBondContact CB-OG 3.48Å; S396-S399 PolarHBondContact O-N 2.69Å; S399-K402 WeakPolarHBondContact OG-CE 3.34Å; S399-K402 PolarHBondContact OG-NZ 2.91Å |
| 400 | G | 87.3 | Confident | 90 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67 | -156.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S396 | S396-G400 PolarHBondContact N-O 2.85Å |
| 401 | V | 95.2 | Very high | 90 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.7 | -177 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | I305 W393 K394 L395 F414 L441 V449 | I305-V401 HydrophobicContact CB-CB 4.19Å; I305-V401 HydrophobicContact CB-CG1 4.25Å; I305-V401 HydrophobicContact CG1-CB 4.13Å; I305-V401 HydrophobicContact CG1-CG1 3.69Å; I305-V401 PolarHBondContact N-O 3.34Å; W393-V401 HydrophobicContact CB-CG1 4.05Å; W393-V401 HydrophobicContact CD2-CG1 4.05Å; W393-V401 HydrophobicContact CE3-CG1 3.72Å; W393-V401 HydrophobicContact CG-CG1 4.23Å; K394-V401 WeakPolarHBondContact O-CA 3.47Å; L395-V401 HydrophobicContact CD1-CG2 3.85Å; V401-F414 HydrophobicContact CG1-CZ 4.36Å; V401-L441 HydrophobicContact CG2-CD1 3.93Å; V401-L441 HydrophobicContact CG2-CD2 3.69Å; V401-L441 HydrophobicContact CG2-CG 4.43Å; V401-V449 HydrophobicContact CB-CB 4.5Å; V401-V449 HydrophobicContact CB-CG1 4.25Å; V401-V449 HydrophobicContact CG2-CB 4.48Å; V401-V449 HydrophobicContact CG2-CG1 3.8Å; V401-V449 PolarHBondContact N-O 2.85Å |
| 402 | K | 95.4 | Very high | 89.9 | Confident | 42 Ų | 42 | 48 Ų | 48 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 148.4 | -178.8 | -70.4 | 178.3 | 168.4 | 170.1 | 0 | 112.2 | I303 E304 W393 K394 S399 T404 | I303-K402 HydrophobicContact CD1-CD 4.32Å; I303-K402 CarbonylContact O-C 3.42Å; I303-K402 WeakPolarHBondContact O-CA 3.31Å; E304-K402 HydrophobicContact CG-CG 4.4Å; W393-K402 CarbonylContact C-O 3.55Å; W393-K402 WeakPolarHBondContact CA-O 3.47Å; K394-K402 PolarHBondContact N-O 3.42Å; K394-K402 PolarHBondContact O-N 2.86Å; S399-K402 WeakPolarHBondContact OG-CE 3.34Å; S399-K402 PolarHBondContact OG-NZ 2.91Å; K402-T404 HydrophobicContact CB-CG2 4.25Å; K402-T404 PolarHBondContact O-N 2.81Å |
| 403 | N | 95.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 68.6 | 174.7 | -173.1 | 47.7 | 0 | 0 | 0 | 111.6 | V299 I303 I305 S387 K391 L392 | V299-N403 HydrophobicContact CG1-CB 3.6Å; I303-N403 PolarHBondContact O-N 3.1Å; I305-N403 HydrophobicContact CD1-CB 3.82Å; S387-N403 WeakPolarHBondContact CB-ND2 3.18Å; S387-N403 PolarHBondContact OG-ND2 3.07Å; S387-N403 PolarHBondContact OG-OD1 2.9Å; S387-N403 VanDerWaalsContact OG-OD1 3.14Å; K391-N403 VanDerWaalsContact C-OD1 3.29Å; K391-N403 PolarHBondContact O-OD1 2.88Å; L392-N403 WeakPolarHBondContact O-CA 3.36Å |
| 404 | T | 95.6 | Very high | 89.7 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -13.2 | -173.1 | 56 | 0 | 0 | 0 | 0 | 113.8 | I303 L392 K402 | I303-T404 HydrophobicContact CB-CG2 3.97Å; I303-T404 HydrophobicContact CD1-CG2 4.45Å; I303-T404 HydrophobicContact CG2-CG2 4.07Å; L392-T404 PolarHBondContact O-N 2.97Å; K402-T404 HydrophobicContact CB-CG2 4.25Å; K402-T404 PolarHBondContact O-N 2.81Å |
| 405 | S | 95 | Very high | 89.6 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 163.7 | -172.8 | 169.8 | 0 | 0 | 0 | 0 | 112.4 | K391 L392 D409 S412 | K391-S405 WeakPolarHBondContact CA-O 3.29Å; L392-S405 PolarHBondContact N-O 3.16Å; L392-S405 PolarHBondContact O-N 3.16Å; L392-S405 VanDerWaalsContact O-N 3.08Å; S405-D409 WeakPolarHBondContact OG-CB 3.17Å; S405-D409 PolarHBondContact OG-OD2 2.7Å; S405-D409 VanDerWaalsContact OG-OD2 3.14Å; S405-S412 WeakPolarHBondContact OG-CB 3.49Å |
| 406 | S | 93.2 | Very high | 89.7 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | trans | -128.5 | 170.9 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 109.3 | G408 D409 | S406-G408 PolarHBondContact O-N 2.92Å; S406-D409 WeakPolarHBondContact O-CB 3.45Å; S406-D409 PolarHBondContact O-N 2.9Å | ||
| 407 | D | 90.2 | Very high | 90.1 | Very high | 94 Ų | 94 | 47.2 Ų | 47.2 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 139.1 | -174.8 | -61.2 | -13.9 | 0 | 0 | 0 | 112.4 | R384 R386 | R384-D407 IonicContact CZ-OD1 3.33Å; R384-D407 IonicContact NH1-OD1 2.75Å; R384-D407 PolarHBondContact NH1-OD1 2.85Å; R386-D407 IonicContact CZ-OD1 3.8Å; R386-D407 IonicContact NH1-OD1 3.31Å; R386-D407 PolarHBondContact NH1-OD1 3.25Å; R386-D407 IonicContact NH1-OD2 2.71Å; R386-D407 IonicContact NH2-OD1 2.86Å; R386-D407 PolarHBondContact NH2-OD1 3.37Å; R386-D407 IonicContact NH2-OD2 3.69Å |
| 408 | G | 88.2 | Confident | 90.9 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 73% | 0.732 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | -10.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S406 R410 | S406-G408 PolarHBondContact O-N 2.92Å; G408-R410 PolarHBondContact O-N 2.81Å |
| 409 | D | 92 | Very high | 91.7 | Very high | 43 Ų | 43 | 37 Ų | 37 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | trans | -70.8 | 117.5 | 174.8 | -173.3 | -5.5 | 0 | 0 | 0 | 110.8 | K394 S405 S406 E411 S412 | K394-D409 IonicContact NZ-OD1 3.38Å; K394-D409 IonicContact NZ-OD2 3.98Å; K394-D409 PolarHBondContact NZ-OD2 3.01Å; S405-D409 WeakPolarHBondContact OG-CB 3.17Å; S405-D409 PolarHBondContact OG-OD2 2.7Å; S405-D409 VanDerWaalsContact OG-OD2 3.14Å; S406-D409 WeakPolarHBondContact O-CB 3.45Å; S406-D409 PolarHBondContact O-N 2.9Å; D409-E411 PolarHBondContact O-N 3.37Å; D409-E411 PolarHBondContact OD1-N 2.98Å; D409-S412 WeakPolarHBondContact O-CB 3.44Å; D409-S412 PolarHBondContact O-N 2.98Å; D409-S412 VanDerWaalsContact O-N 3.11Å; D409-S412 PolarHBondContact O-OG 2.83Å | ||
| 410 | R | 91.4 | Very high | 91.9 | Very high | 186 Ų | 186 | 35.8 Ų | 35.8 | 70% | 0.702 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -61.8 | -33.9 | -179.3 | -64.7 | -177.8 | 68.8 | 116.7 | 1.4 | 112.1 | G408 S412 L413 N435 | G408-R410 PolarHBondContact O-N 2.81Å; R410-S412 PolarHBondContact O-N 2.8Å; R410-S412 VanDerWaalsContact O-N 3.16Å; R410-L413 WeakPolarHBondContact O-CB 3.26Å; R410-L413 WeakPolarHBondContact O-CG 3.34Å; R410-L413 PolarHBondContact O-N 3.26Å; R410-N435 VanDerWaalsContact C-ND2 3.28Å; R410-N435 PolarHBondContact O-ND2 3.45Å |
| 411 | E | 92.1 | Very high | 91 | Very high | 80 Ų | 80 | 40.1 Ų | 40.1 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -71.7 | -5.1 | -178.7 | -63.5 | 179.7 | 157.9 | 0 | 0 | 112.8 | K394 L395 D409 | K394-E411 WeakPolarHBondContact CA-O 3.45Å; K394-E411 WeakPolarHBondContact CE-OE2 3.4Å; K394-E411 HydrophobicContact CG-CB 3.84Å; K394-E411 IonicContact NZ-OE2 2.75Å; K394-E411 PolarHBondContact NZ-OE2 2.72Å; L395-E411 PolarHBondContact N-O 2.93Å; D409-E411 PolarHBondContact O-N 3.37Å; D409-E411 PolarHBondContact OD1-N 2.98Å |
| 412 | S | 94.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -90.4 | -4.8 | 170.4 | 70.8 | 0 | 0 | 0 | 0 | 114.8 | W393 S405 D409 R410 F414 | W393-S412 WeakPolarHBondContact O-CA 3.42Å; W393-S412 WeakPolarHBondContact O-CB 3.5Å; S405-S412 WeakPolarHBondContact OG-CB 3.49Å; D409-S412 WeakPolarHBondContact O-CB 3.44Å; D409-S412 PolarHBondContact O-N 2.98Å; D409-S412 VanDerWaalsContact O-N 3.11Å; D409-S412 PolarHBondContact O-OG 2.83Å; R410-S412 PolarHBondContact O-N 2.8Å; R410-S412 VanDerWaalsContact O-N 3.16Å; S412-F414 VanDerWaalsContact O-CD2 3.27Å; S412-F414 WeakPolarHBondContact O-CD2 3.48Å; S412-F414 WeakPolarHBondContact O-CE2 3.35Å |
| 413 | L | 94.9 | Very high | 87.6 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | trans | -85.9 | 131.3 | 178.4 | -57 | 179.2 | 0 | 0 | 0 | 109.5 | I323 F382 W383 R410 N435 | I323-L413 HydrophobicContact CB-CD2 4.27Å; I323-L413 HydrophobicContact CG1-CD2 3.77Å; I323-L413 HydrophobicContact CG2-CD2 4.22Å; F382-L413 HydrophobicContact CB-CB 4.31Å; F382-L413 HydrophobicContact CD1-CB 4.31Å; F382-L413 HydrophobicContact CG-CB 4.41Å; W383-L413 WeakPolarHBondContact O-CA 3.28Å; R410-L413 WeakPolarHBondContact O-CB 3.26Å; R410-L413 WeakPolarHBondContact O-CG 3.34Å; R410-L413 PolarHBondContact O-N 3.26Å; L413-N435 HydrophobicContact CB-CB 3.91Å; L413-N435 WeakPolarHBondContact O-CB 3.1Å; L413-N435 PolarHBondContact O-N 2.85Å | ||
| 414 | F | 95 | Very high | 86 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.4 | 174.5 | -58.8 | -84.6 | 0 | 0 | 0 | 108.7 | F382 W383 W393 L395 V401 S412 F432 R433 L441 | F382-F414 CarbonylContact C-O 3.46Å; F382-F414 WeakPolarHBondContact CA-O 3.44Å; W383-F414 PolarHBondContact N-O 2.96Å; W383-F414 PolarHBondContact O-N 2.59Å; W393-F414 HydrophobicContact CB-CE2 3.76Å; W393-F414 HydrophobicContact CB-CZ 4.21Å; L395-F414 HydrophobicContact CB-CE1 4.07Å; L395-F414 HydrophobicContact CB-CZ 4.35Å; V401-F414 HydrophobicContact CG1-CZ 4.36Å; S412-F414 VanDerWaalsContact O-CD2 3.27Å; S412-F414 WeakPolarHBondContact O-CD2 3.48Å; S412-F414 WeakPolarHBondContact O-CE2 3.35Å; F414-F432 HydrophobicContact CB-CB 4.41Å; F414-F432 HydrophobicContact CB-CD1 3.96Å; F414-F432 HydrophobicContact CD1-CB 4.46Å; F414-R433 CarbonylContact C-O 3.57Å; F414-R433 VanDerWaalsContact CA-O 3.29Å; F414-R433 WeakPolarHBondContact CA-O 3.18Å; F414-L441 HydrophobicContact CD1-CD1 3.94Å; F414-L441 HydrophobicContact CD1-CG 4.35Å; F414-L441 HydrophobicContact CE1-CD1 3.79Å; F414-L441 HydrophobicContact CE1-CD2 4.13Å; F414-L441 HydrophobicContact CE1-CG 4.31Å |
| 415 | E | 93.7 | Very high | 84.1 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 135.7 | 168 | -173.5 | -179.4 | -130.1 | 0 | 0 | 109 | T379 G381 F382 F432 R433 | T379-E415 VanDerWaalsContact CG2-CD 3.4Å; T379-E415 HydrophobicContact CG2-CG 3.5Å; T379-E415 WeakPolarHBondContact CG2-OE1 3.3Å; G381-E415 WeakPolarHBondContact O-CA 3.33Å; F382-E415 HydrophobicContact CD1-CB 4.06Å; F382-E415 HydrophobicContact CE1-CB 4.03Å; E415-F432 WeakPolarHBondContact O-CA 3.5Å; E415-R433 HydrophobicContact CB-CB 4.27Å; E415-R433 VanDerWaalsContact CD-NH2 3.28Å; E415-R433 PolarHBondContact N-O 2.87Å; E415-R433 PolarHBondContact O-N 2.87Å; E415-R433 IonicContact OE1-NH2 3.85Å; E415-R433 IonicContact OE2-CZ 3.22Å; E415-R433 IonicContact OE2-NE 3.18Å; E415-R433 PolarHBondContact OE2-NE 2.79Å; E415-R433 IonicContact OE2-NH2 3.09Å; E415-R433 PolarHBondContact OE2-NH2 2.99Å |
| 416 | M | 92.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 112.5 | 179.4 | -172.7 | 169.1 | 65.2 | 0 | 0 | 109.9 | T380 G381 W383 I430 F432 I470 F570 | T380-M416 PolarHBondContact N-O 3Å; T380-M416 WeakPolarHBondContact OG1-CE 3.32Å; T380-M416 PolarHBondContact OG1-O 3.25Å; G381-M416 PolarHBondContact O-N 3.07Å; W383-M416 VanDerWaalsContact CD1-CB 3.46Å; W383-M416 HydrophobicContact CD2-CE 4.26Å; W383-M416 HydrophobicContact CG-CB 4.31Å; W383-M416 HydrophobicContact CH2-CE 4.45Å; W383-M416 HydrophobicContact CZ2-CE 3.71Å; M416-I430 HydrophobicContact CG-CB 4.15Å; M416-I430 HydrophobicContact CG-CD1 4.22Å; M416-I430 HydrophobicContact CG-CG2 4.14Å; M416-I430 HydrophobicContact SD-CD1 3.82Å; M416-I430 HydrophobicContact SD-CG2 4.21Å; M416-F432 HydrophobicContact CG-CE1 4.46Å; M416-F432 HydrophobicContact SD-CE1 4.4Å; M416-I470 HydrophobicContact SD-CD1 4.28Å; M416-F570 HydrophobicContact CE-CB 3.99Å |
| 417 | L | 92.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 109.9 | 175.5 | 176.8 | 62.6 | 0 | 0 | 0 | 109 | T368 F377 T379 V419 I430 V431 I456 | T368-L417 HydrophobicContact CG2-CD1 3.59Å; T368-L417 HydrophobicContact CG2-CD2 4.23Å; T368-L417 WeakPolarHBondContact OG1-CD1 3.49Å; F377-L417 HydrophobicContact CB-CD1 4Å; F377-L417 HydrophobicContact CD1-CD1 3.87Å; F377-L417 HydrophobicContact CD1-CD2 3.89Å; F377-L417 HydrophobicContact CD1-CG 4.04Å; F377-L417 HydrophobicContact CE1-CD2 4.23Å; F377-L417 HydrophobicContact CG-CD1 4.44Å; T379-L417 WeakPolarHBondContact OG1-CD1 3.39Å; L417-V419 HydrophobicContact CD2-CG2 4.21Å; L417-V419 HydrophobicContact CG-CG2 3.97Å; L417-I430 CarbonylContact O-C 3.46Å; L417-I430 WeakPolarHBondContact O-CA 3.33Å; L417-V431 HydrophobicContact CB-CB 4.35Å; L417-V431 PolarHBondContact N-O 3.29Å; L417-V431 PolarHBondContact O-N 3.4Å; L417-I456 HydrophobicContact CD2-CG2 4.2Å |
| 418 | T | 89.3 | Confident | 79.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.4 | 168 | -62.7 | 0 | 0 | 0 | 0 | 108.8 | F377 L378 H569 | F377-T418 WeakPolarHBondContact CA-O 3.48Å; L378-T418 PolarHBondContact N-O 2.92Å; L378-T418 WeakPolarHBondContact O-CB 3.39Å; L378-T418 PolarHBondContact O-N 3.31Å; T418-H569 WeakPolarHBondContact CG2-ND1 3.46Å |
| 419 | V | 87.4 | Confident | 79.3 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.7 | 177.1 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | V375 F377 L417 Q429 V431 P462 L467 | V375-V419 HydrophobicContact CG1-CG1 3.6Å; F377-V419 HydrophobicContact CD1-CB 4.43Å; F377-V419 HydrophobicContact CD1-CG1 4.23Å; F377-V419 HydrophobicContact CD1-CG2 3.84Å; F377-V419 HydrophobicContact CE1-CB 4.31Å; F377-V419 HydrophobicContact CE1-CG1 3.74Å; F377-V419 HydrophobicContact CE1-CG2 3.75Å; F377-V419 HydrophobicContact CZ-CG1 4.21Å; L417-V419 HydrophobicContact CD2-CG2 4.21Å; L417-V419 HydrophobicContact CG-CG2 3.97Å; V419-Q429 PolarHBondContact N-O 3.01Å; V419-Q429 PolarHBondContact O-N 3.38Å; V419-Q429 VanDerWaalsContact O-O 3.09Å; V419-V431 HydrophobicContact CG2-CG2 3.91Å; V419-P462 HydrophobicContact CG1-CG 4.08Å; V419-P462 HydrophobicContact CG2-CG 4.4Å; V419-L467 HydrophobicContact CB-CD2 4.45Å |
| 420 | N | 77.5 | Confident | 79.3 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.7 | 171.7 | -169.1 | 32.2 | 0 | 0 | 0 | 114 | V375 Y376 I422 R428 | V375-N420 CarbonylContact C-O 3.4Å; V375-N420 WeakPolarHBondContact CA-O 3.22Å; V375-N420 WeakPolarHBondContact CG1-O 3.34Å; Y376-N420 PolarHBondContact N-O 2.84Å; Y376-N420 PolarHBondContact O-N 3.17Å; N420-I422 PolarHBondContact O-N 2.85Å; N420-R428 VanDerWaalsContact CB-CD 3.49Å; N420-R428 HydrophobicContact CB-CG 3.41Å; N420-R428 VanDerWaalsContact CB-CG 3.41Å; N420-R428 VanDerWaalsContact ND2-CZ 3.26Å; N420-R428 PolarHBondContact ND2-NE 3.16Å; N420-R428 PolarHBondContact ND2-NH2 2.98Å; N420-R428 WeakPolarHBondContact OD1-CG 3.48Å; N420-R428 PolarHBondContact OD1-NE 3.09Å |
| 421 | K | 69.8 | Low | 79.4 | Confident | 104 Ų | 104 | 40.1 Ų | 40.1 | 45% | 0.452 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 111.2 | 162.8 | -71.1 | -175.9 | -179.9 | 175.8 | 0 | 108.6 | V375 N423 D424 | V375-K421 HydrophobicContact CG2-CG 4.06Å; K421-N423 PolarHBondContact O-N 3.38Å; K421-D424 HydrophobicContact CB-CB 3.63Å; K421-D424 HydrophobicContact CD-CB 4.4Å; K421-D424 PolarHBondContact O-N 2.8Å |
| 422 | I | 61.7 | Low | 79.5 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.2 | -174.7 | -71.4 | -179.5 | 0 | 0 | 0 | 111.9 | V371 D374 N420 N587 | V371-I422 HydrophobicContact CB-CD1 4.49Å; V371-I422 HydrophobicContact CG1-CD1 3.54Å; V371-I422 HydrophobicContact CG2-CD1 4.15Å; D374-I422 HydrophobicContact CB-CB 4.32Å; D374-I422 WeakPolarHBondContact O-CB 3.38Å; D374-I422 WeakPolarHBondContact O-CG1 3.49Å; D374-I422 PolarHBondContact O-N 2.9Å; N420-I422 PolarHBondContact O-N 2.85Å; I422-N587 HydrophobicContact CG2-CB 3.34Å; I422-N587 WeakPolarHBondContact CG2-O 3.39Å |
| 423 | N | 57 | Low | 79.5 | Confident | 87 Ų | 87 | 36.3 Ų | 36.3 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -14.1 | -175.6 | -51.8 | 4.1 | 0 | 0 | 0 | 112.2 | D374 K421 N587 | D374-N423 PolarHBondContact OD2-ND2 3.42Å; K421-N423 PolarHBondContact O-N 3.38Å; N423-N587 VanDerWaalsContact CG-CG 3.49Å; N423-N587 VanDerWaalsContact CG-ND2 3.32Å; N423-N587 PolarHBondContact ND2-ND2 2.75Å; N423-N587 PolarHBondContact OD1-ND2 3.4Å; N423-N587 PolarHBondContact OD1-OD1 3.38Å |
| 424 | D | 61.4 | Low | 79.3 | Confident | 76 Ų | 76 | 34.9 Ų | 34.9 | 41% | 0.406 | 17% | 0.166 | S | C | . | . | trans | -91.9 | 120 | -177.8 | -152.1 | -16.1 | 0 | 0 | 0 | 107.8 | K421 Q426 | K421-D424 HydrophobicContact CB-CB 3.63Å; K421-D424 HydrophobicContact CD-CB 4.4Å; K421-D424 PolarHBondContact O-N 2.8Å; D424-Q426 HydrophobicContact CB-CB 4.24Å; D424-Q426 VanDerWaalsContact CG-CB 3.5Å; D424-Q426 PolarHBondContact O-N 3.27Å; D424-Q426 VanDerWaalsContact O-N 3.1Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.33Å; D424-Q426 WeakPolarHBondContact OD1-CG 3.37Å; D424-Q426 PolarHBondContact OD1-N 2.92Å | ||
| 425 | K | 57.1 | Low | 79 | Confident | 176 Ų | 176 | 36.8 Ų | 36.8 | 77% | 0.765 | 18% | 0.176 | S | C | * | . | trans | -69.6 | 1.4 | 170.7 | -66.5 | -176.2 | 177 | -174.4 | 0 | 111.5 | L562 | K425-L562 HydrophobicContact CD-CD1 4.03Š| ||
| 426 | Q | 56.1 | Low | 78.7 | Confident | 127 Ų | 127 | 39.5 Ų | 39.5 | 59% | 0.593 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -69.8 | 144.4 | 169 | -66.5 | -78.8 | -19.6 | 0 | 0 | 111.1 | D424 | D424-Q426 HydrophobicContact CB-CB 4.24Å; D424-Q426 VanDerWaalsContact CG-CB 3.5Å; D424-Q426 PolarHBondContact O-N 3.27Å; D424-Q426 VanDerWaalsContact O-N 3.1Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.33Å; D424-Q426 WeakPolarHBondContact OD1-CG 3.37Å; D424-Q426 PolarHBondContact OD1-N 2.92Å |
| 427 | I | 62.6 | Low | 78.4 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 139.5 | -171.2 | -57.9 | 122.6 | 0 | 0 | 0 | 111.1 | Q429 R514 T516 | I427-Q429 PolarHBondContact O-N 3.16Å; I427-R514 HydrophobicContact CD1-CB 3.49Å; I427-R514 VanDerWaalsContact CD1-CB 3.49Å; I427-R514 HydrophobicContact CD1-CG 3.75Å; I427-R514 WeakPolarHBondContact CD1-O 3.13Å; I427-R514 HydrophobicContact CG1-CB 3.72Å; I427-R514 HydrophobicContact CG1-CG 4.24Å; I427-R514 WeakPolarHBondContact CG1-O 3.36Å; I427-R514 WeakPolarHBondContact CG2-O 3.29Å; I427-T516 HydrophobicContact CG1-CG2 4.17Å; I427-T516 HydrophobicContact CG2-CG2 4.21Å |
| 428 | R | 64 | Low | 78.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 137.1 | 173.9 | -67.6 | 179.5 | 170.4 | -131.3 | -18.9 | 111.2 | N420 N469 Q567 H569 | N420-R428 VanDerWaalsContact CB-CD 3.49Å; N420-R428 HydrophobicContact CB-CG 3.41Å; N420-R428 VanDerWaalsContact CB-CG 3.41Å; N420-R428 VanDerWaalsContact ND2-CZ 3.26Å; N420-R428 PolarHBondContact ND2-NE 3.16Å; N420-R428 PolarHBondContact ND2-NH2 2.98Å; N420-R428 WeakPolarHBondContact OD1-CG 3.48Å; N420-R428 PolarHBondContact OD1-NE 3.09Å; R428-N469 PolarHBondContact O-OD1 3.38Å; R428-Q567 VanDerWaalsContact CB-OE1 3.24Å; R428-Q567 PolarHBondContact O-NE2 3.41Å; R428-H569 WeakPolarHBondContact CD-CE1 3.14Å |
