| 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 | 31.5 | Very low | 32.3 | Very low | 235 Ų | 235 | 137.7 Ų | 137.7 | 100% | 1.158 | 83% | 0.825 | S | S | * | * | 0 | 94.2 | 0 | -169.5 | 175.6 | -101.3 | 0 | 0 | 106.2 | |||||
| 2 | V | 26.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 87% | 0.873 | 81% | 0.806 | S | S | * | * | trans | -101.8 | 113.3 | -177 | 178.6 | 0 | 0 | 0 | 0 | 106.2 | S4 | V2-S4 PolarHBondContact O-N 3.41Š| ||
| 3 | C | 24.8 | Very low | 35.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 109.9 | 174.3 | -69 | 0 | 0 | 0 | 0 | 108.7 | Q5 | C3-Q5 PolarHBondContact O-N 3.39Š| ||
| 4 | S | 30.6 | Very low | 37.1 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -65.7 | 113 | 161 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | V2 | V2-S4 PolarHBondContact O-N 3.41Š| ||
| 5 | Q | 30.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -87.9 | 101.1 | 159.4 | -73.2 | -168.8 | -1.1 | 0 | 0 | 107.7 | C3 S7 | C3-Q5 PolarHBondContact O-N 3.39Å; Q5-S7 PolarHBondContact O-N 2.92Å; Q5-S7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | N | 31.6 | Very low | 40.3 | Very low | 164 Ų | 164 | 114.1 Ų | 114.1 | 88% | 0.877 | 68% | 0.68 | S | S | * | * | trans | -63.2 | 102.3 | 156.8 | -94.6 | -7.3 | 0 | 0 | 0 | 107.4 | ||||
| 7 | S | 29.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.1 | 160 | 44 | 0 | 0 | 0 | 0 | 108.7 | Q5 | Q5-S7 PolarHBondContact O-N 2.92Å; Q5-S7 VanDerWaalsContact O-N 3.14Å |
| 8 | A | 26.8 | Very low | 45.5 | Very low | 89 Ų | 89 | 103.9 Ų | 103.9 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 9 | P | 36.2 | Very low | 48.1 | Very low | 126 Ų | 126 | 98.5 Ų | 98.5 | 82% | 0.818 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138.5 | 178.9 | 26.8 | -33.8 | 0 | 0 | 0 | 110.7 | G11 | P9-G11 PolarHBondContact O-N 3.35Š|
| 10 | E | 41.8 | Very low | 50.5 | Low | 178 Ų | 178 | 93.7 Ų | 93.7 | 83% | 0.832 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 133.4 | 175.5 | -75.1 | -179.8 | 142.9 | 0 | 0 | 111.3 | ||
| 11 | G | 45.4 | Very low | 52.8 | Low | 60 Ų | 60 | 89.2 Ų | 89.2 | 62% | 0.619 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 135.7 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P9 L13 | P9-G11 PolarHBondContact O-N 3.35Å; G11-L13 PolarHBondContact O-N 3.34Å |
| 12 | V | 52 | Low | 56 | Low | 98 Ų | 98 | 78 Ų | 78 | 59% | 0.594 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 128.1 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | N14 S50 | V12-N14 WeakPolarHBondContact CG1-OD1 3.46Å; V12-N14 PolarHBondContact O-N 3.11Å; V12-S50 WeakPolarHBondContact CG1-OG 3.13Å |
| 13 | L | 58.9 | Low | 59.4 | Low | 46 Ų | 46 | 71.1 Ų | 71.1 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 93 | 179.9 | -66.4 | 166.8 | 0 | 0 | 0 | 111.2 | G11 C15 P48 F49 S50 I197 | G11-L13 PolarHBondContact O-N 3.34Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.95Å; L13-P48 VanDerWaalsContact CB-O 3.28Å; L13-P48 WeakPolarHBondContact CB-O 3.47Å; L13-P48 HydrophobicContact CD1-CB 3.82Å; L13-P48 HydrophobicContact CG-CB 4.17Å; L13-P48 PolarHBondContact N-O 3.4Å; L13-F49 HydrophobicContact CD1-CD1 4.47Å; L13-S50 PolarHBondContact O-N 2.75Å; L13-I197 HydrophobicContact CD1-CD1 3.65Å; L13-I197 HydrophobicContact CD2-CD1 4.47Å |
| 14 | N | 53.9 | Low | 62.9 | Low | 109 Ų | 109 | 65.8 Ų | 65.8 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.2 | 177.2 | -70.6 | -12.6 | 0 | 0 | 0 | 114.7 | V12 S50 | V12-N14 WeakPolarHBondContact CG1-OD1 3.46Å; V12-N14 PolarHBondContact O-N 3.11Å; N14-S50 WeakPolarHBondContact OD1-CB 3.42Å; N14-S50 PolarHBondContact OD1-OG 3.05Å |
| 15 | C | 56.7 | Low | 66 | Low | 56 Ų | 56 | 60.6 Ų | 60.6 | 38% | 0.378 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 2.9 | -169.5 | 71 | 0 | 0 | 0 | 0 | 115.2 | L13 K201 R204 | L13-C15 VanDerWaalsContact C-N 3.33Å; L13-C15 PolarHBondContact O-N 2.95Å; C15-K201 VanDerWaalsContact SG-CE 3.52Å; C15-R204 PolarHBondContact O-NH2 3.1Å |
| 16 | C | 69 | Low | 69.1 | Low | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | trans | -119.7 | 122.5 | -169.6 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | F49 Q55 V56 I200 | C16-F49 HydrophobicContact CB-CD1 4.42Å; C16-F49 HydrophobicContact CB-CE1 4.35Å; C16-Q55 CarbonylContact O-C 3.52Å; C16-Q55 WeakPolarHBondContact O-CA 3.47Å; C16-V56 HydrophobicContact CB-CG2 3.63Å; C16-V56 WeakPolarHBondContact O-CG2 3.49Å; C16-V56 PolarHBondContact O-N 2.95Å; C16-I200 HydrophobicContact CB-CG2 3.89Å | ||
| 17 | E | 84.4 | Confident | 72 | Confident | 46 Ų | 46 | 44 Ų | 44 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | trans | -125.3 | 112.8 | 172.6 | -177.5 | -177.4 | -150.9 | 0 | 0 | 109 | D54 R119 L122 I200 N278 | E17-D54 WeakPolarHBondContact OE1-CA 3.47Å; E17-R119 IonicContact OE1-NH1 2.91Å; E17-L122 HydrophobicContact CG-CD1 3.75Å; E17-L122 HydrophobicContact CG-CD2 4Å; E17-I200 VanDerWaalsContact O-CG2 3.31Å; E17-I200 WeakPolarHBondContact O-CG2 3.46Å; E17-N278 PolarHBondContact OE2-ND2 2.89Å | ||
| 18 | G | 89.4 | Confident | 75 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 R57 R119 P123 | G18-V56 VanDerWaalsContact O-CA 3.3Å; G18-V56 WeakPolarHBondContact O-CA 3.42Å; G18-R57 PolarHBondContact O-N 3.37Å; G18-R119 PolarHBondContact O-NH2 2.94Å; G18-P123 WeakPolarHBondContact CA-O 3.14Å |
| 19 | D | 94.8 | Very high | 78 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.2 | -177.4 | -64.5 | -32 | 0 | 0 | 0 | 110.6 | R57 F73 A118 R119 P123 R124 V125 | D19-R57 WeakPolarHBondContact CA-O 3.25Å; D19-R57 WeakPolarHBondContact OD1-CB 3.26Å; D19-F73 HydrophobicContact CB-CD1 4Å; D19-F73 HydrophobicContact CB-CD2 4.24Å; D19-F73 HydrophobicContact CB-CE1 3.72Å; D19-F73 HydrophobicContact CB-CE2 3.93Å; D19-F73 HydrophobicContact CB-CG 4.27Å; D19-F73 HydrophobicContact CB-CZ 3.67Å; D19-A118 HydrophobicContact CB-CB 4.39Å; D19-A118 WeakPolarHBondContact OD2-CA 3.38Å; D19-R119 IonicContact OD1-CZ 3.1Å; D19-R119 IonicContact OD1-NE 3.99Å; D19-R119 PolarHBondContact OD1-NE 3.19Å; D19-R119 IonicContact OD1-NH2 3.57Å; D19-R119 PolarHBondContact OD1-NH2 2.96Å; D19-R119 WeakPolarHBondContact OD2-CB 3.23Å; D19-R119 PolarHBondContact OD2-N 2.89Å; D19-R119 IonicContact OD2-NE 2.64Å; D19-P123 PolarHBondContact N-O 2.77Å; D19-R124 HydrophobicContact CB-CG 4.42Å; D19-R124 CarbonylContact O-C 3.57Å; D19-R124 WeakPolarHBondContact O-CA 3.41Å; D19-V125 PolarHBondContact O-N 2.8Å |
| 20 | V | 97 | Very high | 80.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 107.9 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | F22 V56 R57 V58 G59 V125 V127 I196 I200 | V20-F22 HydrophobicContact CB-CE2 4.41Å; V20-F22 HydrophobicContact CG1-CD2 4.4Å; V20-F22 HydrophobicContact CG1-CE1 4.46Å; V20-F22 HydrophobicContact CG1-CE2 3.7Å; V20-F22 HydrophobicContact CG1-CZ 3.75Å; V20-V56 HydrophobicContact CG2-CG1 3.99Å; V20-R57 PolarHBondContact N-O 3.47Å; V20-V58 WeakPolarHBondContact O-CA 3.31Å; V20-G59 PolarHBondContact O-N 2.81Å; V20-V125 CarbonylContact C-O 3.6Å; V20-V125 WeakPolarHBondContact CA-O 3.34Å; V20-V125 HydrophobicContact CG1-CB 4.34Å; V20-V125 HydrophobicContact CG2-CB 4.32Å; V20-V127 HydrophobicContact CG1-CG2 4.04Å; V20-I196 HydrophobicContact CG2-CG2 3.97Å; V20-I200 HydrophobicContact CG2-CD1 3.92Å |
| 21 | L | 98.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.1 | 174.9 | 179.7 | 57.1 | 0 | 0 | 0 | 109.8 | L61 F73 A105 V109 L110 V125 L126 V127 | L21-L61 HydrophobicContact CD1-CB 4.18Å; L21-F73 HydrophobicContact CB-CE1 4.3Å; L21-F73 HydrophobicContact CB-CZ 3.94Å; L21-A105 HydrophobicContact CD2-CB 3.72Å; L21-V109 HydrophobicContact CD1-CG1 3.89Å; L21-V109 HydrophobicContact CD2-CB 4.07Å; L21-V109 HydrophobicContact CD2-CG1 3.9Å; L21-V109 HydrophobicContact CG-CG1 4.44Å; L21-L110 HydrophobicContact CB-CD2 3.98Å; L21-L110 HydrophobicContact CD2-CD1 3.96Å; L21-L110 HydrophobicContact CD2-CD2 4.16Å; L21-L110 HydrophobicContact CD2-CG 3.77Å; L21-V125 PolarHBondContact N-O 3.45Å; L21-L126 HydrophobicContact CB-CD1 4.07Å; L21-L126 HydrophobicContact CD2-CD1 3.93Å; L21-L126 HydrophobicContact CG-CD1 3.85Å; L21-L126 CarbonylContact O-C 3.45Å; L21-L126 WeakPolarHBondContact O-CA 3.37Å; L21-V127 PolarHBondContact O-N 2.82Å |
| 22 | F | 98.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.3 | 168.4 | -66.5 | -83 | 0 | 0 | 0 | 110.1 | V20 L42 L45 L46 V58 G59 L60 L61 V127 L129 | V20-F22 HydrophobicContact CB-CE2 4.41Å; V20-F22 HydrophobicContact CG1-CD2 4.4Å; V20-F22 HydrophobicContact CG1-CE1 4.46Å; V20-F22 HydrophobicContact CG1-CE2 3.7Å; V20-F22 HydrophobicContact CG1-CZ 3.75Å; F22-L42 HydrophobicContact CB-CD1 4.26Å; F22-L42 HydrophobicContact CD1-CD1 4.31Å; F22-L42 HydrophobicContact CD1-CD2 3.24Å; F22-L42 HydrophobicContact CD1-CG 4.41Å; F22-L42 HydrophobicContact CE1-CD2 3.37Å; F22-L42 HydrophobicContact CG-CD1 4.26Å; F22-L42 HydrophobicContact CG-CD2 3.94Å; F22-L42 HydrophobicContact CZ-CD2 4.17Å; F22-L45 HydrophobicContact CE1-CD2 3.7Å; F22-L45 HydrophobicContact CZ-CD2 3.87Å; F22-L46 HydrophobicContact CD2-CD1 4.36Å; F22-L46 HydrophobicContact CE2-CD1 3.69Å; F22-L46 HydrophobicContact CE2-CD2 3.8Å; F22-L46 HydrophobicContact CE2-CG 4.15Å; F22-L46 HydrophobicContact CZ-CD1 4.09Å; F22-L46 HydrophobicContact CZ-CD2 3.85Å; F22-L46 HydrophobicContact CZ-CG 4.16Å; F22-V58 HydrophobicContact CD2-CG1 3.63Å; F22-V58 HydrophobicContact CE2-CG1 3.64Å; F22-G59 PolarHBondContact N-O 3.05Å; F22-L60 HydrophobicContact CB-CG 4.3Å; F22-L60 WeakPolarHBondContact O-CA 3.38Å; F22-L61 PolarHBondContact O-N 2.83Å; F22-V127 CarbonylContact C-O 3.46Å; F22-V127 WeakPolarHBondContact CA-O 3.42Å; F22-V127 HydrophobicContact CD1-CB 3.66Å; F22-V127 HydrophobicContact CD1-CG1 4.04Å; F22-V127 HydrophobicContact CD1-CG2 4.31Å; F22-V127 HydrophobicContact CE1-CB 3.71Å; F22-V127 HydrophobicContact CE1-CG1 3.94Å; F22-V127 HydrophobicContact CE1-CG2 3.92Å; F22-V127 HydrophobicContact CZ-CG2 4.5Å; F22-L129 HydrophobicContact CD1-CD1 3.89Å |
| 23 | L | 98.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 105.2 | 168 | -175.3 | 65.7 | 0 | 0 | 0 | 107.5 | L61 V63 T98 A101 L102 L126 V127 W128 L129 | L23-L61 WeakPolarHBondContact CA-O 3.25Å; L23-L61 HydrophobicContact CD1-CB 4.24Å; L23-L61 HydrophobicContact CD1-CD2 3.96Å; L23-L61 HydrophobicContact CD1-CG 3.92Å; L23-V63 HydrophobicContact CD1-CG2 3.56Å; L23-V63 HydrophobicContact CD2-CG2 4.43Å; L23-V63 HydrophobicContact CG-CG2 3.83Å; L23-T98 HydrophobicContact CD2-CG2 4.2Å; L23-A101 HydrophobicContact CD1-CB 3.78Å; L23-L102 HydrophobicContact CD2-CD2 3.67Å; L23-L102 HydrophobicContact CD2-CG 4.26Å; L23-L126 HydrophobicContact CB-CD1 3.93Å; L23-V127 PolarHBondContact N-O 2.88Å; L23-W128 HydrophobicContact CB-CB 4.32Å; L23-W128 HydrophobicContact CB-CG 4.4Å; L23-W128 HydrophobicContact CD2-CB 4.42Å; L23-W128 HydrophobicContact CD2-CD2 4.41Å; L23-W128 HydrophobicContact CD2-CG 3.93Å; L23-W128 HydrophobicContact CG-CG 4.36Å; L23-W128 WeakPolarHBondContact O-CA 3.4Å; L23-L129 PolarHBondContact O-N 3.15Å |
| 24 | L | 98 | Very high | 89.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.8 | -174.8 | -180 | 64.3 | 0 | 0 | 0 | 110.2 | S26 M38 L39 L60 L61 Q62 V63 L129 | L24-S26 PolarHBondContact O-N 3.37Å; L24-M38 HydrophobicContact CD1-CB 3.77Å; L24-M38 HydrophobicContact CD1-CE 3.96Å; L24-M38 HydrophobicContact CD1-CG 4.4Å; L24-M38 HydrophobicContact CD1-SD 3.79Å; L24-L39 HydrophobicContact CD2-CD2 3.79Å; L24-L39 HydrophobicContact CD2-CG 4.23Å; L24-L60 HydrophobicContact CB-CD2 4.34Å; L24-L60 HydrophobicContact CD2-CD2 4.41Å; L24-L61 PolarHBondContact N-O 3.15Å; L24-Q62 HydrophobicContact CD2-CG 4.47Å; L24-Q62 CarbonylContact O-C 3.53Å; L24-Q62 WeakPolarHBondContact O-CA 3.43Å; L24-V63 PolarHBondContact O-N 2.92Å; L24-L129 HydrophobicContact CD1-CB 4.09Å; L24-L129 HydrophobicContact CD1-CD2 4.42Å |
| 25 | D | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 117.5 | 171.5 | -157.1 | -24.4 | 0 | 0 | 0 | 111.1 | S27 V30 M38 L129 T130 | D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.36Å; D25-S27 PolarHBondContact OD1-N 2.88Å; D25-S27 VanDerWaalsContact OD1-N 3.11Å; D25-S27 PolarHBondContact OD1-OG 2.84Å; D25-V30 HydrophobicContact CB-CG2 4.21Å; D25-M38 VanDerWaalsContact O-CE 3.3Å; D25-M38 WeakPolarHBondContact O-CE 3.05Å; D25-L129 VanDerWaalsContact CB-O 3.24Å; D25-L129 WeakPolarHBondContact CB-O 3.34Å; D25-L129 PolarHBondContact N-O 3.48Å; D25-T130 PolarHBondContact OD2-OG1 3.18Å |
| 26 | S | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -129.7 | 23.6 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 111 | L24 H35 Q62 V63 R93 | L24-S26 PolarHBondContact O-N 3.37Å; S26-H35 PolarHBondContact OG-CD2 2.87Å; S26-H35 PolarHBondContact OG-NE2 2.89Å; S26-Q62 PolarHBondContact OG-OE1 3.49Å; S26-V63 CarbonylContact C-O 3.59Å; S26-V63 VanDerWaalsContact CA-O 3.3Å; S26-V63 WeakPolarHBondContact CA-O 3.16Å; S26-V63 WeakPolarHBondContact CB-O 3.1Å; S26-V63 PolarHBondContact N-O 3.13Å; S26-R93 WeakPolarHBondContact O-CA 3.42Å; S26-R93 PolarHBondContact O-N 2.94Å | ||
| 27 | S | 93.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -69.2 | 175.6 | 177.2 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | D25 S29 V30 V63 T96 | D25-S27 VanDerWaalsContact OD1-CB 3.26Å; D25-S27 WeakPolarHBondContact OD1-CB 3.36Å; D25-S27 PolarHBondContact OD1-N 2.88Å; D25-S27 VanDerWaalsContact OD1-N 3.11Å; D25-S27 PolarHBondContact OD1-OG 2.84Å; S27-S29 VanDerWaalsContact C-N 3.26Å; S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 PolarHBondContact OG-OG 2.89Å; S27-V30 PolarHBondContact O-N 2.84Å; S27-V63 PolarHBondContact N-O 2.83Å; S27-T96 WeakPolarHBondContact CB-OG1 3.06Å; S27-T96 PolarHBondContact OG-OG1 3.11Å; S27-T96 VanDerWaalsContact OG-OG1 3.06Å |
| 28 | G | 90.9 | Very high | 94.9 | Very high | 51 Ų | 51 | 26.4 Ų | 26.4 | 53% | 0.526 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | G94 | G28-G94 VanDerWaalsContact CA-O 3.32Å; G28-G94 WeakPolarHBondContact CA-O 3.19Å; G28-G94 PolarHBondContact N-O 3.05Å |
| 29 | S | 90.8 | Very high | 95.3 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -25.3 | 171.8 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | S27 D131 | S27-S29 VanDerWaalsContact C-N 3.26Å; S27-S29 PolarHBondContact O-N 2.85Å; S27-S29 PolarHBondContact OG-OG 2.89Å; S29-D131 WeakPolarHBondContact CB-OD2 3.39Å; S29-D131 PolarHBondContact OG-OD2 3.47Å |
| 30 | V | 92.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.1 | 119 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | D25 S27 E34 H35 M38 D131 | D25-V30 HydrophobicContact CB-CG2 4.21Å; S27-V30 PolarHBondContact O-N 2.84Å; V30-E34 HydrophobicContact CG1-CB 3.9Å; V30-H35 HydrophobicContact CG1-CB 4.01Å; V30-M38 HydrophobicContact CG1-CE 3.5Å; V30-M38 VanDerWaalsContact CG1-CE 3.5Å; V30-D131 HydrophobicContact CG2-CB 4.19Å |
| 31 | T | 93.4 | Very high | 95.4 | Very high | 72 Ų | 72 | 29.5 Ų | 29.5 | 44% | 0.442 | 18% | 0.176 | S | C | . | . | trans | -69.1 | 158 | 176 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | Y33 E34 H35 | T31-Y33 PolarHBondContact O-N 2.79Å; T31-Y33 VanDerWaalsContact O-N 3.14Å; T31-E34 VanDerWaalsContact CB-OE2 3.28Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 VanDerWaalsContact CG2-OE2 3.3Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.31Å; T31-E34 PolarHBondContact N-OE2 3.11Å; T31-E34 PolarHBondContact O-N 2.81Å; T31-E34 WeakPolarHBondContact OG1-CG 3.49Å; T31-E34 PolarHBondContact OG1-N 2.81Å; T31-E34 VanDerWaalsContact OG1-N 3.13Å; T31-E34 PolarHBondContact OG1-OE2 2.93Å; T31-H35 WeakPolarHBondContact O-CB 3.17Å; T31-H35 PolarHBondContact O-N 3.25Å | ||
| 32 | S | 93.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 29.5 Ų | 29.5 | 47% | 0.469 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58 | -28.6 | 173.6 | -53.5 | 0 | 0 | 0 | 0 | 112.4 | A36 R93 | S32-A36 WeakPolarHBondContact O-CB 3.32Å; S32-A36 PolarHBondContact O-N 2.03Å; S32-R93 PolarHBondContact OG-NH2 3.25Å |
| 33 | Y | 94.4 | Very high | 95.3 | Very high | 127 Ų | 127 | 30.7 Ų | 30.7 | 50% | 0.498 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70 | -52.4 | 176.5 | 178.6 | -102.5 | 0 | 0 | 0 | 111.2 | T31 H35 A36 R37 I182 D183 | T31-Y33 PolarHBondContact O-N 2.79Å; T31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-H35 VanDerWaalsContact C-N 3.32Å; Y33-H35 PolarHBondContact O-N 2.91Å; Y33-A36 PolarHBondContact O-N 2.85Å; Y33-A36 VanDerWaalsContact O-N 3.13Å; Y33-R37 HydrophobicContact CD1-CG 4.27Å; Y33-R37 HydrophobicContact CE1-CG 3.87Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 WeakPolarHBondContact O-CG 3.23Å; Y33-R37 PolarHBondContact O-N 2.93Å; Y33-I182 HydrophobicContact CE1-CG2 4.3Å; Y33-D183 WeakPolarHBondContact CE1-OD1 3.49Å; Y33-D183 PolarHBondContact OH-OD1 2.94Å |
| 34 | E | 94.1 | Very high | 95.2 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 178.3 | -70.4 | 158.3 | 135.3 | 0 | 0 | 111.6 | V30 T31 A36 R37 M38 I182 | V30-E34 HydrophobicContact CG1-CB 3.9Å; T31-E34 VanDerWaalsContact CB-OE2 3.28Å; T31-E34 WeakPolarHBondContact CB-OE2 3.48Å; T31-E34 VanDerWaalsContact CG2-OE2 3.3Å; T31-E34 WeakPolarHBondContact CG2-OE2 3.31Å; T31-E34 PolarHBondContact N-OE2 3.11Å; T31-E34 PolarHBondContact O-N 2.81Å; T31-E34 WeakPolarHBondContact OG1-CG 3.49Å; T31-E34 PolarHBondContact OG1-N 2.81Å; T31-E34 VanDerWaalsContact OG1-N 3.13Å; T31-E34 PolarHBondContact OG1-OE2 2.93Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.95Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-M38 WeakPolarHBondContact O-CG 3.37Å; E34-M38 PolarHBondContact O-N 2.99Å; E34-I182 HydrophobicContact CB-CD1 3.85Å; E34-I182 HydrophobicContact CB-CG1 3.97Å; E34-I182 HydrophobicContact CG-CB 4.23Å; E34-I182 HydrophobicContact CG-CD1 4.07Å; E34-I182 HydrophobicContact CG-CG1 3.75Å; E34-I182 HydrophobicContact CG-CG2 4.28Å |
| 35 | H | 95.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.3 | -179.6 | -89.8 | 0 | 0 | 0 | 112.4 | S26 V30 T31 Y33 M38 L39 Q62 P91 | S26-H35 PolarHBondContact OG-CD2 2.87Å; S26-H35 PolarHBondContact OG-NE2 2.89Å; V30-H35 HydrophobicContact CG1-CB 4.01Å; T31-H35 WeakPolarHBondContact O-CB 3.17Å; T31-H35 PolarHBondContact O-N 3.25Å; Y33-H35 VanDerWaalsContact C-N 3.32Å; Y33-H35 PolarHBondContact O-N 2.91Å; H35-M38 PolarHBondContact O-N 3.33Å; H35-L39 WeakPolarHBondContact CE1-CD1 3.43Å; H35-L39 PolarHBondContact O-N 3.45Å; H35-L39 VanDerWaalsContact O-N 3.09Å; H35-Q62 PolarHBondContact NE2-OE1 3.09Å; H35-P91 HydrophobicContact CB-CB 4.43Å |
| 36 | A | 95.9 | Very high | 95.1 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 45% | 0.446 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S32 Y33 E34 L39 S40 | S32-A36 WeakPolarHBondContact O-CB 3.32Å; S32-A36 PolarHBondContact O-N 2.03Å; Y33-A36 PolarHBondContact O-N 2.85Å; Y33-A36 VanDerWaalsContact O-N 3.13Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.95Å; A36-L39 PolarHBondContact O-N 2.81Å; A36-S40 PolarHBondContact O-N 3.49Å |
| 37 | R | 96.3 | Very high | 94.9 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.2 | -70.4 | -64.9 | -65.1 | 166.7 | -4.8 | 112 | Y33 E34 L39 S40 F41 I182 D183 | Y33-R37 HydrophobicContact CD1-CG 4.27Å; Y33-R37 HydrophobicContact CE1-CG 3.87Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 WeakPolarHBondContact O-CG 3.23Å; Y33-R37 PolarHBondContact O-N 2.93Å; E34-R37 PolarHBondContact O-N 2.96Å; E34-R37 VanDerWaalsContact O-N 3.17Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.16Å; R37-S40 WeakPolarHBondContact O-CB 3.34Å; R37-S40 PolarHBondContact O-N 2.96Å; R37-F41 WeakPolarHBondContact O-CB 2.93Å; R37-F41 PolarHBondContact O-N 3.02Å; R37-I182 HydrophobicContact CB-CD1 3.89Å; R37-I182 HydrophobicContact CB-CG1 3.64Å; R37-I182 HydrophobicContact CG-CG1 4.06Å; R37-D183 IonicContact NE-OD1 3.93Å; R37-D183 PolarHBondContact NH2-O 3.01Å |
| 38 | M | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.7 | -72.1 | -171 | -72.8 | 0 | 0 | 112 | L24 D25 V30 E34 H35 F41 L42 L129 I182 M185 | L24-M38 HydrophobicContact CD1-CB 3.77Å; L24-M38 HydrophobicContact CD1-CE 3.96Å; L24-M38 HydrophobicContact CD1-CG 4.4Å; L24-M38 HydrophobicContact CD1-SD 3.79Å; D25-M38 VanDerWaalsContact O-CE 3.3Å; D25-M38 WeakPolarHBondContact O-CE 3.05Å; V30-M38 HydrophobicContact CG1-CE 3.5Å; V30-M38 VanDerWaalsContact CG1-CE 3.5Å; E34-M38 WeakPolarHBondContact O-CG 3.37Å; E34-M38 PolarHBondContact O-N 2.99Å; H35-M38 PolarHBondContact O-N 3.33Å; M38-F41 WeakPolarHBondContact O-CB 3.44Å; M38-F41 PolarHBondContact O-N 3.49Å; M38-L42 WeakPolarHBondContact O-CG 3.14Å; M38-L42 PolarHBondContact O-N 2.85Å; M38-L129 HydrophobicContact CB-CD2 4.19Å; M38-L129 HydrophobicContact CG-CD2 4.36Å; M38-L129 HydrophobicContact SD-CB 3.98Å; M38-I182 HydrophobicContact CG-CD1 3.94Å; M38-M185 HydrophobicContact CG-CE 4.27Å; M38-M185 HydrophobicContact CG-SD 4.05Å |
| 39 | L | 97.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 175.4 | -73.5 | 173.1 | 0 | 0 | 0 | 112.8 | L24 H35 A36 R37 F41 L42 S43 L60 L86 I89 | L24-L39 HydrophobicContact CD2-CD2 3.79Å; L24-L39 HydrophobicContact CD2-CG 4.23Å; H35-L39 WeakPolarHBondContact CE1-CD1 3.43Å; H35-L39 PolarHBondContact O-N 3.45Å; H35-L39 VanDerWaalsContact O-N 3.09Å; A36-L39 PolarHBondContact O-N 2.81Å; R37-L39 VanDerWaalsContact C-N 3.35Å; R37-L39 PolarHBondContact O-N 3.16Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-L42 PolarHBondContact O-N 2.86Å; L39-S43 WeakPolarHBondContact O-CB 3.03Å; L39-S43 PolarHBondContact O-N 2.92Å; L39-L60 HydrophobicContact CD2-CD1 4.4Å; L39-L86 HydrophobicContact CD2-CD2 4.17Å; L39-I89 HydrophobicContact CD1-CB 3.94Å; L39-I89 HydrophobicContact CD1-CG2 4.25Å; L39-I89 HydrophobicContact CD2-CB 4.24Å; L39-I89 HydrophobicContact CD2-CD1 3.92Å; L39-I89 HydrophobicContact CD2-CG2 4.44Å |
| 40 | S | 96.4 | Very high | 94 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 173.7 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | A36 R37 S43 E44 | A36-S40 PolarHBondContact O-N 3.49Å; R37-S40 WeakPolarHBondContact O-CB 3.34Å; R37-S40 PolarHBondContact O-N 2.96Å; S40-S43 VanDerWaalsContact O-CB 3.31Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 2.83Å; S40-E44 PolarHBondContact O-N 2.85Å |
| 41 | F | 97.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.022 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.3 | 169.3 | -101.1 | 0 | 0 | 0 | 112 | R37 M38 L39 S43 E44 L45 L129 M185 I188 T189 L192 | R37-F41 WeakPolarHBondContact O-CB 2.93Å; R37-F41 PolarHBondContact O-N 3.02Å; M38-F41 WeakPolarHBondContact O-CB 3.44Å; M38-F41 PolarHBondContact O-N 3.49Å; L39-F41 VanDerWaalsContact C-N 3.34Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 2.9Å; F41-E44 PolarHBondContact O-N 2.88Å; F41-L45 HydrophobicContact CE1-CD2 4.32Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.25Å; F41-L45 PolarHBondContact O-N 3.07Å; F41-L129 HydrophobicContact CD1-CD2 3.91Å; F41-L129 HydrophobicContact CE1-CD2 4.23Å; F41-M185 HydrophobicContact CB-CB 4.24Å; F41-M185 HydrophobicContact CB-CE 4.13Å; F41-M185 HydrophobicContact CB-SD 4.14Å; F41-M185 HydrophobicContact CD1-CE 3.52Å; F41-M185 HydrophobicContact CD2-CB 3.75Å; F41-M185 HydrophobicContact CD2-CE 4.37Å; F41-M185 WeakPolarHBondContact CD2-O 3.25Å; F41-M185 HydrophobicContact CE1-CE 3.95Å; F41-M185 HydrophobicContact CE2-CB 4.32Å; F41-M185 WeakPolarHBondContact CE2-O 3.17Å; F41-M185 HydrophobicContact CG-CB 4.06Å; F41-M185 HydrophobicContact CG-CE 3.74Å; F41-M185 HydrophobicContact CG-SD 4.3Å; F41-I188 HydrophobicContact CE2-CD1 4.41Å; F41-I188 HydrophobicContact CE2-CG1 3.96Å; F41-I188 HydrophobicContact CZ-CD1 4.09Å; F41-I188 HydrophobicContact CZ-CG1 4.09Å; F41-T189 WeakPolarHBondContact CD2-OG1 3.19Å; F41-T189 VanDerWaalsContact CE2-OG1 3.28Å; F41-T189 WeakPolarHBondContact CE2-OG1 2.98Å; F41-L192 HydrophobicContact CE1-CD2 3.83Å; F41-L192 HydrophobicContact CZ-CD2 3.58Å |