| 429 | Q | 81.2 | Confident | 78.2 | Confident | 52 Ų | 52 | 50.2 Ų | 50.2 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.9 | -175.9 | -73.8 | 159 | -23.4 | 0 | 0 | 108.4 | V419 I427 L467 F468 N469 | V419-Q429 PolarHBondContact N-O 3.01Å; V419-Q429 PolarHBondContact O-N 3.38Å; V419-Q429 VanDerWaalsContact O-O 3.09Å; I427-Q429 PolarHBondContact O-N 3.16Å; Q429-L467 HydrophobicContact CB-CB 3.72Å; Q429-L467 HydrophobicContact CB-CD2 3.7Å; Q429-L467 HydrophobicContact CB-CG 4.18Å; Q429-L467 HydrophobicContact CG-CB 4Å; Q429-L467 VanDerWaalsContact OE1-CB 3.27Å; Q429-F468 CarbonylContact C-O 3.59Å; Q429-F468 WeakPolarHBondContact CA-O 3.48Å; Q429-F468 WeakPolarHBondContact CB-O 3.06Å; Q429-N469 VanDerWaalsContact CG-OD1 3.29Å; Q429-N469 WeakPolarHBondContact CG-OD1 3.27Å |
| 430 | I | 92.4 | Very high | 78.5 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 152.2 | 173.8 | 61.8 | 170.6 | 0 | 0 | 0 | 109.6 | M416 L417 F432 F468 I470 | M416-I430 HydrophobicContact CG-CB 4.15Å; M416-I430 HydrophobicContact CG-CD1 4.22Å; M416-I430 HydrophobicContact CG-CG2 4.14Å; M416-I430 HydrophobicContact SD-CD1 3.82Å; M416-I430 HydrophobicContact SD-CG2 4.21Å; L417-I430 CarbonylContact O-C 3.46Å; L417-I430 WeakPolarHBondContact O-CA 3.33Å; I430-F432 HydrophobicContact CD1-CD2 4.36Å; I430-F432 HydrophobicContact CD1-CE1 4.04Å; I430-F432 HydrophobicContact CD1-CE2 3.55Å; I430-F432 HydrophobicContact CD1-CZ 3.36Å; I430-F432 HydrophobicContact CG1-CE2 4.3Å; I430-F468 HydrophobicContact CG1-CB 4Å; I430-F468 WeakPolarHBondContact CG1-O 3.28Å; I430-F468 PolarHBondContact N-O 2.87Å; I430-F468 PolarHBondContact O-N 3.2Å; I430-I470 HydrophobicContact CD1-CB 3.84Å; I430-I470 HydrophobicContact CD1-CD1 4.18Å; I430-I470 HydrophobicContact CD1-CG2 4.05Å; I430-I470 HydrophobicContact CG2-CG2 4.29Å |
| 431 | V | 94.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.2 | 164.4 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | L417 V419 R433 I456 P462 L467 | L417-V431 HydrophobicContact CB-CB 4.35Å; L417-V431 PolarHBondContact N-O 3.29Å; L417-V431 PolarHBondContact O-N 3.4Å; V419-V431 HydrophobicContact CG2-CG2 3.91Å; V431-R433 HydrophobicContact CG1-CG 4.29Å; V431-I456 HydrophobicContact CG1-CB 4.06Å; V431-I456 HydrophobicContact CG1-CG1 4.19Å; V431-I456 HydrophobicContact CG1-CG2 4.49Å; V431-I456 HydrophobicContact CG2-CG2 4.21Å; V431-P462 HydrophobicContact CG2-CB 4.08Å; V431-P462 HydrophobicContact CG2-CG 4.37Å; V431-L467 HydrophobicContact CG2-CD2 3.83Å |
| 432 | F | 95 | Very high | 80.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122 | 168.1 | -70.1 | -70.4 | 0 | 0 | 0 | 109 | I289 L385 F414 E415 M416 I430 S440 L441 F468 | I289-F432 HydrophobicContact CD1-CE2 4.15Å; I289-F432 HydrophobicContact CD1-CZ 3.94Å; I289-F432 HydrophobicContact CG2-CE2 4.15Å; L385-F432 HydrophobicContact CD1-CE1 4.17Å; L385-F432 HydrophobicContact CD1-CE2 4.44Å; L385-F432 HydrophobicContact CD1-CZ 3.95Å; F414-F432 HydrophobicContact CB-CB 4.41Å; F414-F432 HydrophobicContact CB-CD1 3.96Å; F414-F432 HydrophobicContact CD1-CB 4.46Å; E415-F432 WeakPolarHBondContact O-CA 3.5Å; M416-F432 HydrophobicContact CG-CE1 4.46Å; M416-F432 HydrophobicContact SD-CE1 4.4Å; I430-F432 HydrophobicContact CD1-CD2 4.36Å; I430-F432 HydrophobicContact CD1-CE1 4.04Å; I430-F432 HydrophobicContact CD1-CE2 3.55Å; I430-F432 HydrophobicContact CD1-CZ 3.36Å; I430-F432 HydrophobicContact CG1-CE2 4.3Å; F432-S440 CarbonylContact O-C 3.49Å; F432-S440 WeakPolarHBondContact O-CA 3.02Å; F432-L441 HydrophobicContact CB-CB 4.1Å; F432-L441 HydrophobicContact CB-CD1 3.57Å; F432-L441 HydrophobicContact CB-CG 3.72Å; F432-L441 HydrophobicContact CD2-CD1 4.39Å; F432-L441 HydrophobicContact CG-CD1 4.22Å; F432-L441 PolarHBondContact O-N 2.89Å; F432-F468 HydrophobicContact CD2-CD2 4.33Å |
| 433 | R | 93.3 | Very high | 82.1 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 145.5 | 174.3 | -49.2 | -167.4 | -61.5 | -166.3 | -6.5 | 109.9 | T379 F414 E415 V431 Q439 L455 I456 | T379-R433 PolarHBondContact OG1-NH2 3.16Å; T379-R433 VanDerWaalsContact OG1-NH2 3.16Å; F414-R433 CarbonylContact C-O 3.57Å; F414-R433 VanDerWaalsContact CA-O 3.29Å; F414-R433 WeakPolarHBondContact CA-O 3.18Å; E415-R433 HydrophobicContact CB-CB 4.27Å; E415-R433 VanDerWaalsContact CD-NH2 3.28Å; E415-R433 PolarHBondContact N-O 2.87Å; E415-R433 PolarHBondContact O-N 2.87Å; E415-R433 IonicContact OE1-NH2 3.85Å; E415-R433 IonicContact OE2-CZ 3.22Å; E415-R433 IonicContact OE2-NE 3.18Å; E415-R433 PolarHBondContact OE2-NE 2.79Å; E415-R433 IonicContact OE2-NH2 3.09Å; E415-R433 PolarHBondContact OE2-NH2 2.99Å; V431-R433 HydrophobicContact CG1-CG 4.29Å; R433-Q439 CarbonylContact C-O 3.53Å; R433-Q439 WeakPolarHBondContact CA-O 2.98Å; R433-L455 HydrophobicContact CB-CD1 4.17Å; R433-L455 HydrophobicContact CG-CD1 4.3Å; R433-I456 WeakPolarHBondContact CD-O 3.2Å; R433-I456 PolarHBondContact NH1-O 3.43Å |
| 434 | S | 91.3 | Very high | 83.8 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 148.8 | 175.3 | 57.7 | 0 | 0 | 0 | 0 | 110.7 | D436 G437 Q439 | S434-D436 VanDerWaalsContact CB-OD1 3.28Å; S434-D436 WeakPolarHBondContact CB-OD1 3.41Å; S434-D436 PolarHBondContact O-N 3.06Å; S434-D436 VanDerWaalsContact O-N 3.14Å; S434-D436 PolarHBondContact OG-OD1 3.16Å; S434-G437 PolarHBondContact O-N 3.19Å; S434-Q439 PolarHBondContact N-O 2.89Å; S434-Q439 PolarHBondContact OG-N 2.97Å; S434-Q439 PolarHBondContact OG-O 3.35Å |
| 435 | N | 89 | Confident | 85.1 | Confident | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21.9 | 179.8 | 70.3 | -26.6 | 0 | 0 | 0 | 115.2 | F382 R410 L413 | F382-N435 HydrophobicContact CD1-CB 4.44Å; F382-N435 HydrophobicContact CE1-CB 4.06Å; R410-N435 VanDerWaalsContact C-ND2 3.28Å; R410-N435 PolarHBondContact O-ND2 3.45Å; L413-N435 HydrophobicContact CB-CB 3.91Å; L413-N435 WeakPolarHBondContact O-CB 3.1Å; L413-N435 PolarHBondContact O-N 2.85Å |
| 436 | D | 87.9 | Confident | 86.7 | Confident | 77 Ų | 77 | 50.8 Ų | 50.8 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.3 | 176.7 | 70.5 | -8.1 | 0 | 0 | 0 | 112.7 | S434 K438 | S434-D436 VanDerWaalsContact CB-OD1 3.28Å; S434-D436 WeakPolarHBondContact CB-OD1 3.41Å; S434-D436 PolarHBondContact O-N 3.06Å; S434-D436 VanDerWaalsContact O-N 3.14Å; S434-D436 PolarHBondContact OG-OD1 3.16Å; D436-K438 VanDerWaalsContact C-N 3.27Å; D436-K438 HydrophobicContact CB-CG 4.46Å; D436-K438 PolarHBondContact O-N 2.82Å; D436-K438 PolarHBondContact OD1-N 2.56Å; D436-K438 VanDerWaalsContact OD1-N 3.08Å |
| 437 | G | 85 | Confident | 88.4 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 66.3 | 25.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S434 L455 | S434-G437 PolarHBondContact O-N 3.19Å; G437-L455 VanDerWaalsContact O-CD2 3.32Å; G437-L455 WeakPolarHBondContact O-CD2 3.37Å |
| 438 | K | 87.6 | Confident | 89.9 | Confident | 146 Ų | 146 | 45.5 Ų | 45.5 | 64% | 0.635 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -110.2 | -23.4 | -177.6 | -62.7 | -177 | -173.7 | 172.8 | 0 | 114.5 | D436 | D436-K438 VanDerWaalsContact C-N 3.27Å; D436-K438 HydrophobicContact CB-CG 4.46Å; D436-K438 PolarHBondContact O-N 2.82Å; D436-K438 PolarHBondContact OD1-N 2.56Å; D436-K438 VanDerWaalsContact OD1-N 3.08Å |
| 439 | Q | 90.5 | Very high | 91.4 | Very high | 49 Ų | 49 | 45.3 Ų | 45.3 | 23% | 0.229 | 23% | 0.225 | C | C | . | . | trans | -139.5 | 151.9 | -169.9 | -60.7 | -176 | 78.2 | 0 | 0 | 111 | R433 S434 T451 R454 | R433-Q439 CarbonylContact C-O 3.53Å; R433-Q439 WeakPolarHBondContact CA-O 2.98Å; S434-Q439 PolarHBondContact N-O 2.89Å; S434-Q439 PolarHBondContact OG-N 2.97Å; S434-Q439 PolarHBondContact OG-O 3.35Å; Q439-T451 HydrophobicContact CB-CG2 4.33Å; Q439-T451 PolarHBondContact OE1-OG1 2.88Å; Q439-T451 VanDerWaalsContact OE1-OG1 3.05Å; Q439-R454 CarbonylContact C-O 3.44Å; Q439-R454 WeakPolarHBondContact CA-O 3.37Å | ||
| 440 | S | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 157.8 | 167.2 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | F432 T451 S452 R454 I456 | F432-S440 CarbonylContact O-C 3.49Å; F432-S440 WeakPolarHBondContact O-CA 3.02Å; S440-T451 CarbonylContact O-C 3.57Å; S440-T451 WeakPolarHBondContact O-CA 3.46Å; S440-S452 PolarHBondContact O-N 3.38Å; S440-S452 PolarHBondContact O-OG 2.95Å; S440-R454 PolarHBondContact N-O 3.3Å; S440-I456 WeakPolarHBondContact OG-CB 3.35Å; S440-I456 WeakPolarHBondContact OG-CG1 3.35Å; S440-I456 PolarHBondContact OG-N 3.21Å |
| 441 | L | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 149.8 | 172.1 | -57.5 | -167.7 | 0 | 0 | 0 | 111.1 | L395 V401 F414 F432 V449 S450 F468 | L395-L441 HydrophobicContact CD1-CD2 3.67Å; L395-L441 HydrophobicContact CD2-CD2 4.45Å; V401-L441 HydrophobicContact CG2-CD1 3.93Å; V401-L441 HydrophobicContact CG2-CD2 3.69Å; V401-L441 HydrophobicContact CG2-CG 4.43Å; F414-L441 HydrophobicContact CD1-CD1 3.94Å; F414-L441 HydrophobicContact CD1-CG 4.35Å; F414-L441 HydrophobicContact CE1-CD1 3.79Å; F414-L441 HydrophobicContact CE1-CD2 4.13Å; F414-L441 HydrophobicContact CE1-CG 4.31Å; F432-L441 HydrophobicContact CB-CB 4.1Å; F432-L441 HydrophobicContact CB-CD1 3.57Å; F432-L441 HydrophobicContact CB-CG 3.72Å; F432-L441 HydrophobicContact CD2-CD1 4.39Å; F432-L441 HydrophobicContact CG-CD1 4.22Å; F432-L441 PolarHBondContact O-N 2.89Å; L441-V449 HydrophobicContact CB-CG1 4.49Å; L441-V449 HydrophobicContact CD1-CG1 4.34Å; L441-S450 CarbonylContact C-O 3.59Å; L441-S450 VanDerWaalsContact CA-O 3.28Å; L441-S450 WeakPolarHBondContact CA-O 3.44Å; L441-F468 HydrophobicContact CB-CE2 4.23Å; L441-F468 HydrophobicContact CB-CZ 4.5Å |
| 442 | T | 94.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.3 | 171.8 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | V449 S450 T451 D465 | T442-V449 WeakPolarHBondContact O-CA 3.41Å; T442-S450 PolarHBondContact N-O 3.17Å; T442-S450 PolarHBondContact O-N 3.19Å; T442-T451 WeakPolarHBondContact CG2-O 3.18Å; T442-D465 CarbonylContact C-O 3.57Å; T442-D465 WeakPolarHBondContact CA-O 3.42Å; T442-D465 WeakPolarHBondContact OG1-CB 3.43Å; T442-D465 PolarHBondContact OG1-O 2.77Å; T442-D465 PolarHBondContact OG1-OD2 3.25Å |
| 443 | A | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 108.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | A291 H292 D465 F468 | A291-A443 HydrophobicContact CB-CB 3.49Å; A291-A443 VanDerWaalsContact CB-CB 3.49Å; H292-A443 PolarHBondContact CE1-O 2.71Å; H292-A443 PolarHBondContact ND1-O 3.48Å; A443-D465 PolarHBondContact N-O 3.37Å; A443-F468 HydrophobicContact CB-CE1 3.91Å; A443-F468 HydrophobicContact CB-CZ 4.05Å |
| 444 | R | 93 | Very high | 91.3 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 54% | 0.543 | 27% | 0.274 | S | S | . | . | trans | -61.7 | 166.5 | 178.6 | -62 | -172.3 | -178.4 | -149.8 | -3.9 | 111.2 | L446 G447 A448 S450 | R444-L446 PolarHBondContact O-N 2.99Å; R444-G447 WeakPolarHBondContact O-CA 3.44Å; R444-G447 PolarHBondContact O-N 2.78Å; R444-A448 PolarHBondContact N-O 3.31Å; R444-S450 PolarHBondContact NE-OG 3.06Å; R444-S450 PolarHBondContact NH2-OG 2.85Å | ||
| 445 | K | 89.3 | Confident | 91.3 | Very high | 196 Ų | 196 | 53.4 Ų | 53.4 | 85% | 0.852 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -32.5 | 179.9 | -169.9 | 175.7 | -178.4 | 178.5 | 0 | 115 | ||
| 446 | L | 89.1 | Confident | 91.4 | Very high | 145 Ų | 145 | 51.3 Ų | 51.3 | 76% | 0.759 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 14.9 | 178 | -62.3 | 178.6 | 0 | 0 | 0 | 113.8 | N308 R444 A448 | N308-L446 PolarHBondContact ND2-O 3.24Å; N308-L446 PolarHBondContact OD1-O 3.31Å; R444-L446 PolarHBondContact O-N 2.99Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.37Å |
| 447 | G | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 86 | -15.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S306 A307 R444 V449 | S306-G447 CarbonylContact C-O 3.55Å; A307-G447 PolarHBondContact N-O 3.08Å; R444-G447 WeakPolarHBondContact O-CA 3.44Å; R444-G447 PolarHBondContact O-N 2.78Å; G447-V449 PolarHBondContact O-N 3.5Å |
| 448 | A | 94.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -56.8 | 125.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R444 L446 | R444-A448 PolarHBondContact N-O 3.31Å; L446-A448 VanDerWaalsContact C-N 3.32Å; L446-A448 PolarHBondContact O-N 3.37Å |
| 449 | V | 95.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.1 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | I305 V401 L441 T442 G447 F468 | I305-V449 HydrophobicContact CB-CB 4.21Å; I305-V449 HydrophobicContact CB-CG2 4.49Å; I305-V449 HydrophobicContact CG2-CB 3.94Å; I305-V449 HydrophobicContact CG2-CG2 3.75Å; I305-V449 PolarHBondContact O-N 2.94Å; V401-V449 HydrophobicContact CB-CB 4.5Å; V401-V449 HydrophobicContact CB-CG1 4.25Å; V401-V449 HydrophobicContact CG2-CB 4.48Å; V401-V449 HydrophobicContact CG2-CG1 3.8Å; V401-V449 PolarHBondContact N-O 2.85Å; L441-V449 HydrophobicContact CB-CG1 4.49Å; L441-V449 HydrophobicContact CD1-CG1 4.34Å; T442-V449 WeakPolarHBondContact O-CA 3.41Å; G447-V449 PolarHBondContact O-N 3.5Å; V449-F468 HydrophobicContact CG1-CZ 4.31Å; V449-F468 HydrophobicContact CG2-CE1 4.49Å |
| 450 | S | 93.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | -171.3 | -178.2 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | L441 T442 R444 | L441-S450 CarbonylContact C-O 3.59Å; L441-S450 VanDerWaalsContact CA-O 3.28Å; L441-S450 WeakPolarHBondContact CA-O 3.44Å; T442-S450 PolarHBondContact N-O 3.17Å; T442-S450 PolarHBondContact O-N 3.19Å; R444-S450 PolarHBondContact NE-OG 3.06Å; R444-S450 PolarHBondContact NH2-OG 2.85Å |
| 451 | T | 92 | Very high | 90.4 | Very high | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 148.6 | 167.7 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | L395 Q439 S440 T442 G453 | L395-T451 HydrophobicContact CD1-CG2 3.48Å; L395-T451 VanDerWaalsContact CD1-CG2 3.48Å; L395-T451 HydrophobicContact CD2-CG2 3.87Å; L395-T451 HydrophobicContact CG-CG2 4.01Å; Q439-T451 HydrophobicContact CB-CG2 4.33Å; Q439-T451 PolarHBondContact OE1-OG1 2.88Å; Q439-T451 VanDerWaalsContact OE1-OG1 3.05Å; S440-T451 CarbonylContact O-C 3.57Å; S440-T451 WeakPolarHBondContact O-CA 3.46Å; T442-T451 WeakPolarHBondContact CG2-O 3.18Å; T451-G453 VanDerWaalsContact C-N 3.3Å |
| 452 | S | 89.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -83.2 | -10.9 | 169 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | S440 R454 E466 | S440-S452 PolarHBondContact O-N 3.38Å; S440-S452 PolarHBondContact O-OG 2.95Å; S452-R454 PolarHBondContact O-N 3.15Å; S452-R454 WeakPolarHBondContact OG-CG 3.21Å; S452-R454 PolarHBondContact OG-N 2.75Å; S452-R454 PolarHBondContact OG-O 2.87Å; S452-R454 VanDerWaalsContact OG-O 3.04Å; S452-E466 WeakPolarHBondContact CB-OE1 3.42Å; S452-E466 PolarHBondContact OG-OE1 2.85Å | ||
| 453 | G | 89.1 | Confident | 89.9 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 74.8 | 6.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | T451 | T451-G453 VanDerWaalsContact C-N 3.3Š|
| 454 | R | 91.3 | Very high | 89.7 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 25% | 0.249 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -138.1 | 154.5 | 176.5 | 65.2 | -177.6 | -170 | 142.9 | 5.2 | 111 | Q439 S440 S452 I456 L461 E466 | Q439-R454 CarbonylContact C-O 3.44Å; Q439-R454 WeakPolarHBondContact CA-O 3.37Å; S440-R454 PolarHBondContact N-O 3.3Å; S452-R454 PolarHBondContact O-N 3.15Å; S452-R454 WeakPolarHBondContact OG-CG 3.21Å; S452-R454 PolarHBondContact OG-N 2.75Å; S452-R454 PolarHBondContact OG-O 2.87Å; S452-R454 VanDerWaalsContact OG-O 3.04Å; R454-I456 HydrophobicContact CG-CD1 4.15Å; R454-L461 PolarHBondContact NH2-O 3.03Å; R454-E466 IonicContact CZ-OE1 2.91Å; R454-E466 IonicContact CZ-OE2 3.7Å; R454-E466 IonicContact NE-OE1 2.72Å; R454-E466 PolarHBondContact NE-OE1 2.8Å; R454-E466 IonicContact NE-OE2 2.64Å; R454-E466 IonicContact NH2-OE1 3.75Å; R454-E466 PolarHBondContact NH2-OE1 3.09Å; R454-E466 IonicContact NH2-OE2 2.65Å; R454-E466 PolarHBondContact NH2-OE2 2.67Å |
| 455 | L | 90.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 20% | 0.199 | 31% | 0.311 | C | S | . | . | trans | -86 | 136.4 | 169.5 | -173.2 | 71.2 | 0 | 0 | 0 | 108.9 | R433 G437 Q460 | R433-L455 HydrophobicContact CB-CD1 4.17Å; R433-L455 HydrophobicContact CG-CD1 4.3Å; G437-L455 VanDerWaalsContact O-CD2 3.32Å; G437-L455 WeakPolarHBondContact O-CD2 3.37Å; L455-Q460 PolarHBondContact O-OE1 3.19Å | ||
| 456 | I | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -97.1 | 131.9 | 171 | -60.5 | -53 | 0 | 0 | 0 | 109.2 | L417 V431 R433 S440 R454 Q460 P462 E466 | L417-I456 HydrophobicContact CD2-CG2 4.2Å; V431-I456 HydrophobicContact CG1-CB 4.06Å; V431-I456 HydrophobicContact CG1-CG1 4.19Å; V431-I456 HydrophobicContact CG1-CG2 4.49Å; V431-I456 HydrophobicContact CG2-CG2 4.21Å; R433-I456 WeakPolarHBondContact CD-O 3.2Å; R433-I456 PolarHBondContact NH1-O 3.43Å; S440-I456 WeakPolarHBondContact OG-CB 3.35Å; S440-I456 WeakPolarHBondContact OG-CG1 3.35Å; S440-I456 PolarHBondContact OG-N 3.21Å; R454-I456 HydrophobicContact CG-CD1 4.15Å; I456-Q460 HydrophobicContact CD1-CG 4.36Å; I456-Q460 WeakPolarHBondContact CD1-O 3.3Å; I456-Q460 WeakPolarHBondContact CG2-O 3.36Å; I456-P462 HydrophobicContact CD1-CB 4.44Å; I456-P462 HydrophobicContact CG1-CB 4.33Å; I456-P462 HydrophobicContact CG2-CB 3.87Å; I456-P462 HydrophobicContact CG2-CG 4.03Å; I456-E466 VanDerWaalsContact CD1-OE2 3.31Å; I456-E466 WeakPolarHBondContact CD1-OE2 3.38Å | ||
| 457 | D | 87 | Confident | 90 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -156.4 | -170.9 | 177.9 | 62 | 28.7 | 0 | 0 | 0 | 110.3 | T368 T459 Q460 | T368-D457 HydrophobicContact CG2-CB 4.31Å; D457-T459 PolarHBondContact O-N 3.16Å; D457-T459 WeakPolarHBondContact OD1-CA 3.28Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 PolarHBondContact OD1-N 3.5Å; D457-T459 PolarHBondContact OD1-OG1 3.26Å; D457-Q460 PolarHBondContact N-O 2.98Å; D457-Q460 CarbonylContact O-C 3.5Å; D457-Q460 PolarHBondContact O-N 3.42Å; D457-Q460 PolarHBondContact OD1-N 2.92Å |
| 458 | E | 79.5 | Confident | 90.2 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -57 | -28.2 | 176.7 | 52.8 | -93.1 | -150.4 | 0 | 0 | 114.4 | T368 H372 F377 | T368-E458 WeakPolarHBondContact CA-OE2 3.43Å; T368-E458 WeakPolarHBondContact CG2-OE2 3.31Å; T368-E458 PolarHBondContact N-OE1 3.04Å; T368-E458 PolarHBondContact N-OE2 2.71Å; T368-E458 VanDerWaalsContact N-OE2 3.14Å; H372-E458 HydrophobicContact CB-CB 3.92Å; H372-E458 PolarHBondContact CE1-O 2.8Å; H372-E458 PolarHBondContact ND1-O 3.43Å; F377-E458 HydrophobicContact CD2-CB 4.41Å; F377-E458 HydrophobicContact CE2-CB 4.4Å |
| 459 | T | 83.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 38.2 Ų | 38.2 | 71% | 0.706 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -86.9 | -30.7 | -179 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | D457 | D457-T459 PolarHBondContact O-N 3.16Å; D457-T459 WeakPolarHBondContact OD1-CA 3.28Å; D457-T459 WeakPolarHBondContact OD1-CB 3.45Å; D457-T459 PolarHBondContact OD1-N 3.5Å; D457-T459 PolarHBondContact OD1-OG1 3.26Å |
| 460 | Q | 86.5 | Confident | 90 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -121.7 | 91.6 | -177 | -171.5 | 160.9 | 43.5 | 0 | 0 | 111 | L455 I456 D457 | L455-Q460 PolarHBondContact O-OE1 3.19Å; I456-Q460 HydrophobicContact CD1-CG 4.36Å; I456-Q460 WeakPolarHBondContact CD1-O 3.3Å; I456-Q460 WeakPolarHBondContact CG2-O 3.36Å; D457-Q460 PolarHBondContact N-O 2.98Å; D457-Q460 CarbonylContact O-C 3.5Å; D457-Q460 PolarHBondContact O-N 3.42Å; D457-Q460 PolarHBondContact OD1-N 2.92Å |
| 461 | L | 85.8 | Confident | 90 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 143.3 | -179.2 | -66 | 177.6 | 0 | 0 | 0 | 112.5 | V375 F377 R454 | V375-L461 HydrophobicContact CB-CD2 4.4Å; V375-L461 HydrophobicContact CG2-CD2 4.05Å; F377-L461 HydrophobicContact CE2-CD2 4.21Å; F377-L461 HydrophobicContact CZ-CD2 3.71Å; R454-L461 PolarHBondContact NH2-O 3.03Å |
| 462 | P | 90 | Very high | 90.2 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 145.4 | 178.1 | 26.3 | -31.1 | 0 | 0 | 0 | 112.6 | V419 V431 I456 E466 L467 | V419-P462 HydrophobicContact CG1-CG 4.08Å; V419-P462 HydrophobicContact CG2-CG 4.4Å; V431-P462 HydrophobicContact CG2-CB 4.08Å; V431-P462 HydrophobicContact CG2-CG 4.37Å; I456-P462 HydrophobicContact CD1-CB 4.44Å; I456-P462 HydrophobicContact CG1-CB 4.33Å; I456-P462 HydrophobicContact CG2-CB 3.87Å; I456-P462 HydrophobicContact CG2-CG 4.03Å; P462-E466 VanDerWaalsContact CA-OE2 3.25Å; P462-E466 WeakPolarHBondContact CA-OE2 3.33Å; P462-E466 HydrophobicContact CB-CB 4.25Å; P462-L467 HydrophobicContact CB-CD1 4.3Å; P462-L467 HydrophobicContact CB-CD2 3.73Å; P462-L467 HydrophobicContact CB-CG 3.93Å; P462-L467 HydrophobicContact CG-CD1 4.25Å; P462-L467 HydrophobicContact CG-CD2 3.59Å; P462-L467 HydrophobicContact CG-CG 4.16Å |
| 463 | S | 90.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 37.3 Ų | 37.3 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 166.7 | 163.8 | 51 | 0 | 0 | 0 | 0 | 110.5 | D465 E466 L467 | S463-D465 WeakPolarHBondContact CB-OD1 3.36Å; S463-D465 PolarHBondContact O-N 2.84Å; S463-D465 PolarHBondContact OG-OD1 2.77Å; S463-E466 PolarHBondContact N-OE2 3.29Å; S463-E466 PolarHBondContact O-N 2.85Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 PolarHBondContact OG-OE2 2.81Å; S463-E466 VanDerWaalsContact OG-OE2 3.06Å; S463-L467 WeakPolarHBondContact O-CG 3.47Å |
| 464 | S | 89.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 34.6 Ų | 34.6 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -58.6 | -35.7 | -175.5 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | H292 E466 L467 | H292-S464 WeakPolarHBondContact CB-O 3.46Å; S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 3.39Å; S464-L467 PolarHBondContact O-N 3.22Å |
| 465 | D | 92.7 | Very high | 90.4 | Very high | 51 Ų | 51 | 32.2 Ų | 32.2 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -71.6 | -18.3 | -178.9 | 62.1 | -45.2 | 0 | 0 | 0 | 114.5 | T442 A443 S463 | T442-D465 CarbonylContact C-O 3.57Å; T442-D465 WeakPolarHBondContact CA-O 3.42Å; T442-D465 WeakPolarHBondContact OG1-CB 3.43Å; T442-D465 PolarHBondContact OG1-O 2.77Å; T442-D465 PolarHBondContact OG1-OD2 3.25Å; A443-D465 PolarHBondContact N-O 3.37Å; S463-D465 WeakPolarHBondContact CB-OD1 3.36Å; S463-D465 PolarHBondContact O-N 2.84Å; S463-D465 PolarHBondContact OG-OD1 2.77Å |
| 466 | E | 93.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -88.9 | -7.9 | 176 | -64.1 | 166.3 | 146.8 | 0 | 0 | 112.8 | S452 R454 I456 P462 S463 S464 F468 | S452-E466 WeakPolarHBondContact CB-OE1 3.42Å; S452-E466 PolarHBondContact OG-OE1 2.85Å; R454-E466 IonicContact CZ-OE1 2.91Å; R454-E466 IonicContact CZ-OE2 3.7Å; R454-E466 IonicContact NE-OE1 2.72Å; R454-E466 PolarHBondContact NE-OE1 2.8Å; R454-E466 IonicContact NE-OE2 2.64Å; R454-E466 IonicContact NH2-OE1 3.75Å; R454-E466 PolarHBondContact NH2-OE1 3.09Å; R454-E466 IonicContact NH2-OE2 2.65Å; R454-E466 PolarHBondContact NH2-OE2 2.67Å; I456-E466 VanDerWaalsContact CD1-OE2 3.31Å; I456-E466 WeakPolarHBondContact CD1-OE2 3.38Å; P462-E466 VanDerWaalsContact CA-OE2 3.25Å; P462-E466 WeakPolarHBondContact CA-OE2 3.33Å; P462-E466 HydrophobicContact CB-CB 4.25Å; S463-E466 PolarHBondContact N-OE2 3.29Å; S463-E466 PolarHBondContact O-N 2.85Å; S463-E466 VanDerWaalsContact O-N 3.15Å; S463-E466 PolarHBondContact OG-OE2 2.81Å; S463-E466 VanDerWaalsContact OG-OE2 3.06Å; S464-E466 VanDerWaalsContact C-N 3.29Å; S464-E466 PolarHBondContact O-N 3.39Å; E466-F468 WeakPolarHBondContact O-CD2 3.4Å |
| 467 | L | 92.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | trans | -97.6 | 129.9 | -175.3 | -67.7 | 168 | 0 | 0 | 0 | 110.7 | V419 Q429 V431 P462 S463 S464 | V419-L467 HydrophobicContact CB-CD2 4.45Å; Q429-L467 HydrophobicContact CB-CB 3.72Å; Q429-L467 HydrophobicContact CB-CD2 3.7Å; Q429-L467 HydrophobicContact CB-CG 4.18Å; Q429-L467 HydrophobicContact CG-CB 4Å; Q429-L467 VanDerWaalsContact OE1-CB 3.27Å; V431-L467 HydrophobicContact CG2-CD2 3.83Å; P462-L467 HydrophobicContact CB-CD1 4.3Å; P462-L467 HydrophobicContact CB-CD2 3.73Å; P462-L467 HydrophobicContact CB-CG 3.93Å; P462-L467 HydrophobicContact CG-CD1 4.25Å; P462-L467 HydrophobicContact CG-CD2 3.59Å; P462-L467 HydrophobicContact CG-CG 4.16Å; S463-L467 WeakPolarHBondContact O-CG 3.47Å; S464-L467 PolarHBondContact O-N 3.22Å | ||
| 468 | F | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -122.8 | 155.7 | 177.9 | -60.7 | -95.1 | 0 | 0 | 0 | 110.8 | I289 V290 A291 Q429 I430 F432 L441 A443 V449 E466 | I289-F468 HydrophobicContact CG2-CB 4.11Å; I289-F468 HydrophobicContact CG2-CD1 3.71Å; I289-F468 HydrophobicContact CG2-CG 4.2Å; V290-F468 CarbonylContact O-C 3.47Å; V290-F468 WeakPolarHBondContact O-CA 3.48Å; A291-F468 HydrophobicContact CB-CD1 4.18Å; A291-F468 HydrophobicContact CB-CE1 4.13Å; Q429-F468 CarbonylContact C-O 3.59Å; Q429-F468 WeakPolarHBondContact CA-O 3.48Å; Q429-F468 WeakPolarHBondContact CB-O 3.06Å; I430-F468 HydrophobicContact CG1-CB 4Å; I430-F468 WeakPolarHBondContact CG1-O 3.28Å; I430-F468 PolarHBondContact N-O 2.87Å; I430-F468 PolarHBondContact O-N 3.2Å; F432-F468 HydrophobicContact CD2-CD2 4.33Å; L441-F468 HydrophobicContact CB-CE2 4.23Å; L441-F468 HydrophobicContact CB-CZ 4.5Å; A443-F468 HydrophobicContact CB-CE1 3.91Å; A443-F468 HydrophobicContact CB-CZ 4.05Å; V449-F468 HydrophobicContact CG1-CZ 4.31Å; V449-F468 HydrophobicContact CG2-CE1 4.49Å; E466-F468 WeakPolarHBondContact O-CD2 3.4Å |
| 469 | N | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 149.2 | 164 | -64.3 | -50.6 | 0 | 0 | 0 | 110 | I289 V290 R428 Q429 H515 | I289-N469 CarbonylContact C-O 3.44Å; I289-N469 WeakPolarHBondContact CA-O 3.43Å; V290-N469 HydrophobicContact CB-CB 4.21Å; V290-N469 PolarHBondContact N-O 2.86Å; V290-N469 PolarHBondContact O-N 2.79Å; R428-N469 PolarHBondContact O-OD1 3.38Å; Q429-N469 VanDerWaalsContact CG-OD1 3.29Å; Q429-N469 WeakPolarHBondContact CG-OD1 3.27Å; N469-H515 HydrophobicContact CB-CB 4.1Å; N469-H515 PolarHBondContact ND2-ND1 2.98Å; N469-H515 VanDerWaalsContact ND2-ND1 3.16Å |
| 470 | I | 93.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 10% | 0.097 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.3 | 177.3 | -170.2 | 163.4 | 0 | 0 | 0 | 109.6 | V287 G288 I289 L320 M416 I430 F570 | V287-I470 HydrophobicContact CB-CD1 4.16Å; V287-I470 HydrophobicContact CB-CG1 3.7Å; V287-I470 HydrophobicContact CG1-CD1 4.02Å; V287-I470 HydrophobicContact CG1-CG1 3.77Å; V287-I470 HydrophobicContact CG2-CD1 4Å; V287-I470 HydrophobicContact CG2-CG1 3.99Å; G288-I470 WeakPolarHBondContact O-CA 3.3Å; I289-I470 HydrophobicContact CD1-CB 4.22Å; I289-I470 HydrophobicContact CD1-CD1 3.93Å; I289-I470 HydrophobicContact CD1-CG1 3.81Å; L320-I470 HydrophobicContact CD1-CD1 4.14Å; L320-I470 HydrophobicContact CD2-CD1 3.61Å; L320-I470 HydrophobicContact CG-CD1 4.38Å; M416-I470 HydrophobicContact SD-CD1 4.28Å; I430-I470 HydrophobicContact CD1-CB 3.84Å; I430-I470 HydrophobicContact CD1-CD1 4.18Å; I430-I470 HydrophobicContact CD1-CG2 4.05Å; I430-I470 HydrophobicContact CG2-CG2 4.29Å; I470-F570 HydrophobicContact CD1-CD2 4.21Å; I470-F570 HydrophobicContact CD1-CE2 4.21Å; I470-F570 HydrophobicContact CG1-CE2 4.08Å; I470-F570 HydrophobicContact CG2-CD2 4.1Å; I470-F570 HydrophobicContact CG2-CE2 3.87Å |
| 471 | I | 93.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.8 | -173.5 | -55.4 | -178.5 | 0 | 0 | 0 | 108.9 | V287 G288 V290 F296 T473 V511 H515 Y517 | V287-I471 CarbonylContact C-O 3.56Å; V287-I471 WeakPolarHBondContact CA-O 3.47Å; V287-I471 WeakPolarHBondContact CB-O 3.32Å; G288-I471 PolarHBondContact N-O 3.04Å; G288-I471 PolarHBondContact O-N 2.98Å; V290-I471 HydrophobicContact CG2-CD1 3.72Å; V290-I471 HydrophobicContact CG2-CG1 4.37Å; F296-I471 HydrophobicContact CE1-CD1 4Å; F296-I471 HydrophobicContact CZ-CD1 4.33Å; I471-T473 WeakPolarHBondContact O-CG2 3.21Å; I471-V511 HydrophobicContact CD1-CG1 4.24Å; I471-V511 HydrophobicContact CG2-CB 4.33Å; I471-V511 HydrophobicContact CG2-CG1 3.64Å; I471-V511 HydrophobicContact CG2-CG2 3.73Å; I471-H515 HydrophobicContact CD1-CB 3.65Å; I471-H515 WeakPolarHBondContact CD1-CD2 3.28Å; I471-H515 HydrophobicContact CG1-CB 3.88Å; I471-Y517 WeakPolarHBondContact CA-OH 3.46Å |
| 472 | L | 94.8 | Very high | 93 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 130.7 | 173.1 | -172.5 | 63.1 | 0 | 0 | 0 | 110.2 | L285 R475 I478 Y517 L568 F570 | L285-L472 HydrophobicContact CD2-CD1 4Å; L472-R475 HydrophobicContact CD2-CB 4.19Å; L472-R475 HydrophobicContact CD2-CG 3.68Å; L472-R475 HydrophobicContact CG-CB 4.48Å; L472-R475 HydrophobicContact CG-CG 4.1Å; L472-I478 HydrophobicContact CD2-CD1 4.2Å; L472-Y517 HydrophobicContact CB-CE1 4.25Å; L472-Y517 PolarHBondContact N-OH 3.1Å; L472-L568 HydrophobicContact CD2-CD1 4.48Å; L472-F570 HydrophobicContact CB-CZ 4.32Å |
| 473 | T | 92.9 | Very high | 92.9 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | trans | -120.9 | -28 | -169.7 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | Q286 L312 I471 R475 | Q286-T473 VanDerWaalsContact C-OG1 3.27Å; Q286-T473 PolarHBondContact O-N 2.8Å; Q286-T473 PolarHBondContact O-OG1 3.05Å; L312-T473 HydrophobicContact CD1-CG2 3.81Å; L312-T473 HydrophobicContact CD2-CG2 4.23Å; I471-T473 WeakPolarHBondContact O-CG2 3.21Å; T473-R475 VanDerWaalsContact C-N 3.3Å; T473-R475 PolarHBondContact O-N 2.72Å | ||
| 474 | N | 92.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -92.9 | 29.3 | -176.6 | 68.6 | -26.9 | 0 | 0 | 0 | 113.9 | V174 A284 Q286 | V174-N474 WeakPolarHBondContact CG2-O 3.33Å; A284-N474 PolarHBondContact O-ND2 2.74Å; Q286-N474 HydrophobicContact CB-CB 3.8Å; Q286-N474 HydrophobicContact CG-CB 4.14Å; Q286-N474 PolarHBondContact N-OD1 3.26Å; Q286-N474 PolarHBondContact NE2-ND2 2.88Å |
| 475 | R | 90.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 6% | 0.057 | 8% | 0.084 | C | C | . | . | trans | -130.7 | 115 | 174.6 | -64.9 | -64.6 | -164.6 | -67.4 | -9.2 | 110.3 | V283 A284 L472 T473 I509 I618 | V283-R475 VanDerWaalsContact CB-NH2 3.31Å; A284-R475 PolarHBondContact O-NH1 3.46Å; L472-R475 HydrophobicContact CD2-CB 4.19Å; L472-R475 HydrophobicContact CD2-CG 3.68Å; L472-R475 HydrophobicContact CG-CB 4.48Å; L472-R475 HydrophobicContact CG-CG 4.1Å; T473-R475 VanDerWaalsContact C-N 3.3Å; T473-R475 PolarHBondContact O-N 2.72Å; R475-I509 HydrophobicContact CB-CD1 3.57Å; R475-I509 HydrophobicContact CG-CD1 4.43Å; R475-I618 PolarHBondContact NH2-OXT 3.25Å | ||
| 476 | T | 89.5 | Confident | 91.9 | Very high | 71 Ų | 71 | 13.8 Ų | 13.8 | 44% | 0.436 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -79.7 | -31.3 | 164.6 | 53 | 0 | 0 | 0 | 0 | 111.1 | P171 Y508 I509 | P171-T476 HydrophobicContact CB-CG2 4.33Å; T476-Y508 WeakPolarHBondContact O-CA 3.32Å; T476-I509 PolarHBondContact O-N 3.13Å; T476-I509 VanDerWaalsContact O-N 3.11Å |
| 477 | S | 94.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 6% | 0.063 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.7 | 169.7 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | Q140 W176 F507 | Q140-S477 PolarHBondContact NE2-O 2.76Å; W176-S477 WeakPolarHBondContact CZ2-OG 3.44Å; S477-F507 CarbonylContact C-O 3.38Å; S477-F507 WeakPolarHBondContact CA-O 3.25Å; S477-F507 WeakPolarHBondContact CB-O 3.35Å |
| 478 | I | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.1 | -175.5 | -164.5 | 162.2 | 0 | 0 | 0 | 109.7 | L472 F480 F507 I509 F519 L568 I618 | L472-I478 HydrophobicContact CD2-CD1 4.2Å; I478-F480 HydrophobicContact CD1-CE1 3.93Å; I478-F480 HydrophobicContact CD1-CZ 3.97Å; I478-F480 HydrophobicContact CG1-CE1 4.28Å; I478-F480 HydrophobicContact CG1-CZ 4.2Å; I478-F480 HydrophobicContact CG2-CD2 4.31Å; I478-F480 HydrophobicContact CG2-CE1 4.42Å; I478-F480 HydrophobicContact CG2-CE2 3.47Å; I478-F480 VanDerWaalsContact CG2-CE2 3.47Å; I478-F480 HydrophobicContact CG2-CZ 3.54Å; I478-F507 HydrophobicContact CG2-CB 4.31Å; I478-F507 PolarHBondContact N-O 3.32Å; I478-F507 PolarHBondContact O-N 2.79Å; I478-I509 HydrophobicContact CB-CD1 3.56Å; I478-I509 HydrophobicContact CB-CG1 4.13Å; I478-I509 HydrophobicContact CD1-CD1 4.08Å; I478-I509 HydrophobicContact CG1-CD1 4.45Å; I478-I509 HydrophobicContact CG2-CD1 3.61Å; I478-I509 HydrophobicContact CG2-CG1 3.7Å; I478-F519 HydrophobicContact CG2-CD1 4.14Å; I478-F519 HydrophobicContact CG2-CE1 3.99Å; I478-L568 HydrophobicContact CD1-CD1 4.46Å; I478-I618 HydrophobicContact CD1-CB 3.77Å; I478-I618 HydrophobicContact CD1-CD1 4.08Å; I478-I618 HydrophobicContact CD1-CG2 3.7Å; I478-I618 HydrophobicContact CG1-CB 3.97Å; I478-I618 HydrophobicContact CG1-CG2 3.98Å |
| 479 | V | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -116 | 145.3 | 168.2 | 174.8 | 0 | 0 | 0 | 0 | 107 | H138 P139 W176 F488 Y504 | H138-V479 PolarHBondContact NE2-O 2.94Å; P139-V479 HydrophobicContact CG-CB 4.38Å; P139-V479 HydrophobicContact CG-CG1 4.4Å; P139-V479 HydrophobicContact CG-CG2 4.12Å; W176-V479 HydrophobicContact CH2-CG2 3.5Å; W176-V479 HydrophobicContact CZ3-CG2 3.61Å; V479-F488 HydrophobicContact CG1-CB 4.39Å; V479-F488 HydrophobicContact CG1-CD1 3.23Å; V479-F488 HydrophobicContact CG1-CE1 3.67Å; V479-F488 HydrophobicContact CG1-CG 4.04Å; V479-Y504 HydrophobicContact CG1-CG 4.5Å; V479-Y504 HydrophobicContact CG2-CD2 4.12Å; V479-Y504 HydrophobicContact CG2-CG 4.4Å | ||
| 480 | F | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -114.7 | 121.7 | 175.6 | -60.4 | -82.3 | 0 | 0 | 0 | 109.3 | I478 F488 L489 F507 F519 W531 L568 I578 W616 E617 I618 | I478-F480 HydrophobicContact CD1-CE1 3.93Å; I478-F480 HydrophobicContact CD1-CZ 3.97Å; I478-F480 HydrophobicContact CG1-CE1 4.28Å; I478-F480 HydrophobicContact CG1-CZ 4.2Å; I478-F480 HydrophobicContact CG2-CD2 4.31Å; I478-F480 HydrophobicContact CG2-CE1 4.42Å; I478-F480 HydrophobicContact CG2-CE2 3.47Å; I478-F480 VanDerWaalsContact CG2-CE2 3.47Å; I478-F480 HydrophobicContact CG2-CZ 3.54Å; F480-F488 CarbonylContact O-C 3.6Å; F480-F488 VanDerWaalsContact O-CA 3.29Å; F480-F488 WeakPolarHBondContact O-CA 3.46Å; F480-L489 HydrophobicContact CB-CB 3.84Å; F480-L489 HydrophobicContact CB-CD2 4.09Å; F480-L489 HydrophobicContact CD2-CD2 4.05Å; F480-L489 HydrophobicContact CG-CD2 4.3Å; F480-L489 PolarHBondContact O-N 3.26Å; F480-F507 AromaticContact CD2-CD2 3.88Å; F480-F507 HydrophobicContact CD2-CD2 3.88Å; F480-F507 HydrophobicContact CD2-CE2 4.3Å; F480-F507 HydrophobicContact CE2-CD2 4.1Å; F480-F519 HydrophobicContact CE2-CD1 4.33Å; F480-F519 HydrophobicContact CE2-CE1 4.23Å; F480-F519 HydrophobicContact CE2-CZ 4.43Å; F480-F519 HydrophobicContact CZ-CD1 4.32Å; F480-F519 AromaticContact CZ-CE1 3.76Å; F480-F519 HydrophobicContact CZ-CE1 3.76Å; F480-F519 HydrophobicContact CZ-CE2 4.24Å; F480-F519 AromaticContact CZ-CZ 3.73Å; F480-F519 HydrophobicContact CZ-CZ 3.73Å; F480-W531 AromaticContact CD2-CH2 3.69Å; F480-W531 HydrophobicContact CD2-CH2 3.69Å; F480-W531 AromaticContact CD2-CZ2 3.81Å; F480-W531 HydrophobicContact CD2-CZ2 3.81Å; F480-W531 AromaticContact CE2-CH2 3.5Å; F480-W531 HydrophobicContact CE2-CH2 3.5Å; F480-W531 AromaticContact CE2-CZ2 3.7Å; F480-W531 HydrophobicContact CE2-CZ2 3.7Å; F480-W531 HydrophobicContact CG-CH2 4.49Å; F480-W531 HydrophobicContact CZ-CH2 4.2Å; F480-L568 HydrophobicContact CE1-CD2 4.19Å; F480-I578 HydrophobicContact CD1-CD1 3.51Å; F480-I578 HydrophobicContact CD1-CG1 4.34Å; F480-I578 HydrophobicContact CE1-CD1 3.62Å; F480-I578 HydrophobicContact CE1-CG1 4.13Å; F480-I578 HydrophobicContact CG-CD1 4.01Å; F480-I578 HydrophobicContact CZ-CD1 4.2Å; F480-W616 HydrophobicContact CB-CB 4.49Å; F480-W616 HydrophobicContact CB-CD2 4.43Å; F480-W616 HydrophobicContact CB-CE3 3.81Å; F480-W616 HydrophobicContact CB-CZ3 4.49Å; F480-W616 HydrophobicContact CD1-CB 4.25Å; F480-E617 WeakPolarHBondContact CA-O 3.26Å; F480-I618 HydrophobicContact CD1-CG2 3.36Å; F480-I618 HydrophobicContact CE1-CG2 3.55Å; F480-I618 HydrophobicContact CG-CG2 4.4Å | ||
| 481 | L | 93.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 16 Ų | 16 | 6% | 0.063 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122.4 | 175.2 | 174.6 | 61.8 | 0 | 0 | 0 | 109.6 | S483 G486 F488 W616 E617 | L481-S483 PolarHBondContact O-N 2.86Å; L481-G486 VanDerWaalsContact CD1-C 3.42Å; L481-G486 WeakPolarHBondContact CD1-O 3.47Å; L481-F488 HydrophobicContact CB-CD1 3.8Å; L481-F488 HydrophobicContact CB-CE1 3.79Å; L481-F488 HydrophobicContact CD1-CD1 3.91Å; L481-F488 HydrophobicContact CD1-CE1 3.9Å; L481-F488 HydrophobicContact CD1-CG 4.32Å; L481-F488 HydrophobicContact CD1-CZ 4.26Å; L481-F488 HydrophobicContact CD2-CE1 4.3Å; L481-F488 HydrophobicContact CG-CD1 4.41Å; L481-F488 HydrophobicContact CG-CE1 4.22Å; L481-W616 CarbonylContact O-C 3.49Å; L481-W616 WeakPolarHBondContact O-CA 3.5Å; L481-E617 HydrophobicContact CB-CB 4.13Å; L481-E617 PolarHBondContact N-O 3.28Å; L481-E617 PolarHBondContact O-N 3.01Å |
| 482 | S | 92.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 122.7 | 177.5 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | L484 T485 G486 G487 S594 | S482-L484 PolarHBondContact O-N 2.87Å; S482-L484 PolarHBondContact OG-N 3.03Å; S482-T485 VanDerWaalsContact CB-OG1 3.25Å; S482-T485 WeakPolarHBondContact CB-OG1 3.4Å; S482-T485 PolarHBondContact OG-N 3.28Å; S482-T485 PolarHBondContact OG-OG1 3.27Å; S482-G486 WeakPolarHBondContact O-CA 3.36Å; S482-G486 PolarHBondContact O-N 3.28Å; S482-G487 WeakPolarHBondContact CB-O 3.41Å; S482-G487 PolarHBondContact N-O 3.25Å; S482-S594 VanDerWaalsContact OG-CB 3.26Å; S482-S594 WeakPolarHBondContact OG-CB 3.28Å; S482-S594 PolarHBondContact OG-OG 3.01Å |