| 42 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 175.6 | -70.1 | -174.9 | 0 | 0 | 0 | 112 | F22 M38 L39 L45 L46 L60 L86 L129 | F22-L42 HydrophobicContact CB-CD1 4.26Å; F22-L42 HydrophobicContact CD1-CD1 4.31Å; F22-L42 HydrophobicContact CD1-CD2 3.24Å; F22-L42 HydrophobicContact CD1-CG 4.41Å; F22-L42 HydrophobicContact CE1-CD2 3.37Å; F22-L42 HydrophobicContact CG-CD1 4.26Å; F22-L42 HydrophobicContact CG-CD2 3.94Å; F22-L42 HydrophobicContact CZ-CD2 4.17Å; M38-L42 WeakPolarHBondContact O-CG 3.14Å; M38-L42 PolarHBondContact O-N 2.85Å; L39-L42 PolarHBondContact O-N 2.86Å; L42-L45 HydrophobicContact CD2-CD2 4.35Å; L42-L45 PolarHBondContact O-N 3.49Å; L42-L46 VanDerWaalsContact O-CB 3.27Å; L42-L46 WeakPolarHBondContact O-CB 3.21Å; L42-L46 WeakPolarHBondContact O-CD1 3.25Å; L42-L46 WeakPolarHBondContact O-CG 2.94Å; L42-L46 PolarHBondContact O-N 3.28Å; L42-L60 HydrophobicContact CD1-CD1 3.92Å; L42-L86 HydrophobicContact CB-CD2 4.5Å; L42-L129 HydrophobicContact CD1-CD2 4.39Å; L42-L129 HydrophobicContact CD2-CD1 3.86Å; L42-L129 HydrophobicContact CD2-CD2 3.72Å; L42-L129 HydrophobicContact CD2-CG 4.48Å; L42-L129 HydrophobicContact CG-CD2 3.94Å |
| 43 | S | 96.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.4 | -53.3 | 173.7 | 150.9 | 0 | 0 | 0 | 0 | 110.8 | L39 S40 F41 L46 L47 Q83 | L39-S43 WeakPolarHBondContact O-CB 3.03Å; L39-S43 PolarHBondContact O-N 2.92Å; S40-S43 VanDerWaalsContact O-CB 3.31Å; S40-S43 WeakPolarHBondContact O-CB 3.37Å; S40-S43 PolarHBondContact O-N 2.83Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 2.9Å; S43-L46 PolarHBondContact O-N 2.97Å; S43-L47 WeakPolarHBondContact O-CG 3.24Å; S43-L47 PolarHBondContact O-N 2.79Å; S43-Q83 VanDerWaalsContact CB-OE1 3.23Å; S43-Q83 PolarHBondContact O-NE2 2.82Å; S43-Q83 VanDerWaalsContact O-NE2 3.12Å; S43-Q83 PolarHBondContact OG-OE1 3.35Å |
| 44 | E | 96.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 40% | 0.402 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.2 | -41.4 | -179.9 | -71.5 | 176.1 | -163.6 | 0 | 0 | 113.4 | S40 F41 L46 L47 T189 R193 | S40-E44 PolarHBondContact O-N 2.85Å; F41-E44 PolarHBondContact O-N 2.88Å; E44-L46 PolarHBondContact O-N 2.78Å; E44-L47 PolarHBondContact O-N 3.14Å; E44-T189 HydrophobicContact CB-CG2 4.38Å; E44-R193 PolarHBondContact O-NH2 2.84Å |
| 45 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | 175.8 | -179 | 69.6 | 0 | 0 | 0 | 110.8 | F22 F41 L42 T189 L192 R193 I196 | F22-L45 HydrophobicContact CE1-CD2 3.7Å; F22-L45 HydrophobicContact CZ-CD2 3.87Å; F41-L45 HydrophobicContact CE1-CD2 4.32Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.25Å; F41-L45 PolarHBondContact O-N 3.07Å; L42-L45 HydrophobicContact CD2-CD2 4.35Å; L42-L45 PolarHBondContact O-N 3.49Å; L45-T189 HydrophobicContact CB-CG2 4.42Å; L45-T189 HydrophobicContact CD1-CG2 4.41Å; L45-T189 WeakPolarHBondContact CD1-O 3.22Å; L45-L192 HydrophobicContact CD1-CB 4.2Å; L45-L192 HydrophobicContact CD1-CD2 4.19Å; L45-L192 HydrophobicContact CD1-CG 4.23Å; L45-L192 HydrophobicContact CD2-CD2 3.86Å; L45-L192 HydrophobicContact CD2-CG 4.46Å; L45-R193 HydrophobicContact CD1-CB 3.81Å; L45-R193 PolarHBondContact O-NE 3.04Å; L45-I196 HydrophobicContact CD2-CD1 4.12Å |
| 46 | L | 94.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -87.6 | -15.2 | -172.7 | -66.8 | 169.1 | 0 | 0 | 0 | 114.8 | F22 L42 S43 E44 P48 F49 V58 Q79 L82 L86 | F22-L46 HydrophobicContact CD2-CD1 4.36Å; F22-L46 HydrophobicContact CE2-CD1 3.69Å; F22-L46 HydrophobicContact CE2-CD2 3.8Å; F22-L46 HydrophobicContact CE2-CG 4.15Å; F22-L46 HydrophobicContact CZ-CD1 4.09Å; F22-L46 HydrophobicContact CZ-CD2 3.85Å; F22-L46 HydrophobicContact CZ-CG 4.16Å; L42-L46 VanDerWaalsContact O-CB 3.27Å; L42-L46 WeakPolarHBondContact O-CB 3.21Å; L42-L46 WeakPolarHBondContact O-CD1 3.25Å; L42-L46 WeakPolarHBondContact O-CG 2.94Å; L42-L46 PolarHBondContact O-N 3.28Å; S43-L46 PolarHBondContact O-N 2.97Å; E44-L46 PolarHBondContact O-N 2.78Å; L46-P48 VanDerWaalsContact C-N 3.33Å; L46-F49 HydrophobicContact CD2-CD2 4.11Å; L46-F49 HydrophobicContact CD2-CE2 4.48Å; L46-F49 PolarHBondContact O-N 3.24Å; L46-V58 HydrophobicContact CD1-CG1 4.05Å; L46-V58 HydrophobicContact CD2-CG2 3.95Å; L46-Q79 PolarHBondContact O-NE2 2.88Å; L46-L82 HydrophobicContact CB-CD2 4.23Å; L46-L82 HydrophobicContact CD1-CD2 4.06Å; L46-L86 HydrophobicContact CD1-CD1 4.33Å |
| 47 | L | 91.3 | Very high | 91 | Very high | 91 Ų | 91 | 36.8 Ų | 36.8 | 48% | 0.476 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -43.8 | -179.2 | -87.5 | 172.8 | 0 | 0 | 0 | 114.7 | S43 E44 Q79 Q83 | S43-L47 WeakPolarHBondContact O-CG 3.24Å; S43-L47 PolarHBondContact O-N 2.79Å; E44-L47 PolarHBondContact O-N 3.14Å; L47-Q79 VanDerWaalsContact CA-NE2 3.29Å; L47-Q79 HydrophobicContact CD2-CG 4.3Å; L47-Q83 HydrophobicContact CD2-CG 4.34Å |
| 48 | P | 87.6 | Confident | 91 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -9.6 | -176.1 | -21.3 | 38.5 | 0 | 0 | 0 | 115 | L13 L46 R193 | L13-P48 VanDerWaalsContact CB-O 3.28Å; L13-P48 WeakPolarHBondContact CB-O 3.47Å; L13-P48 HydrophobicContact CD1-CB 3.82Å; L13-P48 HydrophobicContact CG-CB 4.17Å; L13-P48 PolarHBondContact N-O 3.4Å; L46-P48 VanDerWaalsContact C-N 3.33Å; P48-R193 VanDerWaalsContact CG-CZ 3.46Å |
| 49 | F | 85.6 | Confident | 91 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 136.9 | -177.8 | -75.2 | -80.3 | 0 | 0 | 0 | 112 | L13 C16 L46 L51 V56 R193 I196 I197 | L13-F49 HydrophobicContact CD1-CD1 4.47Å; C16-F49 HydrophobicContact CB-CD1 4.42Å; C16-F49 HydrophobicContact CB-CE1 4.35Å; L46-F49 HydrophobicContact CD2-CD2 4.11Å; L46-F49 HydrophobicContact CD2-CE2 4.48Å; L46-F49 PolarHBondContact O-N 3.24Å; F49-L51 HydrophobicContact CB-CD2 4.47Å; F49-V56 HydrophobicContact CD1-CB 4.33Å; F49-V56 HydrophobicContact CD1-CG2 3.64Å; F49-V56 HydrophobicContact CE1-CG2 4.16Å; F49-V56 HydrophobicContact CG-CG2 4.46Å; F49-R193 HydrophobicContact CE2-CG 3.78Å; F49-R193 HydrophobicContact CZ-CG 3.91Å; F49-I196 HydrophobicContact CZ-CB 4.48Å; F49-I196 HydrophobicContact CZ-CG2 3.98Å; F49-I197 HydrophobicContact CE1-CD1 4.49Å; F49-I197 HydrophobicContact CE1-CG1 3.8Å; F49-I197 HydrophobicContact CZ-CD1 4.43Å; F49-I197 HydrophobicContact CZ-CG1 3.88Å |
| 50 | S | 83.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | trans | -74.4 | 133.1 | 162 | -85.6 | 0 | 0 | 0 | 0 | 110.8 | V12 L13 N14 Q55 V56 | V12-S50 WeakPolarHBondContact CG1-OG 3.13Å; L13-S50 PolarHBondContact O-N 2.75Å; N14-S50 WeakPolarHBondContact OD1-CB 3.42Å; N14-S50 PolarHBondContact OD1-OG 3.05Å; S50-Q55 WeakPolarHBondContact O-CB 3.41Å; S50-V56 PolarHBondContact O-N 2.99Å | ||
| 51 | L | 87.9 | Confident | 91.1 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -109.3 | 140.6 | -179.4 | -55.7 | 178.7 | 0 | 0 | 0 | 110.3 | F49 V56 V58 S77 L82 | F49-L51 HydrophobicContact CB-CD2 4.47Å; L51-V56 WeakPolarHBondContact CA-O 3.4Å; L51-V56 HydrophobicContact CD2-CB 4.49Å; L51-V58 HydrophobicContact CD2-CG2 3.94Å; L51-S77 CarbonylContact C-O 3.54Å; L51-L82 HydrophobicContact CD1-CB 3.8Å; L51-L82 HydrophobicContact CD1-CD2 3.49Å; L51-L82 VanDerWaalsContact CD1-CD2 3.49Å; L51-L82 HydrophobicContact CD1-CG 4.28Å; L51-L82 HydrophobicContact CD2-CD2 4.38Å |
| 52 | G | 82.9 | Confident | 91.2 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 161.4 | -175.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D54 V56 R57 | G52-D54 VanDerWaalsContact C-N 3.34Å; G52-D54 PolarHBondContact O-N 3.49Å; G52-V56 PolarHBondContact N-O 2.88Å; G52-R57 VanDerWaalsContact O-CG 3.25Å; G52-R57 WeakPolarHBondContact O-CG 3.31Å; G52-R57 PolarHBondContact O-NE 3.02Å |
| 53 | R | 78.9 | Confident | 91.1 | Very high | 190 Ų | 190 | 30.1 Ų | 30.1 | 72% | 0.717 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -38.9 | -178.7 | -178.5 | 177 | -174.8 | -170.7 | -0.4 | 113 | R119 | R53-R119 PolarHBondContact O-NH1 3.45Š|
| 54 | D | 76.1 | Confident | 91 | Very high | 75 Ų | 75 | 28.9 Ų | 28.9 | 40% | 0.401 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 26.6 | -175.9 | -44.3 | -47.6 | 0 | 0 | 0 | 110.8 | E17 G52 N278 | E17-D54 WeakPolarHBondContact OE1-CA 3.47Å; G52-D54 VanDerWaalsContact C-N 3.34Å; G52-D54 PolarHBondContact O-N 3.49Å; D54-N278 PolarHBondContact O-ND2 2.96Å |
| 55 | Q | 84.9 | Confident | 90.9 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -135.2 | -161.2 | -177.4 | -63.6 | -66.7 | -61.2 | 0 | 0 | 109 | C16 S50 R119 | C16-Q55 CarbonylContact O-C 3.52Å; C16-Q55 WeakPolarHBondContact O-CA 3.47Å; S50-Q55 WeakPolarHBondContact O-CB 3.41Å; Q55-R119 PolarHBondContact O-NH1 3.44Å; Q55-R119 PolarHBondContact O-NH2 3.04Å |
| 56 | V | 91.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.7 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | C16 G18 V20 F49 S50 L51 G52 V58 I200 | C16-V56 HydrophobicContact CB-CG2 3.63Å; C16-V56 WeakPolarHBondContact O-CG2 3.49Å; C16-V56 PolarHBondContact O-N 2.95Å; G18-V56 VanDerWaalsContact O-CA 3.3Å; G18-V56 WeakPolarHBondContact O-CA 3.42Å; V20-V56 HydrophobicContact CG2-CG1 3.99Å; F49-V56 HydrophobicContact CD1-CB 4.33Å; F49-V56 HydrophobicContact CD1-CG2 3.64Å; F49-V56 HydrophobicContact CE1-CG2 4.16Å; F49-V56 HydrophobicContact CG-CG2 4.46Å; S50-V56 PolarHBondContact O-N 2.99Å; L51-V56 WeakPolarHBondContact CA-O 3.4Å; L51-V56 HydrophobicContact CD2-CB 4.49Å; G52-V56 PolarHBondContact N-O 2.88Å; V56-V58 HydrophobicContact CG1-CG2 4.11Å; V56-I200 HydrophobicContact CG2-CD1 4.2Å |
| 57 | R | 94.6 | Very high | 91 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.7 | 165.8 | -61.9 | 177.6 | 176.1 | -166.2 | -16.2 | 109.5 | G18 D19 V20 G52 F73 N74 | G18-R57 PolarHBondContact O-N 3.37Å; D19-R57 WeakPolarHBondContact CA-O 3.25Å; D19-R57 WeakPolarHBondContact OD1-CB 3.26Å; V20-R57 PolarHBondContact N-O 3.47Å; G52-R57 VanDerWaalsContact O-CG 3.25Å; G52-R57 WeakPolarHBondContact O-CG 3.31Å; G52-R57 PolarHBondContact O-NE 3.02Å; R57-F73 HydrophobicContact CB-CB 3.9Å; R57-F73 HydrophobicContact CB-CD1 4.13Å; R57-F73 HydrophobicContact CB-CG 4.38Å; R57-F73 WeakPolarHBondContact CB-O 3.45Å; R57-N74 PolarHBondContact NH1-OD1 3.06Å |
| 58 | V | 96.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.6 | -173.2 | -176.7 | 0 | 0 | 0 | 0 | 110 | V20 F22 L46 L51 V56 F71 L82 | V20-V58 WeakPolarHBondContact O-CA 3.31Å; F22-V58 HydrophobicContact CD2-CG1 3.63Å; F22-V58 HydrophobicContact CE2-CG1 3.64Å; L46-V58 HydrophobicContact CD1-CG1 4.05Å; L46-V58 HydrophobicContact CD2-CG2 3.95Å; L51-V58 HydrophobicContact CD2-CG2 3.94Å; V56-V58 HydrophobicContact CG1-CG2 4.11Å; V58-F71 HydrophobicContact CG1-CE2 4.26Å; V58-L82 HydrophobicContact CB-CD1 4.48Å; V58-L82 HydrophobicContact CB-CD2 4.48Å; V58-L82 HydrophobicContact CG1-CD1 4.44Å; V58-L82 HydrophobicContact CG2-CD2 4.33Å |
| 59 | G | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 154.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V20 F22 F71 | V20-G59 PolarHBondContact O-N 2.81Å; F22-G59 PolarHBondContact N-O 3.05Å; G59-F71 WeakPolarHBondContact CA-O 3.39Å |
| 60 | L | 98.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 122.9 | 173.9 | -168.6 | 155.2 | 0 | 0 | 0 | 110.8 | F22 L24 L39 L42 Q62 E70 F71 L86 I89 | F22-L60 HydrophobicContact CB-CG 4.3Å; F22-L60 WeakPolarHBondContact O-CA 3.38Å; L24-L60 HydrophobicContact CB-CD2 4.34Å; L24-L60 HydrophobicContact CD2-CD2 4.41Å; L39-L60 HydrophobicContact CD2-CD1 4.4Å; L42-L60 HydrophobicContact CD1-CD1 3.92Å; L60-Q62 HydrophobicContact CD2-CG 3.84Å; L60-E70 HydrophobicContact CD2-CB 3.99Å; L60-E70 HydrophobicContact CD2-CG 3.66Å; L60-E70 PolarHBondContact O-N 3.11Å; L60-F71 HydrophobicContact CB-CD1 4.48Å; L60-F71 HydrophobicContact CB-CD2 4.34Å; L60-F71 HydrophobicContact CB-CE1 3.93Å; L60-F71 HydrophobicContact CB-CE2 3.75Å; L60-F71 HydrophobicContact CB-CZ 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.27Å; L60-F71 PolarHBondContact N-O 2.84Å; L60-F71 PolarHBondContact O-N 3.47Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; L60-I89 HydrophobicContact CD1-CD1 3.77Å; L60-I89 HydrophobicContact CD2-CD1 4.01Å; L60-I89 HydrophobicContact CG-CD1 4.47Å |
| 61 | L | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.6 | 178.5 | 176.4 | 58.7 | 0 | 0 | 0 | 109.2 | L21 F22 L23 L24 P67 R68 L69 A101 M104 A105 | L21-L61 HydrophobicContact CD1-CB 4.18Å; F22-L61 PolarHBondContact O-N 2.83Å; L23-L61 WeakPolarHBondContact CA-O 3.25Å; L23-L61 HydrophobicContact CD1-CB 4.24Å; L23-L61 HydrophobicContact CD1-CD2 3.96Å; L23-L61 HydrophobicContact CD1-CG 3.92Å; L24-L61 PolarHBondContact N-O 3.15Å; L61-P67 HydrophobicContact CD1-CB 4.43Å; L61-R68 VanDerWaalsContact CD1-C 3.4Å; L61-R68 WeakPolarHBondContact CD1-O 3.4Å; L61-L69 HydrophobicContact CB-CD1 4.46Å; L61-L69 HydrophobicContact CD1-CB 4.24Å; L61-A101 HydrophobicContact CD2-CB 4.31Å; L61-A101 VanDerWaalsContact CD2-O 3.24Å; L61-A101 WeakPolarHBondContact CD2-O 3.15Å; L61-M104 HydrophobicContact CD1-SD 3.62Å; L61-M104 HydrophobicContact CD2-CB 4.38Å; L61-A105 HydrophobicContact CD2-CB 3.96Å |
| 62 | Q | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 139.1 | 176.7 | -71.3 | -165.2 | 88.8 | 0 | 0 | 111.8 | L24 S26 H35 L60 P67 R68 E70 I89 R90 L92 | L24-Q62 HydrophobicContact CD2-CG 4.47Å; L24-Q62 CarbonylContact O-C 3.53Å; L24-Q62 WeakPolarHBondContact O-CA 3.43Å; S26-Q62 PolarHBondContact OG-OE1 3.49Å; H35-Q62 PolarHBondContact NE2-OE1 3.09Å; L60-Q62 HydrophobicContact CD2-CG 3.84Å; Q62-P67 VanDerWaalsContact O-CA 3.28Å; Q62-P67 WeakPolarHBondContact O-CA 3.35Å; Q62-R68 PolarHBondContact N-O 2.94Å; Q62-R68 PolarHBondContact O-N 3.17Å; Q62-E70 HydrophobicContact CG-CG 3.92Å; Q62-E70 PolarHBondContact NE2-OE1 2.97Å; Q62-I89 HydrophobicContact CG-CG2 4.46Å; Q62-R90 PolarHBondContact NE2-O 2.76Å; Q62-R90 VanDerWaalsContact NE2-O 3.09Å; Q62-R90 PolarHBondContact OE1-O 3.06Å; Q62-L92 HydrophobicContact CB-CD1 3.59Å; Q62-L92 HydrophobicContact CB-CG 3.95Å |
| 63 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.4 | 169.6 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | L23 L24 S26 S27 T96 A101 | L23-V63 HydrophobicContact CD1-CG2 3.56Å; L23-V63 HydrophobicContact CD2-CG2 4.43Å; L23-V63 HydrophobicContact CG-CG2 3.83Å; L24-V63 PolarHBondContact O-N 2.92Å; S26-V63 CarbonylContact C-O 3.59Å; S26-V63 VanDerWaalsContact CA-O 3.3Å; S26-V63 WeakPolarHBondContact CA-O 3.16Å; S26-V63 WeakPolarHBondContact CB-O 3.1Å; S26-V63 PolarHBondContact N-O 3.13Å; S27-V63 PolarHBondContact N-O 2.83Å; V63-T96 HydrophobicContact CG1-CG2 4.18Å; V63-A101 HydrophobicContact CG2-CB 3.9Å |
| 64 | G | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -177.3 | -167.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K66 D95 N97 | G64-K66 PolarHBondContact O-N 3.11Å; G64-K66 VanDerWaalsContact O-N 3.08Å; G64-D95 CarbonylContact C-O 3.56Å; G64-D95 WeakPolarHBondContact CA-O 3.39Å; G64-N97 WeakPolarHBondContact O-CB 3.48Å |
| 65 | T | 94.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 36% | 0.362 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -55.8 | -36.2 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | G94 D95 N97 | T65-G94 WeakPolarHBondContact OG1-CA 3.34Å; T65-D95 WeakPolarHBondContact CA-O 3.38Å; T65-D95 PolarHBondContact N-O 2.88Å; T65-D95 PolarHBondContact OG1-N 2.89Å; T65-N97 PolarHBondContact O-ND2 2.94Å |
| 66 | K | 95.6 | Very high | 95.4 | Very high | 175 Ų | 175 | 38.6 Ų | 38.6 | 76% | 0.761 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -126 | 111.3 | 168.9 | -67.1 | -176.3 | -179.8 | -179.3 | 0 | 107.6 | G64 L92 | G64-K66 PolarHBondContact O-N 3.11Å; G64-K66 VanDerWaalsContact O-N 3.08Å; K66-L92 WeakPolarHBondContact O-CD1 3.38Å |
| 67 | P | 96.6 | Very high | 95.3 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | trans | -54.6 | 143.4 | 177.1 | -25.5 | 33.8 | 0 | 0 | 0 | 111.5 | L61 Q62 D100 A101 M104 | L61-P67 HydrophobicContact CD1-CB 4.43Å; Q62-P67 VanDerWaalsContact O-CA 3.28Å; Q62-P67 WeakPolarHBondContact O-CA 3.35Å; P67-D100 HydrophobicContact CG-CB 3.9Å; P67-A101 HydrophobicContact CB-CB 3.72Å; P67-A101 HydrophobicContact CG-CB 3.74Å; P67-M104 HydrophobicContact CB-CE 4.19Å | ||
| 68 | R | 96.7 | Very high | 95.1 | Very high | 111 Ų | 111 | 44.2 Ų | 44.2 | 42% | 0.419 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 120.7 | -176.8 | -169.6 | 173.7 | 73.7 | -167.2 | -0.6 | 111.5 | L61 Q62 E70 L92 | L61-R68 VanDerWaalsContact CD1-C 3.4Å; L61-R68 WeakPolarHBondContact CD1-O 3.4Å; Q62-R68 PolarHBondContact N-O 2.94Å; Q62-R68 PolarHBondContact O-N 3.17Å; R68-E70 IonicContact CZ-OE1 2.85Å; R68-E70 IonicContact NE-OE1 3.11Å; R68-E70 PolarHBondContact NE-OE1 2.89Å; R68-E70 IonicContact NH2-OE1 2.71Å; R68-E70 PolarHBondContact NH2-OE1 3.44Å; R68-E70 IonicContact NH2-OE2 3.2Å; R68-E70 PolarHBondContact O-N 2.61Å; R68-L92 HydrophobicContact CB-CD1 3.95Å; R68-L92 HydrophobicContact CB-CD2 4.05Å; R68-L92 VanDerWaalsContact CZ-CD2 3.42Å |
| 69 | L | 96.2 | Very high | 94.9 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 111.9 | 169.1 | -177.4 | 64.9 | 0 | 0 | 0 | 108.6 | L61 F71 V109 | L61-L69 HydrophobicContact CB-CD1 4.46Å; L61-L69 HydrophobicContact CD1-CB 4.24Å; L69-F71 WeakPolarHBondContact CD1-O 3.33Å; L69-V109 HydrophobicContact CD1-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG2 3.88Å; L69-V109 HydrophobicContact CD2-CG2 4.12Å |
| 70 | E | 96.1 | Very high | 94.7 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -44.6 | 174.9 | -68.5 | -56 | 133.7 | 0 | 0 | 110.6 | L60 Q62 R68 I89 | L60-E70 HydrophobicContact CD2-CB 3.99Å; L60-E70 HydrophobicContact CD2-CG 3.66Å; L60-E70 PolarHBondContact O-N 3.11Å; Q62-E70 HydrophobicContact CG-CG 3.92Å; Q62-E70 PolarHBondContact NE2-OE1 2.97Å; R68-E70 IonicContact CZ-OE1 2.85Å; R68-E70 IonicContact NE-OE1 3.11Å; R68-E70 PolarHBondContact NE-OE1 2.89Å; R68-E70 IonicContact NH2-OE1 2.71Å; R68-E70 PolarHBondContact NH2-OE1 3.44Å; R68-E70 IonicContact NH2-OE2 3.2Å; R68-E70 PolarHBondContact O-N 2.61Å; E70-I89 HydrophobicContact CB-CD1 4.4Å; E70-I89 HydrophobicContact CG-CD1 4.19Å; E70-I89 HydrophobicContact CG-CG1 4.22Å; E70-I89 HydrophobicContact CG-CG2 4.24Å |
| 71 | F | 95.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 142.1 | 173.7 | 51.5 | -100.7 | 0 | 0 | 0 | 111.1 | V58 G59 L60 L69 R75 H76 L82 A85 L86 I89 | V58-F71 HydrophobicContact CG1-CE2 4.26Å; G59-F71 WeakPolarHBondContact CA-O 3.39Å; L60-F71 HydrophobicContact CB-CD1 4.48Å; L60-F71 HydrophobicContact CB-CD2 4.34Å; L60-F71 HydrophobicContact CB-CE1 3.93Å; L60-F71 HydrophobicContact CB-CE2 3.75Å; L60-F71 HydrophobicContact CB-CZ 3.51Å; L60-F71 HydrophobicContact CD1-CZ 4.27Å; L60-F71 PolarHBondContact N-O 2.84Å; L60-F71 PolarHBondContact O-N 3.47Å; L69-F71 WeakPolarHBondContact CD1-O 3.33Å; F71-R75 HydrophobicContact CB-CB 3.72Å; F71-R75 HydrophobicContact CB-CG 3.76Å; F71-H76 AromaticContact CD1-CD2 3.87Å; F71-H76 AromaticContact CD1-NE2 3.72Å; F71-H76 AromaticContact CD2-CD2 3.72Å; F71-H76 AromaticContact CG-CD2 3.59Å; F71-H76 AromaticContact CG-NE2 3.77Å; F71-L82 HydrophobicContact CE2-CD1 3.85Å; F71-L82 HydrophobicContact CZ-CD1 3.67Å; F71-A85 HydrophobicContact CD1-CB 4.31Å; F71-A85 HydrophobicContact CE1-CB 4.05Å; F71-L86 HydrophobicContact CZ-CD2 4.3Å; F71-I89 HydrophobicContact CE1-CD1 4.1Å |
| 72 | G | 93.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | trans | -87.6 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N74 R75 | G72-N74 PolarHBondContact O-N 2.99Å; G72-N74 VanDerWaalsContact O-N 3.07Å; G72-R75 WeakPolarHBondContact O-CB 3.3Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.15Å | ||
| 73 | F | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | -173.3 | -65.4 | -54.5 | 0 | 0 | 0 | 115.1 | D19 L21 R57 V109 L110 A118 | D19-F73 HydrophobicContact CB-CD1 4Å; D19-F73 HydrophobicContact CB-CD2 4.24Å; D19-F73 HydrophobicContact CB-CE1 3.72Å; D19-F73 HydrophobicContact CB-CE2 3.93Å; D19-F73 HydrophobicContact CB-CG 4.27Å; D19-F73 HydrophobicContact CB-CZ 3.67Å; L21-F73 HydrophobicContact CB-CE1 4.3Å; L21-F73 HydrophobicContact CB-CZ 3.94Å; R57-F73 HydrophobicContact CB-CB 3.9Å; R57-F73 HydrophobicContact CB-CD1 4.13Å; R57-F73 HydrophobicContact CB-CG 4.38Å; R57-F73 WeakPolarHBondContact CB-O 3.45Å; F73-V109 HydrophobicContact CD2-CG1 4.29Å; F73-V109 HydrophobicContact CE2-CG1 3.85Å; F73-V109 WeakPolarHBondContact CE2-O 3.27Å; F73-V109 HydrophobicContact CZ-CG1 4.22Å; F73-L110 HydrophobicContact CE2-CD2 4.47Å; F73-L110 HydrophobicContact CZ-CD2 4.15Å; F73-A118 HydrophobicContact CD2-CB 4.3Å; F73-A118 HydrophobicContact CE2-CB 3.88Å |
| 74 | N | 89.6 | Confident | 94.4 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.7 | -176.3 | -65.9 | -43.1 | 0 | 0 | 0 | 113.8 | R57 G72 S115 | R57-N74 PolarHBondContact NH1-OD1 3.06Å; G72-N74 PolarHBondContact O-N 2.99Å; G72-N74 VanDerWaalsContact O-N 3.07Å; N74-S115 PolarHBondContact ND2-O 3.26Å |
| 75 | R | 93.9 | Very high | 94.5 | Very high | 173 Ų | 173 | 56.5 Ų | 56.5 | 65% | 0.653 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -78.8 | -39.4 | -169 | -173.2 | 66.4 | -179 | 105 | -3.5 | 114.1 | F71 G72 | F71-R75 HydrophobicContact CB-CB 3.72Å; F71-R75 HydrophobicContact CB-CG 3.76Å; G72-R75 WeakPolarHBondContact O-CB 3.3Å; G72-R75 PolarHBondContact O-N 2.89Å; G72-R75 VanDerWaalsContact O-N 3.15Å |
| 76 | H | 94 | Very high | 94.6 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 13% | 0.125 | 29% | 0.288 | C | S | . | . | trans | -125.9 | 114.6 | -172.9 | -61.5 | -66.8 | 0 | 0 | 0 | 110.6 | F71 G81 L82 A85 | F71-H76 AromaticContact CD1-CD2 3.87Å; F71-H76 AromaticContact CD1-NE2 3.72Å; F71-H76 AromaticContact CD2-CD2 3.72Å; F71-H76 AromaticContact CG-CD2 3.59Å; F71-H76 AromaticContact CG-NE2 3.77Å; H76-G81 PolarHBondContact ND1-O 2.88Å; H76-L82 HydrophobicContact CB-CB 4.11Å; H76-L82 HydrophobicContact CB-CD1 4.35Å; H76-A85 VanDerWaalsContact CE1-CB 3.49Å; H76-A85 WeakPolarHBondContact CE1-CB 3.2Å; H76-A85 VanDerWaalsContact NE2-CB 3.33Å; H76-A85 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 77 | S | 89.5 | Confident | 94.6 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 53% | 0.531 | 28% | 0.283 | S | S | . | . | trans | -113.2 | 4.6 | 178.2 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | L51 | L51-S77 CarbonylContact C-O 3.54Š| ||
| 78 | T | 90.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -135.7 | 148.9 | -179.8 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | S80 G81 L82 | T78-S80 VanDerWaalsContact C-N 3.35Å; T78-S80 PolarHBondContact O-N 2.77Å; T78-G81 PolarHBondContact O-N 2.84Å; T78-G81 PolarHBondContact OG1-N 3.33Å; T78-L82 PolarHBondContact O-N 2.89Å |
| 79 | Q | 91.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | -178.8 | -161 | 60.3 | 17.3 | 0 | 0 | 111.9 | L46 L47 G81 L82 Q83 | L46-Q79 PolarHBondContact O-NE2 2.88Å; L47-Q79 VanDerWaalsContact CA-NE2 3.29Å; L47-Q79 HydrophobicContact CD2-CG 4.3Å; Q79-G81 VanDerWaalsContact C-N 3.3Å; Q79-G81 PolarHBondContact O-N 3.44Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-Q83 HydrophobicContact CG-CG 4.01Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.29Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 2.89Å |
| 80 | S | 93.2 | Very high | 94.4 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 72% | 0.72 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.9 | -43.7 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | T78 G84 | T78-S80 VanDerWaalsContact C-N 3.35Å; T78-S80 PolarHBondContact O-N 2.77Å; S80-G84 PolarHBondContact O-N 2.86Å |
| 81 | G | 95.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H76 T78 Q79 A85 | H76-G81 PolarHBondContact ND1-O 2.88Å; T78-G81 PolarHBondContact O-N 2.84Å; T78-G81 PolarHBondContact OG1-N 3.33Å; Q79-G81 VanDerWaalsContact C-N 3.3Å; Q79-G81 PolarHBondContact O-N 3.44Å; G81-A85 PolarHBondContact O-N 3.19Å |
| 82 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 178.5 | 178.4 | 64.2 | 0 | 0 | 0 | 111.6 | L46 L51 V58 F71 H76 T78 Q79 G84 A85 L86 | L46-L82 HydrophobicContact CB-CD2 4.23Å; L46-L82 HydrophobicContact CD1-CD2 4.06Å; L51-L82 HydrophobicContact CD1-CB 3.8Å; L51-L82 HydrophobicContact CD1-CD2 3.49Å; L51-L82 VanDerWaalsContact CD1-CD2 3.49Å; L51-L82 HydrophobicContact CD1-CG 4.28Å; L51-L82 HydrophobicContact CD2-CD2 4.38Å; V58-L82 HydrophobicContact CB-CD1 4.48Å; V58-L82 HydrophobicContact CB-CD2 4.48Å; V58-L82 HydrophobicContact CG1-CD1 4.44Å; V58-L82 HydrophobicContact CG2-CD2 4.33Å; F71-L82 HydrophobicContact CE2-CD1 3.85Å; F71-L82 HydrophobicContact CZ-CD1 3.67Å; H76-L82 HydrophobicContact CB-CB 4.11Å; H76-L82 HydrophobicContact CB-CD1 4.35Å; T78-L82 PolarHBondContact O-N 2.89Å; Q79-L82 PolarHBondContact O-N 2.92Å; L82-G84 PolarHBondContact O-N 3.32Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.98Å; L82-A85 VanDerWaalsContact O-N 3.1Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CG 4.37Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.84Å |
| 83 | Q | 96.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 66 Ų | 66 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | -179.8 | -66.3 | -63.4 | -25.8 | 0 | 0 | 111.6 | S43 L47 Q79 A85 L86 T87 | S43-Q83 VanDerWaalsContact CB-OE1 3.23Å; S43-Q83 PolarHBondContact O-NE2 2.82Å; S43-Q83 VanDerWaalsContact O-NE2 3.12Å; S43-Q83 PolarHBondContact OG-OE1 3.35Å; L47-Q83 HydrophobicContact CD2-CG 4.34Å; Q79-Q83 HydrophobicContact CG-CG 4.01Å; Q79-Q83 VanDerWaalsContact O-CB 3.28Å; Q79-Q83 WeakPolarHBondContact O-CB 3.29Å; Q79-Q83 WeakPolarHBondContact O-CG 3.43Å; Q79-Q83 PolarHBondContact O-N 2.89Å; Q83-A85 VanDerWaalsContact C-N 3.3Å; Q83-A85 PolarHBondContact O-N 3.16Å; Q83-L86 PolarHBondContact O-N 3.01Å; Q83-T87 WeakPolarHBondContact O-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.75Å; Q83-T87 PolarHBondContact O-OG1 2.84Å |
| 84 | G | 96.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 67.6 Ų | 67.6 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S80 L82 T87 N88 | S80-G84 PolarHBondContact O-N 2.86Å; L82-G84 PolarHBondContact O-N 3.32Å; G84-T87 PolarHBondContact O-OG1 2.88Å; G84-N88 PolarHBondContact O-ND2 2.86Å |
| 85 | A | 96.5 | Very high | 94 | Very high | 21 Ų | 21 | 69 Ų | 69 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.2 | -50 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F71 H76 G81 L82 Q83 T87 N88 I89 | F71-A85 HydrophobicContact CD1-CB 4.31Å; F71-A85 HydrophobicContact CE1-CB 4.05Å; H76-A85 VanDerWaalsContact CE1-CB 3.49Å; H76-A85 WeakPolarHBondContact CE1-CB 3.2Å; H76-A85 VanDerWaalsContact NE2-CB 3.33Å; H76-A85 WeakPolarHBondContact NE2-CB 3.46Å; G81-A85 PolarHBondContact O-N 3.19Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.98Å; L82-A85 VanDerWaalsContact O-N 3.1Å; Q83-A85 VanDerWaalsContact C-N 3.3Å; Q83-A85 PolarHBondContact O-N 3.16Å; A85-T87 VanDerWaalsContact C-N 3.27Å; A85-T87 PolarHBondContact O-N 2.8Å; A85-N88 PolarHBondContact O-N 2.81Å; A85-I89 WeakPolarHBondContact O-CG1 3.42Å; A85-I89 PolarHBondContact O-N 2.86Å |
| 86 | L | 97.2 | Very high | 94 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | -178.2 | -71.2 | 168.8 | 0 | 0 | 0 | 112.5 | L39 L42 L46 L60 F71 L82 Q83 N88 I89 | L39-L86 HydrophobicContact CD2-CD2 4.17Å; L42-L86 HydrophobicContact CB-CD2 4.5Å; L46-L86 HydrophobicContact CD1-CD1 4.33Å; L60-L86 HydrophobicContact CD1-CD2 3.68Å; F71-L86 HydrophobicContact CZ-CD2 4.3Å; L82-L86 HydrophobicContact CD1-CD1 4.34Å; L82-L86 HydrophobicContact CD1-CG 4.37Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 WeakPolarHBondContact O-CG 3.45Å; L82-L86 PolarHBondContact O-N 2.84Å; Q83-L86 PolarHBondContact O-N 3.01Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 2.86Å; L86-I89 HydrophobicContact CD2-CD1 4.18Å; L86-I89 PolarHBondContact O-N 2.82Å |
| 87 | T | 93.9 | Very high | 94 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.1 | -19.5 | 178.4 | 47.3 | 0 | 0 | 0 | 0 | 114.9 | Q83 G84 A85 | Q83-T87 WeakPolarHBondContact O-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.75Å; Q83-T87 PolarHBondContact O-OG1 2.84Å; G84-T87 PolarHBondContact O-OG1 2.88Å; A85-T87 VanDerWaalsContact C-N 3.27Å; A85-T87 PolarHBondContact O-N 2.8Å |
| 88 | N | 93.4 | Very high | 94.3 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -102.9 | -4.2 | -176.4 | -75 | -60.5 | 0 | 0 | 0 | 113.9 | G84 A85 L86 R90 | G84-N88 PolarHBondContact O-ND2 2.86Å; A85-N88 PolarHBondContact O-N 2.81Å; L86-N88 VanDerWaalsContact C-N 3.25Å; L86-N88 PolarHBondContact O-N 2.86Å; N88-R90 PolarHBondContact O-N 2.77Å |
| 89 | I | 96.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.087 | 33% | 0.327 | C | S | . | . | trans | -67 | 131.8 | -179.7 | -67.3 | 169.4 | 0 | 0 | 0 | 110 | L39 L60 Q62 E70 F71 A85 L86 | L39-I89 HydrophobicContact CD1-CB 3.94Å; L39-I89 HydrophobicContact CD1-CG2 4.25Å; L39-I89 HydrophobicContact CD2-CB 4.24Å; L39-I89 HydrophobicContact CD2-CD1 3.92Å; L39-I89 HydrophobicContact CD2-CG2 4.44Å; L60-I89 HydrophobicContact CD1-CD1 3.77Å; L60-I89 HydrophobicContact CD2-CD1 4.01Å; L60-I89 HydrophobicContact CG-CD1 4.47Å; Q62-I89 HydrophobicContact CG-CG2 4.46Å; E70-I89 HydrophobicContact CB-CD1 4.4Å; E70-I89 HydrophobicContact CG-CD1 4.19Å; E70-I89 HydrophobicContact CG-CG1 4.22Å; E70-I89 HydrophobicContact CG-CG2 4.24Å; F71-I89 HydrophobicContact CE1-CD1 4.1Å; A85-I89 WeakPolarHBondContact O-CG1 3.42Å; A85-I89 PolarHBondContact O-N 2.86Å; L86-I89 HydrophobicContact CD2-CD1 4.18Å; L86-I89 PolarHBondContact O-N 2.82Å | ||
| 90 | R | 95.3 | Very high | 94.8 | Very high | 199 Ų | 199 | 60.5 Ų | 60.5 | 75% | 0.751 | 34% | 0.339 | S | S | * | . | trans | -107.5 | 140.8 | 175.3 | -63 | -173.8 | -179 | -166.9 | -0.1 | 110.5 | Q62 N88 | Q62-R90 PolarHBondContact NE2-O 2.76Å; Q62-R90 VanDerWaalsContact NE2-O 3.09Å; Q62-R90 PolarHBondContact OE1-O 3.06Å; N88-R90 PolarHBondContact O-N 2.77Å | ||
| 91 | P | 94.7 | Very high | 95 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | trans | -64.3 | 141.4 | 178.2 | 26.4 | -33.2 | 0 | 0 | 0 | 110.7 | H35 R93 | H35-P91 HydrophobicContact CB-CB 4.43Å; P91-R93 HydrophobicContact CB-CG 4.47Å | ||
| 92 | L | 94.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | trans | -71.5 | -39.6 | 178.3 | -63.6 | -178.2 | 0 | 0 | 0 | 112.4 | Q62 K66 R68 | Q62-L92 HydrophobicContact CB-CD1 3.59Å; Q62-L92 HydrophobicContact CB-CG 3.95Å; K66-L92 WeakPolarHBondContact O-CD1 3.38Å; R68-L92 HydrophobicContact CB-CD1 3.95Å; R68-L92 HydrophobicContact CB-CD2 4.05Å; R68-L92 VanDerWaalsContact CZ-CD2 3.42Å | ||
| 93 | R | 90.2 | Very high | 95.1 | Very high | 152 Ų | 152 | 59.8 Ų | 59.8 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | trans | 62.3 | -179.2 | -170.1 | -52.5 | -179.4 | 172.3 | -169.1 | -4.1 | 112.5 | S26 S32 P91 | S26-R93 WeakPolarHBondContact O-CA 3.42Å; S26-R93 PolarHBondContact O-N 2.94Å; S32-R93 PolarHBondContact OG-NH2 3.25Å; P91-R93 HydrophobicContact CB-CG 4.47Å | ||
| 94 | G | 91.9 | Very high | 95.1 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 92 | -153.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G28 T65 | G28-G94 VanDerWaalsContact CA-O 3.32Å; G28-G94 WeakPolarHBondContact CA-O 3.19Å; G28-G94 PolarHBondContact N-O 3.05Å; T65-G94 WeakPolarHBondContact OG1-CA 3.34Å |
| 95 | D | 91.9 | Very high | 95.1 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -72.9 | 152.8 | -178.1 | -60 | -45.2 | 0 | 0 | 0 | 112.1 | G64 T65 N97 | G64-D95 CarbonylContact C-O 3.56Å; G64-D95 WeakPolarHBondContact CA-O 3.39Å; T65-D95 WeakPolarHBondContact CA-O 3.38Å; T65-D95 PolarHBondContact N-O 2.88Å; T65-D95 PolarHBondContact OG1-N 2.89Å; D95-N97 PolarHBondContact O-N 3.03Å |
| 96 | T | 93 | Very high | 95 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | trans | -87.2 | 107 | 178 | -45.3 | 0 | 0 | 0 | 0 | 110.3 | S27 V63 | S27-T96 WeakPolarHBondContact CB-OG1 3.06Å; S27-T96 PolarHBondContact OG-OG1 3.11Å; S27-T96 VanDerWaalsContact OG-OG1 3.06Å; V63-T96 HydrophobicContact CG1-CG2 4.18Å | ||
| 97 | N | 95.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | trans | -115.7 | 63.6 | 178 | -70.9 | -31 | 0 | 0 | 0 | 112.3 | G64 T65 D95 V99 D100 A101 | G64-N97 WeakPolarHBondContact O-CB 3.48Å; T65-N97 PolarHBondContact O-ND2 2.94Å; D95-N97 PolarHBondContact O-N 3.03Å; N97-V99 VanDerWaalsContact C-N 3.35Å; N97-V99 PolarHBondContact O-N 3.46Å; N97-D100 HydrophobicContact CB-CB 4.47Å; N97-D100 PolarHBondContact O-N 3.04Å; N97-A101 PolarHBondContact O-N 2.81Å | ||
| 98 | T | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | -178.7 | -46.4 | 0 | 0 | 0 | 0 | 112.6 | L23 D100 A101 L102 W128 P135 V138 | L23-T98 HydrophobicContact CD2-CG2 4.2Å; T98-D100 PolarHBondContact O-N 3.43Å; T98-A101 CarbonylContact O-C 3.44Å; T98-A101 WeakPolarHBondContact O-CB 3.48Å; T98-A101 PolarHBondContact O-N 3.02Å; T98-A101 VanDerWaalsContact O-N 3.13Å; T98-L102 HydrophobicContact CG2-CD1 4.2Å; T98-L102 HydrophobicContact CG2-CG 4.31Å; T98-L102 WeakPolarHBondContact O-CG 3.48Å; T98-L102 PolarHBondContact O-N 2.84Å; T98-W128 HydrophobicContact CG2-CH2 4.18Å; T98-W128 HydrophobicContact CG2-CZ2 3.57Å; T98-P135 VanDerWaalsContact CB-O 3.27Å; T98-P135 WeakPolarHBondContact CB-O 3.18Å; T98-P135 PolarHBondContact OG1-O 3.35Å; T98-V138 HydrophobicContact CG2-CG1 3.86Å |
| 99 | V | 96 | Very high | 94.7 | Very high | 56 Ų | 56 | 60 Ų | 60 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | N97 A101 L102 K103 D137 P141 | N97-V99 VanDerWaalsContact C-N 3.35Å; N97-V99 PolarHBondContact O-N 3.46Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 2.81Å; V99-L102 PolarHBondContact O-N 3.08Å; V99-K103 PolarHBondContact O-N 2.72Å; V99-D137 WeakPolarHBondContact CG2-O 3.39Å; V99-P141 HydrophobicContact CG1-CG 4.34Å |
| 100 | D | 96.7 | Very high | 94.7 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 175.6 | -76.7 | -15.3 | 0 | 0 | 0 | 111.8 | P67 N97 T98 K103 M104 | P67-D100 HydrophobicContact CG-CB 3.9Å; N97-D100 HydrophobicContact CB-CB 4.47Å; N97-D100 PolarHBondContact O-N 3.04Å; T98-D100 PolarHBondContact O-N 3.43Å; D100-K103 PolarHBondContact O-N 3.31Å; D100-M104 PolarHBondContact O-N 3.42Å |
| 101 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L23 L61 V63 P67 N97 T98 V99 K103 M104 A105 | L23-A101 HydrophobicContact CD1-CB 3.78Å; L61-A101 HydrophobicContact CD2-CB 4.31Å; L61-A101 VanDerWaalsContact CD2-O 3.24Å; L61-A101 WeakPolarHBondContact CD2-O 3.15Å; V63-A101 HydrophobicContact CG2-CB 3.9Å; P67-A101 HydrophobicContact CB-CB 3.72Å; P67-A101 HydrophobicContact CG-CB 3.74Å; N97-A101 PolarHBondContact O-N 2.81Å; T98-A101 CarbonylContact O-C 3.44Å; T98-A101 WeakPolarHBondContact O-CB 3.48Å; T98-A101 PolarHBondContact O-N 3.02Å; T98-A101 VanDerWaalsContact O-N 3.13Å; V99-A101 VanDerWaalsContact C-N 3.3Å; V99-A101 PolarHBondContact O-N 2.81Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; A101-M104 PolarHBondContact O-N 3.34Å; A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 3.09Å |
| 102 | L | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 175.2 | -69.3 | 171.5 | 0 | 0 | 0 | 111.9 | L23 T98 V99 A105 K106 L126 V138 P141 M142 L145 | L23-L102 HydrophobicContact CD2-CD2 3.67Å; L23-L102 HydrophobicContact CD2-CG 4.26Å; T98-L102 HydrophobicContact CG2-CD1 4.2Å; T98-L102 HydrophobicContact CG2-CG 4.31Å; T98-L102 WeakPolarHBondContact O-CG 3.48Å; T98-L102 PolarHBondContact O-N 2.84Å; V99-L102 PolarHBondContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 2.93Å; L102-K106 WeakPolarHBondContact O-CB 3.47Å; L102-K106 PolarHBondContact O-N 2.9Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-V138 HydrophobicContact CD1-CB 3.99Å; L102-V138 HydrophobicContact CD1-CG1 3.83Å; L102-P141 HydrophobicContact CB-CB 4.08Å; L102-P141 HydrophobicContact CD1-CB 4.02Å; L102-M142 HydrophobicContact CD1-CE 3.9Å; L102-M142 HydrophobicContact CD1-CG 4Å; L102-M142 HydrophobicContact CD1-SD 4.13Å; L102-M142 HydrophobicContact CD2-CE 3.48Å; L102-M142 VanDerWaalsContact CD2-CE 3.48Å; L102-M142 HydrophobicContact CD2-SD 3.63Å; L102-M142 HydrophobicContact CG-CE 4.3Å; L102-L145 HydrophobicContact CD2-CD1 4.08Å |
| 103 | K | 96.5 | Very high | 93.3 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 172.3 | -172.8 | 178.3 | -180 | 179.7 | 0 | 111.5 | V99 D100 A101 A105 K106 E107 | V99-K103 PolarHBondContact O-N 2.72Å; D100-K103 PolarHBondContact O-N 3.31Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; K103-A105 PolarHBondContact O-N 3.13Å; K103-K106 PolarHBondContact O-N 3.45Å; K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.32Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 2.96Å |
| 104 | M | 95.7 | Very high | 92.9 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.5 | -173.6 | -177.5 | -61.7 | 0 | 0 | 111.9 | L61 P67 D100 A101 W108 V109 | L61-M104 HydrophobicContact CD1-SD 3.62Å; L61-M104 HydrophobicContact CD2-CB 4.38Å; P67-M104 HydrophobicContact CB-CE 4.19Å; D100-M104 PolarHBondContact O-N 3.42Å; A101-M104 PolarHBondContact O-N 3.34Å; M104-W108 HydrophobicContact CE-CZ3 4.21Å; M104-W108 HydrophobicContact CG-CD2 4.29Å; M104-W108 HydrophobicContact CG-CE3 3.65Å; M104-W108 HydrophobicContact CG-CZ3 4.1Å; M104-W108 WeakPolarHBondContact O-CB 3.25Å; M104-W108 PolarHBondContact O-N 3.11Å; M104-W108 VanDerWaalsContact O-N 3.08Å; M104-W108 HydrophobicContact SD-CE3 4.32Å; M104-W108 HydrophobicContact SD-CZ3 4.36Å; M104-V109 PolarHBondContact O-N 3.12Å |
| 105 | A | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -58.2 | -51.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L21 L61 A101 L102 K103 V109 L110 | L21-A105 HydrophobicContact CD2-CB 3.72Å; L61-A105 HydrophobicContact CD2-CB 3.96Å; A101-A105 WeakPolarHBondContact O-CB 3.4Å; A101-A105 PolarHBondContact O-N 3.09Å; L102-A105 PolarHBondContact O-N 2.93Å; K103-A105 PolarHBondContact O-N 3.13Å; A105-V109 PolarHBondContact O-N 3.02Å; A105-L110 HydrophobicContact CB-CD1 4.18Å; A105-L110 WeakPolarHBondContact O-CB 3.49Å; A105-L110 PolarHBondContact O-N 3.08Å |
| 106 | K | 95.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -63.7 | -52 | -179.7 | -173.3 | -176.7 | -177.3 | -168.3 | 0 | 112.6 | L102 K103 R111 E144 L145 E148 | L102-K106 WeakPolarHBondContact O-CB 3.47Å; L102-K106 PolarHBondContact O-N 2.9Å; K103-K106 PolarHBondContact O-N 3.45Å; K106-R111 WeakPolarHBondContact O-CB 3.16Å; K106-E144 IonicContact NZ-OE2 2.99Å; K106-E144 PolarHBondContact NZ-OE2 3.03Å; K106-L145 HydrophobicContact CB-CD2 3.71Å; K106-L145 HydrophobicContact CB-CG 4.35Å; K106-L145 HydrophobicContact CG-CD2 3.85Å; K106-E148 WeakPolarHBondContact CE-OE1 3.45Å; K106-E148 IonicContact NZ-OE1 3.21Å; K106-E148 PolarHBondContact NZ-OE1 2.93Å |
| 107 | E | 92.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -76.4 | -30 | -168.8 | -69.6 | -179.2 | 179.3 | 0 | 0 | 113 | K103 R111 | K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.32Å; K103-E107 WeakPolarHBondContact O-CB 3.35Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 2.96Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 WeakPolarHBondContact O-CD 3.49Å |
| 108 | W | 90.1 | Very high | 91 | Very high | 154 Ų | 154 | 51.4 Ų | 51.4 | 58% | 0.583 | 28% | 0.276 | S | S | * | . | I | π-helix | trans | -119.2 | -47.7 | -170.5 | -59.8 | -10.8 | 0 | 0 | 0 | 114.1 | M104 T114 | M104-W108 HydrophobicContact CE-CZ3 4.21Å; M104-W108 HydrophobicContact CG-CD2 4.29Å; M104-W108 HydrophobicContact CG-CE3 3.65Å; M104-W108 HydrophobicContact CG-CZ3 4.1Å; M104-W108 WeakPolarHBondContact O-CB 3.25Å; M104-W108 PolarHBondContact O-N 3.11Å; M104-W108 VanDerWaalsContact O-N 3.08Å; M104-W108 HydrophobicContact SD-CE3 4.32Å; M104-W108 HydrophobicContact SD-CZ3 4.36Å; W108-T114 PolarHBondContact O-OG1 3.01Å |
| 109 | V | 94.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -89.9 | -49.4 | -167.7 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | L21 L69 F73 M104 A105 R111 G117 A118 | L21-V109 HydrophobicContact CD1-CG1 3.89Å; L21-V109 HydrophobicContact CD2-CB 4.07Å; L21-V109 HydrophobicContact CD2-CG1 3.9Å; L21-V109 HydrophobicContact CG-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG1 4.44Å; L69-V109 HydrophobicContact CD1-CG2 3.88Å; L69-V109 HydrophobicContact CD2-CG2 4.12Å; F73-V109 HydrophobicContact CD2-CG1 4.29Å; F73-V109 HydrophobicContact CE2-CG1 3.85Å; F73-V109 WeakPolarHBondContact CE2-O 3.27Å; F73-V109 HydrophobicContact CZ-CG1 4.22Å; M104-V109 PolarHBondContact O-N 3.12Å; A105-V109 PolarHBondContact O-N 3.02Å; V109-R111 VanDerWaalsContact C-N 3.3Å; V109-G117 CarbonylContact O-C 3.52Å; V109-G117 VanDerWaalsContact O-C 3.3Å; V109-G117 VanDerWaalsContact O-CA 3.24Å; V109-G117 WeakPolarHBondContact O-CA 3.21Å; V109-A118 PolarHBondContact O-N 2.82Å |
| 110 | L | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -83.5 | -8.9 | 179.3 | -67.5 | 168.1 | 0 | 0 | 0 | 112.6 | L21 F73 A105 P112 A118 R124 L126 L145 V150 | L21-L110 HydrophobicContact CB-CD2 3.98Å; L21-L110 HydrophobicContact CD2-CD1 3.96Å; L21-L110 HydrophobicContact CD2-CD2 4.16Å; L21-L110 HydrophobicContact CD2-CG 3.77Å; F73-L110 HydrophobicContact CE2-CD2 4.47Å; F73-L110 HydrophobicContact CZ-CD2 4.15Å; A105-L110 HydrophobicContact CB-CD1 4.18Å; A105-L110 WeakPolarHBondContact O-CB 3.49Å; A105-L110 PolarHBondContact O-N 3.08Å; L110-P112 WeakPolarHBondContact O-CD 3.33Å; L110-A118 WeakPolarHBondContact O-CB 3.47Å; L110-R124 HydrophobicContact CD2-CB 4.32Å; L110-R124 WeakPolarHBondContact O-CD 3.46Å; L110-R124 PolarHBondContact O-NH1 2.76Å; L110-L126 HydrophobicContact CD1-CB 4.5Å; L110-L145 HydrophobicContact CD1-CD2 3.7Å; L110-V150 HydrophobicContact CB-CG2 4.42Å; L110-V150 HydrophobicContact CD1-CG1 4.02Å; L110-V150 HydrophobicContact CD1-CG2 4.26Å; L110-V150 HydrophobicContact CD2-CG1 4.39Å |
| 111 | R | 92 | Very high | 89 | Confident | 142 Ų | 142 | 55.2 Ų | 55.2 | 54% | 0.536 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -75.8 | 125.3 | 177.9 | -171.8 | 174.5 | -179.7 | 173.6 | 2.3 | 111 | K106 E107 V109 T114 G117 A118 | K106-R111 WeakPolarHBondContact O-CB 3.16Å; E107-R111 WeakPolarHBondContact O-CB 3.38Å; E107-R111 WeakPolarHBondContact O-CD 3.49Å; V109-R111 VanDerWaalsContact C-N 3.3Å; R111-T114 HydrophobicContact CB-CG2 4.29Å; R111-T114 HydrophobicContact CG-CG2 4.26Å; R111-T114 PolarHBondContact O-OG1 3.49Å; R111-G117 VanDerWaalsContact O-CA 3.3Å; R111-G117 WeakPolarHBondContact O-CA 3.47Å; R111-A118 PolarHBondContact O-N 2.81Å |
| 112 | P | 86.6 | Confident | 88.3 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 31% | 0.312 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 145.7 | 171.6 | -22.6 | 35.2 | 0 | 0 | 0 | 113.2 | L110 A118 E120 | L110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-A118 VanDerWaalsContact CA-O 3.3Å; P112-A118 WeakPolarHBondContact CA-O 3.45Å; P112-E120 HydrophobicContact CB-CB 4.11Å; P112-E120 HydrophobicContact CB-CG 4.35Å |
| 113 | G | 76.8 | Confident | 87.9 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 114 | T | 82.2 | Confident | 87.7 | Confident | 50 Ų | 50 | 53 Ų | 53 | 31% | 0.307 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -92.7 | 163.2 | 168.7 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | W108 R111 D116 G117 | W108-T114 PolarHBondContact O-OG1 3.01Å; R111-T114 HydrophobicContact CB-CG2 4.29Å; R111-T114 HydrophobicContact CG-CG2 4.26Å; R111-T114 PolarHBondContact O-OG1 3.49Å; T114-D116 VanDerWaalsContact C-N 3.27Å; T114-D116 PolarHBondContact O-N 2.99Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 VanDerWaalsContact O-N 3.17Å; T114-G117 WeakPolarHBondContact OG1-CA 3.37Å; T114-G117 PolarHBondContact OG1-N 3.09Å |
| 115 | S | 77.3 | Confident | 87.8 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 70% | 0.699 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.6 | -176.4 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | N74 | N74-S115 PolarHBondContact ND2-O 3.26Š|
| 116 | D | 77.9 | Confident | 87.9 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 13.4 | 178.5 | -66.1 | -64.2 | 0 | 0 | 0 | 112.2 | T114 | T114-D116 VanDerWaalsContact C-N 3.27Å; T114-D116 PolarHBondContact O-N 2.99Å |
| 117 | G | 86.7 | Confident | 88 | Confident | 5 Ų | 5 | 49 Ų | 49 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 164.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V109 R111 T114 | V109-G117 CarbonylContact O-C 3.52Å; V109-G117 VanDerWaalsContact O-C 3.3Å; V109-G117 VanDerWaalsContact O-CA 3.24Å; V109-G117 WeakPolarHBondContact O-CA 3.21Å; R111-G117 VanDerWaalsContact O-CA 3.3Å; R111-G117 WeakPolarHBondContact O-CA 3.47Å; T114-G117 PolarHBondContact O-N 3.13Å; T114-G117 VanDerWaalsContact O-N 3.17Å; T114-G117 WeakPolarHBondContact OG1-CA 3.37Å; T114-G117 PolarHBondContact OG1-N 3.09Å |
| 118 | A | 91.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -61 | 152.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D19 F73 V109 L110 R111 P112 R124 | D19-A118 HydrophobicContact CB-CB 4.39Å; D19-A118 WeakPolarHBondContact OD2-CA 3.38Å; F73-A118 HydrophobicContact CD2-CB 4.3Å; F73-A118 HydrophobicContact CE2-CB 3.88Å; V109-A118 PolarHBondContact O-N 2.82Å; L110-A118 WeakPolarHBondContact O-CB 3.47Å; R111-A118 PolarHBondContact O-N 2.81Å; P112-A118 VanDerWaalsContact CA-O 3.3Å; P112-A118 WeakPolarHBondContact CA-O 3.45Å; A118-R124 HydrophobicContact CB-CG 3.8Å |