| 483 | S | 88.4 | Confident | 91.5 | Very high | 27 Ų | 27 | 25 Ų | 25 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.8 | 176 | -59.4 | 0 | 0 | 0 | 0 | 112.8 | L481 V612 I615 | L481-S483 PolarHBondContact O-N 2.86Å; S483-V612 WeakPolarHBondContact O-CG2 3.35Å; S483-I615 VanDerWaalsContact CB-O 3.26Å; S483-I615 WeakPolarHBondContact CB-O 3.25Å; S483-I615 PolarHBondContact N-O 2.9Å; S483-I615 WeakPolarHBondContact OG-CG2 3.33Å; S483-I615 PolarHBondContact OG-O 3.26Å |
| 484 | L | 86.3 | Confident | 91.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -50.2 | 178.9 | 173.8 | 72.2 | 0 | 0 | 0 | 112.4 | R45 S482 S594 I596 V612 N613 | R45-L484 PolarHBondContact NH1-O 2.8Å; S482-L484 PolarHBondContact O-N 2.87Å; S482-L484 PolarHBondContact OG-N 3.03Å; L484-S594 VanDerWaalsContact CD2-O 3.26Å; L484-S594 WeakPolarHBondContact CD2-O 3.48Å; L484-I596 HydrophobicContact CD1-CG1 4.41Å; L484-I596 HydrophobicContact CD2-CG1 4.15Å; L484-V612 HydrophobicContact CB-CG1 4.41Å; L484-V612 HydrophobicContact CB-CG2 4.22Å; L484-V612 HydrophobicContact CD1-CG1 3.75Å; L484-N613 HydrophobicContact CD2-CB 4.37Å; L484-N613 VanDerWaalsContact CD2-ND2 3.28Å; L484-N613 WeakPolarHBondContact CD2-ND2 3.31Å |
| 485 | T | 84.6 | Confident | 91.5 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -21.8 | -171.2 | 63 | 0 | 0 | 0 | 0 | 112.3 | S482 G487 S499 S594 E595 | S482-T485 VanDerWaalsContact CB-OG1 3.25Å; S482-T485 WeakPolarHBondContact CB-OG1 3.4Å; S482-T485 PolarHBondContact OG-N 3.28Å; S482-T485 PolarHBondContact OG-OG1 3.27Å; T485-G487 PolarHBondContact O-N 2.93Å; T485-G487 PolarHBondContact OG1-N 2.92Å; T485-G487 VanDerWaalsContact OG1-N 3.1Å; T485-S499 WeakPolarHBondContact CB-O 3.25Å; T485-S499 PolarHBondContact OG1-O 2.75Å; T485-S594 WeakPolarHBondContact CG2-OG 3.39Å; T485-E595 WeakPolarHBondContact CG2-O 3.37Å |
| 486 | G | 81 | Confident | 91.8 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 67.3 | 13.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113 | L481 S482 | L481-G486 VanDerWaalsContact CD1-C 3.42Å; L481-G486 WeakPolarHBondContact CD1-O 3.47Å; S482-G486 WeakPolarHBondContact O-CA 3.36Å; S482-G486 PolarHBondContact O-N 3.28Å |
| 487 | G | 85.5 | Confident | 92.2 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -101.9 | 149.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S482 T485 S499 G501 | S482-G487 WeakPolarHBondContact CB-O 3.41Å; S482-G487 PolarHBondContact N-O 3.25Å; T485-G487 PolarHBondContact O-N 2.93Å; T485-G487 PolarHBondContact OG1-N 2.92Å; T485-G487 VanDerWaalsContact OG1-N 3.1Å; G487-S499 WeakPolarHBondContact CA-O 3.28Å; G487-G501 CarbonylContact C-O 3.58Å; G487-G501 WeakPolarHBondContact CA-O 3.26Å |
| 488 | F | 91.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 144.2 | 177.3 | -63.5 | -73.7 | 0 | 0 | 0 | 111.4 | V479 F480 L481 V490 S499 G501 V502 Y504 | V479-F488 HydrophobicContact CG1-CB 4.39Å; V479-F488 HydrophobicContact CG1-CD1 3.23Å; V479-F488 HydrophobicContact CG1-CE1 3.67Å; V479-F488 HydrophobicContact CG1-CG 4.04Å; F480-F488 CarbonylContact O-C 3.6Å; F480-F488 VanDerWaalsContact O-CA 3.29Å; F480-F488 WeakPolarHBondContact O-CA 3.46Å; L481-F488 HydrophobicContact CB-CD1 3.8Å; L481-F488 HydrophobicContact CB-CE1 3.79Å; L481-F488 HydrophobicContact CD1-CD1 3.91Å; L481-F488 HydrophobicContact CD1-CE1 3.9Å; L481-F488 HydrophobicContact CD1-CG 4.32Å; L481-F488 HydrophobicContact CD1-CZ 4.26Å; L481-F488 HydrophobicContact CD2-CE1 4.3Å; L481-F488 HydrophobicContact CG-CD1 4.41Å; L481-F488 HydrophobicContact CG-CE1 4.22Å; F488-V490 HydrophobicContact CB-CG1 4.39Å; F488-V490 PolarHBondContact O-N 2.78Å; F488-S499 WeakPolarHBondContact O-CA 3.03Å; F488-G501 PolarHBondContact N-O 3.42Å; F488-V502 VanDerWaalsContact CD2-C 3.44Å; F488-V502 WeakPolarHBondContact CD2-O 3.37Å; F488-V502 HydrophobicContact CE2-CB 4.45Å; F488-V502 WeakPolarHBondContact CE2-O 3.43Å; F488-Y504 HydrophobicContact CE2-CD1 4.32Å |
| 489 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.5 | 171 | -168.7 | 61.1 | 0 | 0 | 0 | 109.8 | F480 L497 D498 F507 W531 V600 W616 | F480-L489 HydrophobicContact CB-CB 3.84Å; F480-L489 HydrophobicContact CB-CD2 4.09Å; F480-L489 HydrophobicContact CD2-CD2 4.05Å; F480-L489 HydrophobicContact CG-CD2 4.3Å; F480-L489 PolarHBondContact O-N 3.26Å; L489-L497 HydrophobicContact CD1-CB 3.8Å; L489-L497 HydrophobicContact CD1-CD1 4.2Å; L489-L497 HydrophobicContact CD2-CD1 4.19Å; L489-L497 HydrophobicContact CG-CD1 4.17Å; L489-D498 CarbonylContact C-O 3.51Å; L489-D498 VanDerWaalsContact CA-O 3.28Å; L489-D498 WeakPolarHBondContact CA-O 2.93Å; L489-F507 HydrophobicContact CB-CE2 4.3Å; L489-F507 HydrophobicContact CD2-CE2 4.48Å; L489-F507 HydrophobicContact CG-CE2 4.24Å; L489-F507 VanDerWaalsContact O-CE2 3.3Å; L489-F507 WeakPolarHBondContact O-CE2 3.45Å; L489-W531 HydrophobicContact CD2-CH2 3.17Å; L489-W531 HydrophobicContact CD2-CZ2 3.3Å; L489-W531 HydrophobicContact CD2-CZ3 4.19Å; L489-W531 HydrophobicContact CG-CH2 4.47Å; L489-W531 HydrophobicContact CG-CZ2 4.22Å; L489-V600 HydrophobicContact CD1-CB 4.11Å; L489-V600 HydrophobicContact CD1-CG1 3.93Å; L489-V600 HydrophobicContact CD1-CG2 3.68Å; L489-W616 HydrophobicContact CB-CE3 4.49Å; L489-W616 HydrophobicContact CB-CH2 4.5Å; L489-W616 HydrophobicContact CB-CZ3 3.87Å; L489-W616 HydrophobicContact CD1-CH2 3.9Å; L489-W616 HydrophobicContact CD1-CZ3 4.13Å; L489-W616 HydrophobicContact CD2-CH2 4.49Å; L489-W616 HydrophobicContact CD2-CZ3 4.35Å; L489-W616 HydrophobicContact CG-CZ3 4.37Å |
| 490 | V | 95 | Very high | 91.5 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 167.1 | -176.8 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | F488 G492 L497 D498 A503 E505 | F488-V490 HydrophobicContact CB-CG1 4.39Å; F488-V490 PolarHBondContact O-N 2.78Å; V490-G492 PolarHBondContact O-N 3.37Å; V490-L497 CarbonylContact O-C 3.4Å; V490-L497 VanDerWaalsContact O-CA 3.31Å; V490-L497 WeakPolarHBondContact O-CA 3.3Å; V490-L497 WeakPolarHBondContact O-CD2 3.23Å; V490-D498 PolarHBondContact N-O 3.31Å; V490-D498 PolarHBondContact O-N 2.82Å; V490-A503 WeakPolarHBondContact CG1-O 3.1Å; V490-E505 HydrophobicContact CB-CB 4.16Å; V490-E505 HydrophobicContact CG1-CB 3.77Å |
| 491 | R | 94.7 | Very high | 90.7 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 113.1 | 167.3 | -173.2 | -178.7 | -48.2 | -163.8 | 1.8 | 111.2 | N495 E505 N523 L541 | R491-N495 WeakPolarHBondContact CD-OD1 3.21Å; R491-E505 VanDerWaalsContact CB-OE2 3.23Å; R491-E505 WeakPolarHBondContact CB-OE2 3.26Å; R491-E505 IonicContact CZ-OE1 2.68Å; R491-E505 PolarHBondContact N-OE2 2.93Å; R491-E505 IonicContact NE-OE1 3.69Å; R491-E505 IonicContact NH2-OE1 3.96Å; R491-E505 PolarHBondContact NH2-OE1 3.01Å; R491-N523 PolarHBondContact NH1-OD1 2.72Å; R491-N523 PolarHBondContact NH2-OD1 3.39Å; R491-L541 HydrophobicContact CB-CD1 3.68Å; R491-L541 HydrophobicContact CG-CD1 3.84Å; R491-L541 VanDerWaalsContact NE-CD1 3.35Å |
| 492 | G | 92.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | trans | -92.3 | -158 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V490 N495 I496 D498 | V490-G492 PolarHBondContact O-N 3.37Å; G492-N495 PolarHBondContact O-N 2.97Å; G492-I496 CarbonylContact C-O 2.94Å; G492-I496 WeakPolarHBondContact CA-O 3.48Å; G492-I496 PolarHBondContact N-O 2.95Å; G492-D498 WeakPolarHBondContact CA-OD2 3.31Å | ||
| 493 | K | 90.8 | Very high | 89.3 | Confident | 184 Ų | 184 | 42.2 Ų | 42.2 | 80% | 0.8 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -64.3 | 140.9 | 179.1 | -67.2 | 179.4 | -178.6 | 175.2 | 0 | 110.5 | N495 I496 | K493-N495 PolarHBondContact O-N 2.98Å; K493-N495 VanDerWaalsContact O-N 3.11Å; K493-I496 PolarHBondContact O-N 3.2Å |
| 494 | Q | 92.4 | Very high | 89.3 | Confident | 171 Ų | 171 | 43.9 Ų | 43.9 | 80% | 0.799 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | 54.5 | 28.3 | -180 | -59.6 | 174.1 | -30.9 | 0 | 0 | 113.1 | I496 | Q494-I496 PolarHBondContact O-N 3.05Š|
| 495 | N | 94.6 | Very high | 89.6 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | 64.5 | 8 | -176.2 | -56.1 | -40.1 | 0 | 0 | 0 | 115.7 | R491 G492 K493 Q540 L541 | R491-N495 WeakPolarHBondContact CD-OD1 3.21Å; G492-N495 PolarHBondContact O-N 2.97Å; K493-N495 PolarHBondContact O-N 2.98Å; K493-N495 VanDerWaalsContact O-N 3.11Å; N495-Q540 CarbonylContact O-C 3.32Å; N495-Q540 VanDerWaalsContact O-CA 3.28Å; N495-Q540 WeakPolarHBondContact O-CA 3.4Å; N495-Q540 WeakPolarHBondContact O-CB 3.1Å; N495-L541 HydrophobicContact CB-CB 4.16Å; N495-L541 VanDerWaalsContact CB-O 3.29Å; N495-L541 WeakPolarHBondContact CB-O 3.23Å; N495-L541 PolarHBondContact O-N 3.43Å |
| 496 | I | 96.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 31% | 0.308 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -70.6 | 133.7 | 170.4 | -59.5 | 174.8 | 0 | 0 | 0 | 107.9 | G492 K493 Q494 T538 Q540 | G492-I496 CarbonylContact C-O 2.94Å; G492-I496 WeakPolarHBondContact CA-O 3.48Å; G492-I496 PolarHBondContact N-O 2.95Å; K493-I496 PolarHBondContact O-N 3.2Å; Q494-I496 PolarHBondContact O-N 3.05Å; I496-T538 HydrophobicContact CD1-CG2 4.28Å; I496-T538 HydrophobicContact CG1-CG2 4.08Å; I496-T538 HydrophobicContact CG2-CG2 4.34Å; I496-Q540 HydrophobicContact CG1-CB 4.48Å |
| 497 | L | 97.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.7 | -179.7 | -64 | -174.1 | 0 | 0 | 0 | 111.1 | L489 V490 F507 W531 L539 L541 V600 | L489-L497 HydrophobicContact CD1-CB 3.8Å; L489-L497 HydrophobicContact CD1-CD1 4.2Å; L489-L497 HydrophobicContact CD2-CD1 4.19Å; L489-L497 HydrophobicContact CG-CD1 4.17Å; V490-L497 CarbonylContact O-C 3.4Å; V490-L497 VanDerWaalsContact O-CA 3.31Å; V490-L497 WeakPolarHBondContact O-CA 3.3Å; V490-L497 WeakPolarHBondContact O-CD2 3.23Å; L497-F507 HydrophobicContact CD2-CZ 4.3Å; L497-W531 HydrophobicContact CD1-CD2 3.85Å; L497-W531 HydrophobicContact CD1-CE3 4.39Å; L497-W531 HydrophobicContact CD1-CG 4.26Å; L497-W531 HydrophobicContact CD1-CH2 4.49Å; L497-W531 HydrophobicContact CD1-CZ2 3.93Å; L497-L539 HydrophobicContact CD1-CD2 3.74Å; L497-L539 HydrophobicContact CD1-CG 3.74Å; L497-L539 HydrophobicContact CG-CG 4.34Å; L497-L539 PolarHBondContact N-O 2.79Å; L497-L541 HydrophobicContact CD2-CD1 3.85Å; L497-L541 HydrophobicContact CD2-CD2 4.45Å; L497-L541 HydrophobicContact CD2-CG 3.74Å; L497-V600 WeakPolarHBondContact O-CB 3.49Å |
| 498 | D | 94.9 | Very high | 91.4 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166 | 173 | 80.7 | 54.7 | 0 | 0 | 0 | 111.3 | L489 V490 G492 N500 G598 | L489-D498 CarbonylContact C-O 3.51Å; L489-D498 VanDerWaalsContact CA-O 3.28Å; L489-D498 WeakPolarHBondContact CA-O 2.93Å; V490-D498 PolarHBondContact N-O 3.31Å; V490-D498 PolarHBondContact O-N 2.82Å; G492-D498 WeakPolarHBondContact CA-OD2 3.31Å; D498-N500 VanDerWaalsContact CG-ND2 3.27Å; D498-N500 PolarHBondContact OD1-N 2.63Å; D498-N500 PolarHBondContact OD1-ND2 2.93Å; D498-N500 VanDerWaalsContact OD1-ND2 3.11Å; D498-N500 PolarHBondContact OD2-ND2 2.86Å; D498-G598 CarbonylContact C-O 3.48Å; D498-G598 WeakPolarHBondContact CA-O 3.33Å |
| 499 | S | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 35.6 | -175.7 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | T485 G487 F488 S594 G598 V600 | T485-S499 WeakPolarHBondContact CB-O 3.25Å; T485-S499 PolarHBondContact OG1-O 2.75Å; G487-S499 WeakPolarHBondContact CA-O 3.28Å; F488-S499 WeakPolarHBondContact O-CA 3.03Å; S499-S594 PolarHBondContact OG-OG 3.47Å; S499-G598 PolarHBondContact N-O 3.27Å; S499-G598 PolarHBondContact OG-O 2.61Å; S499-G598 VanDerWaalsContact OG-O 3.05Å; S499-V600 VanDerWaalsContact OG-CG2 3.27Å; S499-V600 WeakPolarHBondContact OG-CG2 3.44Å |
| 500 | N | 84.6 | Confident | 91.4 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -10 | -168.8 | 73.3 | 49.4 | 0 | 0 | 0 | 114.7 | R44 D498 | R44-N500 PolarHBondContact NH1-O 2.73Å; D498-N500 VanDerWaalsContact CG-ND2 3.27Å; D498-N500 PolarHBondContact OD1-N 2.63Å; D498-N500 PolarHBondContact OD1-ND2 2.93Å; D498-N500 VanDerWaalsContact OD1-ND2 3.11Å; D498-N500 PolarHBondContact OD2-ND2 2.86Å |
| 501 | G | 78.3 | Confident | 91.2 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 19% | 0.186 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 170.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G487 F488 | G487-G501 CarbonylContact C-O 3.58Å; G487-G501 WeakPolarHBondContact CA-O 3.26Å; F488-G501 PolarHBondContact N-O 3.42Å |
| 502 | V | 75.1 | Confident | 91 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -99.7 | 1 | -179.7 | -65.8 | 0 | 0 | 0 | 0 | 114.6 | L43 F488 Y504 | L43-V502 HydrophobicContact CB-CB 4.34Å; L43-V502 HydrophobicContact CB-CG1 3.99Å; L43-V502 HydrophobicContact CB-CG2 3.58Å; L43-V502 HydrophobicContact CD2-CB 4.19Å; L43-V502 HydrophobicContact CD2-CG1 3.88Å; L43-V502 HydrophobicContact CD2-CG2 3.98Å; L43-V502 HydrophobicContact CG-CB 4.38Å; L43-V502 HydrophobicContact CG-CG1 3.72Å; L43-V502 HydrophobicContact CG-CG2 4.11Å; L43-V502 VanDerWaalsContact O-CG1 3.31Å; L43-V502 WeakPolarHBondContact O-CG1 3.28Å; F488-V502 VanDerWaalsContact CD2-C 3.44Å; F488-V502 WeakPolarHBondContact CD2-O 3.37Å; F488-V502 HydrophobicContact CE2-CB 4.45Å; F488-V502 WeakPolarHBondContact CE2-O 3.43Å; V502-Y504 PolarHBondContact O-N 2.86Å |
| 503 | A | 81.5 | Confident | 90.6 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 63% | 0.628 | 26% | 0.264 | S | S | * | . | trans | -73.3 | 127.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | V490 | V490-A503 WeakPolarHBondContact CG1-O 3.1Š| ||
| 504 | Y | 89.4 | Confident | 90.3 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | trans | -94.6 | 151.3 | 176.7 | 55 | -96.8 | 0 | 0 | 0 | 111 | P139 W176 E178 V479 F488 V502 | P139-Y504 HydrophobicContact CB-CD1 4Å; P139-Y504 HydrophobicContact CB-CE1 3.72Å; P139-Y504 HydrophobicContact CG-CD1 3.8Å; P139-Y504 HydrophobicContact CG-CD2 4.23Å; P139-Y504 HydrophobicContact CG-CE1 4.02Å; P139-Y504 HydrophobicContact CG-CE2 4.43Å; P139-Y504 HydrophobicContact CG-CG 3.92Å; W176-Y504 HydrophobicContact CE3-CD2 4.48Å; W176-Y504 AromaticContact CE3-CE2 3.83Å; W176-Y504 HydrophobicContact CE3-CE2 3.83Å; W176-Y504 AromaticContact CZ3-CD2 3.81Å; W176-Y504 HydrophobicContact CZ3-CD2 3.81Å; W176-Y504 AromaticContact CZ3-CE2 3.56Å; W176-Y504 HydrophobicContact CZ3-CE2 3.56Å; E178-Y504 VanDerWaalsContact CD-OH 3.24Å; E178-Y504 WeakPolarHBondContact CG-OH 3.37Å; E178-Y504 PolarHBondContact OE1-OH 2.82Å; V479-Y504 HydrophobicContact CG1-CG 4.5Å; V479-Y504 HydrophobicContact CG2-CD2 4.12Å; V479-Y504 HydrophobicContact CG2-CG 4.4Å; F488-Y504 HydrophobicContact CE2-CD1 4.32Å; V502-Y504 PolarHBondContact O-N 2.86Å | ||
| 505 | E | 93.1 | Very high | 90 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | trans | -117.5 | 121.1 | 169.3 | -173.6 | 169.5 | -177.7 | 0 | 0 | 108.3 | V490 R491 F507 A521 | V490-E505 HydrophobicContact CB-CB 4.16Å; V490-E505 HydrophobicContact CG1-CB 3.77Å; R491-E505 VanDerWaalsContact CB-OE2 3.23Å; R491-E505 WeakPolarHBondContact CB-OE2 3.26Å; R491-E505 IonicContact CZ-OE1 2.68Å; R491-E505 PolarHBondContact N-OE2 2.93Å; R491-E505 IonicContact NE-OE1 3.69Å; R491-E505 IonicContact NH2-OE1 3.96Å; R491-E505 PolarHBondContact NH2-OE1 3.01Å; E505-F507 HydrophobicContact CB-CZ 4.22Å; E505-F507 HydrophobicContact CG-CE1 4.2Å; E505-F507 HydrophobicContact CG-CZ 4.31Å; E505-F507 PolarHBondContact O-N 3.41Å; E505-A521 WeakPolarHBondContact OE1-CB 3.29Å | ||
| 506 | P | 94.9 | Very high | 89.8 | Confident | 30 Ų | 30 | 36 Ų | 36 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 123.1 | 174.6 | 27.7 | -32.6 | 0 | 0 | 0 | 110.2 | W176 | W176-P506 HydrophobicContact CH2-CB 3.63Å; W176-P506 HydrophobicContact CZ2-CB 4.35Å; W176-P506 HydrophobicContact CZ3-CB 4.3Å |
| 507 | F | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.6 | 170 | -58.9 | -70.5 | 0 | 0 | 0 | 109.9 | S477 I478 F480 L489 L497 E505 F519 F520 A521 W531 L541 | S477-F507 CarbonylContact C-O 3.38Å; S477-F507 WeakPolarHBondContact CA-O 3.25Å; S477-F507 WeakPolarHBondContact CB-O 3.35Å; I478-F507 HydrophobicContact CG2-CB 4.31Å; I478-F507 PolarHBondContact N-O 3.32Å; I478-F507 PolarHBondContact O-N 2.79Å; F480-F507 AromaticContact CD2-CD2 3.88Å; F480-F507 HydrophobicContact CD2-CD2 3.88Å; F480-F507 HydrophobicContact CD2-CE2 4.3Å; F480-F507 HydrophobicContact CE2-CD2 4.1Å; L489-F507 HydrophobicContact CB-CE2 4.3Å; L489-F507 HydrophobicContact CD2-CE2 4.48Å; L489-F507 HydrophobicContact CG-CE2 4.24Å; L489-F507 VanDerWaalsContact O-CE2 3.3Å; L489-F507 WeakPolarHBondContact O-CE2 3.45Å; L497-F507 HydrophobicContact CD2-CZ 4.3Å; E505-F507 HydrophobicContact CB-CZ 4.22Å; E505-F507 HydrophobicContact CG-CE1 4.2Å; E505-F507 HydrophobicContact CG-CZ 4.31Å; E505-F507 PolarHBondContact O-N 3.41Å; F507-F519 HydrophobicContact CB-CB 4.22Å; F507-F519 HydrophobicContact CB-CD1 4.5Å; F507-F520 CarbonylContact C-O 3.56Å; F507-F520 VanDerWaalsContact CA-O 3.31Å; F507-F520 WeakPolarHBondContact CA-O 3.47Å; F507-A521 HydrophobicContact CD1-CB 4.03Å; F507-A521 HydrophobicContact CE1-CB 4.02Å; F507-W531 AromaticContact CD1-CD1 3.98Å; F507-W531 HydrophobicContact CD1-CZ2 4.4Å; F507-W531 AromaticContact CD1-NE1 3.13Å; F507-W531 AromaticContact CD2-CZ2 3.73Å; F507-W531 HydrophobicContact CD2-CZ2 3.73Å; F507-W531 HydrophobicContact CE1-CZ2 4.41Å; F507-W531 AromaticContact CE1-NE1 3.15Å; F507-W531 AromaticContact CE2-CZ2 3.73Å; F507-W531 HydrophobicContact CE2-CZ2 3.73Å; F507-W531 HydrophobicContact CG-CZ2 4.06Å; F507-W531 AromaticContact CG-NE1 3.61Å; F507-W531 HydrophobicContact CZ-CZ2 4.09Å; F507-W531 AromaticContact CZ-NE1 3.63Å; F507-L541 HydrophobicContact CE1-CD2 4.42Å |
| 508 | Y | 96.5 | Very high | 89.6 | Confident | 47 Ų | 47 | 33.4 Ų | 33.4 | 18% | 0.184 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.1 | 174.4 | -61.8 | -96.6 | 0 | 0 | 0 | 109.6 | T476 F519 F520 R522 Y528 P548 | T476-Y508 WeakPolarHBondContact O-CA 3.32Å; Y508-F519 WeakPolarHBondContact O-CA 3.15Å; Y508-F520 PolarHBondContact N-O 3.22Å; Y508-F520 PolarHBondContact O-N 3.14Å; Y508-R522 HydrophobicContact CD2-CB 4.47Å; Y508-R522 HydrophobicContact CE2-CB 3.77Å; Y508-Y528 HydrophobicContact CD2-CE1 4.01Å; Y508-Y528 HydrophobicContact CE2-CE1 4.23Å; Y508-P548 VanDerWaalsContact CB-CG 3.43Å; Y508-P548 HydrophobicContact CG-CG 3.97Å |