| 119 | R | 88.1 | Confident | 88.6 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 138.8 | 172.1 | -70.6 | 174.2 | -74.2 | 172.7 | -0.4 | 109.2 | E17 G18 D19 R53 Q55 L122 | E17-R119 IonicContact OE1-NH1 2.91Å; G18-R119 PolarHBondContact O-NH2 2.94Å; D19-R119 IonicContact OD1-CZ 3.1Å; D19-R119 IonicContact OD1-NE 3.99Å; D19-R119 PolarHBondContact OD1-NE 3.19Å; D19-R119 IonicContact OD1-NH2 3.57Å; D19-R119 PolarHBondContact OD1-NH2 2.96Å; D19-R119 WeakPolarHBondContact OD2-CB 3.23Å; D19-R119 PolarHBondContact OD2-N 2.89Å; D19-R119 IonicContact OD2-NE 2.64Å; R53-R119 PolarHBondContact O-NH1 3.45Å; Q55-R119 PolarHBondContact O-NH1 3.44Å; Q55-R119 PolarHBondContact O-NH2 3.04Å; R119-L122 HydrophobicContact CB-CB 4.38Å; R119-L122 HydrophobicContact CB-CD1 3.71Å; R119-L122 HydrophobicContact CB-CG 4.25Å; R119-L122 HydrophobicContact CG-CD1 4.3Å |
| 120 | E | 82.8 | Confident | 88.6 | Confident | 168 Ų | 168 | 37.7 Ų | 37.7 | 79% | 0.785 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 140 | 176.4 | -167.3 | 171.8 | -174.6 | 0 | 0 | 110.6 | P112 L122 | P112-E120 HydrophobicContact CB-CB 4.11Å; P112-E120 HydrophobicContact CB-CG 4.35Å; E120-L122 PolarHBondContact O-N 2.97Å |
| 121 | G | 75.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 38.2 Ų | 38.2 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 0.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R220 | G121-R220 PolarHBondContact O-NH1 2.98Å; G121-R220 VanDerWaalsContact O-NH1 3.16Å |
| 122 | L | 82.7 | Confident | 87.6 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -103.4 | 155.8 | 178.2 | -67.5 | -177.2 | 0 | 0 | 0 | 112.8 | E17 R119 E120 R124 | E17-L122 HydrophobicContact CG-CD1 3.75Å; E17-L122 HydrophobicContact CG-CD2 4Å; R119-L122 HydrophobicContact CB-CB 4.38Å; R119-L122 HydrophobicContact CB-CD1 3.71Å; R119-L122 HydrophobicContact CB-CG 4.25Å; R119-L122 HydrophobicContact CG-CD1 4.3Å; E120-L122 PolarHBondContact O-N 2.97Å; L122-R124 PolarHBondContact O-N 3.49Å |
| 123 | P | 88.2 | Confident | 87.4 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.045 | 21% | 0.207 | C | C | . | . | trans | -57.7 | 136 | 173.5 | -20 | 27.9 | 0 | 0 | 0 | 111.5 | G18 D19 I200 E203 | G18-P123 WeakPolarHBondContact CA-O 3.14Å; D19-P123 PolarHBondContact N-O 2.77Å; P123-I200 HydrophobicContact CB-CG1 4.4Å; P123-E203 WeakPolarHBondContact CA-OE1 3.4Å; P123-E203 HydrophobicContact CB-CG 4.3Å; P123-E203 HydrophobicContact CG-CB 3.94Å; P123-E203 HydrophobicContact CG-CG 3.86Å | ||
| 124 | R | 93.4 | Very high | 87.7 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 11% | 0.106 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128 | 176.4 | -68.6 | 171.9 | -63.8 | 157.6 | 4.6 | 109.7 | D19 L110 A118 L122 E148 V150 A151 | D19-R124 HydrophobicContact CB-CG 4.42Å; D19-R124 CarbonylContact O-C 3.57Å; D19-R124 WeakPolarHBondContact O-CA 3.41Å; L110-R124 HydrophobicContact CD2-CB 4.32Å; L110-R124 WeakPolarHBondContact O-CD 3.46Å; L110-R124 PolarHBondContact O-NH1 2.76Å; A118-R124 HydrophobicContact CB-CG 3.8Å; L122-R124 PolarHBondContact O-N 3.49Å; R124-E148 PolarHBondContact NH2-O 3.45Å; R124-V150 HydrophobicContact CB-CG1 4.46Å; R124-V150 HydrophobicContact CB-CG2 4.13Å; R124-V150 WeakPolarHBondContact O-CA 3.45Å; R124-A151 PolarHBondContact O-N 3.28Å |
| 125 | V | 96.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.5 | -179 | -170.8 | 0 | 0 | 0 | 0 | 109.1 | D19 V20 L21 V127 A151 L153 I196 I199 I200 | D19-V125 PolarHBondContact O-N 2.8Å; V20-V125 CarbonylContact C-O 3.6Å; V20-V125 WeakPolarHBondContact CA-O 3.34Å; V20-V125 HydrophobicContact CG1-CB 4.34Å; V20-V125 HydrophobicContact CG2-CB 4.32Å; L21-V125 PolarHBondContact N-O 3.45Å; V125-V127 HydrophobicContact CG1-CG2 4.05Å; V125-A151 CarbonylContact C-O 3.51Å; V125-A151 WeakPolarHBondContact CA-O 3.21Å; V125-L153 HydrophobicContact CG1-CD1 3.47Å; V125-L153 VanDerWaalsContact CG1-CD1 3.47Å; V125-I196 HydrophobicContact CG1-CG1 4.49Å; V125-I199 HydrophobicContact CG2-CB 4.38Å; V125-I199 HydrophobicContact CG2-CG2 3.68Å; V125-I200 HydrophobicContact CG2-CG1 4.25Å |
| 126 | L | 98.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.4 | 168.3 | 178.8 | 65.7 | 0 | 0 | 0 | 108.4 | L21 L23 L102 L110 M142 L145 V150 A151 V152 L153 | L21-L126 HydrophobicContact CB-CD1 4.07Å; L21-L126 HydrophobicContact CD2-CD1 3.93Å; L21-L126 HydrophobicContact CG-CD1 3.85Å; L21-L126 CarbonylContact O-C 3.45Å; L21-L126 WeakPolarHBondContact O-CA 3.37Å; L23-L126 HydrophobicContact CB-CD1 3.93Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L110-L126 HydrophobicContact CD1-CB 4.5Å; L126-M142 HydrophobicContact CD2-CE 4.21Å; L126-M142 HydrophobicContact CD2-SD 3.94Å; L126-L145 HydrophobicContact CD2-CD1 3.85Å; L126-V150 HydrophobicContact CB-CG1 3.89Å; L126-A151 PolarHBondContact N-O 3.09Å; L126-V152 HydrophobicContact CB-CG2 4.45Å; L126-V152 WeakPolarHBondContact O-CA 3.38Å; L126-L153 PolarHBondContact O-N 2.97Å |
| 127 | V | 98.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115 | 173.4 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | V20 L21 F22 L23 V125 L129 L153 L192 I196 | V20-V127 HydrophobicContact CG1-CG2 4.04Å; L21-V127 PolarHBondContact O-N 2.82Å; F22-V127 CarbonylContact C-O 3.46Å; F22-V127 WeakPolarHBondContact CA-O 3.42Å; F22-V127 HydrophobicContact CD1-CB 3.66Å; F22-V127 HydrophobicContact CD1-CG1 4.04Å; F22-V127 HydrophobicContact CD1-CG2 4.31Å; F22-V127 HydrophobicContact CE1-CB 3.71Å; F22-V127 HydrophobicContact CE1-CG1 3.94Å; F22-V127 HydrophobicContact CE1-CG2 3.92Å; F22-V127 HydrophobicContact CZ-CG2 4.5Å; L23-V127 PolarHBondContact N-O 2.88Å; V125-V127 HydrophobicContact CG1-CG2 4.05Å; V127-L129 HydrophobicContact CG1-CD1 3.86Å; V127-L153 CarbonylContact C-O 3.56Å; V127-L153 WeakPolarHBondContact CA-O 3.44Å; V127-L192 HydrophobicContact CG1-CD2 4.23Å; V127-I196 HydrophobicContact CG2-CD1 3.99Å; V127-I196 HydrophobicContact CG2-CG1 4.3Å |
| 128 | W | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119 | -178.7 | -178.4 | 23.1 | 0 | 0 | 0 | 111.1 | L23 T98 T130 P135 V138 M142 L153 V154 V155 L165 V168 | L23-W128 HydrophobicContact CB-CB 4.32Å; L23-W128 HydrophobicContact CB-CG 4.4Å; L23-W128 HydrophobicContact CD2-CB 4.42Å; L23-W128 HydrophobicContact CD2-CD2 4.41Å; L23-W128 HydrophobicContact CD2-CG 3.93Å; L23-W128 HydrophobicContact CG-CG 4.36Å; L23-W128 WeakPolarHBondContact O-CA 3.4Å; T98-W128 HydrophobicContact CG2-CH2 4.18Å; T98-W128 HydrophobicContact CG2-CZ2 3.57Å; W128-T130 HydrophobicContact CD2-CG2 4.12Å; W128-T130 HydrophobicContact CH2-CG2 4.42Å; W128-T130 HydrophobicContact CZ2-CG2 3.82Å; W128-P135 HydrophobicContact CH2-CB 3.64Å; W128-P135 HydrophobicContact CH2-CG 4.41Å; W128-P135 HydrophobicContact CZ2-CB 3.85Å; W128-V138 HydrophobicContact CH2-CG1 4.15Å; W128-V138 HydrophobicContact CH2-CG2 4.22Å; W128-V138 HydrophobicContact CZ3-CG2 4.22Å; W128-M142 HydrophobicContact CD2-CE 4.04Å; W128-M142 HydrophobicContact CE3-CE 3.46Å; W128-M142 VanDerWaalsContact CE3-CE 3.46Å; W128-M142 HydrophobicContact CZ3-CE 3.98Å; W128-L153 PolarHBondContact N-O 3.11Å; W128-V154 HydrophobicContact CB-CG2 4.23Å; W128-V154 HydrophobicContact CE3-CG1 4.44Å; W128-V154 HydrophobicContact CE3-CG2 3.87Å; W128-V154 CarbonylContact O-C 3.59Å; W128-V154 WeakPolarHBondContact O-CA 3.49Å; W128-V155 PolarHBondContact O-N 2.83Å; W128-L165 HydrophobicContact CE3-CD2 4.34Å; W128-L165 HydrophobicContact CH2-CD2 4.05Å; W128-L165 HydrophobicContact CZ3-CD2 3.61Å; W128-V168 HydrophobicContact CZ3-CG2 4.37Å |
| 129 | L | 97.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.2 | 176.5 | -70.8 | 81.1 | 0 | 0 | 0 | 108.7 | F22 L23 L24 D25 M38 F41 L42 V127 V155 M185 | F22-L129 HydrophobicContact CD1-CD1 3.89Å; L23-L129 PolarHBondContact O-N 3.15Å; L24-L129 HydrophobicContact CD1-CB 4.09Å; L24-L129 HydrophobicContact CD1-CD2 4.42Å; D25-L129 VanDerWaalsContact CB-O 3.24Å; D25-L129 WeakPolarHBondContact CB-O 3.34Å; D25-L129 PolarHBondContact N-O 3.48Å; M38-L129 HydrophobicContact CB-CD2 4.19Å; M38-L129 HydrophobicContact CG-CD2 4.36Å; M38-L129 HydrophobicContact SD-CB 3.98Å; F41-L129 HydrophobicContact CD1-CD2 3.91Å; F41-L129 HydrophobicContact CE1-CD2 4.23Å; L42-L129 HydrophobicContact CD1-CD2 4.39Å; L42-L129 HydrophobicContact CD2-CD1 3.86Å; L42-L129 HydrophobicContact CD2-CD2 3.72Å; L42-L129 HydrophobicContact CD2-CG 4.48Å; L42-L129 HydrophobicContact CG-CD2 3.94Å; V127-L129 HydrophobicContact CG1-CD1 3.86Å; L129-V155 WeakPolarHBondContact CA-O 3.22Å; L129-V155 HydrophobicContact CG-CB 4.36Å; L129-M185 HydrophobicContact CD2-CE 4.1Å |
| 130 | T | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 148.4 | -174.8 | -178.8 | 0 | 0 | 0 | 0 | 114 | D25 W128 G132 V155 S156 T157 | D25-T130 PolarHBondContact OD2-OG1 3.18Å; W128-T130 HydrophobicContact CD2-CG2 4.12Å; W128-T130 HydrophobicContact CH2-CG2 4.42Å; W128-T130 HydrophobicContact CZ2-CG2 3.82Å; T130-G132 PolarHBondContact O-N 3.03Å; T130-G132 PolarHBondContact OG1-N 3.2Å; T130-V155 PolarHBondContact N-O 2.75Å; T130-V155 VanDerWaalsContact N-O 3.08Å; T130-S156 WeakPolarHBondContact O-CA 3.24Å; T130-S156 PolarHBondContact O-OG 3.37Å; T130-T157 PolarHBondContact O-N 3.48Å |
| 131 | D | 88.1 | Confident | 90.8 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | trans | -75.5 | -9.3 | 167.6 | 71 | -3 | 0 | 0 | 0 | 112.6 | S29 V30 V133 G158 | S29-D131 WeakPolarHBondContact CB-OD2 3.39Å; S29-D131 PolarHBondContact OG-OD2 3.47Å; V30-D131 HydrophobicContact CG2-CB 4.19Å; D131-V133 PolarHBondContact OD1-N 3.48Å; D131-G158 VanDerWaalsContact O-CA 3.31Å; D131-G158 WeakPolarHBondContact O-CA 3.22Å | ||
| 132 | G | 80.2 | Confident | 91.7 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | trans | 82.3 | 6.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T130 K134 S160 | T130-G132 PolarHBondContact O-N 3.03Å; T130-G132 PolarHBondContact OG1-N 3.2Å; G132-K134 PolarHBondContact O-N 3.35Å; G132-S160 WeakPolarHBondContact CA-OG 3.45Å | ||
| 133 | V | 82.3 | Confident | 92.1 | Very high | 63 Ų | 63 | 30.3 Ų | 30.3 | 38% | 0.382 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -81.5 | 115.1 | -174.8 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | D131 | D131-V133 PolarHBondContact OD1-N 3.48Š|
| 134 | K | 83.4 | Confident | 92.4 | Very high | 175 Ų | 175 | 34.2 Ų | 34.2 | 76% | 0.761 | 20% | 0.2 | S | C | * | . | trans | 48.1 | 56.3 | 173.5 | -60.3 | 179.1 | -179.3 | 175.9 | 0 | 114.1 | G132 G136 | G132-K134 PolarHBondContact O-N 3.35Å; K134-G136 PolarHBondContact O-N 3.38Å | ||
| 135 | P | 83.8 | Confident | 92.4 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | trans | -66.7 | -10 | -178.5 | 28.9 | -36.6 | 0 | 0 | 0 | 114.3 | T98 W128 V138 | T98-P135 VanDerWaalsContact CB-O 3.27Å; T98-P135 WeakPolarHBondContact CB-O 3.18Å; T98-P135 PolarHBondContact OG1-O 3.35Å; W128-P135 HydrophobicContact CH2-CB 3.64Å; W128-P135 HydrophobicContact CH2-CG 4.41Å; W128-P135 HydrophobicContact CZ2-CB 3.85Å; P135-V138 HydrophobicContact CB-CG1 4.16Å; P135-V138 WeakPolarHBondContact O-CG1 3.44Å | ||
| 136 | G | 89.4 | Confident | 92.1 | Very high | 50 Ų | 50 | 36.4 Ų | 36.4 | 52% | 0.515 | 21% | 0.208 | S | C | . | . | trans | 77.2 | -165.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K134 V138 | K134-G136 PolarHBondContact O-N 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å | ||
| 137 | D | 94 | Very high | 91.4 | Very high | 115 Ų | 115 | 44.3 Ų | 44.3 | 62% | 0.615 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -84 | 88.8 | 177.1 | -174.1 | 7.2 | 0 | 0 | 0 | 111 | V99 I139 | V99-D137 WeakPolarHBondContact CG2-O 3.39Å; D137-I139 PolarHBondContact OD1-N 3.13Å |
| 138 | V | 95 | Very high | 90.7 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | trans | -92.7 | -10 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | T98 L102 W128 P135 G136 M142 V164 V168 | T98-V138 HydrophobicContact CG2-CG1 3.86Å; L102-V138 HydrophobicContact CD1-CB 3.99Å; L102-V138 HydrophobicContact CD1-CG1 3.83Å; W128-V138 HydrophobicContact CH2-CG1 4.15Å; W128-V138 HydrophobicContact CH2-CG2 4.22Å; W128-V138 HydrophobicContact CZ3-CG2 4.22Å; P135-V138 HydrophobicContact CB-CG1 4.16Å; P135-V138 WeakPolarHBondContact O-CG1 3.44Å; G136-V138 PolarHBondContact O-N 3.37Å; V138-M142 HydrophobicContact CB-CG 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.23Å; V138-M142 WeakPolarHBondContact O-CB 3.35Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.17Å; V138-V164 HydrophobicContact CG2-CG1 3.85Å; V138-V168 HydrophobicContact CG2-CG1 3.97Å | ||
| 139 | I | 95 | Very high | 90 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -50.7 | -171 | -65.7 | 169.1 | 0 | 0 | 0 | 110.8 | D137 A143 V164 E167 V168 | D137-I139 PolarHBondContact OD1-N 3.13Å; I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 3.3Å; I139-V164 HydrophobicContact CG1-CG1 4.28Å; I139-E167 WeakPolarHBondContact CD1-OE2 3.38Å; I139-V168 HydrophobicContact CG1-CG1 4.32Å |
| 140 | G | 95.9 | Very high | 89.8 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -57.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M142 A143 E144 | G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; G140-A143 WeakPolarHBondContact O-CB 3.28Å; G140-A143 PolarHBondContact O-N 3.41Å; G140-A143 VanDerWaalsContact O-N 3.09Å; G140-E144 WeakPolarHBondContact O-CG 3.34Å; G140-E144 PolarHBondContact O-N 2.97Å |
| 141 | P | 96.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57 | -38.7 | 179.8 | -27.8 | 34.7 | 0 | 0 | 0 | 114.3 | V99 L102 L145 | V99-P141 HydrophobicContact CG1-CG 4.34Å; L102-P141 HydrophobicContact CB-CB 4.08Å; L102-P141 HydrophobicContact CD1-CB 4.02Å; P141-L145 PolarHBondContact O-N 3.3Å; P141-L145 VanDerWaalsContact O-N 3.13Å |
| 142 | M | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.1 | -37 | 177.2 | -69.6 | -70.5 | -157.2 | 0 | 0 | 112.1 | L102 L126 W128 V138 G140 L145 R146 V152 V168 | L102-M142 HydrophobicContact CD1-CE 3.9Å; L102-M142 HydrophobicContact CD1-CG 4Å; L102-M142 HydrophobicContact CD1-SD 4.13Å; L102-M142 HydrophobicContact CD2-CE 3.48Å; L102-M142 VanDerWaalsContact CD2-CE 3.48Å; L102-M142 HydrophobicContact CD2-SD 3.63Å; L102-M142 HydrophobicContact CG-CE 4.3Å; L126-M142 HydrophobicContact CD2-CE 4.21Å; L126-M142 HydrophobicContact CD2-SD 3.94Å; W128-M142 HydrophobicContact CD2-CE 4.04Å; W128-M142 HydrophobicContact CE3-CE 3.46Å; W128-M142 VanDerWaalsContact CE3-CE 3.46Å; W128-M142 HydrophobicContact CZ3-CE 3.98Å; V138-M142 HydrophobicContact CB-CG 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.23Å; V138-M142 WeakPolarHBondContact O-CB 3.35Å; V138-M142 WeakPolarHBondContact O-CG 3.41Å; V138-M142 PolarHBondContact O-N 3.17Å; G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.9Å; M142-L145 PolarHBondContact O-N 2.95Å; M142-L145 HydrophobicContact SD-CD1 4.28Å; M142-R146 WeakPolarHBondContact O-CG 3.13Å; M142-R146 PolarHBondContact O-N 3.39Å; M142-R146 VanDerWaalsContact O-N 3.09Å; M142-V152 HydrophobicContact CE-CG1 4.31Å; M142-V152 HydrophobicContact SD-CG1 3.93Å; M142-V152 HydrophobicContact SD-CG2 4.28Å; M142-V168 HydrophobicContact CB-CB 3.76Å; M142-V168 HydrophobicContact CB-CG1 3.81Å; M142-V168 HydrophobicContact CG-CB 3.79Å; M142-V168 HydrophobicContact CG-CG1 3.84Å |
| 143 | A | 91.3 | Very high | 91.1 | Very high | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I139 G140 L145 R146 E147 | I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 3.3Å; G140-A143 WeakPolarHBondContact O-CB 3.28Å; G140-A143 PolarHBondContact O-N 3.41Å; G140-A143 VanDerWaalsContact O-N 3.09Å; A143-L145 PolarHBondContact O-N 2.97Å; A143-R146 PolarHBondContact O-N 2.54Å; A143-E147 WeakPolarHBondContact O-CG 3.27Å; A143-E147 PolarHBondContact O-N 3.25Å |
| 144 | E | 93.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 47 Ų | 47 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.9 | -68.2 | 175.7 | -164.2 | 0 | 0 | 112.5 | K106 G140 R146 E147 E148 | K106-E144 IonicContact NZ-OE2 2.99Å; K106-E144 PolarHBondContact NZ-OE2 3.03Å; G140-E144 WeakPolarHBondContact O-CG 3.34Å; G140-E144 PolarHBondContact O-N 2.97Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.21Å; E144-E147 PolarHBondContact O-N 3.38Å; E144-E148 PolarHBondContact O-N 2.64Å |
| 145 | L | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -43 | 175.3 | -79.6 | 170.9 | 0 | 0 | 0 | 111.9 | L102 K106 L110 L126 P141 M142 A143 E148 G149 V150 | L102-L145 HydrophobicContact CD2-CD1 4.08Å; K106-L145 HydrophobicContact CB-CD2 3.71Å; K106-L145 HydrophobicContact CB-CG 4.35Å; K106-L145 HydrophobicContact CG-CD2 3.85Å; L110-L145 HydrophobicContact CD1-CD2 3.7Å; L126-L145 HydrophobicContact CD2-CD1 3.85Å; P141-L145 PolarHBondContact O-N 3.3Å; P141-L145 VanDerWaalsContact O-N 3.13Å; M142-L145 PolarHBondContact O-N 2.95Å; M142-L145 HydrophobicContact SD-CD1 4.28Å; A143-L145 PolarHBondContact O-N 2.97Å; L145-E148 PolarHBondContact O-N 3.01Å; L145-G149 PolarHBondContact O-N 3.37Å; L145-V150 HydrophobicContact CB-CB 4.28Å; L145-V150 HydrophobicContact CD2-CG2 4.22Å; L145-V150 VanDerWaalsContact O-CB 3.27Å; L145-V150 WeakPolarHBondContact O-CB 3.32Å; L145-V150 WeakPolarHBondContact O-CG2 3.42Å; L145-V150 PolarHBondContact O-N 2.82Å |
| 146 | R | 89.6 | Confident | 93 | Very high | 74 Ų | 74 | 37.5 Ų | 37.5 | 28% | 0.279 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.6 | -38.8 | 176.9 | -67.8 | -174.1 | -44.7 | -119.1 | 1.1 | 112.7 | M142 A143 E144 E148 G149 V150 V152 E167 V168 | M142-R146 WeakPolarHBondContact O-CG 3.13Å; M142-R146 PolarHBondContact O-N 3.39Å; M142-R146 VanDerWaalsContact O-N 3.09Å; A143-R146 PolarHBondContact O-N 2.54Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 3.21Å; R146-E148 PolarHBondContact O-N 3.31Å; R146-G149 WeakPolarHBondContact O-CA 3.34Å; R146-G149 PolarHBondContact O-N 3.39Å; R146-V150 WeakPolarHBondContact CA-O 3.42Å; R146-V152 HydrophobicContact CG-CB 4.5Å; R146-V152 HydrophobicContact CG-CG2 3.83Å; R146-E167 PolarHBondContact NH1-O 2.95Å; R146-E167 PolarHBondContact NH2-O 3.13Å; R146-V168 PolarHBondContact NH1-O 3.48Å |
| 147 | E | 83.9 | Confident | 92.9 | Very high | 166 Ų | 166 | 36 Ų | 36 | 78% | 0.776 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.9 | -34.2 | 173.8 | -75.8 | 178.3 | 178.3 | 0 | 0 | 111.7 | A143 E144 G149 | A143-E147 WeakPolarHBondContact O-CG 3.27Å; A143-E147 PolarHBondContact O-N 3.25Å; E144-E147 PolarHBondContact O-N 3.38Å; E147-G149 PolarHBondContact O-N 3.4Å |
| 148 | E | 84.4 | Confident | 92.1 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -3 | 172.8 | -72.5 | -175.5 | -163.4 | 0 | 0 | 113.5 | K106 R124 E144 L145 R146 | K106-E148 WeakPolarHBondContact CE-OE1 3.45Å; K106-E148 IonicContact NZ-OE1 3.21Å; K106-E148 PolarHBondContact NZ-OE1 2.93Å; R124-E148 PolarHBondContact NH2-O 3.45Å; E144-E148 PolarHBondContact O-N 2.64Å; L145-E148 PolarHBondContact O-N 3.01Å; R146-E148 PolarHBondContact O-N 3.31Å |
| 149 | G | 83.5 | Confident | 90.8 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 25.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L145 R146 E147 | L145-G149 PolarHBondContact O-N 3.37Å; R146-G149 WeakPolarHBondContact O-CA 3.34Å; R146-G149 PolarHBondContact O-N 3.39Å; E147-G149 PolarHBondContact O-N 3.4Å |
| 150 | V | 92.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.4 | 169.1 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L110 R124 L126 L145 R146 | L110-V150 HydrophobicContact CB-CG2 4.42Å; L110-V150 HydrophobicContact CD1-CG1 4.02Å; L110-V150 HydrophobicContact CD1-CG2 4.26Å; L110-V150 HydrophobicContact CD2-CG1 4.39Å; R124-V150 HydrophobicContact CB-CG1 4.46Å; R124-V150 HydrophobicContact CB-CG2 4.13Å; R124-V150 WeakPolarHBondContact O-CA 3.45Å; L126-V150 HydrophobicContact CB-CG1 3.89Å; L145-V150 HydrophobicContact CB-CB 4.28Å; L145-V150 HydrophobicContact CD2-CG2 4.22Å; L145-V150 VanDerWaalsContact O-CB 3.27Å; L145-V150 WeakPolarHBondContact O-CB 3.32Å; L145-V150 WeakPolarHBondContact O-CG2 3.42Å; L145-V150 PolarHBondContact O-N 2.82Å; R146-V150 WeakPolarHBondContact CA-O 3.42Å |
| 151 | A | 94.3 | Very high | 89 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R124 V125 L126 T170 I199 | R124-A151 PolarHBondContact O-N 3.28Å; V125-A151 CarbonylContact C-O 3.51Å; V125-A151 WeakPolarHBondContact CA-O 3.21Å; L126-A151 PolarHBondContact N-O 3.09Å; A151-T170 WeakPolarHBondContact CA-OG1 3.36Å; A151-I199 HydrophobicContact CB-CD1 3.87Å; A151-I199 HydrophobicContact CB-CG1 4.34Å; A151-I199 HydrophobicContact CB-CG2 3.59Å |
| 152 | V | 97 | Very high | 88.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.1 | -176 | -179.5 | 0 | 0 | 0 | 0 | 110 | L126 M142 R146 V154 V168 V169 T170 | L126-V152 HydrophobicContact CB-CG2 4.45Å; L126-V152 WeakPolarHBondContact O-CA 3.38Å; M142-V152 HydrophobicContact CE-CG1 4.31Å; M142-V152 HydrophobicContact SD-CG1 3.93Å; M142-V152 HydrophobicContact SD-CG2 4.28Å; R146-V152 HydrophobicContact CG-CB 4.5Å; R146-V152 HydrophobicContact CG-CG2 3.83Å; V152-V154 HydrophobicContact CG1-CG2 4.45Å; V152-V168 WeakPolarHBondContact CG1-O 3.34Å; V152-V169 WeakPolarHBondContact O-CA 3.49Å; V152-T170 PolarHBondContact N-OG1 3.35Å; V152-T170 PolarHBondContact O-N 2.87Å |
| 153 | L | 98.2 | Very high | 88 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.9 | 172 | -62.2 | 73.4 | 0 | 0 | 0 | 109 | V125 L126 V127 W128 H176 L192 A195 I196 I199 | V125-L153 HydrophobicContact CG1-CD1 3.47Å; V125-L153 VanDerWaalsContact CG1-CD1 3.47Å; L126-L153 PolarHBondContact O-N 2.97Å; V127-L153 CarbonylContact C-O 3.56Å; V127-L153 WeakPolarHBondContact CA-O 3.44Å; W128-L153 PolarHBondContact N-O 3.11Å; L153-H176 CarbonylContact C-O 3.47Å; L153-H176 WeakPolarHBondContact CA-O 3.4Å; L153-H176 HydrophobicContact CB-CB 4.47Å; L153-H176 HydrophobicContact CG-CB 3.96Å; L153-L192 HydrophobicContact CB-CD1 4.21Å; L153-L192 HydrophobicContact CD2-CD1 3.53Å; L153-A195 HydrophobicContact CD2-CB 3.86Å; L153-I196 HydrophobicContact CD2-CG1 4.2Å; L153-I199 HydrophobicContact CD1-CD1 3.55Å; L153-I199 HydrophobicContact CD2-CD1 4.35Å; L153-I199 HydrophobicContact CG-CD1 4.35Å |
| 154 | V | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.3 | -178.6 | 177.4 | 0 | 0 | 0 | 0 | 110 | W128 V152 L165 V168 V169 H176 L177 H178 | W128-V154 HydrophobicContact CB-CG2 4.23Å; W128-V154 HydrophobicContact CE3-CG1 4.44Å; W128-V154 HydrophobicContact CE3-CG2 3.87Å; W128-V154 CarbonylContact O-C 3.59Å; W128-V154 WeakPolarHBondContact O-CA 3.49Å; V152-V154 HydrophobicContact CG1-CG2 4.45Å; V154-L165 HydrophobicContact CG1-CD1 4.01Å; V154-L165 HydrophobicContact CG1-CD2 4.17Å; V154-V168 HydrophobicContact CG2-CG2 4.17Å; V154-V169 HydrophobicContact CB-CG1 3.75Å; V154-V169 HydrophobicContact CG2-CG1 3.49Å; V154-V169 VanDerWaalsContact CG2-CG1 3.49Å; V154-H176 PolarHBondContact N-O 2.73Å; V154-L177 HydrophobicContact CB-CD1 3.82Å; V154-L177 HydrophobicContact CG1-CD1 3.92Å; V154-L177 WeakPolarHBondContact O-CA 3.37Å; V154-H178 PolarHBondContact O-N 3.18Å |
| 155 | V | 96.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.3 | 167.2 | -179 | 0 | 0 | 0 | 0 | 107.6 | W128 L129 T130 V180 M185 I188 L192 | W128-V155 PolarHBondContact O-N 2.83Å; L129-V155 WeakPolarHBondContact CA-O 3.22Å; L129-V155 HydrophobicContact CG-CB 4.36Å; T130-V155 PolarHBondContact N-O 2.75Å; T130-V155 VanDerWaalsContact N-O 3.08Å; V155-V180 HydrophobicContact CG1-CG1 4.08Å; V155-M185 HydrophobicContact CG1-CE 3.68Å; V155-I188 HydrophobicContact CB-CD1 4.36Å; V155-I188 HydrophobicContact CG1-CD1 3.55Å; V155-I188 HydrophobicContact CG2-CD1 3.87Å; V155-L192 HydrophobicContact CG2-CD1 4.34Å; V155-L192 HydrophobicContact CG2-CD2 3.63Å |
| 156 | S | 94.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.3 | -179 | -151 | 0 | 0 | 0 | 0 | 113.2 | T130 S160 H178 F179 V180 | T130-S156 WeakPolarHBondContact O-CA 3.24Å; T130-S156 PolarHBondContact O-OG 3.37Å; S156-S160 WeakPolarHBondContact OG-CB 3.17Å; S156-S160 PolarHBondContact OG-OG 3.21Å; S156-H178 PolarHBondContact N-O 2.93Å; S156-F179 WeakPolarHBondContact O-CA 3.23Å; S156-V180 PolarHBondContact O-N 3.19Å |
| 157 | T | 88.8 | Confident | 87.8 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | trans | -106.1 | 3.5 | -173.9 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | T130 V180 I182 M185 | T130-T157 PolarHBondContact O-N 3.48Å; T157-V180 VanDerWaalsContact CA-O 3.26Å; T157-V180 WeakPolarHBondContact CA-O 3.42Å; T157-I182 HydrophobicContact CG2-CD1 3.81Å; T157-M185 HydrophobicContact CG2-CE 4.1Å; T157-M185 HydrophobicContact CG2-CG 4.18Å; T157-M185 HydrophobicContact CG2-SD 3.89Å | ||
| 158 | G | 75.6 | Confident | 88.2 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -135.5 | -166.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D131 S160 | D131-G158 VanDerWaalsContact O-CA 3.31Å; D131-G158 WeakPolarHBondContact O-CA 3.22Å; G158-S160 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-OG 2.88Å |
| 159 | H | 67.9 | Low | 88.6 | Confident | 207 Ų | 207 | 47 Ų | 47 | 96% | 0.958 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -83.6 | 58.4 | -177.5 | -66.3 | 86.2 | 0 | 0 | 0 | 111.7 | ||
| 160 | S | 73.1 | Confident | 88.8 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | trans | -77.5 | 155 | -174 | -26.6 | 0 | 0 | 0 | 0 | 111.2 | G132 S156 G158 Y162 | G132-S160 WeakPolarHBondContact CA-OG 3.45Å; S156-S160 WeakPolarHBondContact OG-CB 3.17Å; S156-S160 PolarHBondContact OG-OG 3.21Å; G158-S160 PolarHBondContact O-N 2.85Å; G158-S160 PolarHBondContact O-OG 2.88Å; S160-Y162 PolarHBondContact O-N 2.93Å | ||
| 161 | N | 81.3 | Confident | 88.3 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | trans | -73.8 | 97.6 | 178.5 | -171.8 | -17.1 | 0 | 0 | 0 | 110.7 | K163 V164 L165 | N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.08Å; N161-K163 WeakPolarHBondContact OD1-CB 3.17Å; N161-K163 PolarHBondContact OD1-N 3.49Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; N161-V164 HydrophobicContact CB-CB 4.24Å; N161-V164 HydrophobicContact CB-CG2 4.08Å; N161-V164 PolarHBondContact O-N 2.84Å; N161-L165 PolarHBondContact O-N 3.45Å | ||
| 162 | Y | 84.9 | Confident | 87.9 | Confident | 118 Ų | 118 | 52.8 Ų | 52.8 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -48.1 | -37.7 | 177.2 | 176.4 | -92.2 | 0 | 0 | 0 | 113.3 | S160 L165 R166 L177 F179 | S160-Y162 PolarHBondContact O-N 2.93Å; Y162-L165 PolarHBondContact O-N 3.29Å; Y162-R166 HydrophobicContact CE1-CB 4.31Å; Y162-R166 WeakPolarHBondContact O-CB 3.5Å; Y162-R166 PolarHBondContact O-N 3.45Å; Y162-L177 HydrophobicContact CD2-CD2 4.26Å; Y162-L177 HydrophobicContact CE2-CD2 4.01Å; Y162-F179 HydrophobicContact CD2-CD2 4.4Å; Y162-F179 AromaticContact CD2-CE2 3.52Å; Y162-F179 HydrophobicContact CD2-CE2 3.52Å; Y162-F179 AromaticContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CE2-CE2 4.15Å |
| 163 | K | 86.8 | Confident | 87.2 | Confident | 157 Ų | 157 | 54.1 Ų | 54.1 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | -180 | -64.5 | -175.8 | 178.3 | -178.9 | 0 | 111.6 | N161 E167 | N161-K163 PolarHBondContact O-N 3.45Å; N161-K163 VanDerWaalsContact O-N 3.08Å; N161-K163 WeakPolarHBondContact OD1-CB 3.17Å; N161-K163 PolarHBondContact OD1-N 3.49Å; N161-K163 VanDerWaalsContact OD1-N 3.09Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.36Å |
| 164 | V | 89.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -47.5 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | V138 I139 N161 R166 E167 V168 | V138-V164 HydrophobicContact CG2-CG1 3.85Å; I139-V164 HydrophobicContact CG1-CG1 4.28Å; N161-V164 HydrophobicContact CB-CB 4.24Å; N161-V164 HydrophobicContact CB-CG2 4.08Å; N161-V164 PolarHBondContact O-N 2.84Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.13Å; V164-E167 PolarHBondContact O-N 2.89Å; V164-E167 VanDerWaalsContact O-N 3.13Å; V164-V168 PolarHBondContact O-N 2.92Å |
| 165 | L | 91.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | -176.8 | -64.3 | -172 | 0 | 0 | 0 | 113 | W128 V154 N161 Y162 E167 V168 V169 L177 F179 | W128-L165 HydrophobicContact CE3-CD2 4.34Å; W128-L165 HydrophobicContact CH2-CD2 4.05Å; W128-L165 HydrophobicContact CZ3-CD2 3.61Å; V154-L165 HydrophobicContact CG1-CD1 4.01Å; V154-L165 HydrophobicContact CG1-CD2 4.17Å; N161-L165 PolarHBondContact O-N 3.45Å; Y162-L165 PolarHBondContact O-N 3.29Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 2.77Å; L165-V168 HydrophobicContact CD2-CG2 4.33Å; L165-V168 VanDerWaalsContact O-CG2 3.24Å; L165-V168 WeakPolarHBondContact O-CG2 3.1Å; L165-V168 PolarHBondContact O-N 3.48Å; L165-V169 PolarHBondContact O-N 2.89Å; L165-L177 HydrophobicContact CB-CD1 3.74Å; L165-L177 HydrophobicContact CB-CD2 4.2Å; L165-L177 HydrophobicContact CD1-CD1 4.28Å; L165-F179 HydrophobicContact CB-CZ 4.4Å; L165-F179 HydrophobicContact CD1-CE1 4.02Å; L165-F179 HydrophobicContact CD1-CZ 3.82Å |
| 166 | R | 90.8 | Very high | 85.9 | Confident | 143 Ų | 143 | 65.3 Ų | 65.3 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -33.8 | 173.1 | 175.4 | 176.3 | 177.5 | -163.6 | 0.3 | 112.9 | Y162 V164 V173 L177 | Y162-R166 HydrophobicContact CE1-CB 4.31Å; Y162-R166 WeakPolarHBondContact O-CB 3.5Å; Y162-R166 PolarHBondContact O-N 3.45Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 3.13Å; R166-V173 HydrophobicContact CG-CG1 4.09Å; R166-V173 HydrophobicContact CG-CG2 4.14Å; R166-L177 HydrophobicContact CB-CD2 4.25Å |
| 167 | E | 90.8 | Very high | 86 | Confident | 106 Ų | 106 | 66 Ų | 66 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -78.3 | -21.5 | -179.1 | -74 | 179.1 | -156.3 | 0 | 0 | 113 | I139 R146 K163 V164 L165 | I139-E167 WeakPolarHBondContact CD1-OE2 3.38Å; R146-E167 PolarHBondContact NH1-O 2.95Å; R146-E167 PolarHBondContact NH2-O 3.13Å; K163-E167 WeakPolarHBondContact O-CG 3.38Å; K163-E167 PolarHBondContact O-N 3.36Å; V164-E167 PolarHBondContact O-N 2.89Å; V164-E167 VanDerWaalsContact O-N 3.13Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 2.77Å |
| 168 | V | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -93.4 | -24.5 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 114.4 | W128 V138 I139 M142 R146 V152 V154 V164 L165 | W128-V168 HydrophobicContact CZ3-CG2 4.37Å; V138-V168 HydrophobicContact CG2-CG1 3.97Å; I139-V168 HydrophobicContact CG1-CG1 4.32Å; M142-V168 HydrophobicContact CB-CB 3.76Å; M142-V168 HydrophobicContact CB-CG1 3.81Å; M142-V168 HydrophobicContact CG-CB 3.79Å; M142-V168 HydrophobicContact CG-CG1 3.84Å; R146-V168 PolarHBondContact NH1-O 3.48Å; V152-V168 WeakPolarHBondContact CG1-O 3.34Å; V154-V168 HydrophobicContact CG2-CG2 4.17Å; V164-V168 PolarHBondContact O-N 2.92Å; L165-V168 HydrophobicContact CD2-CG2 4.33Å; L165-V168 VanDerWaalsContact O-CG2 3.24Å; L165-V168 WeakPolarHBondContact O-CG2 3.1Å; L165-V168 PolarHBondContact O-N 3.48Å |
| 169 | V | 92.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -74.2 | 151.6 | 178.8 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | V152 V154 L165 V173 H176 L177 | V152-V169 WeakPolarHBondContact O-CA 3.49Å; V154-V169 HydrophobicContact CB-CG1 3.75Å; V154-V169 HydrophobicContact CG2-CG1 3.49Å; V154-V169 VanDerWaalsContact CG2-CG1 3.49Å; L165-V169 PolarHBondContact O-N 2.89Å; V169-V173 HydrophobicContact CG2-CB 4.36Å; V169-V173 HydrophobicContact CG2-CG1 4.12Å; V169-V173 HydrophobicContact CG2-CG2 4.02Å; V169-H176 HydrophobicContact CB-CB 4.32Å; V169-L177 HydrophobicContact CG1-CB 4.09Å; V169-L177 HydrophobicContact CG1-CD1 4.3Å; V169-L177 HydrophobicContact CG2-CB 4.2Å |
| 170 | T | 88.3 | Confident | 88.3 | Confident | 31 Ų | 31 | 60 Ų | 60 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71 | 138.9 | 168.2 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | A151 V152 H176 | A151-T170 WeakPolarHBondContact CA-OG1 3.36Å; V152-T170 PolarHBondContact N-OG1 3.35Å; V152-T170 PolarHBondContact O-N 2.87Å; T170-H176 WeakPolarHBondContact O-CB 3.44Å; T170-H176 PolarHBondContact O-ND1 2.96Å |
| 171 | P | 81.6 | Confident | 89.3 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -65.8 | 154.5 | 172.4 | -23.8 | 34.9 | 0 | 0 | 0 | 113.2 | H176 | P171-H176 PolarHBondContact O-CE1 2.81Å; P171-H176 PolarHBondContact O-ND1 2.85Å |
| 172 | P | 86.1 | Confident | 89.9 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | cis | -73.7 | 137.4 | -4.6 | 29.3 | -33.4 | 0 | 0 | 0 | 112.5 | E174 N175 H176 | P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 HydrophobicContact CB-CG 4.24Å; P172-E174 WeakPolarHBondContact CB-OE1 3.43Å; P172-E174 PolarHBondContact O-N 3.31Å; P172-N175 HydrophobicContact CG-CB 4.17Å; P172-N175 PolarHBondContact O-N 3.49Å; P172-H176 PolarHBondContact O-N 2.69Å; P172-H176 PolarHBondContact O-ND1 2.84Å |
| 173 | V | 82.9 | Confident | 90.3 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -39.1 | -172.3 | 174.5 | 0 | 0 | 0 | 0 | 111 | R166 V169 N175 H176 L177 | R166-V173 HydrophobicContact CG-CG1 4.09Å; R166-V173 HydrophobicContact CG-CG2 4.14Å; V169-V173 HydrophobicContact CG2-CB 4.36Å; V169-V173 HydrophobicContact CG2-CG1 4.12Å; V169-V173 HydrophobicContact CG2-CG2 4.02Å; V173-N175 PolarHBondContact O-N 3.43Å; V173-N175 VanDerWaalsContact O-N 3.17Å; V173-H176 PolarHBondContact O-N 2.7Å; V173-H176 VanDerWaalsContact O-N 3.13Å; V173-L177 HydrophobicContact CG1-CB 3.96Å; V173-L177 HydrophobicContact CG1-CD2 3.9Å; V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.06Å |
| 174 | E | 85.1 | Confident | 90.6 | Very high | 139 Ų | 139 | 54.3 Ų | 54.3 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.7 | -25.7 | -178.8 | 57.2 | -89.9 | -153.4 | 0 | 0 | 114.2 | P172 | P172-E174 VanDerWaalsContact C-N 3.31Å; P172-E174 HydrophobicContact CB-CG 4.24Å; P172-E174 WeakPolarHBondContact CB-OE1 3.43Å; P172-E174 PolarHBondContact O-N 3.31Å |
| 175 | N | 86.3 | Confident | 90.8 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -100 | -16 | 179.6 | -63.2 | -9.6 | 0 | 0 | 0 | 112.9 | P172 V173 H178 | P172-N175 HydrophobicContact CG-CB 4.17Å; P172-N175 PolarHBondContact O-N 3.49Å; V173-N175 PolarHBondContact O-N 3.43Å; V173-N175 VanDerWaalsContact O-N 3.17Å; N175-H178 PolarHBondContact O-NE2 2.66Å |
| 176 | H | 93.2 | Very high | 90.8 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -117.6 | -6.6 | -169.7 | -61 | 162 | 0 | 0 | 0 | 113.1 | L153 V154 V169 T170 P171 P172 V173 | L153-H176 CarbonylContact C-O 3.47Å; L153-H176 WeakPolarHBondContact CA-O 3.4Å; L153-H176 HydrophobicContact CB-CB 4.47Å; L153-H176 HydrophobicContact CG-CB 3.96Å; V154-H176 PolarHBondContact N-O 2.73Å; V169-H176 HydrophobicContact CB-CB 4.32Å; T170-H176 WeakPolarHBondContact O-CB 3.44Å; T170-H176 PolarHBondContact O-ND1 2.96Å; P171-H176 PolarHBondContact O-CE1 2.81Å; P171-H176 PolarHBondContact O-ND1 2.85Å; P172-H176 PolarHBondContact O-N 2.69Å; P172-H176 PolarHBondContact O-ND1 2.84Å; V173-H176 PolarHBondContact O-N 2.7Å; V173-H176 VanDerWaalsContact O-N 3.13Å |
| 177 | L | 95.4 | Very high | 91 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 111.7 | 176.3 | -179.8 | 57.7 | 0 | 0 | 0 | 110 | V154 Y162 L165 R166 V169 V173 F179 | V154-L177 HydrophobicContact CB-CD1 3.82Å; V154-L177 HydrophobicContact CG1-CD1 3.92Å; V154-L177 WeakPolarHBondContact O-CA 3.37Å; Y162-L177 HydrophobicContact CD2-CD2 4.26Å; Y162-L177 HydrophobicContact CE2-CD2 4.01Å; L165-L177 HydrophobicContact CB-CD1 3.74Å; L165-L177 HydrophobicContact CB-CD2 4.2Å; L165-L177 HydrophobicContact CD1-CD1 4.28Å; R166-L177 HydrophobicContact CB-CD2 4.25Å; V169-L177 HydrophobicContact CG1-CB 4.09Å; V169-L177 HydrophobicContact CG1-CD1 4.3Å; V169-L177 HydrophobicContact CG2-CB 4.2Å; V173-L177 HydrophobicContact CG1-CB 3.96Å; V173-L177 HydrophobicContact CG1-CD2 3.9Å; V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.06Å; L177-F179 HydrophobicContact CD1-CD2 4.49Å; L177-F179 HydrophobicContact CD1-CE2 3.76Å; L177-F179 HydrophobicContact CD1-CZ 4.17Å; L177-F179 HydrophobicContact CD2-CE2 3.77Å; L177-F179 HydrophobicContact CD2-CZ 4.42Å; L177-F179 HydrophobicContact CG-CD2 4.25Å; L177-F179 HydrophobicContact CG-CE2 3.61Å; L177-F179 HydrophobicContact CG-CZ 4.43Å |
| 178 | H | 95.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.1 | 178.3 | -59.5 | -78.3 | 0 | 0 | 0 | 111.1 | V154 S156 N175 I188 | V154-H178 PolarHBondContact O-N 3.18Å; S156-H178 PolarHBondContact N-O 2.93Å; N175-H178 PolarHBondContact O-NE2 2.66Å; H178-I188 HydrophobicContact CB-CD1 3.67Å; H178-I188 HydrophobicContact CB-CG2 4.32Å |
| 179 | F | 93.3 | Very high | 91.3 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.3 | 166.6 | -69 | -94.8 | 0 | 0 | 0 | 107.6 | S156 Y162 L165 L177 | S156-F179 WeakPolarHBondContact O-CA 3.23Å; Y162-F179 HydrophobicContact CD2-CD2 4.4Å; Y162-F179 AromaticContact CD2-CE2 3.52Å; Y162-F179 HydrophobicContact CD2-CE2 3.52Å; Y162-F179 AromaticContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CD2-CZ 3.9Å; Y162-F179 HydrophobicContact CE2-CE2 4.15Å; L165-F179 HydrophobicContact CB-CZ 4.4Å; L165-F179 HydrophobicContact CD1-CE1 4.02Å; L165-F179 HydrophobicContact CD1-CZ 3.82Å; L177-F179 HydrophobicContact CD1-CD2 4.49Å; L177-F179 HydrophobicContact CD1-CE2 3.76Å; L177-F179 HydrophobicContact CD1-CZ 4.17Å; L177-F179 HydrophobicContact CD2-CE2 3.77Å; L177-F179 HydrophobicContact CD2-CZ 4.42Å; L177-F179 HydrophobicContact CG-CD2 4.25Å; L177-F179 HydrophobicContact CG-CE2 3.61Å; L177-F179 HydrophobicContact CG-CZ 4.43Å |
| 180 | V | 93.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | trans | -147.3 | 147.6 | -173.6 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | V155 S156 T157 D184 M185 I188 | V155-V180 HydrophobicContact CG1-CG1 4.08Å; S156-V180 PolarHBondContact O-N 3.19Å; T157-V180 VanDerWaalsContact CA-O 3.26Å; T157-V180 WeakPolarHBondContact CA-O 3.42Å; V180-D184 VanDerWaalsContact CG2-C 3.46Å; V180-D184 HydrophobicContact CG2-CB 3.87Å; V180-D184 WeakPolarHBondContact CG2-O 3.45Å; V180-M185 HydrophobicContact CG1-CB 4.43Å; V180-M185 HydrophobicContact CG1-CG 3.84Å; V180-I188 HydrophobicContact CG1-CD1 4Å | ||
| 181 | D | 92.8 | Very high | 91.5 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | trans | -63.6 | 149.4 | 169.1 | -165.3 | -68.8 | 0 | 0 | 0 | 109.8 | D183 D184 M185 | D181-D183 PolarHBondContact O-N 2.62Å; D181-D183 PolarHBondContact OD1-N 3.33Å; D181-D184 HydrophobicContact CB-CB 4.17Å; D181-D184 PolarHBondContact O-N 3.45Å; D181-M185 PolarHBondContact O-N 2.81Å | ||
| 182 | I | 93.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.2 | 178.5 | -168.6 | 71.8 | 0 | 0 | 0 | 112.5 | Y33 E34 R37 M38 T157 D184 M185 | Y33-I182 HydrophobicContact CE1-CG2 4.3Å; E34-I182 HydrophobicContact CB-CD1 3.85Å; E34-I182 HydrophobicContact CB-CG1 3.97Å; E34-I182 HydrophobicContact CG-CB 4.23Å; E34-I182 HydrophobicContact CG-CD1 4.07Å; E34-I182 HydrophobicContact CG-CG1 3.75Å; E34-I182 HydrophobicContact CG-CG2 4.28Å; R37-I182 HydrophobicContact CB-CD1 3.89Å; R37-I182 HydrophobicContact CB-CG1 3.64Å; R37-I182 HydrophobicContact CG-CG1 4.06Å; M38-I182 HydrophobicContact CG-CD1 3.94Å; T157-I182 HydrophobicContact CG2-CD1 3.81Å; I182-D184 VanDerWaalsContact C-N 3.35Å; I182-M185 HydrophobicContact CD1-SD 3.81Å |
| 183 | D | 93.7 | Very high | 92.6 | Very high | 75 Ų | 75 | 53.5 Ų | 53.5 | 40% | 0.401 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -26.4 | 179.7 | -69.7 | -25.6 | 0 | 0 | 0 | 112.1 | Y33 R37 D181 | Y33-D183 WeakPolarHBondContact CE1-OD1 3.49Å; Y33-D183 PolarHBondContact OH-OD1 2.94Å; R37-D183 IonicContact NE-OD1 3.93Å; R37-D183 PolarHBondContact NH2-O 3.01Å; D181-D183 PolarHBondContact O-N 2.62Å; D181-D183 PolarHBondContact OD1-N 3.33Å |
| 184 | D | 94.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.9 | -173.7 | -70.1 | -31.6 | 0 | 0 | 0 | 114.1 | V180 D181 I182 G186 I187 | V180-D184 VanDerWaalsContact CG2-C 3.46Å; V180-D184 HydrophobicContact CG2-CB 3.87Å; V180-D184 WeakPolarHBondContact CG2-O 3.45Å; D181-D184 HydrophobicContact CB-CB 4.17Å; D181-D184 PolarHBondContact O-N 3.45Å; I182-D184 VanDerWaalsContact C-N 3.35Å; D184-G186 PolarHBondContact O-N 3.05Å; D184-I187 HydrophobicContact CB-CD1 3.83Å; D184-I187 HydrophobicContact CB-CG1 4.4Å; D184-I187 WeakPolarHBondContact O-CB 3.2Å; D184-I187 VanDerWaalsContact O-CG1 3.29Å; D184-I187 WeakPolarHBondContact O-CG1 3.29Å; D184-I187 PolarHBondContact O-N 2.85Å |
| 185 | M | 93.2 | Very high | 93 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -51.9 | -28.4 | 179 | -67 | -172.1 | 82.2 | 0 | 0 | 113.5 | M38 F41 L129 V155 T157 V180 D181 I182 I187 I188 | M38-M185 HydrophobicContact CG-CE 4.27Å; M38-M185 HydrophobicContact CG-SD 4.05Å; F41-M185 HydrophobicContact CB-CB 4.24Å; F41-M185 HydrophobicContact CB-CE 4.13Å; F41-M185 HydrophobicContact CB-SD 4.14Å; F41-M185 HydrophobicContact CD1-CE 3.52Å; F41-M185 HydrophobicContact CD2-CB 3.75Å; F41-M185 HydrophobicContact CD2-CE 4.37Å; F41-M185 WeakPolarHBondContact CD2-O 3.25Å; F41-M185 HydrophobicContact CE1-CE 3.95Å; F41-M185 HydrophobicContact CE2-CB 4.32Å; F41-M185 WeakPolarHBondContact CE2-O 3.17Å; F41-M185 HydrophobicContact CG-CB 4.06Å; F41-M185 HydrophobicContact CG-CE 3.74Å; F41-M185 HydrophobicContact CG-SD 4.3Å; L129-M185 HydrophobicContact CD2-CE 4.1Å; V155-M185 HydrophobicContact CG1-CE 3.68Å; T157-M185 HydrophobicContact CG2-CE 4.1Å; T157-M185 HydrophobicContact CG2-CG 4.18Å; T157-M185 HydrophobicContact CG2-SD 3.89Å; V180-M185 HydrophobicContact CG1-CB 4.43Å; V180-M185 HydrophobicContact CG1-CG 3.84Å; D181-M185 PolarHBondContact O-N 2.81Å; I182-M185 HydrophobicContact CD1-SD 3.81Å; M185-I187 PolarHBondContact O-N 3.08Å; M185-I187 VanDerWaalsContact O-N 3.13Å; M185-I188 WeakPolarHBondContact O-CG1 3.31Å; M185-I188 PolarHBondContact O-N 3.31Å |
| 186 | G | 91.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 43% | 0.433 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -57.3 | -24.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D184 I188 T189 | D184-G186 PolarHBondContact O-N 3.05Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 2.93Å; G186-T189 WeakPolarHBondContact CA-OG1 3.27Å; G186-T189 PolarHBondContact O-N 2.89Å; G186-T189 PolarHBondContact O-OG1 3.38Å |
| 187 | I | 93.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -64.7 | -38.9 | 179.9 | -61.6 | 177.2 | 0 | 0 | 0 | 111 | D184 M185 | D184-I187 HydrophobicContact CB-CD1 3.83Å; D184-I187 HydrophobicContact CB-CG1 4.4Å; D184-I187 WeakPolarHBondContact O-CB 3.2Å; D184-I187 VanDerWaalsContact O-CG1 3.29Å; D184-I187 WeakPolarHBondContact O-CG1 3.29Å; D184-I187 PolarHBondContact O-N 2.85Å; M185-I187 PolarHBondContact O-N 3.08Å; M185-I187 VanDerWaalsContact O-N 3.13Å |
| 188 | I | 95.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -91.1 | -3.8 | -175.6 | 63.4 | 161.7 | 0 | 0 | 0 | 113.1 | F41 V155 H178 V180 M185 G186 K190 D191 L192 | F41-I188 HydrophobicContact CE2-CD1 4.41Å; F41-I188 HydrophobicContact CE2-CG1 3.96Å; F41-I188 HydrophobicContact CZ-CD1 4.09Å; F41-I188 HydrophobicContact CZ-CG1 4.09Å; V155-I188 HydrophobicContact CB-CD1 4.36Å; V155-I188 HydrophobicContact CG1-CD1 3.55Å; V155-I188 HydrophobicContact CG2-CD1 3.87Å; H178-I188 HydrophobicContact CB-CD1 3.67Å; H178-I188 HydrophobicContact CB-CG2 4.32Å; V180-I188 HydrophobicContact CG1-CD1 4Å; M185-I188 WeakPolarHBondContact O-CG1 3.31Å; M185-I188 PolarHBondContact O-N 3.31Å; G186-I188 VanDerWaalsContact C-N 3.34Å; G186-I188 PolarHBondContact O-N 2.93Å; I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 3.37Å; I188-D191 PolarHBondContact O-N 2.99Å; I188-L192 WeakPolarHBondContact O-CB 3.24Å; I188-L192 PolarHBondContact O-N 3.26Å |
| 189 | T | 95.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.4 | -43.8 | -174.9 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | F41 E44 L45 G186 R193 | F41-T189 WeakPolarHBondContact CD2-OG1 3.19Å; F41-T189 VanDerWaalsContact CE2-OG1 3.28Å; F41-T189 WeakPolarHBondContact CE2-OG1 2.98Å; E44-T189 HydrophobicContact CB-CG2 4.38Å; L45-T189 HydrophobicContact CB-CG2 4.42Å; L45-T189 HydrophobicContact CD1-CG2 4.41Å; L45-T189 WeakPolarHBondContact CD1-O 3.22Å; G186-T189 WeakPolarHBondContact CA-OG1 3.27Å; G186-T189 PolarHBondContact O-N 2.89Å; G186-T189 PolarHBondContact O-OG1 3.38Å; T189-R193 WeakPolarHBondContact O-CB 3.46Å; T189-R193 PolarHBondContact O-N 3.5Å; T189-R193 VanDerWaalsContact O-N 3.13Å |
| 190 | K | 91 | Very high | 91 | Very high | 133 Ų | 133 | 46.7 Ų | 46.7 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -69.9 | -49.3 | 179.5 | -177 | -179.2 | 173.5 | -176.2 | 0 | 111.5 | I188 L192 R193 D194 | I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 3.37Å; K190-L192 PolarHBondContact O-N 2.75Å; K190-R193 WeakPolarHBondContact O-CB 3.47Å; K190-R193 PolarHBondContact O-N 3.35Å; K190-R193 VanDerWaalsContact O-N 3.16Å; K190-D194 WeakPolarHBondContact O-CB 3.39Å; K190-D194 PolarHBondContact O-N 2.6Å |
| 191 | D | 92.8 | Very high | 89.9 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | -176.1 | -62.8 | -15.7 | 0 | 0 | 0 | 111.3 | I188 R193 D194 A195 | I188-D191 PolarHBondContact O-N 2.99Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.87Å; D191-D194 PolarHBondContact O-N 3.19Å; D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.79Å |
| 192 | L | 96 | Very high | 88.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 176 | -174.9 | 66.1 | 0 | 0 | 0 | 111.6 | F41 L45 V127 L153 V155 I188 K190 A195 I196 | F41-L192 HydrophobicContact CE1-CD2 3.83Å; F41-L192 HydrophobicContact CZ-CD2 3.58Å; L45-L192 HydrophobicContact CD1-CB 4.2Å; L45-L192 HydrophobicContact CD1-CD2 4.19Å; L45-L192 HydrophobicContact CD1-CG 4.23Å; L45-L192 HydrophobicContact CD2-CD2 3.86Å; L45-L192 HydrophobicContact CD2-CG 4.46Å; V127-L192 HydrophobicContact CG1-CD2 4.23Å; L153-L192 HydrophobicContact CB-CD1 4.21Å; L153-L192 HydrophobicContact CD2-CD1 3.53Å; V155-L192 HydrophobicContact CG2-CD1 4.34Å; V155-L192 HydrophobicContact CG2-CD2 3.63Å; I188-L192 WeakPolarHBondContact O-CB 3.24Å; I188-L192 PolarHBondContact O-N 3.26Å; K190-L192 PolarHBondContact O-N 2.75Å; L192-A195 PolarHBondContact O-N 3.47Å; L192-I196 HydrophobicContact CG-CD1 4.25Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.78Å |