| 509 | I | 95.1 | Very high | 89.8 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.7 | -173.3 | -52.5 | 172.4 | 0 | 0 | 0 | 109 | R475 T476 I478 Y517 F519 | R475-I509 HydrophobicContact CB-CD1 3.57Å; R475-I509 HydrophobicContact CG-CD1 4.43Å; T476-I509 PolarHBondContact O-N 3.13Å; T476-I509 VanDerWaalsContact O-N 3.11Å; I478-I509 HydrophobicContact CB-CD1 3.56Å; I478-I509 HydrophobicContact CB-CG1 4.13Å; I478-I509 HydrophobicContact CD1-CD1 4.08Å; I478-I509 HydrophobicContact CG1-CD1 4.45Å; I478-I509 HydrophobicContact CG2-CD1 3.61Å; I478-I509 HydrophobicContact CG2-CG1 3.7Å; I509-Y517 HydrophobicContact CG2-CD1 3.49Å; I509-Y517 VanDerWaalsContact CG2-CD1 3.49Å; I509-Y517 HydrophobicContact CG2-CE1 4.27Å; I509-Y517 HydrophobicContact CG2-CG 4.28Å; I509-F519 HydrophobicContact CD1-CE1 4.43Å; I509-F519 HydrophobicContact CG1-CD1 4.05Å; I509-F519 HydrophobicContact CG1-CE1 3.94Å; I509-F519 HydrophobicContact CG2-CE1 4.23Å |
| 510 | R | 92.9 | Very high | 90 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.3 | 163.4 | -167 | 169.7 | 75.4 | -158.7 | 7.2 | 109.3 | Y517 K518 F520 T547 P548 E552 E555 | R510-Y517 WeakPolarHBondContact O-CA 3.27Å; R510-K518 HydrophobicContact CB-CB 4.41Å; R510-K518 PolarHBondContact N-O 3.03Å; R510-K518 VanDerWaalsContact NH2-CD 3.33Å; R510-K518 PolarHBondContact O-N 3.36Å; R510-F520 HydrophobicContact CB-CE2 3.78Å; R510-T547 PolarHBondContact NH1-O 2.81Å; R510-P548 WeakPolarHBondContact CD-O 3.31Å; R510-P548 WeakPolarHBondContact CG-O 3.41Å; R510-E552 IonicContact NE-OE1 3.09Å; R510-E555 IonicContact CZ-OE1 3.77Å; R510-E555 IonicContact NH2-OE1 2.74Å; R510-E555 PolarHBondContact NH2-OE1 3.43Å |
| 511 | V | 90.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 32% | 0.321 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.4 | 173 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | I471 T516 Y517 | I471-V511 HydrophobicContact CD1-CG1 4.24Å; I471-V511 HydrophobicContact CG2-CB 4.33Å; I471-V511 HydrophobicContact CG2-CG1 3.64Å; I471-V511 HydrophobicContact CG2-CG2 3.73Å; V511-T516 CarbonylContact C-O 3.48Å; V511-T516 WeakPolarHBondContact CA-O 3.33Å; V511-Y517 HydrophobicContact CG2-CD1 4.09Å; V511-Y517 HydrophobicContact CG2-CE1 3.92Å |
| 512 | T | 89.1 | Confident | 91.4 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | trans | -91.9 | 166.6 | 179.8 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | R514 H515 T516 K518 E552 E565 | T512-R514 PolarHBondContact O-N 3.2Å; T512-R514 VanDerWaalsContact O-N 3.09Å; T512-R514 WeakPolarHBondContact OG1-CB 3.37Å; T512-R514 PolarHBondContact OG1-N 2.81Å; T512-R514 VanDerWaalsContact OG1-N 3.13Å; T512-H515 WeakPolarHBondContact O-CA 3.17Å; T512-H515 PolarHBondContact O-N 3.16Å; T512-H515 PolarHBondContact OG1-N 2.93Å; T512-T516 WeakPolarHBondContact CG2-OG1 3.33Å; T512-T516 PolarHBondContact N-O 2.95Å; T512-T516 PolarHBondContact OG1-N 3.15Å; T512-T516 VanDerWaalsContact OG1-N 3.17Å; T512-T516 PolarHBondContact OG1-OG1 2.82Å; T512-K518 HydrophobicContact CG2-CD 4.23Å; T512-K518 HydrophobicContact CG2-CG 4.06Å; T512-E552 VanDerWaalsContact C-OE2 3.22Å; T512-E552 WeakPolarHBondContact CA-OE1 3.28Å; T512-E552 WeakPolarHBondContact CA-OE2 2.97Å; T512-E565 HydrophobicContact CG2-CG 4.22Å | ||
| 513 | K | 84.2 | Confident | 92.4 | Very high | 130 Ų | 130 | 33.9 Ų | 33.9 | 57% | 0.565 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.1 | 167.7 | -62.1 | -169.8 | 171.9 | 160.3 | 0 | 113 | H515 E552 N553 | K513-H515 VanDerWaalsContact C-N 3.26Å; K513-E552 HydrophobicContact CG-CB 4.39Å; K513-E552 WeakPolarHBondContact CG-OE2 3.35Å; K513-E552 PolarHBondContact N-OE2 3.4Å; K513-E552 PolarHBondContact NZ-O 3.42Å; K513-N553 PolarHBondContact NZ-OD1 3.02Å |
| 514 | R | 84.6 | Confident | 92.8 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 22% | 0.219 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 1.1 | 173.6 | -74.8 | -162.5 | -90.7 | -97.8 | -4 | 112.5 | I427 T512 T516 N560 E565 | I427-R514 HydrophobicContact CD1-CB 3.49Å; I427-R514 VanDerWaalsContact CD1-CB 3.49Å; I427-R514 HydrophobicContact CD1-CG 3.75Å; I427-R514 WeakPolarHBondContact CD1-O 3.13Å; I427-R514 HydrophobicContact CG1-CB 3.72Å; I427-R514 HydrophobicContact CG1-CG 4.24Å; I427-R514 WeakPolarHBondContact CG1-O 3.36Å; I427-R514 WeakPolarHBondContact CG2-O 3.29Å; T512-R514 PolarHBondContact O-N 3.2Å; T512-R514 VanDerWaalsContact O-N 3.09Å; T512-R514 WeakPolarHBondContact OG1-CB 3.37Å; T512-R514 PolarHBondContact OG1-N 2.81Å; T512-R514 VanDerWaalsContact OG1-N 3.13Å; R514-T516 HydrophobicContact CB-CG2 4.03Å; R514-T516 PolarHBondContact O-N 2.67Å; R514-N560 PolarHBondContact NH1-OD1 2.87Å; R514-N560 PolarHBondContact NH2-OD1 3.45Å; R514-E565 IonicContact CZ-OE1 3.87Å; R514-E565 IonicContact CZ-OE2 3.55Å; R514-E565 IonicContact NE-OE1 2.69Å; R514-E565 PolarHBondContact NE-OE1 3.08Å; R514-E565 IonicContact NE-OE2 3.05Å; R514-E565 PolarHBondContact NE-OE2 3.33Å; R514-E565 IonicContact NH2-OE1 3.88Å; R514-E565 PolarHBondContact NH2-OE1 3.12Å; R514-E565 IonicContact NH2-OE2 3.56Å |
| 515 | H | 87.8 | Confident | 93 | Very high | 36 Ų | 36 | 39 Ų | 39 | 17% | 0.167 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 59.8 | 30.6 | -173.9 | -43 | 120.6 | 0 | 0 | 0 | 112.5 | N469 I471 T512 K513 | N469-H515 HydrophobicContact CB-CB 4.1Å; N469-H515 PolarHBondContact ND2-ND1 2.98Å; N469-H515 VanDerWaalsContact ND2-ND1 3.16Å; I471-H515 HydrophobicContact CD1-CB 3.65Å; I471-H515 WeakPolarHBondContact CD1-CD2 3.28Å; I471-H515 HydrophobicContact CG1-CB 3.88Å; T512-H515 WeakPolarHBondContact O-CA 3.17Å; T512-H515 PolarHBondContact O-N 3.16Å; T512-H515 PolarHBondContact OG1-N 2.93Å; K513-H515 VanDerWaalsContact C-N 3.26Å |
| 516 | T | 90.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -106.9 | -177.4 | 174.2 | 64.1 | 0 | 0 | 0 | 0 | 108.7 | I427 V511 T512 R514 E565 F566 L581 | I427-T516 HydrophobicContact CG1-CG2 4.17Å; I427-T516 HydrophobicContact CG2-CG2 4.21Å; V511-T516 CarbonylContact C-O 3.48Å; V511-T516 WeakPolarHBondContact CA-O 3.33Å; T512-T516 WeakPolarHBondContact CG2-OG1 3.33Å; T512-T516 PolarHBondContact N-O 2.95Å; T512-T516 PolarHBondContact OG1-N 3.15Å; T512-T516 VanDerWaalsContact OG1-N 3.17Å; T512-T516 PolarHBondContact OG1-OG1 2.82Å; R514-T516 HydrophobicContact CB-CG2 4.03Å; R514-T516 PolarHBondContact O-N 2.67Å; T516-E565 PolarHBondContact OG1-OE2 3.44Å; T516-F566 WeakPolarHBondContact CB-O 3.36Å; T516-L581 HydrophobicContact CG2-CD1 3.59Å | ||
| 517 | Y | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.6 | -175.7 | -53 | -80.7 | 0 | 0 | 0 | 111.9 | I471 L472 I509 R510 V511 F519 F566 L568 | I471-Y517 WeakPolarHBondContact CA-OH 3.46Å; L472-Y517 HydrophobicContact CB-CE1 4.25Å; L472-Y517 PolarHBondContact N-OH 3.1Å; I509-Y517 HydrophobicContact CG2-CD1 3.49Å; I509-Y517 VanDerWaalsContact CG2-CD1 3.49Å; I509-Y517 HydrophobicContact CG2-CE1 4.27Å; I509-Y517 HydrophobicContact CG2-CG 4.28Å; R510-Y517 WeakPolarHBondContact O-CA 3.27Å; V511-Y517 HydrophobicContact CG2-CD1 4.09Å; V511-Y517 HydrophobicContact CG2-CE1 3.92Å; Y517-F519 HydrophobicContact CG-CZ 4.26Å; Y517-F566 PolarHBondContact N-O 3.28Å; Y517-F566 PolarHBondContact O-N 3.14Å; Y517-L568 HydrophobicContact CD2-CD1 4.26Å; Y517-L568 HydrophobicContact CD2-CG 3.89Å; Y517-L568 HydrophobicContact CE2-CB 4.09Å; Y517-L568 HydrophobicContact CE2-CD1 4.07Å; Y517-L568 HydrophobicContact CE2-CG 3.85Å |
| 518 | K | 95.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.5 | 161.4 | -70.5 | 174.5 | 179.8 | 175.9 | 0 | 108.1 | R510 T512 F520 I530 E555 Y564 E565 | R510-K518 HydrophobicContact CB-CB 4.41Å; R510-K518 PolarHBondContact N-O 3.03Å; R510-K518 VanDerWaalsContact NH2-CD 3.33Å; R510-K518 PolarHBondContact O-N 3.36Å; T512-K518 HydrophobicContact CG2-CD 4.23Å; T512-K518 HydrophobicContact CG2-CG 4.06Å; K518-F520 HydrophobicContact CB-CD2 4.5Å; K518-F520 HydrophobicContact CB-CE2 3.66Å; K518-F520 HydrophobicContact CB-CZ 4.16Å; K518-I530 HydrophobicContact CB-CD1 4.14Å; K518-I530 HydrophobicContact CD-CD1 4.25Å; K518-I530 HydrophobicContact CG-CD1 4.29Å; K518-E555 IonicContact NZ-OE1 3.57Å; K518-E555 PolarHBondContact NZ-OE1 3.34Å; K518-E555 IonicContact NZ-OE2 3.23Å; K518-E555 PolarHBondContact NZ-OE2 3.21Å; K518-Y564 WeakPolarHBondContact CG-O 3.34Å; K518-E565 HydrophobicContact CG-CG 4.4Å |
| 519 | F | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.2 | -178.4 | -62.9 | -64.7 | 0 | 0 | 0 | 111 | I478 F480 F507 Y508 I509 Y517 I530 W531 F566 L568 | I478-F519 HydrophobicContact CG2-CD1 4.14Å; I478-F519 HydrophobicContact CG2-CE1 3.99Å; F480-F519 HydrophobicContact CE2-CD1 4.33Å; F480-F519 HydrophobicContact CE2-CE1 4.23Å; F480-F519 HydrophobicContact CE2-CZ 4.43Å; F480-F519 HydrophobicContact CZ-CD1 4.32Å; F480-F519 AromaticContact CZ-CE1 3.76Å; F480-F519 HydrophobicContact CZ-CE1 3.76Å; F480-F519 HydrophobicContact CZ-CE2 4.24Å; F480-F519 AromaticContact CZ-CZ 3.73Å; F480-F519 HydrophobicContact CZ-CZ 3.73Å; F507-F519 HydrophobicContact CB-CB 4.22Å; F507-F519 HydrophobicContact CB-CD1 4.5Å; Y508-F519 WeakPolarHBondContact O-CA 3.15Å; I509-F519 HydrophobicContact CD1-CE1 4.43Å; I509-F519 HydrophobicContact CG1-CD1 4.05Å; I509-F519 HydrophobicContact CG1-CE1 3.94Å; I509-F519 HydrophobicContact CG2-CE1 4.23Å; Y517-F519 HydrophobicContact CG-CZ 4.26Å; F519-I530 WeakPolarHBondContact O-CA 3.39Å; F519-W531 HydrophobicContact CB-CB 4.19Å; F519-W531 HydrophobicContact CB-CD2 3.72Å; F519-W531 HydrophobicContact CB-CE3 4.3Å; F519-W531 HydrophobicContact CB-CG 3.65Å; F519-W531 HydrophobicContact CB-CZ2 4.47Å; F519-W531 AromaticContact CD2-CD2 3.89Å; F519-W531 HydrophobicContact CD2-CD2 3.89Å; F519-W531 AromaticContact CD2-CE3 3.57Å; F519-W531 HydrophobicContact CD2-CE3 3.57Å; F519-W531 HydrophobicContact CD2-CG 4.48Å; F519-W531 HydrophobicContact CD2-CH2 4.22Å; F519-W531 AromaticContact CD2-CZ3 3.76Å; F519-W531 HydrophobicContact CD2-CZ3 3.76Å; F519-W531 HydrophobicContact CE2-CE3 4.32Å; F519-W531 HydrophobicContact CE2-CZ3 4.13Å; F519-W531 HydrophobicContact CG-CD2 4.17Å; F519-W531 HydrophobicContact CG-CE3 4.3Å; F519-W531 PolarHBondContact O-N 3.17Å; F519-F566 HydrophobicContact CD2-CB 4.13Å; F519-F566 AromaticContact CD2-CD2 3.9Å; F519-F566 HydrophobicContact CD2-CD2 3.9Å; F519-F566 HydrophobicContact CD2-CG 4.11Å; F519-F566 HydrophobicContact CE2-CB 3.63Å; F519-F566 HydrophobicContact CE2-CD2 4.28Å; F519-F566 HydrophobicContact CE2-CG 4.06Å; F519-L568 HydrophobicContact CZ-CD2 4.18Å; F519-L568 HydrophobicContact CZ-CG 4.48Å |
| 520 | F | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.3 | -176.1 | -62.1 | -100.6 | 0 | 0 | 0 | 111.2 | F507 Y508 R510 K518 Y528 S529 I530 T544 Q546 P548 | F507-F520 CarbonylContact C-O 3.56Å; F507-F520 VanDerWaalsContact CA-O 3.31Å; F507-F520 WeakPolarHBondContact CA-O 3.47Å; Y508-F520 PolarHBondContact N-O 3.22Å; Y508-F520 PolarHBondContact O-N 3.14Å; R510-F520 HydrophobicContact CB-CE2 3.78Å; K518-F520 HydrophobicContact CB-CD2 4.5Å; K518-F520 HydrophobicContact CB-CE2 3.66Å; K518-F520 HydrophobicContact CB-CZ 4.16Å; F520-Y528 HydrophobicContact CB-CD1 4.04Å; F520-S529 CarbonylContact C-O 2.91Å; F520-S529 VanDerWaalsContact CA-O 3.28Å; F520-S529 WeakPolarHBondContact CA-O 3.23Å; F520-I530 HydrophobicContact CD1-CB 4.24Å; F520-I530 HydrophobicContact CD1-CD1 4.44Å; F520-I530 HydrophobicContact CD1-CG1 4.3Å; F520-I530 HydrophobicContact CE1-CB 4.29Å; F520-I530 HydrophobicContact CE1-CD1 3.8Å; F520-I530 HydrophobicContact CE1-CG1 4.15Å; F520-I530 HydrophobicContact CE2-CD1 4.37Å; F520-I530 HydrophobicContact CZ-CD1 3.74Å; F520-I530 HydrophobicContact CZ-CG1 4.35Å; F520-T544 HydrophobicContact CD1-CG2 4.1Å; F520-T544 HydrophobicContact CE1-CG2 4.1Å; F520-Q546 HydrophobicContact CE1-CB 3.96Å; F520-Q546 HydrophobicContact CZ-CB 4.44Å; F520-P548 HydrophobicContact CB-CG 3.83Å; F520-P548 HydrophobicContact CD2-CB 4.19Å; F520-P548 HydrophobicContact CD2-CG 4.08Å; F520-P548 HydrophobicContact CG-CG 3.9Å |
| 521 | A | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | E505 F507 Y528 S529 L541 | E505-A521 WeakPolarHBondContact OE1-CB 3.29Å; F507-A521 HydrophobicContact CD1-CB 4.03Å; F507-A521 HydrophobicContact CE1-CB 4.02Å; A521-Y528 WeakPolarHBondContact O-CA 3.16Å; A521-S529 PolarHBondContact N-O 2.74Å; A521-S529 PolarHBondContact O-N 3.44Å; A521-L541 HydrophobicContact CB-CD1 3.74Å; A521-L541 HydrophobicContact CB-CD2 3.73Å; A521-L541 HydrophobicContact CB-CG 4.4Å |
| 522 | R | 95.7 | Very high | 93.4 | Very high | 123 Ų | 123 | 38.4 Ų | 38.4 | 46% | 0.464 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.4 | 174.3 | -173.7 | 172 | 178.1 | 174.7 | -0 | 110.2 | Y508 S526 Y528 | Y508-R522 HydrophobicContact CD2-CB 4.47Å; Y508-R522 HydrophobicContact CE2-CB 3.77Å; R522-S526 PolarHBondContact NH2-OG 2.81Å; R522-Y528 HydrophobicContact CB-CD1 4.16Å; R522-Y528 HydrophobicContact CB-CE1 3.84Å; R522-Y528 HydrophobicContact CG-CE1 4.11Å |
| 523 | N | 95 | Very high | 93.6 | Very high | 18 Ų | 18 | 38 Ų | 38 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -83 | 158.9 | 177.7 | -64.3 | -40.7 | 0 | 0 | 0 | 111.4 | R491 N525 S526 T527 Y528 S529 | R491-N523 PolarHBondContact NH1-OD1 2.72Å; R491-N523 PolarHBondContact NH2-OD1 3.39Å; N523-N525 WeakPolarHBondContact CB-OD1 3.12Å; N523-N525 PolarHBondContact O-N 3.45Å; N523-N525 VanDerWaalsContact O-N 3.16Å; N523-S526 WeakPolarHBondContact O-CA 3.44Å; N523-S526 PolarHBondContact O-N 3.01Å; N523-T527 WeakPolarHBondContact CB-O 3.49Å; N523-T527 PolarHBondContact N-O 3.08Å; N523-T527 PolarHBondContact ND2-OG1 2.81Å; N523-Y528 VanDerWaalsContact ND2-C 3.29Å; N523-Y528 PolarHBondContact ND2-O 3.18Å; N523-S529 PolarHBondContact ND2-OG 2.68Å; N523-S529 PolarHBondContact OD1-OG 2.78Å |
| 524 | P | 90.7 | Very high | 93.9 | Very high | 135 Ų | 135 | 32.8 Ų | 32.8 | 88% | 0.877 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.8 | 177.7 | -27.6 | 35.6 | 0 | 0 | 0 | 114.3 | S526 | P524-S526 PolarHBondContact O-N 3.15Š|
| 525 | N | 92.7 | Very high | 94 | Very high | 113 Ų | 113 | 35.1 Ų | 35.1 | 60% | 0.604 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 13 | 175.3 | 65.2 | -6.3 | 0 | 0 | 0 | 113.4 | N523 T527 | N523-N525 WeakPolarHBondContact CB-OD1 3.12Å; N523-N525 PolarHBondContact O-N 3.45Å; N523-N525 VanDerWaalsContact O-N 3.16Å; N525-T527 PolarHBondContact O-N 2.52Å; N525-T527 PolarHBondContact OD1-N 3.42Å; N525-T527 VanDerWaalsContact OD1-N 3.15Å; N525-T527 PolarHBondContact OD1-OG1 2.93Å |
| 526 | S | 90.2 | Very high | 94.1 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 44% | 0.441 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 63.3 | 9.4 | -175.7 | -62.5 | 0 | 0 | 0 | 0 | 116.6 | R522 N523 P524 | R522-S526 PolarHBondContact NH2-OG 2.81Å; N523-S526 WeakPolarHBondContact O-CA 3.44Å; N523-S526 PolarHBondContact O-N 3.01Å; P524-S526 PolarHBondContact O-N 3.15Å |
| 527 | T | 95.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 40% | 0.399 | 22% | 0.217 | S | C | . | . | trans | -78.7 | 175.2 | 165.3 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | N523 N525 | N523-T527 WeakPolarHBondContact CB-O 3.49Å; N523-T527 PolarHBondContact N-O 3.08Å; N523-T527 PolarHBondContact ND2-OG1 2.81Å; N525-T527 PolarHBondContact O-N 2.52Å; N525-T527 PolarHBondContact OD1-N 3.42Å; N525-T527 VanDerWaalsContact OD1-N 3.15Å; N525-T527 PolarHBondContact OD1-OG1 2.93Å | ||
| 528 | Y | 97 | Very high | 94.1 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.6 | 177.3 | -67.2 | -82.2 | 0 | 0 | 0 | 112.1 | Y508 F520 A521 R522 N523 T544 T547 P548 | Y508-Y528 HydrophobicContact CD2-CE1 4.01Å; Y508-Y528 HydrophobicContact CE2-CE1 4.23Å; F520-Y528 HydrophobicContact CB-CD1 4.04Å; A521-Y528 WeakPolarHBondContact O-CA 3.16Å; R522-Y528 HydrophobicContact CB-CD1 4.16Å; R522-Y528 HydrophobicContact CB-CE1 3.84Å; R522-Y528 HydrophobicContact CG-CE1 4.11Å; N523-Y528 VanDerWaalsContact ND2-C 3.29Å; N523-Y528 PolarHBondContact ND2-O 3.18Å; Y528-T544 PolarHBondContact O-N 2.72Å; Y528-T547 HydrophobicContact CD2-CG2 4.31Å; Y528-T547 HydrophobicContact CE2-CG2 4.33Å; Y528-P548 HydrophobicContact CD1-CG 4.13Å; Y528-P548 HydrophobicContact CE1-CG 3.78Å |
| 529 | S | 97 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.9 | 160.2 | -65.2 | 0 | 0 | 0 | 0 | 108.4 | F520 A521 N523 E542 | F520-S529 CarbonylContact C-O 2.91Å; F520-S529 VanDerWaalsContact CA-O 3.28Å; F520-S529 WeakPolarHBondContact CA-O 3.23Å; A521-S529 PolarHBondContact N-O 2.74Å; A521-S529 PolarHBondContact O-N 3.44Å; N523-S529 PolarHBondContact ND2-OG 2.68Å; N523-S529 PolarHBondContact OD1-OG 2.78Å; S529-E542 CarbonylContact C-O 3.5Å; S529-E542 WeakPolarHBondContact CA-O 3.31Å; S529-E542 WeakPolarHBondContact CB-O 3.07Å |
| 530 | I | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.5 | -178.4 | -168 | 170.5 | 0 | 0 | 0 | 110 | K518 F519 F520 A532 L541 E542 T544 Y564 | K518-I530 HydrophobicContact CB-CD1 4.14Å; K518-I530 HydrophobicContact CD-CD1 4.25Å; K518-I530 HydrophobicContact CG-CD1 4.29Å; F519-I530 WeakPolarHBondContact O-CA 3.39Å; F520-I530 HydrophobicContact CD1-CB 4.24Å; F520-I530 HydrophobicContact CD1-CD1 4.44Å; F520-I530 HydrophobicContact CD1-CG1 4.3Å; F520-I530 HydrophobicContact CE1-CB 4.29Å; F520-I530 HydrophobicContact CE1-CD1 3.8Å; F520-I530 HydrophobicContact CE1-CG1 4.15Å; F520-I530 HydrophobicContact CE2-CD1 4.37Å; F520-I530 HydrophobicContact CZ-CD1 3.74Å; F520-I530 HydrophobicContact CZ-CG1 4.35Å; I530-A532 PolarHBondContact O-N 2.96Å; I530-L541 WeakPolarHBondContact O-CA 3.46Å; I530-E542 PolarHBondContact N-O 2.79Å; I530-E542 PolarHBondContact O-N 2.83Å; I530-T544 HydrophobicContact CB-CG2 3.94Å; I530-T544 HydrophobicContact CG2-CG2 4.13Å; I530-Y564 HydrophobicContact CD1-CD1 4.24Å; I530-Y564 HydrophobicContact CD1-CG 4.18Å; I530-Y564 HydrophobicContact CG1-CD1 4.33Å; I530-Y564 HydrophobicContact CG2-CD1 3.66Å; I530-Y564 HydrophobicContact CG2-CE1 3.83Å |