| 193 | R | 94.8 | Very high | 86.4 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 175.1 | -170.1 | -174.9 | -63.2 | 140.9 | -1.6 | 110.8 | E44 L45 P48 F49 T189 K190 D191 A195 I196 I197 | E44-R193 PolarHBondContact O-NH2 2.84Å; L45-R193 HydrophobicContact CD1-CB 3.81Å; L45-R193 PolarHBondContact O-NE 3.04Å; P48-R193 VanDerWaalsContact CG-CZ 3.46Å; F49-R193 HydrophobicContact CE2-CG 3.78Å; F49-R193 HydrophobicContact CZ-CG 3.91Å; T189-R193 WeakPolarHBondContact O-CB 3.46Å; T189-R193 PolarHBondContact O-N 3.5Å; T189-R193 VanDerWaalsContact O-N 3.13Å; K190-R193 WeakPolarHBondContact O-CB 3.47Å; K190-R193 PolarHBondContact O-N 3.35Å; K190-R193 VanDerWaalsContact O-N 3.16Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.87Å; R193-A195 VanDerWaalsContact C-N 3.3Å; R193-A195 PolarHBondContact O-N 3.36Å; R193-I196 PolarHBondContact O-N 3.24Å; R193-I197 HydrophobicContact CG-CD1 3.91Å; R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 VanDerWaalsContact O-CG1 3.23Å; R193-I197 WeakPolarHBondContact O-CG1 3.42Å; R193-I197 PolarHBondContact O-N 2.81Å |
| 194 | D | 87.4 | Confident | 85 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | 179.8 | -72.2 | -15.9 | 0 | 0 | 0 | 110.5 | K190 D191 I197 E198 | K190-D194 WeakPolarHBondContact O-CB 3.39Å; K190-D194 PolarHBondContact O-N 2.6Å; D191-D194 PolarHBondContact O-N 3.19Å; D194-I197 PolarHBondContact O-N 3.27Å; D194-E198 WeakPolarHBondContact O-CB 2.96Å; D194-E198 WeakPolarHBondContact O-CG 2.8Å; D194-E198 PolarHBondContact O-N 2.7Å |
| 195 | A | 89.1 | Confident | 84.1 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | L153 D191 L192 R193 I197 E198 I199 | L153-A195 HydrophobicContact CD2-CB 3.86Å; D191-A195 WeakPolarHBondContact O-CB 3.4Å; D191-A195 PolarHBondContact O-N 2.79Å; L192-A195 PolarHBondContact O-N 3.47Å; R193-A195 VanDerWaalsContact C-N 3.3Å; R193-A195 PolarHBondContact O-N 3.36Å; A195-I197 VanDerWaalsContact C-N 3.31Å; A195-I197 PolarHBondContact O-N 2.76Å; A195-E198 PolarHBondContact O-N 2.85Å; A195-I199 WeakPolarHBondContact O-CD1 3.39Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 2.91Å |
| 196 | I | 91.9 | Very high | 83.5 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.9 | -67.7 | 164.7 | 0 | 0 | 0 | 110.2 | V20 L45 F49 V125 V127 L153 L192 R193 I199 I200 | V20-I196 HydrophobicContact CG2-CG2 3.97Å; L45-I196 HydrophobicContact CD2-CD1 4.12Å; F49-I196 HydrophobicContact CZ-CB 4.48Å; F49-I196 HydrophobicContact CZ-CG2 3.98Å; V125-I196 HydrophobicContact CG1-CG1 4.49Å; V127-I196 HydrophobicContact CG2-CD1 3.99Å; V127-I196 HydrophobicContact CG2-CG1 4.3Å; L153-I196 HydrophobicContact CD2-CG1 4.2Å; L192-I196 HydrophobicContact CG-CD1 4.25Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.78Å; R193-I196 PolarHBondContact O-N 3.24Å; I196-I199 PolarHBondContact O-N 3.22Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 4.46Å; I196-I200 WeakPolarHBondContact O-CB 3.49Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.27Å; I196-I200 PolarHBondContact O-N 2.77Å |
| 197 | I | 84.3 | Confident | 83.3 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.8 | -49.9 | 177.6 | -70.7 | 167.3 | 0 | 0 | 0 | 110.1 | L13 F49 R193 D194 A195 I199 I200 K201 | L13-I197 HydrophobicContact CD1-CD1 3.65Å; L13-I197 HydrophobicContact CD2-CD1 4.47Å; F49-I197 HydrophobicContact CE1-CD1 4.49Å; F49-I197 HydrophobicContact CE1-CG1 3.8Å; F49-I197 HydrophobicContact CZ-CD1 4.43Å; F49-I197 HydrophobicContact CZ-CG1 3.88Å; R193-I197 HydrophobicContact CG-CD1 3.91Å; R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 VanDerWaalsContact O-CG1 3.23Å; R193-I197 WeakPolarHBondContact O-CG1 3.42Å; R193-I197 PolarHBondContact O-N 2.81Å; D194-I197 PolarHBondContact O-N 3.27Å; A195-I197 VanDerWaalsContact C-N 3.31Å; A195-I197 PolarHBondContact O-N 2.76Å; I197-I199 VanDerWaalsContact C-N 3.31Å; I197-I199 PolarHBondContact O-N 3.31Å; I197-I200 PolarHBondContact O-N 3.27Å; I197-K201 HydrophobicContact CG2-CD 3.67Å; I197-K201 HydrophobicContact CG2-CG 4.05Å; I197-K201 VanDerWaalsContact CG2-NZ 3.3Å; I197-K201 VanDerWaalsContact O-CB 3.31Å; I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 WeakPolarHBondContact O-CG 3.13Å; I197-K201 PolarHBondContact O-N 2.82Å |
| 198 | E | 80.7 | Confident | 83 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.8 | -40.7 | -179.6 | -76.9 | -58.2 | 123.1 | 0 | 0 | 111.8 | D194 A195 K201 A202 | D194-E198 WeakPolarHBondContact O-CB 2.96Å; D194-E198 WeakPolarHBondContact O-CG 2.8Å; D194-E198 PolarHBondContact O-N 2.7Å; A195-E198 PolarHBondContact O-N 2.85Å; E198-K201 CarbonylContact O-C 3.55Å; E198-K201 PolarHBondContact O-N 2.65Å; E198-A202 VanDerWaalsContact O-CB 3.24Å; E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 2.9Å |
| 199 | I | 83.5 | Confident | 82.6 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 174.9 | -69.6 | 160.7 | 0 | 0 | 0 | 111.3 | V125 A151 L153 A195 I196 I197 K201 A202 | V125-I199 HydrophobicContact CG2-CB 4.38Å; V125-I199 HydrophobicContact CG2-CG2 3.68Å; A151-I199 HydrophobicContact CB-CD1 3.87Å; A151-I199 HydrophobicContact CB-CG1 4.34Å; A151-I199 HydrophobicContact CB-CG2 3.59Å; L153-I199 HydrophobicContact CD1-CD1 3.55Å; L153-I199 HydrophobicContact CD2-CD1 4.35Å; L153-I199 HydrophobicContact CG-CD1 4.35Å; A195-I199 WeakPolarHBondContact O-CD1 3.39Å; A195-I199 WeakPolarHBondContact O-CG1 3.47Å; A195-I199 PolarHBondContact O-N 2.91Å; I196-I199 PolarHBondContact O-N 3.22Å; I197-I199 VanDerWaalsContact C-N 3.31Å; I197-I199 PolarHBondContact O-N 3.31Å; I199-K201 PolarHBondContact O-N 3.5Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-A202 VanDerWaalsContact O-N 3.08Å |
| 200 | I | 82.2 | Confident | 82.5 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -30.6 | 177.8 | -68.7 | 171.5 | 0 | 0 | 0 | 111 | C16 E17 V20 V56 P123 V125 I196 I197 | C16-I200 HydrophobicContact CB-CG2 3.89Å; E17-I200 VanDerWaalsContact O-CG2 3.31Å; E17-I200 WeakPolarHBondContact O-CG2 3.46Å; V20-I200 HydrophobicContact CG2-CD1 3.92Å; V56-I200 HydrophobicContact CG2-CD1 4.2Å; P123-I200 HydrophobicContact CB-CG1 4.4Å; V125-I200 HydrophobicContact CG2-CG1 4.25Å; I196-I200 HydrophobicContact CG2-CD1 3.69Å; I196-I200 HydrophobicContact CG2-CG1 4.46Å; I196-I200 WeakPolarHBondContact O-CB 3.49Å; I196-I200 VanDerWaalsContact O-CG1 3.28Å; I196-I200 WeakPolarHBondContact O-CG1 3.27Å; I196-I200 PolarHBondContact O-N 2.77Å; I197-I200 PolarHBondContact O-N 3.27Å |
| 201 | K | 70.1 | Confident | 82.4 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -83.4 | -21.1 | 174.7 | -67.4 | -174.4 | 176.9 | 159.2 | 0 | 113.7 | C15 I197 E198 I199 E203 R204 | C15-K201 VanDerWaalsContact SG-CE 3.52Å; I197-K201 HydrophobicContact CG2-CD 3.67Å; I197-K201 HydrophobicContact CG2-CG 4.05Å; I197-K201 VanDerWaalsContact CG2-NZ 3.3Å; I197-K201 VanDerWaalsContact O-CB 3.31Å; I197-K201 WeakPolarHBondContact O-CB 3.4Å; I197-K201 WeakPolarHBondContact O-CG 3.13Å; I197-K201 PolarHBondContact O-N 2.82Å; E198-K201 CarbonylContact O-C 3.55Å; E198-K201 PolarHBondContact O-N 2.65Å; I199-K201 PolarHBondContact O-N 3.5Å; K201-E203 VanDerWaalsContact C-N 3.29Å; K201-E203 PolarHBondContact O-N 3.08Å; K201-R204 VanDerWaalsContact CG-CZ 3.4Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 WeakPolarHBondContact O-CD 3.44Å; K201-R204 WeakPolarHBondContact O-CG 3.39Å |
| 202 | A | 54.2 | Low | 82.3 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73 | -21.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | E198 I199 R204 | E198-A202 VanDerWaalsContact O-CB 3.24Å; E198-A202 WeakPolarHBondContact O-CB 3.45Å; E198-A202 PolarHBondContact O-N 2.9Å; I199-A202 PolarHBondContact O-N 3.49Å; I199-A202 VanDerWaalsContact O-N 3.08Å; A202-R204 PolarHBondContact O-N 3.38Å |
| 203 | E | 58 | Low | 82.1 | Confident | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78.9 | 43 | 172.1 | -58.3 | -166.6 | -172.1 | 0 | 0 | 113.1 | P123 K201 R220 | P123-E203 WeakPolarHBondContact CA-OE1 3.4Å; P123-E203 HydrophobicContact CB-CG 4.3Å; P123-E203 HydrophobicContact CG-CB 3.94Å; P123-E203 HydrophobicContact CG-CG 3.86Å; K201-E203 VanDerWaalsContact C-N 3.29Å; K201-E203 PolarHBondContact O-N 3.08Å; E203-R220 IonicContact OE2-NH1 3.38Å; E203-R220 PolarHBondContact OE2-NH1 3.24Å; E203-R220 VanDerWaalsContact OE2-NH1 3.1Å |
| 204 | R | 64.8 | Low | 82 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -110.3 | 172.4 | -173.1 | -81.5 | 179.5 | -175.2 | -169.1 | -9.6 | 114.9 | C15 K201 A202 H206 L280 | C15-R204 PolarHBondContact O-NH2 3.1Å; K201-R204 VanDerWaalsContact CG-CZ 3.4Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 WeakPolarHBondContact O-CD 3.44Å; K201-R204 WeakPolarHBondContact O-CG 3.39Å; A202-R204 PolarHBondContact O-N 3.38Å; R204-H206 PolarHBondContact O-CD2 2.98Å; R204-H206 PolarHBondContact O-N 3.27Å; R204-H206 PolarHBondContact O-NE2 2.92Å; R204-L280 HydrophobicContact CG-CD2 4.42Å |
| 205 | L | 75.8 | Confident | 82.4 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | trans | -53.2 | 114.2 | 169.9 | -178.6 | 67 | 0 | 0 | 0 | 111.6 | L217 H218 W219 V266 L268 L280 T282 | L205-L217 HydrophobicContact CD1-CB 3.96Å; L205-H218 CarbonylContact C-O 3.42Å; L205-W219 HydrophobicContact CD1-CB 4.04Å; L205-W219 HydrophobicContact CD1-CD2 4.44Å; L205-W219 HydrophobicContact CD1-CE3 3.79Å; L205-V266 HydrophobicContact CD2-CG1 3.95Å; L205-L268 HydrophobicContact CD1-CB 4.2Å; L205-L268 HydrophobicContact CD1-CD2 4.08Å; L205-L268 HydrophobicContact CD2-CB 3.86Å; L205-L280 HydrophobicContact CB-CB 3.99Å; L205-L280 HydrophobicContact CB-CD1 4.39Å; L205-T282 HydrophobicContact CD2-CG2 3.87Å; L205-T282 HydrophobicContact CG-CG2 4.11Å | ||
| 206 | H | 80.4 | Confident | 82.6 | Confident | 89 Ų | 89 | 49 Ų | 49 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 141.7 | 177.4 | -62.5 | -59.5 | 0 | 0 | 0 | 111.9 | R204 L217 H218 | R204-H206 PolarHBondContact O-CD2 2.98Å; R204-H206 PolarHBondContact O-N 3.27Å; R204-H206 PolarHBondContact O-NE2 2.92Å; H206-L217 CarbonylContact O-C 3.55Å; H206-L217 WeakPolarHBondContact O-CA 3.19Å; H206-H218 HydrophobicContact CB-CB 4.43Å; H206-H218 PolarHBondContact N-O 3.38Å; H206-H218 PolarHBondContact O-N 2.78Å |
| 207 | V | 87.6 | Confident | 82.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 22% | 0.218 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 128.3 | 170.6 | -167.7 | 0 | 0 | 0 | 0 | 109.3 | V210 A215 S216 L217 T282 F284 | V207-V210 HydrophobicContact CG1-CG2 3.84Å; V207-A215 HydrophobicContact CG1-CB 3.87Å; V207-S216 CarbonylContact C-O 3.5Å; V207-L217 HydrophobicContact CB-CD2 4.41Å; V207-L217 HydrophobicContact CG1-CD2 4.24Å; V207-L217 HydrophobicContact CG2-CD2 3.72Å; V207-T282 HydrophobicContact CG2-CG2 3.54Å; V207-F284 HydrophobicContact CB-CB 4.26Å; V207-F284 HydrophobicContact CB-CG 4.49Å; V207-F284 HydrophobicContact CG1-CB 3.94Å; V207-F284 HydrophobicContact CG1-CD1 3.91Å; V207-F284 HydrophobicContact CG1-CD2 4.2Å; V207-F284 HydrophobicContact CG1-CE1 4.48Å; V207-F284 HydrophobicContact CG1-CG 3.75Å; V207-F284 HydrophobicContact CG2-CB 4.22Å; V207-F284 HydrophobicContact CG2-CD1 4.04Å; V207-F284 HydrophobicContact CG2-CG 4.39Å |
| 208 | R | 86.9 | Confident | 82.9 | Confident | 147 Ų | 147 | 51.1 Ų | 51.1 | 56% | 0.555 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 172 | 179.8 | -62.5 | -172.5 | 178.6 | -172.4 | 1.1 | 110.3 | V210 S216 | R208-V210 PolarHBondContact O-N 3.01Å; R208-V210 VanDerWaalsContact O-N 3.11Å; R208-S216 PolarHBondContact N-O 2.85Å; R208-S216 PolarHBondContact O-N 2.77Å |
| 209 | D | 88.6 | Confident | 83 | Confident | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 23% | 0.234 | S | C | * | . | trans | 51.7 | 37.8 | 173.8 | -50.3 | -45.3 | 0 | 0 | 0 | 114.7 | S211 | D209-S211 PolarHBondContact O-N 3.29Š| ||
| 210 | V | 91.8 | Very high | 82.5 | Confident | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 25% | 0.251 | C | S | . | . | trans | -67.2 | 117.2 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | V207 R208 A215 F284 T285 K287 | V207-V210 HydrophobicContact CG1-CG2 3.84Å; R208-V210 PolarHBondContact O-N 3.01Å; R208-V210 VanDerWaalsContact O-N 3.11Å; V210-A215 HydrophobicContact CG2-CB 4.05Å; V210-F284 HydrophobicContact CG1-CD2 4.17Å; V210-F284 HydrophobicContact CG2-CD2 4.24Å; V210-T285 WeakPolarHBondContact CG1-O 3.24Å; V210-K287 WeakPolarHBondContact O-CD 3.43Å; V210-K287 WeakPolarHBondContact O-CE 3.43Å; V210-K287 PolarHBondContact O-NZ 2.99Å | ||
| 211 | S | 89.9 | Confident | 81.9 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -101.6 | -166.5 | 172.1 | 74.2 | 0 | 0 | 0 | 0 | 110.6 | D209 D213 S214 K287 | D209-S211 PolarHBondContact O-N 3.29Å; S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact OG-N 3.11Å; S211-D213 PolarHBondContact OG-OD1 3.08Å; S211-S214 PolarHBondContact N-O 3.07Å; S211-S214 WeakPolarHBondContact OG-CA 3.32Å; S211-S214 WeakPolarHBondContact OG-CB 3.2Å; S211-S214 PolarHBondContact OG-N 2.83Å; S211-S214 PolarHBondContact OG-O 2.9Å; S211-S214 PolarHBondContact OG-OG 2.8Å; S211-K287 PolarHBondContact O-N 2.8Å | ||
| 212 | T | 90.4 | Very high | 81.7 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -72.1 | -19 | 172.8 | 47 | 0 | 0 | 0 | 0 | 113.4 | P260 K287 P288 | T212-P260 WeakPolarHBondContact O-CA 3.43Å; T212-P260 WeakPolarHBondContact O-CG 3.42Å; T212-K287 WeakPolarHBondContact CA-O 3.21Å; T212-K287 HydrophobicContact CG2-CB 4.02Å; T212-P288 WeakPolarHBondContact CG2-O 3.47Å |
| 213 | D | 91.4 | Very high | 82.2 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 43% | 0.428 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -146.2 | 1.9 | -167 | 62.4 | -15.3 | 0 | 0 | 0 | 113.8 | S211 T256 D257 L258 | S211-D213 VanDerWaalsContact C-N 3.25Å; S211-D213 PolarHBondContact OG-N 3.11Å; S211-D213 PolarHBondContact OG-OD1 3.08Å; D213-T256 CarbonylContact O-C 3.48Å; D213-D257 PolarHBondContact O-N 3.04Å; D213-D257 VanDerWaalsContact O-N 3.14Å; D213-L258 WeakPolarHBondContact CA-O 3.5Å; D213-L258 WeakPolarHBondContact O-CB 3.4Å; D213-L258 WeakPolarHBondContact O-CG 3.47Å; D213-L258 PolarHBondContact O-N 3.18Å |
| 214 | S | 93.7 | Very high | 82.3 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -150.4 | 159.1 | -177.3 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | S211 R254 L255 | S211-S214 PolarHBondContact N-O 3.07Å; S211-S214 WeakPolarHBondContact OG-CA 3.32Å; S211-S214 WeakPolarHBondContact OG-CB 3.2Å; S211-S214 PolarHBondContact OG-N 2.83Å; S211-S214 PolarHBondContact OG-O 2.9Å; S211-S214 PolarHBondContact OG-OG 2.8Å; S214-R254 PolarHBondContact OG-NE 3.39Å; S214-R254 PolarHBondContact OG-NH2 3.07Å; S214-L255 CarbonylContact C-O 3.47Å; S214-L255 WeakPolarHBondContact CA-O 3.43Å; S214-L255 WeakPolarHBondContact CB-O 3.36Å | ||
| 215 | A | 94.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 147.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | V207 V210 L255 L258 F284 | V207-A215 HydrophobicContact CG1-CB 3.87Å; V210-A215 HydrophobicContact CG2-CB 4.05Å; A215-L255 PolarHBondContact N-O 3.39Å; A215-L255 PolarHBondContact O-N 3.44Å; A215-L258 HydrophobicContact CB-CD1 4.25Å; A215-F284 HydrophobicContact CB-CD2 3.91Å; A215-F284 HydrophobicContact CB-CE1 4.33Å; A215-F284 HydrophobicContact CB-CE2 3.33Å; A215-F284 HydrophobicContact CB-CZ 3.58Å |
| 216 | S | 94.3 | Very high | 81.8 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.6 | 179.8 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | V207 R208 H218 V253 | V207-S216 CarbonylContact C-O 3.5Å; R208-S216 PolarHBondContact N-O 2.85Å; R208-S216 PolarHBondContact O-N 2.77Å; S216-H218 PolarHBondContact O-ND1 3.42Å; S216-V253 CarbonylContact C-O 3.6Å; S216-V253 WeakPolarHBondContact CA-O 3.45Å |
| 217 | L | 93.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143 | 170.8 | -49.5 | 175.3 | 0 | 0 | 0 | 110.1 | L205 H206 V207 W219 I232 S252 V253 L255 V266 | L205-L217 HydrophobicContact CD1-CB 3.96Å; H206-L217 CarbonylContact O-C 3.55Å; H206-L217 WeakPolarHBondContact O-CA 3.19Å; V207-L217 HydrophobicContact CB-CD2 4.41Å; V207-L217 HydrophobicContact CG1-CD2 4.24Å; V207-L217 HydrophobicContact CG2-CD2 3.72Å; L217-W219 HydrophobicContact CB-CE3 4.27Å; L217-W219 HydrophobicContact CB-CZ3 4.03Å; L217-I232 HydrophobicContact CD1-CG1 4.5Å; L217-I232 HydrophobicContact CD1-CG2 3.65Å; L217-S252 CarbonylContact O-C 3.51Å; L217-S252 WeakPolarHBondContact O-CA 3.38Å; L217-S252 WeakPolarHBondContact O-CB 3.24Å; L217-V253 HydrophobicContact CB-CG1 4.08Å; L217-V253 HydrophobicContact CD1-CG1 3.91Å; L217-V253 HydrophobicContact CG-CG1 4.28Å; L217-V253 PolarHBondContact N-O 2.92Å; L217-V253 PolarHBondContact O-N 2.85Å; L217-L255 HydrophobicContact CD1-CD1 3.99Å; L217-L255 HydrophobicContact CD1-CD2 4Å; L217-L255 HydrophobicContact CD1-CG 4.09Å; L217-L255 HydrophobicContact CD2-CD1 4.15Å; L217-L255 HydrophobicContact CG-CD1 4.05Å; L217-L255 HydrophobicContact CG-CD2 4.48Å; L217-L255 HydrophobicContact CG-CG 4.08Å; L217-V266 HydrophobicContact CD1-CG1 3.55Å; L217-V266 HydrophobicContact CD2-CG1 4.08Å; L217-V266 HydrophobicContact CD2-CG2 4.33Å; L217-V266 HydrophobicContact CG-CG1 4.47Å |
| 218 | H | 87.7 | Confident | 81.7 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 25% | 0.25 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.9 | 177.2 | -64.1 | 78.3 | 0 | 0 | 0 | 109.3 | L205 H206 S216 N251 | L205-H218 CarbonylContact C-O 3.42Å; H206-H218 HydrophobicContact CB-CB 4.43Å; H206-H218 PolarHBondContact N-O 3.38Å; H206-H218 PolarHBondContact O-N 2.78Å; S216-H218 PolarHBondContact O-ND1 3.42Å; H218-N251 CarbonylContact C-O 3.17Å; H218-N251 WeakPolarHBondContact CA-O 3.43Å |
| 219 | W | 82.8 | Confident | 81.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | trans | -145.7 | 164.4 | -179.5 | 58.7 | 94.6 | 0 | 0 | 0 | 110.8 | L205 L217 Y230 I232 L250 N251 S252 V253 L268 | L205-W219 HydrophobicContact CD1-CB 4.04Å; L205-W219 HydrophobicContact CD1-CD2 4.44Å; L205-W219 HydrophobicContact CD1-CE3 3.79Å; L217-W219 HydrophobicContact CB-CE3 4.27Å; L217-W219 HydrophobicContact CB-CZ3 4.03Å; W219-Y230 AromaticContact CD1-CE1 3.96Å; W219-Y230 AromaticContact CD1-CZ 3.85Å; W219-Y230 AromaticContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CE2 4.45Å; W219-Y230 HydrophobicContact CZ2-CG 4.2Å; W219-Y230 AromaticContact NE1-CD1 3.92Å; W219-Y230 AromaticContact NE1-CD2 3.58Å; W219-Y230 AromaticContact NE1-CE1 3.67Å; W219-Y230 AromaticContact NE1-CE2 3.31Å; W219-Y230 VanDerWaalsContact NE1-CE2 3.31Å; W219-Y230 AromaticContact NE1-CG 3.88Å; W219-Y230 AromaticContact NE1-CZ 3.36Å; W219-I232 HydrophobicContact CH2-CD1 4.43Å; W219-L250 HydrophobicContact CZ2-CB 4.47Å; W219-L250 PolarHBondContact NE1-O 3.2Å; W219-L250 VanDerWaalsContact NE1-O 3.12Å; W219-N251 PolarHBondContact N-O 3.06Å; W219-N251 WeakPolarHBondContact O-CB 3.24Å; W219-S252 VanDerWaalsContact CZ3-CA 3.5Å; W219-V253 HydrophobicContact CH2-CB 3.88Å; W219-V253 HydrophobicContact CH2-CG1 3.76Å; W219-V253 HydrophobicContact CZ3-CB 4.11Å; W219-V253 HydrophobicContact CZ3-CG1 3.63Å; W219-L268 HydrophobicContact CB-CD2 3.64Å; W219-L268 HydrophobicContact CD2-CD1 4.2Å; W219-L268 HydrophobicContact CD2-CD2 3.68Å; W219-L268 HydrophobicContact CE3-CD1 4.38Å; W219-L268 HydrophobicContact CE3-CD2 4.24Å; W219-L268 HydrophobicContact CG-CD2 3.39Å; W219-L268 HydrophobicContact CZ2-CD1 4.35Å | ||
| 220 | R | 74 | Confident | 82 | Confident | 129 Ų | 129 | 39.5 Ų | 39.5 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | trans | -73.4 | 131.4 | 171 | -173.4 | -178.8 | 179.7 | 172.1 | 2.1 | 109.6 | G121 E203 V222 | G121-R220 PolarHBondContact O-NH1 2.98Å; G121-R220 VanDerWaalsContact O-NH1 3.16Å; E203-R220 IonicContact OE2-NH1 3.38Å; E203-R220 PolarHBondContact OE2-NH1 3.24Å; E203-R220 VanDerWaalsContact OE2-NH1 3.1Å; R220-V222 VanDerWaalsContact C-N 3.34Å; R220-V222 PolarHBondContact O-N 3.24Å | ||
| 221 | P | 70 | Confident | 82.2 | Confident | 49 Ų | 49 | 38 Ų | 38 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | trans | -77.6 | 80.7 | -175.9 | 32.1 | -35.7 | 0 | 0 | 0 | 111.9 | L223 S224 Y230 N251 | P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.4Å; P221-S224 WeakPolarHBondContact CB-OG 3.31Å; P221-S224 PolarHBondContact O-OG 3.11Å; P221-Y230 VanDerWaalsContact C-OH 3.32Å; P221-Y230 WeakPolarHBondContact CA-OH 3.32Å; P221-N251 HydrophobicContact CB-CB 4.11Å; P221-N251 HydrophobicContact CG-CB 4.25Å | ||
| 222 | V | 65.5 | Low | 82.4 | Confident | 52 Ų | 52 | 36.7 Ų | 36.7 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.2 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 115.4 | R220 Y230 P270 F277 | R220-V222 VanDerWaalsContact C-N 3.34Å; R220-V222 PolarHBondContact O-N 3.24Å; V222-Y230 HydrophobicContact CG2-CE1 3.89Å; V222-Y230 WeakPolarHBondContact CG2-OH 3.32Å; V222-Y230 PolarHBondContact N-OH 3.41Å; V222-P270 HydrophobicContact CG2-CB 4.04Å; V222-P270 HydrophobicContact CG2-CG 3.97Å; V222-F277 HydrophobicContact CB-CD1 4.19Å; V222-F277 HydrophobicContact CB-CE1 3.89Å; V222-F277 HydrophobicContact CG2-CD1 4.01Å; V222-F277 HydrophobicContact CG2-CE1 4.11Å |
| 223 | L | 64 | Low | 82.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 5.7 | 179.4 | -61.7 | -179.7 | 0 | 0 | 0 | 113.2 | P221 G225 L226 H229 Y230 A248 P270 F277 | P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.4Å; L223-G225 PolarHBondContact O-N 2.79Å; L223-G225 VanDerWaalsContact O-N 3.14Å; L223-L226 HydrophobicContact CD2-CD1 4.39Å; L223-L226 PolarHBondContact O-N 3.33Å; L223-H229 VanDerWaalsContact CD1-C 3.49Å; L223-H229 VanDerWaalsContact CD1-O 3.28Å; L223-H229 WeakPolarHBondContact CD1-O 3.11Å; L223-Y230 HydrophobicContact CB-CE2 4.14Å; L223-Y230 HydrophobicContact CD1-CD1 3.89Å; L223-Y230 HydrophobicContact CD1-CD2 4.17Å; L223-Y230 HydrophobicContact CD1-CE1 3.71Å; L223-Y230 HydrophobicContact CD1-CE2 4Å; L223-Y230 HydrophobicContact CD1-CG 4.11Å; L223-Y230 HydrophobicContact CG-CD1 4.47Å; L223-Y230 HydrophobicContact CG-CE1 3.79Å; L223-Y230 HydrophobicContact CG-CE2 4.23Å; L223-Y230 PolarHBondContact N-OH 2.99Å; L223-A248 HydrophobicContact CB-CB 3.56Å; L223-A248 HydrophobicContact CD1-CB 4.23Å; L223-P270 HydrophobicContact CD1-CB 3.96Å; L223-P270 HydrophobicContact CD2-CB 4.05Å; L223-P270 HydrophobicContact CG-CB 4.01Å; L223-F277 HydrophobicContact CD2-CD2 3.76Å; L223-F277 HydrophobicContact CD2-CE2 3.32Å; L223-F277 HydrophobicContact CD2-CZ 3.89Å |
| 224 | S | 60 | Low | 82.7 | Confident | 63 Ų | 63 | 36.1 Ų | 36.1 | 44% | 0.441 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 118 | 179.3 | -73.9 | 0 | 0 | 0 | 0 | 111.1 | P221 L226 | P221-S224 WeakPolarHBondContact CB-OG 3.31Å; P221-S224 PolarHBondContact O-OG 3.11Å; S224-L226 VanDerWaalsContact C-N 3.33Å |
| 225 | G | 65.4 | Low | 82.7 | Confident | 71 Ų | 71 | 36.1 Ų | 36.1 | 73% | 0.732 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L223 | L223-G225 PolarHBondContact O-N 2.79Å; L223-G225 VanDerWaalsContact O-N 3.14Å |
| 226 | L | 64.5 | Low | 82.5 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 20% | 0.199 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -100.8 | 155 | 173.7 | -59.1 | 177.1 | 0 | 0 | 0 | 111 | L223 S224 G228 E274 I275 F277 | L223-L226 HydrophobicContact CD2-CD1 4.39Å; L223-L226 PolarHBondContact O-N 3.33Å; S224-L226 VanDerWaalsContact C-N 3.33Å; L226-G228 PolarHBondContact O-N 2.87Å; L226-E274 WeakPolarHBondContact CD2-OE2 3.35Å; L226-I275 HydrophobicContact CD1-CD1 4.1Å; L226-F277 HydrophobicContact CD1-CE2 4.04Å; L226-F277 HydrophobicContact CD1-CZ 3.68Å |
| 227 | S | 79.1 | Confident | 81.6 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -77.3 | 117.7 | 166.9 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | S272 N273 | S227-S272 WeakPolarHBondContact O-CA 3.26Å; S227-S272 WeakPolarHBondContact O-CB 3.39Å; S227-S272 PolarHBondContact O-OG 2.87Å; S227-N273 WeakPolarHBondContact CB-OD1 3.19Å; S227-N273 PolarHBondContact O-OD1 3.27Å |
| 228 | G | 86.9 | Confident | 80.3 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -175.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L226 A248 E271 | L226-G228 PolarHBondContact O-N 2.87Å; G228-A248 WeakPolarHBondContact O-CB 3.38Å; G228-E271 CarbonylContact C-O 3.53Å; G228-E271 WeakPolarHBondContact CA-O 3.37Å |
| 229 | H | 92.2 | Very high | 79.6 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161.2 | 173.6 | 67.2 | -79.3 | 0 | 0 | 0 | 111.2 | L223 I245 Q246 E271 | L223-H229 VanDerWaalsContact CD1-C 3.49Å; L223-H229 VanDerWaalsContact CD1-O 3.28Å; L223-H229 WeakPolarHBondContact CD1-O 3.11Å; H229-I245 HydrophobicContact CB-CG2 4.09Å; H229-I245 VanDerWaalsContact CD2-CG2 3.45Å; H229-I245 WeakPolarHBondContact CD2-CG2 3.43Å; H229-Q246 WeakPolarHBondContact CA-O 3.44Å; H229-Q246 WeakPolarHBondContact CB-O 3.48Å; H229-E271 IonicContact CE1-OE2 2.99Å; H229-E271 PolarHBondContact CE1-OE2 3.16Å; H229-E271 PolarHBondContact N-O 2.8Å; H229-E271 IonicContact NE2-OE2 3.53Å; H229-E271 PolarHBondContact NE2-OE2 3.44Å; H229-E271 PolarHBondContact O-N 3.01Å |
| 230 | Y | 90.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.6 | 170.8 | -68.1 | -70.8 | 0 | 0 | 0 | 110 | W219 P221 V222 L223 I245 Q246 S247 L250 L268 P270 | W219-Y230 AromaticContact CD1-CE1 3.96Å; W219-Y230 AromaticContact CD1-CZ 3.85Å; W219-Y230 AromaticContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CD2 3.95Å; W219-Y230 HydrophobicContact CZ2-CE2 4.45Å; W219-Y230 HydrophobicContact CZ2-CG 4.2Å; W219-Y230 AromaticContact NE1-CD1 3.92Å; W219-Y230 AromaticContact NE1-CD2 3.58Å; W219-Y230 AromaticContact NE1-CE1 3.67Å; W219-Y230 AromaticContact NE1-CE2 3.31Å; W219-Y230 VanDerWaalsContact NE1-CE2 3.31Å; W219-Y230 AromaticContact NE1-CG 3.88Å; W219-Y230 AromaticContact NE1-CZ 3.36Å; P221-Y230 VanDerWaalsContact C-OH 3.32Å; P221-Y230 WeakPolarHBondContact CA-OH 3.32Å; V222-Y230 HydrophobicContact CG2-CE1 3.89Å; V222-Y230 WeakPolarHBondContact CG2-OH 3.32Å; V222-Y230 PolarHBondContact N-OH 3.41Å; L223-Y230 HydrophobicContact CB-CE2 4.14Å; L223-Y230 HydrophobicContact CD1-CD1 3.89Å; L223-Y230 HydrophobicContact CD1-CD2 4.17Å; L223-Y230 HydrophobicContact CD1-CE1 3.71Å; L223-Y230 HydrophobicContact CD1-CE2 4Å; L223-Y230 HydrophobicContact CD1-CG 4.11Å; L223-Y230 HydrophobicContact CG-CD1 4.47Å; L223-Y230 HydrophobicContact CG-CE1 3.79Å; L223-Y230 HydrophobicContact CG-CE2 4.23Å; L223-Y230 PolarHBondContact N-OH 2.99Å; Y230-I245 CarbonylContact O-C 3.53Å; Y230-I245 WeakPolarHBondContact O-CA 3.37Å; Y230-Q246 PolarHBondContact N-O 3.13Å; Y230-Q246 PolarHBondContact O-N 3.45Å; Y230-S247 WeakPolarHBondContact CD2-O 3.39Å; Y230-L250 VanDerWaalsContact CE2-O 3.24Å; Y230-L250 WeakPolarHBondContact CE2-O 3.4Å; Y230-L268 HydrophobicContact CD1-CD1 3.83Å; Y230-L268 HydrophobicContact CD1-CD2 4.23Å; Y230-L268 HydrophobicContact CD1-CG 4.13Å; Y230-L268 HydrophobicContact CE1-CD2 4.49Å; Y230-L268 HydrophobicContact CG-CD1 4.04Å; Y230-P270 HydrophobicContact CD1-CB 3.87Å; Y230-P270 HydrophobicContact CD1-CG 4.11Å; Y230-P270 HydrophobicContact CE1-CB 3.7Å; Y230-P270 HydrophobicContact CE1-CG 3.94Å |
| 231 | E | 94.8 | Very high | 80 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119 | 167.5 | 173.5 | 168.1 | 164 | 0 | 0 | 110.2 | R233 R243 L244 L268 I269 | E231-R233 HydrophobicContact CG-CG 4.31Å; E231-R233 IonicContact OE1-CZ 3.13Å; E231-R233 IonicContact OE1-NE 2.67Å; E231-R233 PolarHBondContact OE1-NE 3.24Å; E231-R233 IonicContact OE1-NH2 2.75Å; E231-R233 PolarHBondContact OE1-NH2 3.22Å; E231-R233 IonicContact OE2-NH2 3.97Å; E231-R243 HydrophobicContact CG-CG 4.1Å; E231-R243 WeakPolarHBondContact OE1-CD 3.32Å; E231-R243 IonicContact OE1-CZ 3.4Å; E231-R243 IonicContact OE1-NE 3.05Å; E231-R243 PolarHBondContact OE1-NE 2.68Å; E231-R243 IonicContact OE2-CZ 2.68Å; E231-R243 IonicContact OE2-NE 3.66Å; E231-R243 PolarHBondContact OE2-NE 3.13Å; E231-R243 IonicContact OE2-NH2 2.71Å; E231-R243 PolarHBondContact OE2-NH2 3.2Å; E231-L244 CarbonylContact C-O 3.59Å; E231-L244 WeakPolarHBondContact CA-O 3.11Å; E231-L268 CarbonylContact O-C 3.6Å; E231-I269 HydrophobicContact CB-CB 4.25Å; E231-I269 HydrophobicContact CG-CD1 4.45Å; E231-I269 PolarHBondContact N-O 3.49Å; E231-I269 PolarHBondContact O-N 2.9Å |
| 232 | I | 94.7 | Very high | 81 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.2 | 174.3 | -58 | 92.4 | 0 | 0 | 0 | 109 | L217 W219 F234 R243 L244 Q246 V253 L255 V266 S267 L268 | L217-I232 HydrophobicContact CD1-CG1 4.5Å; L217-I232 HydrophobicContact CD1-CG2 3.65Å; W219-I232 HydrophobicContact CH2-CD1 4.43Å; I232-F234 HydrophobicContact CG2-CD1 4.4Å; I232-R243 CarbonylContact O-C 3.59Å; I232-R243 WeakPolarHBondContact O-CA 3.47Å; I232-L244 HydrophobicContact CB-CB 4.16Å; I232-L244 PolarHBondContact N-O 3.47Å; I232-L244 PolarHBondContact O-N 2.89Å; I232-Q246 HydrophobicContact CD1-CB 4.04Å; I232-Q246 HydrophobicContact CD1-CG 3.54Å; I232-V253 HydrophobicContact CD1-CG1 4.18Å; I232-V253 HydrophobicContact CG1-CG1 4.26Å; I232-L255 HydrophobicContact CG2-CD2 4.42Å; I232-V266 HydrophobicContact CG2-CG1 3.9Å; I232-S267 CarbonylContact C-O 3.54Å; I232-S267 WeakPolarHBondContact CA-O 3.34Å; I232-L268 HydrophobicContact CD1-CD1 3.98Å; I232-L268 HydrophobicContact CG1-CD1 3.56Å |
| 233 | R | 93.9 | Very high | 82.3 | Confident | 114 Ų | 114 | 62.6 Ų | 62.6 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.1 | 171.5 | -63.8 | -177.1 | -178.9 | 168.7 | 7.3 | 109.9 | E231 Q242 V266 S267 I269 | E231-R233 HydrophobicContact CG-CG 4.31Å; E231-R233 IonicContact OE1-CZ 3.13Å; E231-R233 IonicContact OE1-NE 2.67Å; E231-R233 PolarHBondContact OE1-NE 3.24Å; E231-R233 IonicContact OE1-NH2 2.75Å; E231-R233 PolarHBondContact OE1-NH2 3.22Å; E231-R233 IonicContact OE2-NH2 3.97Å; R233-Q242 CarbonylContact C-O 3.54Å; R233-Q242 VanDerWaalsContact CA-O 3.27Å; R233-Q242 WeakPolarHBondContact CA-O 3.44Å; R233-V266 CarbonylContact O-C 3.46Å; R233-V266 VanDerWaalsContact O-CA 3.31Å; R233-V266 WeakPolarHBondContact O-CA 3.09Å; R233-S267 PolarHBondContact N-O 3.16Å; R233-S267 PolarHBondContact O-N 3.14Å; R233-I269 HydrophobicContact CG-CD1 4.39Å |
| 234 | F | 94 | Very high | 83.8 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.7 | 178.4 | 67.4 | -77.6 | 0 | 0 | 0 | 113.3 | I232 Y241 Q242 L244 L255 L258 Y264 S265 V266 | I232-F234 HydrophobicContact CG2-CD1 4.4Å; F234-Y241 VanDerWaalsContact C-CD1 3.47Å; F234-Y241 CarbonylContact O-C 3.42Å; F234-Y241 WeakPolarHBondContact O-CA 3.44Å; F234-Q242 HydrophobicContact CD1-CB 4.05Å; F234-Q242 HydrophobicContact CD2-CB 4.4Å; F234-Q242 HydrophobicContact CE1-CB 3.54Å; F234-Q242 HydrophobicContact CE2-CB 3.97Å; F234-Q242 HydrophobicContact CE2-CG 4.28Å; F234-Q242 HydrophobicContact CG-CB 4.45Å; F234-Q242 HydrophobicContact CZ-CB 3.53Å; F234-Q242 HydrophobicContact CZ-CG 4.16Å; F234-Q242 PolarHBondContact N-O 3.22Å; F234-Q242 PolarHBondContact O-N 2.77Å; F234-L244 HydrophobicContact CD1-CD1 4.22Å; F234-L244 HydrophobicContact CE1-CD1 3.42Å; F234-L244 VanDerWaalsContact CE1-CD1 3.42Å; F234-L244 HydrophobicContact CE1-CG 4.08Å; F234-L244 HydrophobicContact CZ-CD1 4.12Å; F234-L255 HydrophobicContact CB-CD1 4.23Å; F234-L255 HydrophobicContact CD1-CD1 4.42Å; F234-L255 HydrophobicContact CD1-CD2 3.91Å; F234-L255 HydrophobicContact CD2-CD1 4.11Å; F234-L255 HydrophobicContact CE1-CD2 3.91Å; F234-L255 HydrophobicContact CG-CD1 3.99Å; F234-L255 HydrophobicContact CG-CD2 4.31Å; F234-L255 HydrophobicContact CZ-CD2 4.28Å; F234-L258 HydrophobicContact CD2-CD2 4Å; F234-L258 HydrophobicContact CE2-CD2 3.65Å; F234-Y264 HydrophobicContact CD2-CD1 4.23Å; F234-S265 CarbonylContact C-O 3.59Å; F234-S265 WeakPolarHBondContact CA-O 3.36Å; F234-V266 HydrophobicContact CB-CB 4.37Å; F234-V266 HydrophobicContact CB-CG1 4.33Å; F234-V266 HydrophobicContact CB-CG2 3.85Å |
| 235 | G | 93.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | 168.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | S265 | G235-S265 PolarHBondContact N-O 2.76Å; G235-S265 PolarHBondContact O-N 3.02Å |
| 236 | T | 91.9 | Very high | 86.8 | Confident | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | trans | -91.4 | 153.9 | 176.8 | 61 | 0 | 0 | 0 | 0 | 110.4 | G238 S239 T262 Y264 | T236-G238 PolarHBondContact O-N 3.32Å; T236-G238 VanDerWaalsContact O-N 3.08Å; T236-S239 PolarHBondContact O-N 3.48Å; T236-S239 VanDerWaalsContact OG1-CB 3.32Å; T236-S239 WeakPolarHBondContact OG1-CB 3.36Å; T236-S239 PolarHBondContact OG1-OG 3.44Å; T236-S239 VanDerWaalsContact OG1-OG 3.12Å; T236-T262 HydrophobicContact CG2-CG2 3.37Å; T236-Y264 HydrophobicContact CG2-CD1 4.05Å; T236-Y264 HydrophobicContact CG2-CE1 3.82Å; T236-Y264 HydrophobicContact CG2-CE2 4.3Å; T236-Y264 HydrophobicContact CG2-CG 4.39Å | ||
| 237 | S | 74.6 | Confident | 88 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 87% | 0.867 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 118.3 | 176.6 | -167.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 238 | G | 66 | Low | 88.3 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 88% | 0.876 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | 3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117 | T236 | T236-G238 PolarHBondContact O-N 3.32Å; T236-G238 VanDerWaalsContact O-N 3.08Å |
| 239 | S | 73.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 47% | 0.469 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -108.3 | 162 | 173.3 | -68 | 0 | 0 | 0 | 0 | 112.5 | T236 | T236-S239 PolarHBondContact O-N 3.48Å; T236-S239 VanDerWaalsContact OG1-CB 3.32Å; T236-S239 WeakPolarHBondContact OG1-CB 3.36Å; T236-S239 PolarHBondContact OG1-OG 3.44Å; T236-S239 VanDerWaalsContact OG1-OG 3.12Å |
| 240 | Q | 80.1 | Confident | 87.6 | Confident | 189 Ų | 189 | 68.3 Ų | 68.3 | 88% | 0.883 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 134.5 | 170.6 | -76 | -165.8 | -22.8 | 0 | 0 | 110.5 | ||
| 241 | Y | 84.6 | Confident | 87.3 | Confident | 122 Ų | 122 | 72 Ų | 72 | 48% | 0.478 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 132 | 175.3 | -71.2 | -91.2 | 0 | 0 | 0 | 110.1 | F234 | F234-Y241 VanDerWaalsContact C-CD1 3.47Å; F234-Y241 CarbonylContact O-C 3.42Å; F234-Y241 WeakPolarHBondContact O-CA 3.44Å |
| 242 | Q | 90.8 | Very high | 87.1 | Confident | 97 Ų | 97 | 74 Ų | 74 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 146.1 | 166.1 | -62.1 | -172.6 | 27.9 | 0 | 0 | 109.6 | R233 F234 | R233-Q242 CarbonylContact C-O 3.54Å; R233-Q242 VanDerWaalsContact CA-O 3.27Å; R233-Q242 WeakPolarHBondContact CA-O 3.44Å; F234-Q242 HydrophobicContact CD1-CB 4.05Å; F234-Q242 HydrophobicContact CD2-CB 4.4Å; F234-Q242 HydrophobicContact CE1-CB 3.54Å; F234-Q242 HydrophobicContact CE2-CB 3.97Å; F234-Q242 HydrophobicContact CE2-CG 4.28Å; F234-Q242 HydrophobicContact CG-CB 4.45Å; F234-Q242 HydrophobicContact CZ-CB 3.53Å; F234-Q242 HydrophobicContact CZ-CG 4.16Å; F234-Q242 PolarHBondContact N-O 3.22Å; F234-Q242 PolarHBondContact O-N 2.77Å |
| 243 | R | 93.9 | Very high | 87.1 | Confident | 151 Ų | 151 | 74.8 Ų | 74.8 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.3 | -177.1 | -175.5 | -175.9 | -180 | -141.2 | -0.4 | 110.3 | E231 I232 | E231-R243 HydrophobicContact CG-CG 4.1Å; E231-R243 WeakPolarHBondContact OE1-CD 3.32Å; E231-R243 IonicContact OE1-CZ 3.4Å; E231-R243 IonicContact OE1-NE 3.05Å; E231-R243 PolarHBondContact OE1-NE 2.68Å; E231-R243 IonicContact OE2-CZ 2.68Å; E231-R243 IonicContact OE2-NE 3.66Å; E231-R243 PolarHBondContact OE2-NE 3.13Å; E231-R243 IonicContact OE2-NH2 2.71Å; E231-R243 PolarHBondContact OE2-NH2 3.2Å; I232-R243 CarbonylContact O-C 3.59Å; I232-R243 WeakPolarHBondContact O-CA 3.47Å |
| 244 | L | 94.5 | Very high | 87.2 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.6 | 174.8 | -82.6 | 159.1 | 0 | 0 | 0 | 109.2 | E231 I232 F234 L255 | E231-L244 CarbonylContact C-O 3.59Å; E231-L244 WeakPolarHBondContact CA-O 3.11Å; I232-L244 HydrophobicContact CB-CB 4.16Å; I232-L244 PolarHBondContact N-O 3.47Å; I232-L244 PolarHBondContact O-N 2.89Å; F234-L244 HydrophobicContact CD1-CD1 4.22Å; F234-L244 HydrophobicContact CE1-CD1 3.42Å; F234-L244 VanDerWaalsContact CE1-CD1 3.42Å; F234-L244 HydrophobicContact CE1-CG 4.08Å; F234-L244 HydrophobicContact CZ-CD1 4.12Å; L244-L255 HydrophobicContact CD1-CD2 3.55Å |
| 245 | I | 94.9 | Very high | 87.3 | Confident | 89 Ų | 89 | 76.4 Ų | 76.4 | 46% | 0.456 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.4 | 173.6 | -67.3 | 177.7 | 0 | 0 | 0 | 108.5 | H229 Y230 | H229-I245 HydrophobicContact CB-CG2 4.09Å; H229-I245 VanDerWaalsContact CD2-CG2 3.45Å; H229-I245 WeakPolarHBondContact CD2-CG2 3.43Å; Y230-I245 CarbonylContact O-C 3.53Å; Y230-I245 WeakPolarHBondContact O-CA 3.37Å |
| 246 | Q | 93.8 | Very high | 87.3 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 20% | 0.201 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150 | 179 | -65.9 | -60.9 | -23.1 | 0 | 0 | 111.2 | H229 Y230 I232 L250 V253 | H229-Q246 WeakPolarHBondContact CA-O 3.44Å; H229-Q246 WeakPolarHBondContact CB-O 3.48Å; Y230-Q246 PolarHBondContact N-O 3.13Å; Y230-Q246 PolarHBondContact O-N 3.45Å; I232-Q246 HydrophobicContact CD1-CB 4.04Å; I232-Q246 HydrophobicContact CD1-CG 3.54Å; Q246-L250 HydrophobicContact CB-CD1 4.26Å; Q246-V253 HydrophobicContact CG-CB 4.12Å; Q246-V253 HydrophobicContact CG-CG2 3.99Å; Q246-V253 VanDerWaalsContact NE2-CG2 3.25Å |
| 247 | S | 90.4 | Very high | 87.2 | Confident | 66 Ų | 66 | 84.4 Ų | 84.4 | 46% | 0.462 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 145.6 | 176.8 | 177 | 0 | 0 | 0 | 0 | 111.5 | Y230 Q249 L250 | Y230-S247 WeakPolarHBondContact CD2-O 3.39Å; S247-Q249 PolarHBondContact O-N 2.77Å; S247-Q249 VanDerWaalsContact O-N 3.07Å; S247-Q249 PolarHBondContact OG-N 2.98Å; S247-L250 PolarHBondContact O-N 3.22Å |
| 248 | A | 83.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.033 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L223 G228 | L223-A248 HydrophobicContact CB-CB 3.56Å; L223-A248 HydrophobicContact CD1-CB 4.23Å; G228-A248 WeakPolarHBondContact O-CB 3.38Å |
| 249 | Q | 80.4 | Confident | 89.3 | Confident | 122 Ų | 122 | 81.7 Ų | 81.7 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -10.4 | 179.7 | -56.8 | -60.5 | -22.4 | 0 | 0 | 113.4 | S247 | S247-Q249 PolarHBondContact O-N 2.77Å; S247-Q249 VanDerWaalsContact O-N 3.07Å; S247-Q249 PolarHBondContact OG-N 2.98Å |
| 250 | L | 85.8 | Confident | 90.1 | Very high | 67 Ų | 67 | 80.9 Ų | 80.9 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | trans | -88.1 | 147.5 | -179.4 | -66.4 | 176 | 0 | 0 | 0 | 111.4 | W219 Y230 Q246 S247 | W219-L250 HydrophobicContact CZ2-CB 4.47Å; W219-L250 PolarHBondContact NE1-O 3.2Å; W219-L250 VanDerWaalsContact NE1-O 3.12Å; Y230-L250 VanDerWaalsContact CE2-O 3.24Å; Y230-L250 WeakPolarHBondContact CE2-O 3.4Å; Q246-L250 HydrophobicContact CB-CD1 4.26Å; S247-L250 PolarHBondContact O-N 3.22Å | ||
| 251 | N | 83.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -122.4 | 5.5 | 176.9 | 67.1 | -1.6 | 0 | 0 | 0 | 112.2 | H218 W219 P221 | H218-N251 CarbonylContact C-O 3.17Å; H218-N251 WeakPolarHBondContact CA-O 3.43Å; W219-N251 PolarHBondContact N-O 3.06Å; W219-N251 WeakPolarHBondContact O-CB 3.24Å; P221-N251 HydrophobicContact CB-CB 4.11Å; P221-N251 HydrophobicContact CG-CB 4.25Å |
| 252 | S | 90.9 | Very high | 91.1 | Very high | 42 Ų | 42 | 73.3 Ų | 73.3 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 153.4 | -179.3 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | L217 W219 | L217-S252 CarbonylContact O-C 3.51Å; L217-S252 WeakPolarHBondContact O-CA 3.38Å; L217-S252 WeakPolarHBondContact O-CB 3.24Å; W219-S252 VanDerWaalsContact CZ3-CA 3.5Å |
| 253 | V | 95.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 72.4 Ų | 72.4 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 142.9 | 172.6 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | S216 L217 W219 I232 Q246 L255 | S216-V253 CarbonylContact C-O 3.6Å; S216-V253 WeakPolarHBondContact CA-O 3.45Å; L217-V253 HydrophobicContact CB-CG1 4.08Å; L217-V253 HydrophobicContact CD1-CG1 3.91Å; L217-V253 HydrophobicContact CG-CG1 4.28Å; L217-V253 PolarHBondContact N-O 2.92Å; L217-V253 PolarHBondContact O-N 2.85Å; W219-V253 HydrophobicContact CH2-CB 3.88Å; W219-V253 HydrophobicContact CH2-CG1 3.76Å; W219-V253 HydrophobicContact CZ3-CB 4.11Å; W219-V253 HydrophobicContact CZ3-CG1 3.63Å; I232-V253 HydrophobicContact CD1-CG1 4.18Å; I232-V253 HydrophobicContact CG1-CG1 4.26Å; Q246-V253 HydrophobicContact CG-CB 4.12Å; Q246-V253 HydrophobicContact CG-CG2 3.99Å; Q246-V253 VanDerWaalsContact NE2-CG2 3.25Å; V253-L255 HydrophobicContact CG1-CD2 4.44Å |
| 254 | R | 95.6 | Very high | 91.2 | Very high | 152 Ų | 152 | 65.8 Ų | 65.8 | 57% | 0.574 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.8 | 172.5 | -169.5 | 173.5 | -175.2 | 159 | 0.7 | 110.5 | S214 T256 | S214-R254 PolarHBondContact OG-NE 3.39Å; S214-R254 PolarHBondContact OG-NH2 3.07Å; R254-T256 HydrophobicContact CG-CG2 4.43Å |
| 255 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 133.5 | 167.9 | -51.7 | -177 | 0 | 0 | 0 | 108.8 | S214 A215 L217 I232 F234 L244 V253 L258 V266 F284 | S214-L255 CarbonylContact C-O 3.47Å; S214-L255 WeakPolarHBondContact CA-O 3.43Å; S214-L255 WeakPolarHBondContact CB-O 3.36Å; A215-L255 PolarHBondContact N-O 3.39Å; A215-L255 PolarHBondContact O-N 3.44Å; L217-L255 HydrophobicContact CD1-CD1 3.99Å; L217-L255 HydrophobicContact CD1-CD2 4Å; L217-L255 HydrophobicContact CD1-CG 4.09Å; L217-L255 HydrophobicContact CD2-CD1 4.15Å; L217-L255 HydrophobicContact CG-CD1 4.05Å; L217-L255 HydrophobicContact CG-CD2 4.48Å; L217-L255 HydrophobicContact CG-CG 4.08Å; I232-L255 HydrophobicContact CG2-CD2 4.42Å; F234-L255 HydrophobicContact CB-CD1 4.23Å; F234-L255 HydrophobicContact CD1-CD1 4.42Å; F234-L255 HydrophobicContact CD1-CD2 3.91Å; F234-L255 HydrophobicContact CD2-CD1 4.11Å; F234-L255 HydrophobicContact CE1-CD2 3.91Å; F234-L255 HydrophobicContact CG-CD1 3.99Å; F234-L255 HydrophobicContact CG-CD2 4.31Å; F234-L255 HydrophobicContact CZ-CD2 4.28Å; L244-L255 HydrophobicContact CD1-CD2 3.55Å; V253-L255 HydrophobicContact CG1-CD2 4.44Å; L255-L258 HydrophobicContact CB-CD1 4.27Å; L255-L258 HydrophobicContact CB-CD2 4.4Å; L255-V266 HydrophobicContact CD1-CG2 4.18Å; L255-F284 HydrophobicContact CD1-CE1 3.94Å; L255-F284 HydrophobicContact CD1-CZ 4Å |
| 256 | T | 93.5 | Very high | 90.8 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | trans | -122.8 | 177.6 | 177.8 | 60 | 0 | 0 | 0 | 0 | 111.1 | D213 R254 L258 | D213-T256 CarbonylContact O-C 3.48Å; R254-T256 HydrophobicContact CG-CG2 4.43Å; T256-L258 PolarHBondContact O-N 3.12Å; T256-L258 VanDerWaalsContact O-N 3.16Å | ||
| 257 | D | 90.6 | Very high | 90.6 | Very high | 133 Ų | 133 | 59.7 Ų | 59.7 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 58.6 | 30.6 | 174.6 | -51.1 | -65.7 | 0 | 0 | 0 | 113.4 | D213 | D213-D257 PolarHBondContact O-N 3.04Å; D213-D257 VanDerWaalsContact O-N 3.14Å |
| 258 | L | 92.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 150.4 | 175.9 | -50.6 | -180 | 0 | 0 | 0 | 110.2 | D213 A215 F234 L255 T256 Y264 F284 T286 | D213-L258 WeakPolarHBondContact CA-O 3.5Å; D213-L258 WeakPolarHBondContact O-CB 3.4Å; D213-L258 WeakPolarHBondContact O-CG 3.47Å; D213-L258 PolarHBondContact O-N 3.18Å; A215-L258 HydrophobicContact CB-CD1 4.25Å; F234-L258 HydrophobicContact CD2-CD2 4Å; F234-L258 HydrophobicContact CE2-CD2 3.65Å; L255-L258 HydrophobicContact CB-CD1 4.27Å; L255-L258 HydrophobicContact CB-CD2 4.4Å; T256-L258 PolarHBondContact O-N 3.12Å; T256-L258 VanDerWaalsContact O-N 3.16Å; L258-Y264 WeakPolarHBondContact CA-OH 3.4Å; L258-Y264 HydrophobicContact CB-CE2 3.89Å; L258-Y264 HydrophobicContact CD2-CD1 4.19Å; L258-Y264 HydrophobicContact CD2-CE1 3.78Å; L258-Y264 HydrophobicContact CD2-CE2 4.23Å; L258-Y264 HydrophobicContact CG-CE2 4.49Å; L258-F284 HydrophobicContact CD1-CE2 3.64Å; L258-F284 HydrophobicContact CD1-CZ 3.54Å; L258-T286 HydrophobicContact CB-CG2 3.75Å; L258-T286 HydrophobicContact CD1-CG2 3.83Å; L258-T286 HydrophobicContact CG-CG2 4.48Å |
| 259 | K | 91.2 | Very high | 90.7 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 135.5 | 174.4 | -67.5 | -176.8 | -179.5 | 176.8 | 0 | 109.2 | T262 Y264 T286 | K259-T262 HydrophobicContact CB-CG2 4.4Å; K259-T262 WeakPolarHBondContact CB-OG1 3.39Å; K259-T262 VanDerWaalsContact O-CB 3.27Å; K259-T262 WeakPolarHBondContact O-CB 3.13Å; K259-T262 PolarHBondContact O-OG1 3.46Å; K259-Y264 PolarHBondContact N-OH 3.42Å; K259-T286 PolarHBondContact O-OG1 3.28Å |
| 260 | P | 91.1 | Very high | 90.7 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 154.7 | 173.4 | -22.3 | 31.6 | 0 | 0 | 0 | 112.8 | T212 T262 V289 | T212-P260 WeakPolarHBondContact O-CA 3.43Å; T212-P260 WeakPolarHBondContact O-CG 3.42Å; P260-T262 PolarHBondContact O-N 2.88Å; P260-T262 VanDerWaalsContact O-N 3.09Å; P260-T262 PolarHBondContact O-OG1 2.77Å; P260-V289 HydrophobicContact CB-CG2 3.49Å; P260-V289 VanDerWaalsContact CB-CG2 3.49Å; P260-V289 HydrophobicContact CG-CG2 3.34Å |
| 261 | D | 92.8 | Very high | 90.6 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.4 | 178.1 | -160.2 | 32.5 | 0 | 0 | 0 | 114.1 | T286 K287 P288 | D261-T286 WeakPolarHBondContact CA-O 3.38Å; D261-T286 PolarHBondContact N-O 2.88Å; D261-T286 PolarHBondContact N-OG1 2.88Å; D261-T286 VanDerWaalsContact N-OG1 3.07Å; D261-K287 PolarHBondContact N-O 3.03Å; D261-P288 HydrophobicContact CB-CB 4.32Å |
| 262 | T | 92.7 | Very high | 90.3 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 20% | 0.202 | 27% | 0.269 | C | S | . | . | trans | -125.7 | 134.7 | -173.7 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | T236 K259 P260 Y264 T285 T286 | T236-T262 HydrophobicContact CG2-CG2 3.37Å; K259-T262 HydrophobicContact CB-CG2 4.4Å; K259-T262 WeakPolarHBondContact CB-OG1 3.39Å; K259-T262 VanDerWaalsContact O-CB 3.27Å; K259-T262 WeakPolarHBondContact O-CB 3.13Å; K259-T262 PolarHBondContact O-OG1 3.46Å; P260-T262 PolarHBondContact O-N 2.88Å; P260-T262 VanDerWaalsContact O-N 3.09Å; P260-T262 PolarHBondContact O-OG1 2.77Å; T262-Y264 HydrophobicContact CG2-CD2 4.3Å; T262-Y264 HydrophobicContact CG2-CE2 3.77Å; T262-Y264 WeakPolarHBondContact O-CD2 3.42Å; T262-T285 WeakPolarHBondContact O-CA 3.26Å; T262-T286 PolarHBondContact N-OG1 2.85Å; T262-T286 PolarHBondContact O-N 3.03Å; T262-T286 VanDerWaalsContact O-N 3.11Å; T262-T286 PolarHBondContact O-OG1 2.88Å | ||
| 263 | T | 92.8 | Very high | 89.6 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 124 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | F284 T285 | T263-F284 CarbonylContact C-O 3.49Å; T263-F284 WeakPolarHBondContact CA-O 3.3Å; T263-T285 PolarHBondContact OG1-OG1 2.87Å |