| 531 | W | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 130.5 | 170.5 | -78.9 | 32.2 | 0 | 0 | 0 | 110.7 | F480 L489 L497 F507 F519 L539 L541 Y564 F566 I578 | F480-W531 AromaticContact CD2-CH2 3.69Å; F480-W531 HydrophobicContact CD2-CH2 3.69Å; F480-W531 AromaticContact CD2-CZ2 3.81Å; F480-W531 HydrophobicContact CD2-CZ2 3.81Å; F480-W531 AromaticContact CE2-CH2 3.5Å; F480-W531 HydrophobicContact CE2-CH2 3.5Å; F480-W531 AromaticContact CE2-CZ2 3.7Å; F480-W531 HydrophobicContact CE2-CZ2 3.7Å; F480-W531 HydrophobicContact CG-CH2 4.49Å; F480-W531 HydrophobicContact CZ-CH2 4.2Å; L489-W531 HydrophobicContact CD2-CH2 3.17Å; L489-W531 HydrophobicContact CD2-CZ2 3.3Å; L489-W531 HydrophobicContact CD2-CZ3 4.19Å; L489-W531 HydrophobicContact CG-CH2 4.47Å; L489-W531 HydrophobicContact CG-CZ2 4.22Å; L497-W531 HydrophobicContact CD1-CD2 3.85Å; L497-W531 HydrophobicContact CD1-CE3 4.39Å; L497-W531 HydrophobicContact CD1-CG 4.26Å; L497-W531 HydrophobicContact CD1-CH2 4.49Å; L497-W531 HydrophobicContact CD1-CZ2 3.93Å; F507-W531 AromaticContact CD1-CD1 3.98Å; F507-W531 HydrophobicContact CD1-CZ2 4.4Å; F507-W531 AromaticContact CD1-NE1 3.13Å; F507-W531 AromaticContact CD2-CZ2 3.73Å; F507-W531 HydrophobicContact CD2-CZ2 3.73Å; F507-W531 HydrophobicContact CE1-CZ2 4.41Å; F507-W531 AromaticContact CE1-NE1 3.15Å; F507-W531 AromaticContact CE2-CZ2 3.73Å; F507-W531 HydrophobicContact CE2-CZ2 3.73Å; F507-W531 HydrophobicContact CG-CZ2 4.06Å; F507-W531 AromaticContact CG-NE1 3.61Å; F507-W531 HydrophobicContact CZ-CZ2 4.09Å; F507-W531 AromaticContact CZ-NE1 3.63Å; F519-W531 HydrophobicContact CB-CB 4.19Å; F519-W531 HydrophobicContact CB-CD2 3.72Å; F519-W531 HydrophobicContact CB-CE3 4.3Å; F519-W531 HydrophobicContact CB-CG 3.65Å; F519-W531 HydrophobicContact CB-CZ2 4.47Å; F519-W531 AromaticContact CD2-CD2 3.89Å; F519-W531 HydrophobicContact CD2-CD2 3.89Å; F519-W531 AromaticContact CD2-CE3 3.57Å; F519-W531 HydrophobicContact CD2-CE3 3.57Å; F519-W531 HydrophobicContact CD2-CG 4.48Å; F519-W531 HydrophobicContact CD2-CH2 4.22Å; F519-W531 AromaticContact CD2-CZ3 3.76Å; F519-W531 HydrophobicContact CD2-CZ3 3.76Å; F519-W531 HydrophobicContact CE2-CE3 4.32Å; F519-W531 HydrophobicContact CE2-CZ3 4.13Å; F519-W531 HydrophobicContact CG-CD2 4.17Å; F519-W531 HydrophobicContact CG-CE3 4.3Å; F519-W531 PolarHBondContact O-N 3.17Å; W531-L539 HydrophobicContact CE3-CD1 4.23Å; W531-L539 HydrophobicContact CE3-CD2 4.17Å; W531-L539 HydrophobicContact CZ3-CD2 4.23Å; W531-L541 VanDerWaalsContact CD1-CD2 3.47Å; W531-L541 HydrophobicContact CG-CD2 4.48Å; W531-Y564 WeakPolarHBondContact O-CD1 3.28Å; W531-F566 HydrophobicContact CB-CD2 4.37Å; W531-F566 HydrophobicContact CB-CE2 3.5Å; W531-F566 VanDerWaalsContact CB-CE2 3.5Å; W531-F566 HydrophobicContact CB-CZ 3.87Å; W531-F566 HydrophobicContact CE3-CD1 4.24Å; W531-F566 HydrophobicContact CE3-CD2 4.25Å; W531-F566 HydrophobicContact CE3-CE1 4.01Å; W531-F566 HydrophobicContact CE3-CE2 4.04Å; W531-F566 HydrophobicContact CE3-CG 4.36Å; W531-F566 AromaticContact CE3-CZ 3.92Å; W531-F566 HydrophobicContact CE3-CZ 3.92Å; W531-F566 HydrophobicContact CG-CE2 4.47Å; W531-I578 HydrophobicContact CH2-CD1 4.25Å; W531-I578 HydrophobicContact CZ3-CD1 4.42Å; W531-I578 HydrophobicContact CZ3-CG2 4.23Å |
| 532 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 114.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I530 Q540 E542 K563 Y564 | I530-A532 PolarHBondContact O-N 2.96Å; A532-Q540 HydrophobicContact CB-CG 4.28Å; A532-Q540 PolarHBondContact N-O 3.36Å; A532-Q540 PolarHBondContact O-N 3.23Å; A532-Q540 VanDerWaalsContact O-N 3.09Å; A532-E542 HydrophobicContact CB-CB 4.17Å; A532-E542 HydrophobicContact CB-CG 3.63Å; A532-K563 HydrophobicContact CB-CG 4.4Å; A532-Y564 HydrophobicContact CB-CD1 4.04Å; A532-Y564 HydrophobicContact CB-CE1 3.79Å |
| 533 | A | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | L539 K563 F566 S580 N582 L602 | A533-L539 HydrophobicContact CB-CD1 4.43Å; A533-K563 WeakPolarHBondContact CB-O 3.47Å; A533-K563 PolarHBondContact N-O 3.06Å; A533-K563 WeakPolarHBondContact O-CG 3.45Å; A533-F566 HydrophobicContact CB-CE1 4.07Å; A533-F566 HydrophobicContact CB-CZ 3.89Å; A533-S580 WeakPolarHBondContact CB-OG 3.45Å; A533-N582 HydrophobicContact CB-CB 4.09Å; A533-N582 PolarHBondContact O-ND2 3.43Å; A533-L602 HydrophobicContact CB-CD1 3.43Å; A533-L602 VanDerWaalsContact CB-CD1 3.43Å |
| 534 | S | 90.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | trans | -79.7 | 157.8 | 178.7 | -70.2 | 0 | 0 | 0 | 0 | 112 | D536 T538 Q584 | S534-D536 WeakPolarHBondContact CB-OD1 3.41Å; S534-D536 PolarHBondContact O-N 2.81Å; S534-T538 PolarHBondContact N-O 2.96Å; S534-Q584 PolarHBondContact O-NE2 2.91Å | ||
| 535 | L | 86.7 | Confident | 93.9 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 56% | 0.555 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.5 | 179.7 | -71.2 | 173 | 0 | 0 | 0 | 114.2 | N583 Q584 | L535-N583 WeakPolarHBondContact CD2-O 3.21Å; L535-Q584 VanDerWaalsContact C-NE2 3.34Å; L535-Q584 WeakPolarHBondContact O-CB 3.42Å; L535-Q584 VanDerWaalsContact O-CG 3.28Å; L535-Q584 WeakPolarHBondContact O-CG 3.46Å; L535-Q584 PolarHBondContact O-OE1 2.79Å |
| 536 | D | 88.9 | Confident | 93.8 | Very high | 115 Ų | 115 | 44 Ų | 44 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -17.4 | -174.4 | 66.1 | -18.7 | 0 | 0 | 0 | 114.9 | S534 T538 | S534-D536 WeakPolarHBondContact CB-OD1 3.41Å; S534-D536 PolarHBondContact O-N 2.81Å; D536-T538 VanDerWaalsContact CG-OG1 3.3Å; D536-T538 VanDerWaalsContact OD1-CB 3.28Å; D536-T538 WeakPolarHBondContact OD1-CB 3.46Å; D536-T538 PolarHBondContact OD1-N 2.81Å; D536-T538 PolarHBondContact OD1-OG1 2.83Å; D536-T538 VanDerWaalsContact OD1-OG1 3.09Å; D536-T538 PolarHBondContact OD2-OG1 2.71Å |
| 537 | G | 90.2 | Very high | 93.9 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 133.6 | -18.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K601 L602 | G537-K601 WeakPolarHBondContact O-CA 3.3Å; G537-K601 WeakPolarHBondContact O-CB 3.48Å; G537-L602 PolarHBondContact O-N 3.25Å |
| 538 | T | 93.7 | Very high | 93.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 133.1 | -163.2 | -52.5 | 0 | 0 | 0 | 0 | 111 | I496 S534 D536 Q540 | I496-T538 HydrophobicContact CD1-CG2 4.28Å; I496-T538 HydrophobicContact CG1-CG2 4.08Å; I496-T538 HydrophobicContact CG2-CG2 4.34Å; S534-T538 PolarHBondContact N-O 2.96Å; D536-T538 VanDerWaalsContact CG-OG1 3.3Å; D536-T538 VanDerWaalsContact OD1-CB 3.28Å; D536-T538 WeakPolarHBondContact OD1-CB 3.46Å; D536-T538 PolarHBondContact OD1-N 2.81Å; D536-T538 PolarHBondContact OD1-OG1 2.83Å; D536-T538 VanDerWaalsContact OD1-OG1 3.09Å; D536-T538 PolarHBondContact OD2-OG1 2.71Å; T538-Q540 HydrophobicContact CG2-CB 4.34Å |
| 539 | L | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.6 | 168.1 | -176.4 | 64.3 | 0 | 0 | 0 | 108.6 | L497 W531 A533 F566 V592 V600 L602 | L497-L539 HydrophobicContact CD1-CD2 3.74Å; L497-L539 HydrophobicContact CD1-CG 3.74Å; L497-L539 HydrophobicContact CG-CG 4.34Å; L497-L539 PolarHBondContact N-O 2.79Å; W531-L539 HydrophobicContact CE3-CD1 4.23Å; W531-L539 HydrophobicContact CE3-CD2 4.17Å; W531-L539 HydrophobicContact CZ3-CD2 4.23Å; A533-L539 HydrophobicContact CB-CD1 4.43Å; L539-F566 HydrophobicContact CD1-CE1 3.7Å; L539-F566 HydrophobicContact CD1-CZ 3.55Å; L539-V592 HydrophobicContact CD2-CB 4.45Å; L539-V592 HydrophobicContact CD2-CG1 3.66Å; L539-V592 HydrophobicContact CD2-CG2 3.89Å; L539-V600 HydrophobicContact CD2-CG1 4.2Å; L539-L602 HydrophobicContact CB-CG 4.48Å |
| 540 | Q | 96.5 | Very high | 92.9 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 168 | -173.2 | 66.2 | -177.4 | 3.3 | 0 | 0 | 112.5 | N495 I496 A532 T538 E542 | N495-Q540 CarbonylContact O-C 3.32Å; N495-Q540 VanDerWaalsContact O-CA 3.28Å; N495-Q540 WeakPolarHBondContact O-CA 3.4Å; N495-Q540 WeakPolarHBondContact O-CB 3.1Å; I496-Q540 HydrophobicContact CG1-CB 4.48Å; A532-Q540 HydrophobicContact CB-CG 4.28Å; A532-Q540 PolarHBondContact N-O 3.36Å; A532-Q540 PolarHBondContact O-N 3.23Å; A532-Q540 VanDerWaalsContact O-N 3.09Å; T538-Q540 HydrophobicContact CG2-CB 4.34Å; Q540-E542 HydrophobicContact CG-CG 4.21Å; Q540-E542 PolarHBondContact NE2-OE1 3.4Å |
| 541 | L | 97.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.1 | 170.3 | -72.2 | 170.4 | 0 | 0 | 0 | 110.5 | R491 N495 L497 F507 A521 I530 W531 | R491-L541 HydrophobicContact CB-CD1 3.68Å; R491-L541 HydrophobicContact CG-CD1 3.84Å; R491-L541 VanDerWaalsContact NE-CD1 3.35Å; N495-L541 HydrophobicContact CB-CB 4.16Å; N495-L541 VanDerWaalsContact CB-O 3.29Å; N495-L541 WeakPolarHBondContact CB-O 3.23Å; N495-L541 PolarHBondContact O-N 3.43Å; L497-L541 HydrophobicContact CD2-CD1 3.85Å; L497-L541 HydrophobicContact CD2-CD2 4.45Å; L497-L541 HydrophobicContact CD2-CG 3.74Å; F507-L541 HydrophobicContact CE1-CD2 4.42Å; A521-L541 HydrophobicContact CB-CD1 3.74Å; A521-L541 HydrophobicContact CB-CD2 3.73Å; A521-L541 HydrophobicContact CB-CG 4.4Å; I530-L541 WeakPolarHBondContact O-CA 3.46Å; W531-L541 VanDerWaalsContact CD1-CD2 3.47Å; W531-L541 HydrophobicContact CG-CD2 4.48Å |
| 542 | E | 96.1 | Very high | 90.2 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.3 | 175.2 | -70.3 | -178.7 | -178.1 | 0 | 0 | 110.2 | S529 I530 A532 Q540 T544 K563 Y564 | S529-E542 CarbonylContact C-O 3.5Å; S529-E542 WeakPolarHBondContact CA-O 3.31Å; S529-E542 WeakPolarHBondContact CB-O 3.07Å; I530-E542 PolarHBondContact N-O 2.79Å; I530-E542 PolarHBondContact O-N 2.83Å; A532-E542 HydrophobicContact CB-CB 4.17Å; A532-E542 HydrophobicContact CB-CG 3.63Å; Q540-E542 HydrophobicContact CG-CG 4.21Å; Q540-E542 PolarHBondContact NE2-OE1 3.4Å; E542-T544 PolarHBondContact O-N 2.83Å; E542-K563 WeakPolarHBondContact OE1-CE 3.34Å; E542-K563 IonicContact OE1-NZ 3.68Å; E542-K563 PolarHBondContact OE1-NZ 3.04Å; E542-K563 IonicContact OE2-NZ 3.96Å; E542-K563 PolarHBondContact OE2-NZ 2.99Å; E542-Y564 PolarHBondContact OE2-OH 2.92Å |
| 543 | P | 95.2 | Very high | 88.6 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 69% | 0.688 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 138 | 172.6 | -23.6 | 33.7 | 0 | 0 | 0 | 111.3 | ||
| 544 | T | 93.6 | Very high | 86.9 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.3 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | F520 Y528 I530 E542 Q546 | F520-T544 HydrophobicContact CD1-CG2 4.1Å; F520-T544 HydrophobicContact CE1-CG2 4.1Å; Y528-T544 PolarHBondContact O-N 2.72Å; I530-T544 HydrophobicContact CB-CG2 3.94Å; I530-T544 HydrophobicContact CG2-CG2 4.13Å; E542-T544 PolarHBondContact O-N 2.83Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 HydrophobicContact CG2-CB 4.45Å; T544-Q546 WeakPolarHBondContact OG1-CB 3.43Å; T544-Q546 PolarHBondContact OG1-N 3.23Å; T544-Q546 VanDerWaalsContact OG1-N 3.08Å |
| 545 | H | 91.6 | Very high | 85.1 | Confident | 199 Ų | 199 | 67.5 Ų | 67.5 | 92% | 0.921 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -83.9 | -13.9 | 168.6 | -65.6 | -67.2 | 0 | 0 | 0 | 112.4 | ||
| 546 | Q | 91.1 | Very high | 83.1 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | trans | -74.8 | 148 | 179.8 | -62.4 | 177.3 | 36.3 | 0 | 0 | 111.2 | F520 T544 D550 | F520-Q546 HydrophobicContact CE1-CB 3.96Å; F520-Q546 HydrophobicContact CZ-CB 4.44Å; T544-Q546 VanDerWaalsContact C-N 3.33Å; T544-Q546 HydrophobicContact CG2-CB 4.45Å; T544-Q546 WeakPolarHBondContact OG1-CB 3.43Å; T544-Q546 PolarHBondContact OG1-N 3.23Å; T544-Q546 VanDerWaalsContact OG1-N 3.08Å; Q546-D550 VanDerWaalsContact CA-OD2 3.23Å; Q546-D550 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 547 | T | 92 | Very high | 81 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 22% | 0.221 | 38% | 0.38 | C | S | . | . | trans | -110.3 | 157.5 | 172.7 | 85.4 | 0 | 0 | 0 | 0 | 111.4 | R510 Y528 T549 D550 | R510-T547 PolarHBondContact NH1-O 2.81Å; Y528-T547 HydrophobicContact CD2-CG2 4.31Å; Y528-T547 HydrophobicContact CE2-CG2 4.33Å; T547-T549 PolarHBondContact O-N 3.35Å; T547-T549 VanDerWaalsContact O-N 3.1Å; T547-T549 PolarHBondContact OG1-N 2.73Å; T547-T549 PolarHBondContact OG1-OG1 2.72Å; T547-T549 VanDerWaalsContact OG1-OG1 3.09Å; T547-D550 WeakPolarHBondContact CB-OD1 3.5Å; T547-D550 PolarHBondContact N-OD2 3.09Å; T547-D550 PolarHBondContact O-N 3.47Å; T547-D550 VanDerWaalsContact OG1-CG 3.26Å; T547-D550 PolarHBondContact OG1-N 3.11Å; T547-D550 PolarHBondContact OG1-OD1 2.97Å | ||
| 548 | P | 91.5 | Very high | 78.7 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 10% | 0.104 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.9 | 175.3 | -21.5 | 32.3 | 0 | 0 | 0 | 114 | Y508 R510 F520 Y528 | Y508-P548 VanDerWaalsContact CB-CG 3.43Å; Y508-P548 HydrophobicContact CG-CG 3.97Å; R510-P548 WeakPolarHBondContact CD-O 3.31Å; R510-P548 WeakPolarHBondContact CG-O 3.41Å; F520-P548 HydrophobicContact CB-CG 3.83Å; F520-P548 HydrophobicContact CD2-CB 4.19Å; F520-P548 HydrophobicContact CD2-CG 4.08Å; F520-P548 HydrophobicContact CG-CG 3.9Å; Y528-P548 HydrophobicContact CD1-CG 4.13Å; Y528-P548 HydrophobicContact CE1-CG 3.78Å |
| 549 | T | 90.1 | Very high | 76.6 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 0.2 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | T547 D551 | T547-T549 PolarHBondContact O-N 3.35Å; T547-T549 VanDerWaalsContact O-N 3.1Å; T547-T549 PolarHBondContact OG1-N 2.73Å; T547-T549 PolarHBondContact OG1-OG1 2.72Å; T547-T549 VanDerWaalsContact OG1-OG1 3.09Å; T549-D551 PolarHBondContact O-N 2.93Å |
| 550 | D | 86.9 | Confident | 74.7 | Confident | 67 Ų | 67 | 83 Ų | 83 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | trans | -60.8 | 136.6 | 177.6 | -68.7 | -10.5 | 0 | 0 | 0 | 110.4 | Q546 T547 E552 | Q546-D550 VanDerWaalsContact CA-OD2 3.23Å; Q546-D550 WeakPolarHBondContact CA-OD2 3.42Å; T547-D550 WeakPolarHBondContact CB-OD1 3.5Å; T547-D550 PolarHBondContact N-OD2 3.09Å; T547-D550 PolarHBondContact O-N 3.47Å; T547-D550 VanDerWaalsContact OG1-CG 3.26Å; T547-D550 PolarHBondContact OG1-N 3.11Å; T547-D550 PolarHBondContact OG1-OD1 2.97Å; D550-E552 PolarHBondContact O-N 2.88Å | ||
| 551 | D | 72.5 | Confident | 73.8 | Confident | 106 Ų | 106 | 83.8 Ų | 83.8 | 57% | 0.567 | 45% | 0.453 | S | S | * | . | trans | -75.7 | 123.8 | -177.6 | -152.9 | -8.2 | 0 | 0 | 0 | 110.3 | T549 N553 N554 | T549-D551 PolarHBondContact O-N 2.93Å; D551-N553 PolarHBondContact O-N 3.38Å; D551-N554 PolarHBondContact O-N 2.97Å | ||
| 552 | E | 65.2 | Low | 73.3 | Confident | 27 Ų | 27 | 85 Ų | 85 | 13% | 0.126 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -68.3 | -6.7 | -173.4 | -63.9 | -150.8 | 133.8 | 0 | 0 | 114 | R510 T512 K513 D550 N554 | R510-E552 IonicContact NE-OE1 3.09Å; T512-E552 VanDerWaalsContact C-OE2 3.22Å; T512-E552 WeakPolarHBondContact CA-OE1 3.28Å; T512-E552 WeakPolarHBondContact CA-OE2 2.97Å; K513-E552 HydrophobicContact CG-CB 4.39Å; K513-E552 WeakPolarHBondContact CG-OE2 3.35Å; K513-E552 PolarHBondContact N-OE2 3.4Å; K513-E552 PolarHBondContact NZ-O 3.42Å; D550-E552 PolarHBondContact O-N 2.88Å; E552-N554 VanDerWaalsContact C-N 3.27Å |
| 553 | N | 62.2 | Low | 73.1 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -74.7 | -19.4 | 172.7 | -67.4 | -34 | 0 | 0 | 0 | 113 | K513 D551 | K513-N553 PolarHBondContact NZ-OD1 3.02Å; D551-N553 PolarHBondContact O-N 3.38Å |
| 554 | N | 56.4 | Low | 73 | Confident | 137 Ų | 137 | 81.9 Ų | 81.9 | 73% | 0.733 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -95.5 | 4.3 | 176.6 | -69.4 | -26.2 | 0 | 0 | 0 | 113.1 | D551 E552 D556 | D551-N554 PolarHBondContact O-N 2.97Å; E552-N554 VanDerWaalsContact C-N 3.27Å; N554-D556 PolarHBondContact O-N 2.84Å |
| 555 | E | 53.9 | Low | 73 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 27% | 0.271 | 43% | 0.426 | S | S | . | . | trans | -69.7 | 100.6 | 171.9 | -76.5 | -164.2 | 174.2 | 0 | 0 | 109.1 | R510 K518 T557 | R510-E555 IonicContact CZ-OE1 3.77Å; R510-E555 IonicContact NH2-OE1 2.74Å; R510-E555 PolarHBondContact NH2-OE1 3.43Å; K518-E555 IonicContact NZ-OE1 3.57Å; K518-E555 PolarHBondContact NZ-OE1 3.34Å; K518-E555 IonicContact NZ-OE2 3.23Å; K518-E555 PolarHBondContact NZ-OE2 3.21Å; E555-T557 PolarHBondContact O-N 3.15Å | ||
| 556 | D | 44.8 | Very low | 73.1 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | trans | -48.6 | 127.5 | 163.1 | -80.3 | -36.5 | 0 | 0 | 0 | 108.1 | N554 I558 N559 | N554-D556 PolarHBondContact O-N 2.84Å; D556-I558 PolarHBondContact O-N 3.05Å; D556-N559 PolarHBondContact O-N 3.27Å | ||
| 557 | T | 44.2 | Very low | 73.1 | Confident | 130 Ų | 130 | 70.2 Ų | 70.2 | 80% | 0.798 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 1.1 | -174.2 | -19.4 | 0 | 0 | 0 | 0 | 115 | E555 | E555-T557 PolarHBondContact O-N 3.15Š|
| 558 | I | 42.9 | Very low | 73.1 | Confident | 155 Ų | 155 | 68.9 Ų | 68.9 | 80% | 0.795 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.3 | -174.9 | -60.3 | 175.6 | 0 | 0 | 0 | 112.2 | D556 | D556-I558 PolarHBondContact O-N 3.05Š|
| 559 | N | 48 | Very low | 73.2 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | trans | -114.4 | 33.7 | -175.6 | -101.9 | -12.9 | 0 | 0 | 0 | 115.2 | D556 D561 | D556-N559 PolarHBondContact O-N 3.27Å; N559-D561 PolarHBondContact O-N 2.78Å | ||
| 560 | N | 57.3 | Low | 73.3 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | trans | -75.7 | 42.7 | 172.2 | -118.9 | -6.2 | 0 | 0 | 0 | 112 | R514 L562 | R514-N560 PolarHBondContact NH1-OD1 2.87Å; R514-N560 PolarHBondContact NH2-OD1 3.45Å; N560-L562 PolarHBondContact O-N 3.27Å | ||
| 561 | D | 77.6 | Confident | 73.5 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | trans | -81.7 | 106.5 | -176.7 | -166.6 | 0.8 | 0 | 0 | 0 | 109.5 | N559 K563 Y564 | N559-D561 PolarHBondContact O-N 2.78Å; D561-K563 HydrophobicContact CB-CB 4.23Å; D561-K563 PolarHBondContact O-N 3.08Å; D561-K563 WeakPolarHBondContact OD1-CB 3.07Å; D561-K563 PolarHBondContact OD1-N 2.77Å; D561-K563 WeakPolarHBondContact OD2-CB 3.43Å; D561-K563 WeakPolarHBondContact OD2-CD 3.17Å; D561-Y564 HydrophobicContact CB-CD2 3.97Å; D561-Y564 HydrophobicContact CB-CE2 3.85Å; D561-Y564 PolarHBondContact O-N 2.91Å | ||
| 562 | L | 86.7 | Confident | 74.3 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -53 | -16.6 | 176 | -66.2 | 173.6 | 0 | 0 | 0 | 112.5 | K425 N560 Y564 E565 L581 N582 | K425-L562 HydrophobicContact CD-CD1 4.03Å; N560-L562 PolarHBondContact O-N 3.27Å; L562-Y564 PolarHBondContact O-N 3.11Å; L562-Y564 VanDerWaalsContact O-N 3.16Å; L562-E565 PolarHBondContact O-N 2.87Å; L562-E565 VanDerWaalsContact O-N 3.16Å; L562-L581 HydrophobicContact CB-CB 4.25Å; L562-L581 HydrophobicContact CD2-CB 4.09Å; L562-L581 HydrophobicContact CD2-CD1 4.25Å; L562-N582 PolarHBondContact O-N 3.28Å |
| 563 | K | 91.5 | Very high | 75.3 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -44.2 | -35.3 | 167 | -169.8 | -177.1 | -172.5 | -156.8 | 0 | 114.8 | A532 A533 E542 D561 | A532-K563 HydrophobicContact CB-CG 4.4Å; A533-K563 WeakPolarHBondContact CB-O 3.47Å; A533-K563 PolarHBondContact N-O 3.06Å; A533-K563 WeakPolarHBondContact O-CG 3.45Å; E542-K563 WeakPolarHBondContact OE1-CE 3.34Å; E542-K563 IonicContact OE1-NZ 3.68Å; E542-K563 PolarHBondContact OE1-NZ 3.04Å; E542-K563 IonicContact OE2-NZ 3.96Å; E542-K563 PolarHBondContact OE2-NZ 2.99Å; D561-K563 HydrophobicContact CB-CB 4.23Å; D561-K563 PolarHBondContact O-N 3.08Å; D561-K563 WeakPolarHBondContact OD1-CB 3.07Å; D561-K563 PolarHBondContact OD1-N 2.77Å; D561-K563 WeakPolarHBondContact OD2-CB 3.43Å; D561-K563 WeakPolarHBondContact OD2-CD 3.17Å |
| 564 | Y | 93.8 | Very high | 76.6 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -102.8 | 0.6 | -174.4 | -50.7 | -70 | 0 | 0 | 0 | 113.6 | K518 I530 W531 A532 E542 D561 L562 | K518-Y564 WeakPolarHBondContact CG-O 3.34Å; I530-Y564 HydrophobicContact CD1-CD1 4.24Å; I530-Y564 HydrophobicContact CD1-CG 4.18Å; I530-Y564 HydrophobicContact CG1-CD1 4.33Å; I530-Y564 HydrophobicContact CG2-CD1 3.66Å; I530-Y564 HydrophobicContact CG2-CE1 3.83Å; W531-Y564 WeakPolarHBondContact O-CD1 3.28Å; A532-Y564 HydrophobicContact CB-CD1 4.04Å; A532-Y564 HydrophobicContact CB-CE1 3.79Å; E542-Y564 PolarHBondContact OE2-OH 2.92Å; D561-Y564 HydrophobicContact CB-CD2 3.97Å; D561-Y564 HydrophobicContact CB-CE2 3.85Å; D561-Y564 PolarHBondContact O-N 2.91Å; L562-Y564 PolarHBondContact O-N 3.11Å; L562-Y564 VanDerWaalsContact O-N 3.16Å |
| 565 | E | 92 | Very high | 78.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | trans | -106.6 | 131.6 | -174 | -72.4 | -172.3 | -148.1 | 0 | 0 | 112.9 | T512 R514 T516 K518 L562 L581 | T512-E565 HydrophobicContact CG2-CG 4.22Å; R514-E565 IonicContact CZ-OE1 3.87Å; R514-E565 IonicContact CZ-OE2 3.55Å; R514-E565 IonicContact NE-OE1 2.69Å; R514-E565 PolarHBondContact NE-OE1 3.08Å; R514-E565 IonicContact NE-OE2 3.05Å; R514-E565 PolarHBondContact NE-OE2 3.33Å; R514-E565 IonicContact NH2-OE1 3.88Å; R514-E565 PolarHBondContact NH2-OE1 3.12Å; R514-E565 IonicContact NH2-OE2 3.56Å; T516-E565 PolarHBondContact OG1-OE2 3.44Å; K518-E565 HydrophobicContact CG-CG 4.4Å; L562-E565 PolarHBondContact O-N 2.87Å; L562-E565 VanDerWaalsContact O-N 3.16Å; E565-L581 HydrophobicContact CB-CB 4.33Å; E565-L581 HydrophobicContact CB-CD1 3.95Å; E565-L581 HydrophobicContact CB-CG 4.29Å; E565-L581 WeakPolarHBondContact O-CB 3.12Å; E565-L581 PolarHBondContact O-N 3.46Å | ||
| 566 | F | 93.6 | Very high | 80.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.5 | -177.2 | -60.9 | -91.2 | 0 | 0 | 0 | 111.1 | T516 Y517 F519 W531 A533 L539 I578 Q579 | T516-F566 WeakPolarHBondContact CB-O 3.36Å; Y517-F566 PolarHBondContact N-O 3.28Å; Y517-F566 PolarHBondContact O-N 3.14Å; F519-F566 HydrophobicContact CD2-CB 4.13Å; F519-F566 AromaticContact CD2-CD2 3.9Å; F519-F566 HydrophobicContact CD2-CD2 3.9Å; F519-F566 HydrophobicContact CD2-CG 4.11Å; F519-F566 HydrophobicContact CE2-CB 3.63Å; F519-F566 HydrophobicContact CE2-CD2 4.28Å; F519-F566 HydrophobicContact CE2-CG 4.06Å; W531-F566 HydrophobicContact CB-CD2 4.37Å; W531-F566 HydrophobicContact CB-CE2 3.5Å; W531-F566 VanDerWaalsContact CB-CE2 3.5Å; W531-F566 HydrophobicContact CB-CZ 3.87Å; W531-F566 HydrophobicContact CE3-CD1 4.24Å; W531-F566 HydrophobicContact CE3-CD2 4.25Å; W531-F566 HydrophobicContact CE3-CE1 4.01Å; W531-F566 HydrophobicContact CE3-CE2 4.04Å; W531-F566 HydrophobicContact CE3-CG 4.36Å; W531-F566 AromaticContact CE3-CZ 3.92Å; W531-F566 HydrophobicContact CE3-CZ 3.92Å; W531-F566 HydrophobicContact CG-CE2 4.47Å; A533-F566 HydrophobicContact CB-CE1 4.07Å; A533-F566 HydrophobicContact CB-CZ 3.89Å; L539-F566 HydrophobicContact CD1-CE1 3.7Å; L539-F566 HydrophobicContact CD1-CZ 3.55Å; F566-I578 HydrophobicContact CB-CG2 4.27Å; F566-I578 HydrophobicContact CD1-CG2 4.14Å; F566-Q579 CarbonylContact C-O 3.5Å; F566-Q579 WeakPolarHBondContact CA-O 3.34Å |
| 567 | Q | 91.5 | Very high | 82.7 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.3 | 176.4 | -170 | 167.4 | 24.2 | 0 | 0 | 110.8 | R428 I578 Q579 | R428-Q567 VanDerWaalsContact CB-OE1 3.24Å; R428-Q567 PolarHBondContact O-NE2 3.41Å; Q567-I578 WeakPolarHBondContact O-CA 3.47Å; Q567-Q579 HydrophobicContact CB-CB 4.37Å; Q567-Q579 PolarHBondContact N-O 2.87Å; Q567-Q579 PolarHBondContact O-N 3.15Å |
| 568 | L | 93.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.9 | 178 | -59.4 | -178.4 | 0 | 0 | 0 | 110.3 | L472 I478 F480 Y517 F519 V576 L577 I578 | L472-L568 HydrophobicContact CD2-CD1 4.48Å; I478-L568 HydrophobicContact CD1-CD1 4.46Å; F480-L568 HydrophobicContact CE1-CD2 4.19Å; Y517-L568 HydrophobicContact CD2-CD1 4.26Å; Y517-L568 HydrophobicContact CD2-CG 3.89Å; Y517-L568 HydrophobicContact CE2-CB 4.09Å; Y517-L568 HydrophobicContact CE2-CD1 4.07Å; Y517-L568 HydrophobicContact CE2-CG 3.85Å; F519-L568 HydrophobicContact CZ-CD2 4.18Å; F519-L568 HydrophobicContact CZ-CG 4.48Å; L568-V576 HydrophobicContact CB-CG1 4.38Å; L568-V576 HydrophobicContact CD2-CG2 4.16Å; L568-L577 WeakPolarHBondContact CA-O 3.48Å; L568-I578 HydrophobicContact CD2-CB 4.35Å; L568-I578 HydrophobicContact CD2-CG1 3.89Å; L568-I578 HydrophobicContact CD2-CG2 4.17Å |
| 569 | H | 91.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 108.4 | 172.7 | -62.4 | -71.4 | 0 | 0 | 0 | 109.1 | T418 R428 V576 L577 Q579 | T418-H569 WeakPolarHBondContact CG2-ND1 3.46Å; R428-H569 WeakPolarHBondContact CD-CE1 3.14Å; H569-V576 CarbonylContact O-C 3.58Å; H569-V576 WeakPolarHBondContact O-CA 3.4Å; H569-L577 HydrophobicContact CB-CB 3.98Å; H569-L577 HydrophobicContact CB-CD1 4.28Å; H569-L577 HydrophobicContact CB-CG 4.29Å; H569-L577 PolarHBondContact N-O 3.27Å; H569-L577 PolarHBondContact O-N 3.46Å; H569-Q579 PolarHBondContact NE2-OE1 3.34Å |
| 570 | F | 93.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.3 | -177.8 | -57.4 | -74.6 | 0 | 0 | 0 | 111.7 | L285 L320 T380 W383 M416 I470 L472 V576 I618 | L285-F570 HydrophobicContact CD1-CD1 3.5Å; L285-F570 VanDerWaalsContact CD1-CD1 3.5Å; L285-F570 HydrophobicContact CD1-CE1 3.93Å; L285-F570 HydrophobicContact CD1-CG 4.15Å; L285-F570 HydrophobicContact CD2-CD1 4.32Å; L285-F570 HydrophobicContact CD2-CE1 4.03Å; L320-F570 HydrophobicContact CD2-CB 4.42Å; L320-F570 HydrophobicContact CD2-CD2 4.2Å; L320-F570 HydrophobicContact CD2-CG 4.27Å; T380-F570 WeakPolarHBondContact CG2-O 3.47Å; W383-F570 HydrophobicContact CH2-CB 3.79Å; W383-F570 HydrophobicContact CZ2-CB 4.12Å; M416-F570 HydrophobicContact CE-CB 3.99Å; I470-F570 HydrophobicContact CD1-CD2 4.21Å; I470-F570 HydrophobicContact CD1-CE2 4.21Å; I470-F570 HydrophobicContact CG1-CE2 4.08Å; I470-F570 HydrophobicContact CG2-CD2 4.1Å; I470-F570 HydrophobicContact CG2-CE2 3.87Å; L472-F570 HydrophobicContact CB-CZ 4.32Å; F570-V576 HydrophobicContact CD1-CG1 3.63Å; F570-V576 HydrophobicContact CE1-CG1 4.03Å; F570-V576 HydrophobicContact CG-CG1 4.47Å; F570-I618 HydrophobicContact CE1-CD1 4.24Å |
| 571 | L | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -1.4 | -174.9 | -52.8 | 178.3 | 0 | 0 | 0 | 113.7 | F328 A330 L378 T380 R575 L577 I615 | F328-L571 HydrophobicContact CD1-CB 4.49Å; F328-L571 HydrophobicContact CD1-CD1 4.44Å; F328-L571 HydrophobicContact CD1-CD2 3.96Å; F328-L571 HydrophobicContact CE1-CB 4.39Å; F328-L571 HydrophobicContact CE1-CD1 3.75Å; F328-L571 HydrophobicContact CE1-CD2 4.09Å; F328-L571 HydrophobicContact CE1-CG 4.29Å; A330-L571 HydrophobicContact CB-CB 4.11Å; A330-L571 HydrophobicContact CB-CD1 4.47Å; L378-L571 HydrophobicContact CD2-CD2 3.99Å; T380-L571 HydrophobicContact CG2-CD2 3.88Å; L571-R575 HydrophobicContact CB-CB 4.33Å; L571-R575 PolarHBondContact N-O 3.23Å; L571-L577 HydrophobicContact CD1-CD2 3.58Å; L571-L577 HydrophobicContact CD1-CG 3.7Å; L571-L577 HydrophobicContact CD2-CD1 4.15Å; L571-L577 HydrophobicContact CD2-CG 3.98Å; L571-L577 HydrophobicContact CG-CG 4.18Å; L571-I615 HydrophobicContact CD1-CG1 4.21Å; L571-I615 HydrophobicContact CD1-CG2 4.2Å |
| 572 | G | 88.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | 161.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y322 W383 S574 R575 | Y322-G572 VanDerWaalsContact CG-CA 3.4Å; W383-G572 VanDerWaalsContact CH2-CA 3.46Å; W383-G572 VanDerWaalsContact CH2-N 3.25Å; G572-S574 VanDerWaalsContact C-N 3.28Å; G572-S574 PolarHBondContact O-N 2.89Å; G572-R575 WeakPolarHBondContact O-CB 3.49Å; G572-R575 PolarHBondContact O-N 3.25Å |
| 573 | H | 85.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 14.4 Ų | 14.4 | 18% | 0.181 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 44 | -179.7 | -53.8 | 98.9 | 0 | 0 | 0 | 113.9 | Y7 Y322 R575 | Y7-H573 AromaticContact CD1-NE2 3.36Å; Y7-H573 WeakPolarHBondContact CD1-NE2 3.03Å; Y7-H573 AromaticContact CE1-NE2 3.79Å; Y322-H573 AromaticContact CD1-CE1 3.48Å; Y322-H573 VanDerWaalsContact CD1-CE1 3.48Å; Y322-H573 WeakPolarHBondContact CD1-CE1 3.43Å; Y322-H573 AromaticContact CD1-ND1 3.57Å; Y322-H573 AromaticContact CE1-CE1 3.3Å; Y322-H573 WeakPolarHBondContact CE1-CE1 3.5Å; Y322-H573 AromaticContact CE1-ND1 3.55Å; H573-R575 PolarHBondContact O-N 3.06Å; H573-R575 VanDerWaalsContact O-N 3.16Å |
| 574 | S | 90.3 | Very high | 89 | Confident | 13 Ų | 13 | 15.3 Ų | 15.3 | 9% | 0.091 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 30.9 | -176.6 | -57.3 | 0 | 0 | 0 | 0 | 114.6 | V283 G572 E617 I618 | V283-S574 PolarHBondContact O-OG 3.03Å; G572-S574 VanDerWaalsContact C-N 3.28Å; G572-S574 PolarHBondContact O-N 2.89Å; S574-E617 CarbonylContact O-C 3.52Å; S574-E617 WeakPolarHBondContact O-CA 3.43Å; S574-I618 WeakPolarHBondContact CB-O 3.45Å; S574-I618 VanDerWaalsContact O-CG1 3.28Å; S574-I618 WeakPolarHBondContact O-CG1 3.21Å; S574-I618 PolarHBondContact O-N 3.05Å |
| 575 | R | 93 | Very high | 87 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 147.6 | 174.3 | -62.6 | 177.7 | -172.4 | 112.8 | 0.2 | 111.9 | L571 G572 H573 I615 W616 E617 | L571-R575 HydrophobicContact CB-CB 4.33Å; L571-R575 PolarHBondContact N-O 3.23Å; G572-R575 WeakPolarHBondContact O-CB 3.49Å; G572-R575 PolarHBondContact O-N 3.25Å; H573-R575 PolarHBondContact O-N 3.06Å; H573-R575 VanDerWaalsContact O-N 3.16Å; R575-I615 HydrophobicContact CB-CG2 3.87Å; R575-I615 HydrophobicContact CG-CG2 4.11Å; R575-W616 CarbonylContact C-O 3.57Å; R575-W616 VanDerWaalsContact CA-O 3.23Å; R575-W616 WeakPolarHBondContact CA-O 3.31Å; R575-E617 HydrophobicContact CG-CB 4.44Å |
| 576 | V | 95.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.1 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | L568 H569 F570 I578 W616 I618 | L568-V576 HydrophobicContact CB-CG1 4.38Å; L568-V576 HydrophobicContact CD2-CG2 4.16Å; H569-V576 CarbonylContact O-C 3.58Å; H569-V576 WeakPolarHBondContact O-CA 3.4Å; F570-V576 HydrophobicContact CD1-CG1 3.63Å; F570-V576 HydrophobicContact CE1-CG1 4.03Å; F570-V576 HydrophobicContact CG-CG1 4.47Å; V576-I578 HydrophobicContact CG2-CG1 4.2Å; V576-W616 HydrophobicContact CG2-CB 4.12Å; V576-W616 PolarHBondContact N-O 2.89Å; V576-W616 PolarHBondContact O-N 3.3Å; V576-I618 HydrophobicContact CG1-CD1 3.48Å; V576-I618 VanDerWaalsContact CG1-CD1 3.48Å; V576-I618 HydrophobicContact CG1-CG1 4Å; V576-I618 HydrophobicContact CG2-CD1 4.41Å; V576-I618 HydrophobicContact CG2-CG1 4.43Å; V576-I618 HydrophobicContact CG2-CG2 3.74Å |
| 577 | L | 94.3 | Very high | 83.4 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.8 | 151.7 | -46.4 | 169 | 0 | 0 | 0 | 108.2 | L378 L568 H569 L571 L591 I610 Y614 I615 | L378-L577 HydrophobicContact CD2-CD1 3.93Å; L568-L577 WeakPolarHBondContact CA-O 3.48Å; H569-L577 HydrophobicContact CB-CB 3.98Å; H569-L577 HydrophobicContact CB-CD1 4.28Å; H569-L577 HydrophobicContact CB-CG 4.29Å; H569-L577 PolarHBondContact N-O 3.27Å; H569-L577 PolarHBondContact O-N 3.46Å; L571-L577 HydrophobicContact CD1-CD2 3.58Å; L571-L577 HydrophobicContact CD1-CG 3.7Å; L571-L577 HydrophobicContact CD2-CD1 4.15Å; L571-L577 HydrophobicContact CD2-CG 3.98Å; L571-L577 HydrophobicContact CG-CG 4.18Å; L577-L591 HydrophobicContact CB-CD1 4.41Å; L577-L591 HydrophobicContact CB-CD2 4.23Å; L577-L591 HydrophobicContact CD1-CD1 4.11Å; L577-I610 HydrophobicContact CD1-CD1 3.48Å; L577-I610 VanDerWaalsContact CD1-CD1 3.48Å; L577-I610 HydrophobicContact CD1-CG1 4.17Å; L577-I610 HydrophobicContact CD1-CG2 4.41Å; L577-I610 HydrophobicContact CD2-CG2 3.67Å; L577-Y614 WeakPolarHBondContact CD2-O 3.2Å; L577-I615 HydrophobicContact CD2-CG1 4.39Å |
| 578 | I | 95.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.3 | 174.5 | -47.1 | 168.7 | 0 | 0 | 0 | 107.2 | F480 W531 F566 Q567 L568 V576 L591 V592 W616 | F480-I578 HydrophobicContact CD1-CD1 3.51Å; F480-I578 HydrophobicContact CD1-CG1 4.34Å; F480-I578 HydrophobicContact CE1-CD1 3.62Å; F480-I578 HydrophobicContact CE1-CG1 4.13Å; F480-I578 HydrophobicContact CG-CD1 4.01Å; F480-I578 HydrophobicContact CZ-CD1 4.2Å; W531-I578 HydrophobicContact CH2-CD1 4.25Å; W531-I578 HydrophobicContact CZ3-CD1 4.42Å; W531-I578 HydrophobicContact CZ3-CG2 4.23Å; F566-I578 HydrophobicContact CB-CG2 4.27Å; F566-I578 HydrophobicContact CD1-CG2 4.14Å; Q567-I578 WeakPolarHBondContact O-CA 3.47Å; L568-I578 HydrophobicContact CD2-CB 4.35Å; L568-I578 HydrophobicContact CD2-CG1 3.89Å; L568-I578 HydrophobicContact CD2-CG2 4.17Å; V576-I578 HydrophobicContact CG2-CG1 4.2Å; I578-L591 CarbonylContact O-C 3.49Å; I578-L591 VanDerWaalsContact O-CA 3.3Å; I578-L591 WeakPolarHBondContact O-CA 3.26Å; I578-V592 HydrophobicContact CB-CB 3.95Å; I578-V592 HydrophobicContact CB-CG2 3.69Å; I578-V592 HydrophobicContact CD1-CB 4.47Å; I578-V592 HydrophobicContact CG2-CB 4.44Å; I578-V592 HydrophobicContact CG2-CG2 3.66Å; I578-V592 PolarHBondContact O-N 2.76Å; I578-W616 HydrophobicContact CD1-CB 4.19Å; I578-W616 HydrophobicContact CD1-CD2 4.12Å; I578-W616 HydrophobicContact CD1-CG 3.72Å; I578-W616 HydrophobicContact CG1-CG 4.19Å |
| 579 | Q | 91.8 | Very high | 81.8 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.047 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.6 | 177.6 | 176.5 | -173.9 | -9.3 | 0 | 0 | 110.3 | F566 Q567 H569 I589 S590 L591 | F566-Q579 CarbonylContact C-O 3.5Å; F566-Q579 WeakPolarHBondContact CA-O 3.34Å; Q567-Q579 HydrophobicContact CB-CB 4.37Å; Q567-Q579 PolarHBondContact N-O 2.87Å; Q567-Q579 PolarHBondContact O-N 3.15Å; H569-Q579 PolarHBondContact NE2-OE1 3.34Å; Q579-I589 HydrophobicContact CG-CG2 3.84Å; Q579-S590 CarbonylContact C-O 3.56Å; Q579-S590 WeakPolarHBondContact CA-O 3.4Å; Q579-S590 WeakPolarHBondContact CG-O 3.16Å; Q579-L591 HydrophobicContact CB-CD2 3.78Å; Q579-L591 HydrophobicContact CG-CD2 4.34Å |
| 580 | S | 91 | Very high | 81.6 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135.5 | 164.6 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | A533 N582 S590 | A533-S580 WeakPolarHBondContact CB-OG 3.45Å; S580-N582 VanDerWaalsContact C-N 3.33Å; S580-N582 PolarHBondContact OG-N 3.07Å; S580-N582 PolarHBondContact OG-O 3.21Å; S580-S590 PolarHBondContact N-O 3.38Å |
| 581 | L | 87.1 | Confident | 81.5 | Confident | 29 Ų | 29 | 30.7 Ų | 30.7 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -82.7 | -13.8 | 168.1 | -61.4 | -166.8 | 0 | 0 | 0 | 112.9 | T516 L562 E565 N583 | T516-L581 HydrophobicContact CG2-CD1 3.59Å; L562-L581 HydrophobicContact CB-CB 4.25Å; L562-L581 HydrophobicContact CD2-CB 4.09Å; L562-L581 HydrophobicContact CD2-CD1 4.25Å; E565-L581 HydrophobicContact CB-CB 4.33Å; E565-L581 HydrophobicContact CB-CD1 3.95Å; E565-L581 HydrophobicContact CB-CG 4.29Å; E565-L581 WeakPolarHBondContact O-CB 3.12Å; E565-L581 PolarHBondContact O-N 3.46Å; L581-N583 PolarHBondContact O-N 3.11Å |
| 582 | N | 85.8 | Confident | 81.7 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -83.9 | 102.3 | 170.6 | -156.9 | 12.6 | 0 | 0 | 0 | 109.9 | A533 L562 S580 | A533-N582 HydrophobicContact CB-CB 4.09Å; A533-N582 PolarHBondContact O-ND2 3.43Å; L562-N582 PolarHBondContact O-N 3.28Å; S580-N582 VanDerWaalsContact C-N 3.33Å; S580-N582 PolarHBondContact OG-N 3.07Å; S580-N582 PolarHBondContact OG-O 3.21Å |
| 583 | N | 70.5 | Confident | 82 | Confident | 55 Ų | 55 | 31.9 Ų | 31.9 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | trans | -104.2 | 125.6 | -167.8 | -147.9 | 4.4 | 0 | 0 | 0 | 110.9 | L535 L581 S588 S590 | L535-N583 WeakPolarHBondContact CD2-O 3.21Å; L581-N583 PolarHBondContact O-N 3.11Å; N583-S588 PolarHBondContact ND2-O 2.8Å; N583-S588 PolarHBondContact OD1-O 2.88Å; N583-S590 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 584 | Q | 58.8 | Low | 82.4 | Confident | 55 Ų | 55 | 30 Ų | 30 | 26% | 0.257 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -76.2 | -33.1 | -166.5 | -54.9 | -161 | -18.6 | 0 | 0 | 114.1 | S534 L535 | S534-Q584 PolarHBondContact O-NE2 2.91Å; L535-Q584 VanDerWaalsContact C-NE2 3.34Å; L535-Q584 WeakPolarHBondContact O-CB 3.42Å; L535-Q584 VanDerWaalsContact O-CG 3.28Å; L535-Q584 WeakPolarHBondContact O-CG 3.46Å; L535-Q584 PolarHBondContact O-OE1 2.79Å |
| 585 | R | 52.8 | Low | 82.5 | Confident | 201 Ų | 201 | 31.7 Ų | 31.7 | 76% | 0.758 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -150.3 | 144.3 | -175.2 | -70.3 | -170.6 | 177 | -176.2 | -1.3 | 109.1 | ||
| 586 | G | 51.5 | Low | 82.1 | Confident | 67 Ų | 67 | 37.5 Ų | 37.5 | 69% | 0.691 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -42.3 | 144.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S588 | G586-S588 PolarHBondContact O-N 3.29Š|
| 587 | N | 59 | Low | 81.7 | Confident | 73 Ų | 73 | 45.9 Ų | 45.9 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 47.6 | 51 | 164.8 | -60.2 | 8.8 | 0 | 0 | 0 | 116.9 | I422 N423 | I422-N587 HydrophobicContact CG2-CB 3.34Å; I422-N587 WeakPolarHBondContact CG2-O 3.39Å; N423-N587 VanDerWaalsContact CG-CG 3.49Å; N423-N587 VanDerWaalsContact CG-ND2 3.32Å; N423-N587 PolarHBondContact ND2-ND2 2.75Å; N423-N587 PolarHBondContact OD1-ND2 3.4Å; N423-N587 PolarHBondContact OD1-OD1 3.38Å |
| 588 | S | 70.4 | Confident | 81.5 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -150.4 | 169.8 | 172 | -78.2 | 0 | 0 | 0 | 0 | 112.8 | N583 G586 | N583-S588 PolarHBondContact ND2-O 2.8Å; N583-S588 PolarHBondContact OD1-O 2.88Å; G586-S588 PolarHBondContact O-N 3.29Å |
| 589 | I | 80.2 | Confident | 81.4 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | trans | -96.6 | 119.7 | -178.3 | -42.5 | 167.3 | 0 | 0 | 0 | 107.9 | Y376 Q579 L591 P605 | Y376-I589 HydrophobicContact CD1-CD1 3.47Å; Y376-I589 VanDerWaalsContact CD1-CD1 3.47Å; Y376-I589 HydrophobicContact CD2-CD1 3.38Å; Y376-I589 HydrophobicContact CE1-CD1 3.72Å; Y376-I589 HydrophobicContact CE2-CD1 3.67Å; Y376-I589 HydrophobicContact CG-CD1 3.25Å; Y376-I589 HydrophobicContact CG-CG1 4.41Å; Q579-I589 HydrophobicContact CG-CG2 3.84Å; I589-L591 HydrophobicContact CG2-CD2 3.61Å; I589-L591 HydrophobicContact CG2-CG 4Å; I589-P605 WeakPolarHBondContact O-CD 3.19Å | ||
| 590 | S | 86.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 112.1 | 172.8 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | Q579 S580 N583 L602 | Q579-S590 CarbonylContact C-O 3.56Å; Q579-S590 WeakPolarHBondContact CA-O 3.4Å; Q579-S590 WeakPolarHBondContact CG-O 3.16Å; S580-S590 PolarHBondContact N-O 3.38Å; N583-S590 WeakPolarHBondContact OD1-CB 3.37Å; S590-L602 WeakPolarHBondContact OG-CB 3.47Å |
| 591 | L | 91.7 | Very high | 81.8 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147 | -179.9 | -62.6 | -175.9 | 0 | 0 | 0 | 111.2 | L577 I578 Q579 I589 K593 L602 D603 P605 Y614 | L577-L591 HydrophobicContact CB-CD1 4.41Å; L577-L591 HydrophobicContact CB-CD2 4.23Å; L577-L591 HydrophobicContact CD1-CD1 4.11Å; I578-L591 CarbonylContact O-C 3.49Å; I578-L591 VanDerWaalsContact O-CA 3.3Å; I578-L591 WeakPolarHBondContact O-CA 3.26Å; Q579-L591 HydrophobicContact CB-CD2 3.78Å; Q579-L591 HydrophobicContact CG-CD2 4.34Å; I589-L591 HydrophobicContact CG2-CD2 3.61Å; I589-L591 HydrophobicContact CG2-CG 4Å; L591-K593 PolarHBondContact O-N 3.29Å; L591-L602 WeakPolarHBondContact O-CA 3.5Å; L591-D603 PolarHBondContact N-O 2.78Å; L591-D603 PolarHBondContact O-N 3.01Å; L591-P605 HydrophobicContact CD1-CG 3.62Å; L591-P605 HydrophobicContact CG-CG 4.21Å; L591-Y614 HydrophobicContact CB-CD1 3.73Å; L591-Y614 HydrophobicContact CB-CE1 4.22Å; L591-Y614 HydrophobicContact CD1-CD1 4.13Å; L591-Y614 HydrophobicContact CD1-CG 4.39Å |
| 592 | V | 96 | Very high | 82.1 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 120.8 | 170.2 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | L539 I578 V600 L602 W616 | L539-V592 HydrophobicContact CD2-CB 4.45Å; L539-V592 HydrophobicContact CD2-CG1 3.66Å; L539-V592 HydrophobicContact CD2-CG2 3.89Å; I578-V592 HydrophobicContact CB-CB 3.95Å; I578-V592 HydrophobicContact CB-CG2 3.69Å; I578-V592 HydrophobicContact CD1-CB 4.47Å; I578-V592 HydrophobicContact CG2-CB 4.44Å; I578-V592 HydrophobicContact CG2-CG2 3.66Å; I578-V592 PolarHBondContact O-N 2.76Å; V592-V600 HydrophobicContact CG1-CG1 3.49Å; V592-V600 VanDerWaalsContact CG1-CG1 3.49Å; V592-L602 HydrophobicContact CG2-CD2 3.87Å; V592-W616 HydrophobicContact CG1-CZ2 3.72Å; V592-W616 PolarHBondContact O-NE1 2.9Å |
| 593 | K | 94.5 | Very high | 82.3 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.8 | -175.5 | -175.3 | -173.3 | 177.5 | -166.2 | 0 | 110.8 | L591 E595 V600 K601 D603 N613 Y614 | L591-K593 PolarHBondContact O-N 3.29Å; K593-E595 VanDerWaalsContact CE-OE1 3.3Å; K593-E595 WeakPolarHBondContact CE-OE1 3.04Å; K593-E595 IonicContact NZ-OE1 2.82Å; K593-E595 PolarHBondContact NZ-OE1 3.36Å; K593-V600 WeakPolarHBondContact O-CA 3.42Å; K593-K601 PolarHBondContact N-O 2.94Å; K593-K601 PolarHBondContact O-N 2.91Å; K593-D603 HydrophobicContact CB-CB 3.95Å; K593-D603 HydrophobicContact CD-CB 3.61Å; K593-D603 WeakPolarHBondContact CD-OD2 3.23Å; K593-D603 WeakPolarHBondContact CE-OD2 3.42Å; K593-D603 HydrophobicContact CG-CB 4.45Å; K593-D603 IonicContact NZ-OD2 2.81Å; K593-D603 PolarHBondContact NZ-OD2 2.87Å; K593-N613 WeakPolarHBondContact CA-O 3.49Å; K593-N613 HydrophobicContact CD-CB 4.48Å; K593-N613 HydrophobicContact CG-CB 3.83Å; K593-Y614 HydrophobicContact CB-CD1 3.83Å; K593-Y614 HydrophobicContact CB-CE1 3.71Å; K593-Y614 HydrophobicContact CD-CE1 3.79Å; K593-Y614 HydrophobicContact CG-CD1 4.04Å; K593-Y614 HydrophobicContact CG-CE1 3.78Å |
| 594 | S | 94.6 | Very high | 83 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.6 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | S482 L484 T485 S499 N613 | S482-S594 VanDerWaalsContact OG-CB 3.26Å; S482-S594 WeakPolarHBondContact OG-CB 3.28Å; S482-S594 PolarHBondContact OG-OG 3.01Å; L484-S594 VanDerWaalsContact CD2-O 3.26Å; L484-S594 WeakPolarHBondContact CD2-O 3.48Å; T485-S594 WeakPolarHBondContact CG2-OG 3.39Å; S499-S594 PolarHBondContact OG-OG 3.47Å; S594-N613 PolarHBondContact N-O 3.05Å; S594-N613 WeakPolarHBondContact O-CB 3.46Å; S594-N613 PolarHBondContact O-ND2 2.75Å |
| 595 | E | 92.1 | Very high | 83.9 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | trans | -92.8 | 161.2 | 170.5 | -66.3 | -67.5 | 175.6 | 0 | 0 | 110.8 | T485 K593 K597 G598 D599 K601 | T485-E595 WeakPolarHBondContact CG2-O 3.37Å; K593-E595 VanDerWaalsContact CE-OE1 3.3Å; K593-E595 WeakPolarHBondContact CE-OE1 3.04Å; K593-E595 IonicContact NZ-OE1 2.82Å; K593-E595 PolarHBondContact NZ-OE1 3.36Å; E595-K597 PolarHBondContact O-N 3.39Å; E595-K597 VanDerWaalsContact O-N 3.08Å; E595-G598 WeakPolarHBondContact O-CA 3.44Å; E595-G598 PolarHBondContact O-N 2.83Å; E595-D599 HydrophobicContact CB-CB 4.43Å; E595-D599 PolarHBondContact N-O 3.29Å; E595-K601 WeakPolarHBondContact OE1-CE 3.35Å; E595-K601 IonicContact OE1-NZ 3.39Å; E595-K601 PolarHBondContact OE1-NZ 3.03Å | ||
| 596 | I | 84.8 | Confident | 84.7 | Confident | 135 Ų | 135 | 46.9 Ų | 46.9 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31.7 | -175.1 | -65.1 | 169.8 | 0 | 0 | 0 | 112.5 | L484 G598 | L484-I596 HydrophobicContact CD1-CG1 4.41Å; L484-I596 HydrophobicContact CD2-CG1 4.15Å; I596-G598 PolarHBondContact O-N 2.68Å |
| 597 | K | 86.8 | Confident | 85.4 | Confident | 176 Ų | 176 | 47.7 Ų | 47.7 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -8.9 | 176.8 | -65.4 | -178.4 | -179 | 176.3 | 0 | 113.3 | E595 | E595-K597 PolarHBondContact O-N 3.39Å; E595-K597 VanDerWaalsContact O-N 3.08Å |
| 598 | G | 89.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 91.1 | 0.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D498 S499 E595 I596 V600 | D498-G598 CarbonylContact C-O 3.48Å; D498-G598 WeakPolarHBondContact CA-O 3.33Å; S499-G598 PolarHBondContact N-O 3.27Å; S499-G598 PolarHBondContact OG-O 2.61Å; S499-G598 VanDerWaalsContact OG-O 3.05Å; E595-G598 WeakPolarHBondContact O-CA 3.44Å; E595-G598 PolarHBondContact O-N 2.83Å; I596-G598 PolarHBondContact O-N 2.68Å; G598-V600 PolarHBondContact O-N 2.92Å |
| 599 | D | 93.7 | Very high | 86.2 | Confident | 96 Ų | 96 | 49.4 Ų | 49.4 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 136.7 | 170 | -56.9 | -52.3 | 0 | 0 | 0 | 109.5 | E595 | E595-D599 HydrophobicContact CB-CB 4.43Å; E595-D599 PolarHBondContact N-O 3.29Å |
| 600 | V | 96.3 | Very high | 86.4 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.6 | 179.9 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | L489 L497 S499 L539 V592 K593 G598 W616 | L489-V600 HydrophobicContact CD1-CB 4.11Å; L489-V600 HydrophobicContact CD1-CG1 3.93Å; L489-V600 HydrophobicContact CD1-CG2 3.68Å; L497-V600 WeakPolarHBondContact O-CB 3.49Å; S499-V600 VanDerWaalsContact OG-CG2 3.27Å; S499-V600 WeakPolarHBondContact OG-CG2 3.44Å; L539-V600 HydrophobicContact CD2-CG1 4.2Å; V592-V600 HydrophobicContact CG1-CG1 3.49Å; V592-V600 VanDerWaalsContact CG1-CG1 3.49Å; K593-V600 WeakPolarHBondContact O-CA 3.42Å; G598-V600 PolarHBondContact O-N 2.92Å; V600-W616 HydrophobicContact CG1-CH2 4.29Å; V600-W616 HydrophobicContact CG1-CZ2 4.23Å; V600-W616 HydrophobicContact CG2-CH2 3.86Å; V600-W616 HydrophobicContact CG2-CZ2 4.47Å |
| 601 | K | 94.5 | Very high | 86.5 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 167.8 | 179.3 | 65.9 | -178.7 | 179.8 | -166.7 | 0 | 110.7 | G537 K593 E595 | G537-K601 WeakPolarHBondContact O-CA 3.3Å; G537-K601 WeakPolarHBondContact O-CB 3.48Å; K593-K601 PolarHBondContact N-O 2.94Å; K593-K601 PolarHBondContact O-N 2.91Å; E595-K601 WeakPolarHBondContact OE1-CE 3.35Å; E595-K601 IonicContact OE1-NZ 3.39Å; E595-K601 PolarHBondContact OE1-NZ 3.03Å |
| 602 | L | 93.2 | Very high | 86.3 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.9 | 165.1 | -63.7 | 173.1 | 0 | 0 | 0 | 108.9 | A533 G537 L539 S590 L591 V592 | A533-L602 HydrophobicContact CB-CD1 3.43Å; A533-L602 VanDerWaalsContact CB-CD1 3.43Å; G537-L602 PolarHBondContact O-N 3.25Å; L539-L602 HydrophobicContact CB-CG 4.48Å; S590-L602 WeakPolarHBondContact OG-CB 3.47Å; L591-L602 WeakPolarHBondContact O-CA 3.5Å; V592-L602 HydrophobicContact CG2-CD2 3.87Å |
| 603 | D | 90.2 | Very high | 86.2 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.9 | 179.9 | -164.8 | 18.6 | 0 | 0 | 0 | 110.3 | L591 K593 Y614 | L591-D603 PolarHBondContact N-O 2.78Å; L591-D603 PolarHBondContact O-N 3.01Å; K593-D603 HydrophobicContact CB-CB 3.95Å; K593-D603 HydrophobicContact CD-CB 3.61Å; K593-D603 WeakPolarHBondContact CD-OD2 3.23Å; K593-D603 WeakPolarHBondContact CE-OD2 3.42Å; K593-D603 HydrophobicContact CG-CB 4.45Å; K593-D603 IonicContact NZ-OD2 2.81Å; K593-D603 PolarHBondContact NZ-OD2 2.87Å; D603-Y614 HydrophobicContact CB-CE1 4.11Å; D603-Y614 PolarHBondContact OD2-OH 3.19Å |
| 604 | I | 85.1 | Confident | 86.1 | Confident | 55 Ų | 55 | 53 Ų | 53 | 28% | 0.282 | 31% | 0.306 | S | S | . | . | trans | -102.3 | 119.4 | 173.2 | -66.3 | 165.2 | 0 | 0 | 0 | 106.8 | S606 | I604-S606 PolarHBondContact O-N 3.43Š| ||
| 605 | P | 79.3 | Confident | 86.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | trans | -55.5 | 112.8 | 179.1 | -25.9 | 34.5 | 0 | 0 | 0 | 112.2 | I589 L591 G607 G608 Y614 | I589-P605 WeakPolarHBondContact O-CD 3.19Å; L591-P605 HydrophobicContact CD1-CG 3.62Å; L591-P605 HydrophobicContact CG-CG 4.21Å; P605-G607 PolarHBondContact O-N 3.41Å; P605-G608 PolarHBondContact O-N 3.25Å; P605-Y614 HydrophobicContact CB-CE2 4.43Å; P605-Y614 HydrophobicContact CG-CE1 4.07Å; P605-Y614 HydrophobicContact CG-CE2 4.43Å | ||
| 606 | S | 69 | Low | 86.3 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 71% | 0.706 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -56.4 | 122.4 | 176.4 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | I604 G608 D609 | I604-S606 PolarHBondContact O-N 3.43Å; S606-G608 PolarHBondContact O-N 3.31Å; S606-D609 PolarHBondContact O-N 3.3Å |
| 607 | G | 66.6 | Low | 86.7 | Confident | 85 Ų | 85 | 45.3 Ų | 45.3 | 88% | 0.876 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | 69.9 | 4.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P605 D609 | P605-G607 PolarHBondContact O-N 3.41Å; G607-D609 VanDerWaalsContact C-N 3.3Å |
| 608 | G | 68.5 | Low | 87.1 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 83.6 | 0 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P605 S606 I610 | P605-G608 PolarHBondContact O-N 3.25Å; S606-G608 PolarHBondContact O-N 3.31Å; G608-I610 PolarHBondContact O-N 3.1Å |
| 609 | D | 76.8 | Confident | 87 | Confident | 120 Ų | 120 | 38.8 Ų | 38.8 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | trans | -76.9 | 116.1 | -177.3 | -72.9 | -27.3 | 0 | 0 | 0 | 111.7 | S606 G607 T611 | S606-D609 PolarHBondContact O-N 3.3Å; G607-D609 VanDerWaalsContact C-N 3.3Å; D609-T611 PolarHBondContact O-N 2.84Å | ||
| 610 | I | 85.4 | Confident | 86.6 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | trans | -84.7 | 112.7 | 173.3 | -64.1 | 160.4 | 0 | 0 | 0 | 108.9 | F328 Y376 L378 L577 G608 I615 | F328-I610 HydrophobicContact CD2-CB 4.38Å; F328-I610 HydrophobicContact CE1-CG2 4.37Å; F328-I610 HydrophobicContact CE2-CB 3.63Å; F328-I610 HydrophobicContact CE2-CD1 4.46Å; F328-I610 HydrophobicContact CE2-CG2 3.7Å; F328-I610 HydrophobicContact CZ-CB 3.99Å; F328-I610 HydrophobicContact CZ-CG2 3.49Å; F328-I610 VanDerWaalsContact CZ-CG2 3.49Å; Y376-I610 WeakPolarHBondContact OH-CD1 3.13Å; L378-I610 HydrophobicContact CD1-CD1 3.91Å; L378-I610 HydrophobicContact CD2-CD1 3.95Å; L577-I610 HydrophobicContact CD1-CD1 3.48Å; L577-I610 VanDerWaalsContact CD1-CD1 3.48Å; L577-I610 HydrophobicContact CD1-CG1 4.17Å; L577-I610 HydrophobicContact CD1-CG2 4.41Å; L577-I610 HydrophobicContact CD2-CG2 3.67Å; G608-I610 PolarHBondContact O-N 3.1Å; I610-I615 HydrophobicContact CG2-CG1 4.41Å | ||
| 611 | T | 87.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 37.3 Ų | 37.3 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | trans | -100.8 | 172 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | D609 N613 Y614 | D609-T611 PolarHBondContact O-N 2.84Å; T611-N613 PolarHBondContact O-N 2.91Å; T611-N613 PolarHBondContact OG1-OD1 3.3Å; T611-Y614 WeakPolarHBondContact O-CD2 3.35Å; T611-Y614 PolarHBondContact O-N 2.63Å; T611-Y614 VanDerWaalsContact O-N 3.09Å | ||
| 612 | V | 88.5 | Confident | 85.6 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -50.8 | -26.8 | 177.5 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | I334 S483 L484 Y614 I615 | I334-V612 HydrophobicContact CB-CG2 4.3Å; I334-V612 HydrophobicContact CG1-CB 4.43Å; I334-V612 HydrophobicContact CG1-CG2 3.8Å; I334-V612 HydrophobicContact CG2-CG2 4.41Å; S483-V612 WeakPolarHBondContact O-CG2 3.35Å; L484-V612 HydrophobicContact CB-CG1 4.41Å; L484-V612 HydrophobicContact CB-CG2 4.22Å; L484-V612 HydrophobicContact CD1-CG1 3.75Å; V612-Y614 PolarHBondContact O-N 3.32Å; V612-Y614 VanDerWaalsContact O-N 3.16Å; V612-I615 PolarHBondContact O-N 3.29Å; V612-I615 VanDerWaalsContact O-N 3.17Å |
| 613 | N | 92.5 | Very high | 85.1 | Confident | 26 Ų | 26 | 36.7 Ų | 36.7 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -60.5 | -23.4 | 179.6 | -64.2 | 64.9 | 0 | 0 | 0 | 113.8 | L484 K593 S594 T611 | L484-N613 HydrophobicContact CD2-CB 4.37Å; L484-N613 VanDerWaalsContact CD2-ND2 3.28Å; L484-N613 WeakPolarHBondContact CD2-ND2 3.31Å; K593-N613 WeakPolarHBondContact CA-O 3.49Å; K593-N613 HydrophobicContact CD-CB 4.48Å; K593-N613 HydrophobicContact CG-CB 3.83Å; S594-N613 PolarHBondContact N-O 3.05Å; S594-N613 WeakPolarHBondContact O-CB 3.46Å; S594-N613 PolarHBondContact O-ND2 2.75Å; T611-N613 PolarHBondContact O-N 2.91Å; T611-N613 PolarHBondContact OG1-OD1 3.3Å |
| 614 | Y | 93.8 | Very high | 84.8 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -99.2 | -5 | -177.8 | -57.8 | -80.6 | 0 | 0 | 0 | 113.3 | L577 L591 K593 D603 P605 T611 V612 | L577-Y614 WeakPolarHBondContact CD2-O 3.2Å; L591-Y614 HydrophobicContact CB-CD1 3.73Å; L591-Y614 HydrophobicContact CB-CE1 4.22Å; L591-Y614 HydrophobicContact CD1-CD1 4.13Å; L591-Y614 HydrophobicContact CD1-CG 4.39Å; K593-Y614 HydrophobicContact CB-CD1 3.83Å; K593-Y614 HydrophobicContact CB-CE1 3.71Å; K593-Y614 HydrophobicContact CD-CE1 3.79Å; K593-Y614 HydrophobicContact CG-CD1 4.04Å; K593-Y614 HydrophobicContact CG-CE1 3.78Å; D603-Y614 HydrophobicContact CB-CE1 4.11Å; D603-Y614 PolarHBondContact OD2-OH 3.19Å; P605-Y614 HydrophobicContact CB-CE2 4.43Å; P605-Y614 HydrophobicContact CG-CE1 4.07Å; P605-Y614 HydrophobicContact CG-CE2 4.43Å; T611-Y614 WeakPolarHBondContact O-CD2 3.35Å; T611-Y614 PolarHBondContact O-N 2.63Å; T611-Y614 VanDerWaalsContact O-N 3.09Å; V612-Y614 PolarHBondContact O-N 3.32Å; V612-Y614 VanDerWaalsContact O-N 3.16Å |
| 615 | I | 94 | Very high | 84.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -97.2 | 120.4 | -168.9 | -54.6 | 178.1 | 0 | 0 | 0 | 109.9 | F328 A330 A333 I334 S483 L571 R575 L577 I610 V612 | F328-I615 HydrophobicContact CE1-CD1 4.36Å; F328-I615 HydrophobicContact CZ-CD1 3.97Å; A330-I615 HydrophobicContact CB-CD1 4.16Å; A330-I615 HydrophobicContact CB-CG2 4.39Å; A333-I615 HydrophobicContact CB-CD1 3.86Å; I334-I615 HydrophobicContact CD1-CG2 4.49Å; I334-I615 HydrophobicContact CG1-CD1 4.26Å; S483-I615 VanDerWaalsContact CB-O 3.26Å; S483-I615 WeakPolarHBondContact CB-O 3.25Å; S483-I615 PolarHBondContact N-O 2.9Å; S483-I615 WeakPolarHBondContact OG-CG2 3.33Å; S483-I615 PolarHBondContact OG-O 3.26Å; L571-I615 HydrophobicContact CD1-CG1 4.21Å; L571-I615 HydrophobicContact CD1-CG2 4.2Å; R575-I615 HydrophobicContact CB-CG2 3.87Å; R575-I615 HydrophobicContact CG-CG2 4.11Å; L577-I615 HydrophobicContact CD2-CG1 4.39Å; I610-I615 HydrophobicContact CG2-CG1 4.41Å; V612-I615 PolarHBondContact O-N 3.29Å; V612-I615 VanDerWaalsContact O-N 3.17Å | ||
| 616 | W | 95.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.8 | 179.9 | -58.5 | 87.7 | 0 | 0 | 0 | 110.3 | F480 L481 L489 R575 V576 I578 V592 V600 | F480-W616 HydrophobicContact CB-CB 4.49Å; F480-W616 HydrophobicContact CB-CD2 4.43Å; F480-W616 HydrophobicContact CB-CE3 3.81Å; F480-W616 HydrophobicContact CB-CZ3 4.49Å; F480-W616 HydrophobicContact CD1-CB 4.25Å; L481-W616 CarbonylContact O-C 3.49Å; L481-W616 WeakPolarHBondContact O-CA 3.5Å; L489-W616 HydrophobicContact CB-CE3 4.49Å; L489-W616 HydrophobicContact CB-CH2 4.5Å; L489-W616 HydrophobicContact CB-CZ3 3.87Å; L489-W616 HydrophobicContact CD1-CH2 3.9Å; L489-W616 HydrophobicContact CD1-CZ3 4.13Å; L489-W616 HydrophobicContact CD2-CH2 4.49Å; L489-W616 HydrophobicContact CD2-CZ3 4.35Å; L489-W616 HydrophobicContact CG-CZ3 4.37Å; R575-W616 CarbonylContact C-O 3.57Å; R575-W616 VanDerWaalsContact CA-O 3.23Å; R575-W616 WeakPolarHBondContact CA-O 3.31Å; V576-W616 HydrophobicContact CG2-CB 4.12Å; V576-W616 PolarHBondContact N-O 2.89Å; V576-W616 PolarHBondContact O-N 3.3Å; I578-W616 HydrophobicContact CD1-CB 4.19Å; I578-W616 HydrophobicContact CD1-CD2 4.12Å; I578-W616 HydrophobicContact CD1-CG 3.72Å; I578-W616 HydrophobicContact CG1-CG 4.19Å; V592-W616 HydrophobicContact CG1-CZ2 3.72Å; V592-W616 PolarHBondContact O-NE1 2.9Å; V600-W616 HydrophobicContact CG1-CH2 4.29Å; V600-W616 HydrophobicContact CG1-CZ2 4.23Å; V600-W616 HydrophobicContact CG2-CH2 3.86Å; V600-W616 HydrophobicContact CG2-CZ2 4.47Å |
| 617 | E | 94.3 | Very high | 86.5 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 142.5 | 170.9 | 176.5 | -176.6 | 161.4 | 0 | 0 | 110.5 | H138 H282 F480 L481 S574 R575 | H138-E617 WeakPolarHBondContact CB-OE1 3.29Å; H282-E617 IonicContact CE1-OE1 2.66Å; H282-E617 PolarHBondContact CE1-OE1 3.31Å; H282-E617 IonicContact ND1-OE1 2.67Å; F480-E617 WeakPolarHBondContact CA-O 3.26Å; L481-E617 HydrophobicContact CB-CB 4.13Å; L481-E617 PolarHBondContact N-O 3.28Å; L481-E617 PolarHBondContact O-N 3.01Å; S574-E617 CarbonylContact O-C 3.52Å; S574-E617 WeakPolarHBondContact O-CA 3.43Å; R575-E617 HydrophobicContact CG-CB 4.44Å |
| 618 | I | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -140.1 | 0 | -170.8 | 60.1 | 156.8 | 0 | 0 | 0 | 115.6 | H138 L285 R475 I478 F480 F570 S574 V576 | H138-I618 PolarHBondContact CE1-OXT 2.75Å; L285-I618 HydrophobicContact CD2-CD1 3.98Å; R475-I618 PolarHBondContact NH2-OXT 3.25Å; I478-I618 HydrophobicContact CD1-CB 3.77Å; I478-I618 HydrophobicContact CD1-CD1 4.08Å; I478-I618 HydrophobicContact CD1-CG2 3.7Å; I478-I618 HydrophobicContact CG1-CB 3.97Å; I478-I618 HydrophobicContact CG1-CG2 3.98Å; F480-I618 HydrophobicContact CD1-CG2 3.36Å; F480-I618 HydrophobicContact CE1-CG2 3.55Å; F480-I618 HydrophobicContact CG-CG2 4.4Å; F570-I618 HydrophobicContact CE1-CD1 4.24Å; S574-I618 WeakPolarHBondContact CB-O 3.45Å; S574-I618 VanDerWaalsContact O-CG1 3.28Å; S574-I618 WeakPolarHBondContact O-CG1 3.21Å; S574-I618 PolarHBondContact O-N 3.05Å; V576-I618 HydrophobicContact CG1-CD1 3.48Å; V576-I618 VanDerWaalsContact CG1-CD1 3.48Å; V576-I618 HydrophobicContact CG1-CG1 4Å; V576-I618 HydrophobicContact CG2-CD1 4.41Å; V576-I618 HydrophobicContact CG2-CG1 4.43Å; V576-I618 HydrophobicContact CG2-CG2 3.74Å |
Retrieved 618 of 618 residues in 367.6 ms
(Link to these results)