| 264 | Y | 92.8 | Very high | 88.4 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142 | 177.4 | -74.6 | -95.4 | 0 | 0 | 0 | 111 | F234 T236 L258 K259 T262 T283 F284 T286 | F234-Y264 HydrophobicContact CD2-CD1 4.23Å; T236-Y264 HydrophobicContact CG2-CD1 4.05Å; T236-Y264 HydrophobicContact CG2-CE1 3.82Å; T236-Y264 HydrophobicContact CG2-CE2 4.3Å; T236-Y264 HydrophobicContact CG2-CG 4.39Å; L258-Y264 WeakPolarHBondContact CA-OH 3.4Å; L258-Y264 HydrophobicContact CB-CE2 3.89Å; L258-Y264 HydrophobicContact CD2-CD1 4.19Å; L258-Y264 HydrophobicContact CD2-CE1 3.78Å; L258-Y264 HydrophobicContact CD2-CE2 4.23Å; L258-Y264 HydrophobicContact CG-CE2 4.49Å; K259-Y264 PolarHBondContact N-OH 3.42Å; T262-Y264 HydrophobicContact CG2-CD2 4.3Å; T262-Y264 HydrophobicContact CG2-CE2 3.77Å; T262-Y264 WeakPolarHBondContact O-CD2 3.42Å; Y264-T283 CarbonylContact O-C 3.57Å; Y264-T283 WeakPolarHBondContact O-CA 3.28Å; Y264-T283 WeakPolarHBondContact O-CB 3.36Å; Y264-F284 HydrophobicContact CD2-CE2 4.46Å; Y264-F284 HydrophobicContact CD2-CZ 4.41Å; Y264-F284 HydrophobicContact CG-CZ 4.23Å; Y264-F284 PolarHBondContact N-O 3.36Å; Y264-F284 PolarHBondContact O-N 2.94Å; Y264-T286 HydrophobicContact CD2-CG2 4.33Å; Y264-T286 HydrophobicContact CE2-CG2 4.21Å |
| 265 | S | 90.4 | Very high | 86.4 | Confident | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135 | 164.8 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | F234 G235 | F234-S265 CarbonylContact C-O 3.59Å; F234-S265 WeakPolarHBondContact CA-O 3.36Å; G235-S265 PolarHBondContact N-O 2.76Å; G235-S265 PolarHBondContact O-N 3.02Å |
| 266 | V | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.5 | -176.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | L205 L217 I232 R233 F234 L255 S281 T282 F284 | L205-V266 HydrophobicContact CD2-CG1 3.95Å; L217-V266 HydrophobicContact CD1-CG1 3.55Å; L217-V266 HydrophobicContact CD2-CG1 4.08Å; L217-V266 HydrophobicContact CD2-CG2 4.33Å; L217-V266 HydrophobicContact CG-CG1 4.47Å; I232-V266 HydrophobicContact CG2-CG1 3.9Å; R233-V266 CarbonylContact O-C 3.46Å; R233-V266 VanDerWaalsContact O-CA 3.31Å; R233-V266 WeakPolarHBondContact O-CA 3.09Å; F234-V266 HydrophobicContact CB-CB 4.37Å; F234-V266 HydrophobicContact CB-CG1 4.33Å; F234-V266 HydrophobicContact CB-CG2 3.85Å; L255-V266 HydrophobicContact CD1-CG2 4.18Å; V266-S281 CarbonylContact O-C 3.55Å; V266-S281 WeakPolarHBondContact O-CA 3.39Å; V266-T282 HydrophobicContact CB-CG2 4.27Å; V266-T282 PolarHBondContact N-O 2.74Å; V266-T282 PolarHBondContact O-N 2.91Å; V266-F284 HydrophobicContact CG2-CD1 3.83Å; V266-F284 HydrophobicContact CG2-CE1 3.45Å; V266-F284 VanDerWaalsContact CG2-CE1 3.45Å |
| 267 | S | 88.8 | Confident | 83.3 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 17% | 0.168 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 133.4 | 169.7 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | I232 R233 L280 S281 | I232-S267 CarbonylContact C-O 3.54Å; I232-S267 WeakPolarHBondContact CA-O 3.34Å; R233-S267 PolarHBondContact N-O 3.16Å; R233-S267 PolarHBondContact O-N 3.14Å; S267-L280 CarbonylContact C-O 3.57Å; S267-L280 VanDerWaalsContact CA-O 3.25Å; S267-L280 WeakPolarHBondContact CA-O 3.34Å; S267-S281 PolarHBondContact OG-OG 2.88Å |
| 268 | L | 89.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.8 | 172.4 | 175.9 | 79.1 | 0 | 0 | 0 | 108.1 | L205 W219 Y230 E231 I232 T279 L280 | L205-L268 HydrophobicContact CD1-CB 4.2Å; L205-L268 HydrophobicContact CD1-CD2 4.08Å; L205-L268 HydrophobicContact CD2-CB 3.86Å; W219-L268 HydrophobicContact CB-CD2 3.64Å; W219-L268 HydrophobicContact CD2-CD1 4.2Å; W219-L268 HydrophobicContact CD2-CD2 3.68Å; W219-L268 HydrophobicContact CE3-CD1 4.38Å; W219-L268 HydrophobicContact CE3-CD2 4.24Å; W219-L268 HydrophobicContact CG-CD2 3.39Å; W219-L268 HydrophobicContact CZ2-CD1 4.35Å; Y230-L268 HydrophobicContact CD1-CD1 3.83Å; Y230-L268 HydrophobicContact CD1-CD2 4.23Å; Y230-L268 HydrophobicContact CD1-CG 4.13Å; Y230-L268 HydrophobicContact CE1-CD2 4.49Å; Y230-L268 HydrophobicContact CG-CD1 4.04Å; E231-L268 CarbonylContact O-C 3.6Å; I232-L268 HydrophobicContact CD1-CD1 3.98Å; I232-L268 HydrophobicContact CG1-CD1 3.56Å; L268-T279 WeakPolarHBondContact O-CA 3.42Å; L268-L280 HydrophobicContact CB-CB 4.39Å; L268-L280 HydrophobicContact CD2-CD1 4.24Å; L268-L280 PolarHBondContact N-O 2.85Å; L268-L280 PolarHBondContact O-N 3.47Å |
| 269 | I | 88.2 | Confident | 80.9 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 106.3 | -177.3 | -54.4 | 164.7 | 0 | 0 | 0 | 107 | E231 R233 E271 T279 | E231-I269 HydrophobicContact CB-CB 4.25Å; E231-I269 HydrophobicContact CG-CD1 4.45Å; E231-I269 PolarHBondContact N-O 3.49Å; E231-I269 PolarHBondContact O-N 2.9Å; R233-I269 HydrophobicContact CG-CD1 4.39Å; I269-E271 HydrophobicContact CG2-CG 4.23Å; I269-E271 PolarHBondContact O-N 3.08Å; I269-T279 HydrophobicContact CG1-CG2 3.67Å |
| 270 | P | 80.8 | Confident | 80.2 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.7 | 172.2 | -9.5 | 26.4 | 0 | 0 | 0 | 109.7 | V222 L223 Y230 F277 N278 | V222-P270 HydrophobicContact CG2-CB 4.04Å; V222-P270 HydrophobicContact CG2-CG 3.97Å; L223-P270 HydrophobicContact CD1-CB 3.96Å; L223-P270 HydrophobicContact CD2-CB 4.05Å; L223-P270 HydrophobicContact CG-CB 4.01Å; Y230-P270 HydrophobicContact CD1-CB 3.87Å; Y230-P270 HydrophobicContact CD1-CG 4.11Å; Y230-P270 HydrophobicContact CE1-CB 3.7Å; Y230-P270 HydrophobicContact CE1-CG 3.94Å; P270-F277 HydrophobicContact CB-CB 3.72Å; P270-F277 HydrophobicContact CB-CD2 4.02Å; P270-F277 HydrophobicContact CB-CG 3.91Å; P270-F277 HydrophobicContact CG-CB 3.73Å; P270-F277 HydrophobicContact CG-CG 4.29Å; P270-N278 WeakPolarHBondContact CD-O 3.38Å |
| 271 | E | 83.1 | Confident | 79.8 | Confident | 77 Ų | 77 | 56.9 Ų | 56.9 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.5 | 176.5 | -64.4 | -163.3 | 175.8 | 0 | 0 | 110.4 | G228 H229 I269 | G228-E271 CarbonylContact C-O 3.53Å; G228-E271 WeakPolarHBondContact CA-O 3.37Å; H229-E271 IonicContact CE1-OE2 2.99Å; H229-E271 PolarHBondContact CE1-OE2 3.16Å; H229-E271 PolarHBondContact N-O 2.8Å; H229-E271 IonicContact NE2-OE2 3.53Å; H229-E271 PolarHBondContact NE2-OE2 3.44Å; H229-E271 PolarHBondContact O-N 3.01Å; I269-E271 HydrophobicContact CG2-CG 4.23Å; I269-E271 PolarHBondContact O-N 3.08Å |
| 272 | S | 76.9 | Confident | 79.3 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.6 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 110 | S227 E274 I275 | S227-S272 WeakPolarHBondContact O-CA 3.26Å; S227-S272 WeakPolarHBondContact O-CB 3.39Å; S227-S272 PolarHBondContact O-OG 2.87Å; S272-E274 VanDerWaalsContact C-N 3.31Å; S272-E274 PolarHBondContact OG-N 3.1Å; S272-E274 VanDerWaalsContact OG-N 3.16Å; S272-I275 WeakPolarHBondContact CB-O 3.48Å |
| 273 | N | 76.9 | Confident | 79.1 | Confident | 131 Ų | 131 | 56.2 Ų | 56.2 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -81.2 | -10.7 | 172.2 | 58.5 | -38.1 | 0 | 0 | 0 | 113.1 | S227 | S227-N273 WeakPolarHBondContact CB-OD1 3.19Å; S227-N273 PolarHBondContact O-OD1 3.27Å |
| 274 | E | 68.3 | Low | 78.8 | Confident | 112 Ų | 112 | 53.1 Ų | 53.1 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -101.4 | -42.7 | -175.8 | -64 | 175.3 | -145.6 | 0 | 0 | 111.9 | L226 S272 | L226-E274 WeakPolarHBondContact CD2-OE2 3.35Å; S272-E274 VanDerWaalsContact C-N 3.31Å; S272-E274 PolarHBondContact OG-N 3.1Å; S272-E274 VanDerWaalsContact OG-N 3.16Å |
| 275 | I | 55.2 | Low | 78.7 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | trans | -136.1 | 134.2 | -174.1 | -56 | 172.3 | 0 | 0 | 0 | 110 | L226 S272 F277 | L226-I275 HydrophobicContact CD1-CD1 4.1Å; S272-I275 WeakPolarHBondContact CB-O 3.48Å; I275-F277 HydrophobicContact CB-CE2 3.81Å; I275-F277 HydrophobicContact CB-CZ 3.98Å; I275-F277 HydrophobicContact CG2-CD2 4.44Å; I275-F277 HydrophobicContact CG2-CE1 4.3Å; I275-F277 HydrophobicContact CG2-CE2 3.97Å; I275-F277 HydrophobicContact CG2-CZ 3.91Å; I275-F277 VanDerWaalsContact O-CD2 3.3Å; I275-F277 WeakPolarHBondContact O-CD2 3.45Å; I275-F277 WeakPolarHBondContact O-CE2 3.43Å | ||
| 276 | T | 60.4 | Low | 78.8 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 79% | 0.791 | 31% | 0.305 | S | S | * | . | trans | -82.7 | 131.5 | 171.3 | -30 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 277 | F | 61.9 | Low | 78.7 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 23% | 0.228 | 33% | 0.33 | C | S | . | . | trans | -115 | 152.1 | 178.2 | -66.1 | -88.5 | 0 | 0 | 0 | 111.3 | V222 L223 L226 P270 I275 | V222-F277 HydrophobicContact CB-CD1 4.19Å; V222-F277 HydrophobicContact CB-CE1 3.89Å; V222-F277 HydrophobicContact CG2-CD1 4.01Å; V222-F277 HydrophobicContact CG2-CE1 4.11Å; L223-F277 HydrophobicContact CD2-CD2 3.76Å; L223-F277 HydrophobicContact CD2-CE2 3.32Å; L223-F277 HydrophobicContact CD2-CZ 3.89Å; L226-F277 HydrophobicContact CD1-CE2 4.04Å; L226-F277 HydrophobicContact CD1-CZ 3.68Å; P270-F277 HydrophobicContact CB-CB 3.72Å; P270-F277 HydrophobicContact CB-CD2 4.02Å; P270-F277 HydrophobicContact CB-CG 3.91Å; P270-F277 HydrophobicContact CG-CB 3.73Å; P270-F277 HydrophobicContact CG-CG 4.29Å; I275-F277 HydrophobicContact CB-CE2 3.81Å; I275-F277 HydrophobicContact CB-CZ 3.98Å; I275-F277 HydrophobicContact CG2-CD2 4.44Å; I275-F277 HydrophobicContact CG2-CE1 4.3Å; I275-F277 HydrophobicContact CG2-CE2 3.97Å; I275-F277 HydrophobicContact CG2-CZ 3.91Å; I275-F277 VanDerWaalsContact O-CD2 3.3Å; I275-F277 WeakPolarHBondContact O-CD2 3.45Å; I275-F277 WeakPolarHBondContact O-CE2 3.43Å | ||
| 278 | N | 61.4 | Low | 78.6 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 147.4 | 172.1 | -80.4 | -29 | 0 | 0 | 0 | 111.8 | E17 D54 P270 | E17-N278 PolarHBondContact OE2-ND2 2.89Å; D54-N278 PolarHBondContact O-ND2 2.96Å; P270-N278 WeakPolarHBondContact CD-O 3.38Å |
| 279 | T | 72.8 | Confident | 78.4 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 129.5 | 174.3 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | L268 I269 | L268-T279 WeakPolarHBondContact O-CA 3.42Å; I269-T279 HydrophobicContact CG1-CG2 3.67Å |
| 280 | L | 76.6 | Confident | 78.2 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.3 | 173.6 | -53.7 | -176.3 | 0 | 0 | 0 | 109.4 | R204 L205 S267 L268 | R204-L280 HydrophobicContact CG-CD2 4.42Å; L205-L280 HydrophobicContact CB-CB 3.99Å; L205-L280 HydrophobicContact CB-CD1 4.39Å; S267-L280 CarbonylContact C-O 3.57Å; S267-L280 VanDerWaalsContact CA-O 3.25Å; S267-L280 WeakPolarHBondContact CA-O 3.34Å; L268-L280 HydrophobicContact CB-CB 4.39Å; L268-L280 HydrophobicContact CD2-CD1 4.24Å; L268-L280 PolarHBondContact N-O 2.85Å; L268-L280 PolarHBondContact O-N 3.47Å |
| 281 | S | 82 | Confident | 78.4 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 147.4 | 179.2 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | V266 S267 | V266-S281 CarbonylContact O-C 3.55Å; V266-S281 WeakPolarHBondContact O-CA 3.39Å; S267-S281 PolarHBondContact OG-OG 2.88Å |
| 282 | T | 82.8 | Confident | 78.7 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 166.3 | 177.9 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | L205 V207 V266 | L205-T282 HydrophobicContact CD2-CG2 3.87Å; L205-T282 HydrophobicContact CG-CG2 4.11Å; V207-T282 HydrophobicContact CG2-CG2 3.54Å; V266-T282 HydrophobicContact CB-CG2 4.27Å; V266-T282 PolarHBondContact N-O 2.74Å; V266-T282 PolarHBondContact O-N 2.91Å |
| 283 | T | 87.6 | Confident | 79.5 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.5 | 175 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | Y264 | Y264-T283 CarbonylContact O-C 3.57Å; Y264-T283 WeakPolarHBondContact O-CA 3.28Å; Y264-T283 WeakPolarHBondContact O-CB 3.36Å |
| 284 | F | 86.7 | Confident | 80.2 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158.7 | 173.5 | 73 | -85.4 | 0 | 0 | 0 | 111.5 | V207 V210 A215 L255 L258 T263 Y264 V266 T286 | V207-F284 HydrophobicContact CB-CB 4.26Å; V207-F284 HydrophobicContact CB-CG 4.49Å; V207-F284 HydrophobicContact CG1-CB 3.94Å; V207-F284 HydrophobicContact CG1-CD1 3.91Å; V207-F284 HydrophobicContact CG1-CD2 4.2Å; V207-F284 HydrophobicContact CG1-CE1 4.48Å; V207-F284 HydrophobicContact CG1-CG 3.75Å; V207-F284 HydrophobicContact CG2-CB 4.22Å; V207-F284 HydrophobicContact CG2-CD1 4.04Å; V207-F284 HydrophobicContact CG2-CG 4.39Å; V210-F284 HydrophobicContact CG1-CD2 4.17Å; V210-F284 HydrophobicContact CG2-CD2 4.24Å; A215-F284 HydrophobicContact CB-CD2 3.91Å; A215-F284 HydrophobicContact CB-CE1 4.33Å; A215-F284 HydrophobicContact CB-CE2 3.33Å; A215-F284 HydrophobicContact CB-CZ 3.58Å; L255-F284 HydrophobicContact CD1-CE1 3.94Å; L255-F284 HydrophobicContact CD1-CZ 4Å; L258-F284 HydrophobicContact CD1-CE2 3.64Å; L258-F284 HydrophobicContact CD1-CZ 3.54Å; T263-F284 CarbonylContact C-O 3.49Å; T263-F284 WeakPolarHBondContact CA-O 3.3Å; Y264-F284 HydrophobicContact CD2-CE2 4.46Å; Y264-F284 HydrophobicContact CD2-CZ 4.41Å; Y264-F284 HydrophobicContact CG-CZ 4.23Å; Y264-F284 PolarHBondContact N-O 3.36Å; Y264-F284 PolarHBondContact O-N 2.94Å; V266-F284 HydrophobicContact CG2-CD1 3.83Å; V266-F284 HydrophobicContact CG2-CE1 3.45Å; V266-F284 VanDerWaalsContact CG2-CE1 3.45Å; F284-T286 HydrophobicContact CE2-CG2 4.09Å |
| 285 | T | 90.7 | Very high | 81.4 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.1 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | V210 T262 T263 | V210-T285 WeakPolarHBondContact CG1-O 3.24Å; T262-T285 WeakPolarHBondContact O-CA 3.26Å; T263-T285 PolarHBondContact OG1-OG1 2.87Å |
| 286 | T | 92.9 | Very high | 83.4 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 153.3 | 175.6 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | L258 K259 D261 T262 Y264 F284 | L258-T286 HydrophobicContact CB-CG2 3.75Å; L258-T286 HydrophobicContact CD1-CG2 3.83Å; L258-T286 HydrophobicContact CG-CG2 4.48Å; K259-T286 PolarHBondContact O-OG1 3.28Å; D261-T286 WeakPolarHBondContact CA-O 3.38Å; D261-T286 PolarHBondContact N-O 2.88Å; D261-T286 PolarHBondContact N-OG1 2.88Å; D261-T286 VanDerWaalsContact N-OG1 3.07Å; T262-T286 PolarHBondContact N-OG1 2.85Å; T262-T286 PolarHBondContact O-N 3.03Å; T262-T286 VanDerWaalsContact O-N 3.11Å; T262-T286 PolarHBondContact O-OG1 2.88Å; Y264-T286 HydrophobicContact CD2-CG2 4.33Å; Y264-T286 HydrophobicContact CE2-CG2 4.21Å; F284-T286 HydrophobicContact CE2-CG2 4.09Å |
| 287 | K | 89.6 | Confident | 85.1 | Confident | 121 Ų | 121 | 54.8 Ų | 54.8 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 155.7 | 177.6 | -68.1 | 175 | 179.2 | 155.5 | 0 | 112.3 | V210 S211 T212 D261 | V210-K287 WeakPolarHBondContact O-CD 3.43Å; V210-K287 WeakPolarHBondContact O-CE 3.43Å; V210-K287 PolarHBondContact O-NZ 2.99Å; S211-K287 PolarHBondContact O-N 2.8Å; T212-K287 WeakPolarHBondContact CA-O 3.21Å; T212-K287 HydrophobicContact CG2-CB 4.02Å; D261-K287 PolarHBondContact N-O 3.03Å |
| 288 | P | 87.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.6 | 173.2 | 30.4 | -35.7 | 0 | 0 | 0 | 112.1 | T212 D261 V290 | T212-P288 WeakPolarHBondContact CG2-O 3.47Å; D261-P288 HydrophobicContact CB-CB 4.32Å; P288-V290 PolarHBondContact O-N 2.8Å |
| 289 | V | 83.9 | Confident | 88.3 | Confident | 82 Ų | 82 | 54 Ų | 54 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 121.2 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | P260 E291 | P260-V289 HydrophobicContact CB-CG2 3.49Å; P260-V289 VanDerWaalsContact CB-CG2 3.49Å; P260-V289 HydrophobicContact CG-CG2 3.34Å; V289-E291 HydrophobicContact CG1-CG 4.2Å |
| 290 | V | 84.3 | Confident | 89.1 | Confident | 79 Ų | 79 | 56.1 Ų | 56.1 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | trans | -94.3 | 103.2 | 171.7 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | P288 A294 P312 Q314 | P288-V290 PolarHBondContact O-N 2.8Å; V290-A294 HydrophobicContact CG1-CB 3.57Å; V290-P312 HydrophobicContact CG1-CG 4.12Å; V290-Q314 PolarHBondContact O-NE2 3.4Å | ||
| 291 | E | 85.2 | Confident | 89.8 | Confident | 74 Ų | 74 | 56 Ų | 56 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 138.7 | 178.6 | -65.1 | -176.3 | 160.1 | 0 | 0 | 112.3 | V289 P293 A294 K370 | V289-E291 HydrophobicContact CG1-CG 4.2Å; E291-P293 CarbonylContact O-C 3.54Å; E291-A294 PolarHBondContact O-N 2.8Å; E291-K370 HydrophobicContact CB-CD 3.48Å; E291-K370 VanDerWaalsContact CB-CD 3.48Å; E291-K370 WeakPolarHBondContact O-CE 3.37Å; E291-K370 PolarHBondContact O-NZ 3.21Å |
| 292 | S | 89 | Confident | 90.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -74.6 | 147.1 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | P312 Y321 A362 K370 | S292-P312 WeakPolarHBondContact CB-O 3.47Å; S292-P312 PolarHBondContact OG-O 3.13Å; S292-Y321 VanDerWaalsContact OG-CE1 3.28Å; S292-Y321 WeakPolarHBondContact OG-CE1 3.46Å; S292-Y321 PolarHBondContact OG-OH 2.93Å; S292-A362 WeakPolarHBondContact O-CB 3.44Å; S292-K370 WeakPolarHBondContact O-CB 3.21Å |
| 293 | P | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | cis | -75.5 | 132.1 | -18.4 | 32.2 | -30.4 | 0 | 0 | 0 | 110 | E291 V296 W310 V360 K370 M372 | E291-P293 CarbonylContact O-C 3.54Å; P293-V296 HydrophobicContact CB-CG2 4.14Å; P293-W310 HydrophobicContact CB-CB 4.03Å; P293-V360 HydrophobicContact CG-CB 4.49Å; P293-V360 HydrophobicContact CG-CG1 4.38Å; P293-V360 WeakPolarHBondContact CG-O 3.45Å; P293-K370 VanDerWaalsContact CD-O 3.25Å; P293-K370 WeakPolarHBondContact CD-O 3.35Å; P293-K370 WeakPolarHBondContact O-CE 3.3Å; P293-M372 HydrophobicContact CB-CB 4.47Å; P293-M372 HydrophobicContact CG-CB 3.93Å |
| 294 | A | 91.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -95 | -21.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V290 E291 G311 M372 | V290-A294 HydrophobicContact CG1-CB 3.57Å; E291-A294 PolarHBondContact O-N 2.8Å; A294-G311 PolarHBondContact N-O 2.84Å; A294-M372 WeakPolarHBondContact O-CE 3.3Å |
| 295 | V | 93.9 | Very high | 91.3 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.4 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | T297 W310 G311 M372 | V295-T297 HydrophobicContact CG2-CG2 4.03Å; V295-W310 WeakPolarHBondContact O-CA 3.06Å; V295-G311 PolarHBondContact N-O 3.16Å; V295-G311 VanDerWaalsContact N-O 3.08Å; V295-G311 PolarHBondContact O-N 3.38Å; V295-M372 VanDerWaalsContact CA-SD 3.54Å |
| 296 | V | 96.7 | Very high | 91.6 | Very high | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.8 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 108 | P293 V308 S309 W310 V360 M372 V374 | P293-V296 HydrophobicContact CB-CG2 4.14Å; V296-V308 HydrophobicContact CG1-CG1 3.67Å; V296-S309 CarbonylContact C-O 3.56Å; V296-S309 WeakPolarHBondContact CA-O 3.44Å; V296-W310 HydrophobicContact CG2-CB 4.2Å; V296-V360 HydrophobicContact CG1-CG2 3.91Å; V296-V360 HydrophobicContact CG2-CB 4.01Å; V296-V360 HydrophobicContact CG2-CG2 4.04Å; V296-M372 HydrophobicContact CB-CG 4.23Å; V296-M372 HydrophobicContact CB-SD 4.33Å; V296-M372 HydrophobicContact CG2-CB 3.73Å; V296-M372 HydrophobicContact CG2-CG 3.71Å; V296-M372 HydrophobicContact CG2-SD 4.01Å; V296-V374 HydrophobicContact CG1-CB 4.31Å; V296-V374 HydrophobicContact CG1-CG1 3.7Å |
| 297 | T | 96.4 | Very high | 91.8 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 161.5 | -174.6 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | V295 V308 S309 | V295-T297 HydrophobicContact CG2-CG2 4.03Å; T297-V308 WeakPolarHBondContact O-CA 3.45Å; T297-S309 PolarHBondContact N-O 2.91Å; T297-S309 PolarHBondContact O-N 3.32Å; T297-S309 PolarHBondContact OG1-O 3.31Å |
| 298 | V | 95.6 | Very high | 92.2 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.7 | -172.5 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | V306 R307 V374 V376 | V298-V306 HydrophobicContact CG1-CG1 3.5Å; V298-V306 VanDerWaalsContact CG1-CG1 3.5Å; V298-R307 WeakPolarHBondContact CA-O 3.1Å; V298-V374 HydrophobicContact CG2-CG1 4Å; V298-V374 HydrophobicContact CG2-CG2 3.99Å; V298-V376 HydrophobicContact CB-CG1 3.86Å; V298-V376 HydrophobicContact CG1-CB 4.46Å; V298-V376 HydrophobicContact CG1-CG1 3.38Å; V298-V376 HydrophobicContact CG2-CG1 3.14Å |
| 299 | S | 93.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 172.8 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | S301 R307 | S299-S301 PolarHBondContact O-N 3.09Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 WeakPolarHBondContact O-CA 3.49Å; S299-R307 WeakPolarHBondContact O-CB 3.24Å; S299-R307 PolarHBondContact O-N 3.2Å |
| 300 | E | 90.4 | Very high | 93.3 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | trans | 49.7 | 42 | 175.8 | -62.8 | 171.9 | -154.2 | 0 | 0 | 113.2 | G302 R307 | E300-G302 PolarHBondContact O-N 2.78Å; E300-G302 VanDerWaalsContact O-N 3.09Å; E300-R307 HydrophobicContact CB-CB 3.96Å; E300-R307 HydrophobicContact CG-CB 4.47Å; E300-R307 IonicContact OE1-CZ 3.36Å; E300-R307 IonicContact OE1-NE 2.84Å; E300-R307 PolarHBondContact OE1-NE 2.9Å; E300-R307 IonicContact OE1-NH2 2.97Å; E300-R307 PolarHBondContact OE1-NH2 3.46Å; E300-R307 IonicContact OE2-CZ 3.97Å; E300-R307 IonicContact OE2-NE 3.47Å; E300-R307 PolarHBondContact OE2-NE 3.31Å; E300-R307 IonicContact OE2-NH2 3.51Å; E300-R307 PolarHBondContact OE2-NH2 3.09Å | ||
| 301 | S | 90.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | trans | -71 | 105.5 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 110 | S299 Q379 | S299-S301 PolarHBondContact O-N 3.09Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S301-Q379 WeakPolarHBondContact O-CG 3.36Å; S301-Q379 PolarHBondContact O-NE2 3.31Å | ||
| 302 | G | 90.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | trans | -107.6 | -169.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | E300 S305 T378 Q379 | E300-G302 PolarHBondContact O-N 2.78Å; E300-G302 VanDerWaalsContact O-N 3.09Å; G302-S305 PolarHBondContact N-O 3.3Å; G302-T378 WeakPolarHBondContact O-CA 3.28Å; G302-Q379 PolarHBondContact O-N 2.84Å | ||
| 303 | E | 91.1 | Very high | 94.2 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -68.1 | -40.9 | -178 | -61.5 | 179.2 | 171.4 | 0 | 0 | 112.7 | P352 T378 Q379 V381 | E303-P352 HydrophobicContact CB-CB 4.4Å; E303-P352 HydrophobicContact CB-CG 4.33Å; E303-P352 WeakPolarHBondContact O-CA 3.34Å; E303-T378 WeakPolarHBondContact O-CB 3.15Å; E303-Q379 WeakPolarHBondContact CA-O 3.33Å; E303-Q379 HydrophobicContact CG-CB 4.21Å; E303-V381 HydrophobicContact CG-CG2 4.5Å |
| 304 | T | 93.4 | Very high | 94 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 44% | 0.436 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -123.3 | 8.5 | -174.8 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | R348 N349 L350 P352 | T304-R348 CarbonylContact O-C 3.49Å; T304-N349 PolarHBondContact O-N 2.61Å; T304-L350 WeakPolarHBondContact CA-O 3.28Å; T304-L350 WeakPolarHBondContact CB-O 3.46Å; T304-L350 WeakPolarHBondContact O-CB 3.35Å; T304-L350 PolarHBondContact O-N 3.21Å; T304-P352 HydrophobicContact CG2-CG 4.13Å |
| 305 | S | 96.2 | Very high | 93.7 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | trans | -148.7 | 149.3 | -177.9 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | G302 L347 | G302-S305 PolarHBondContact N-O 3.3Å; S305-L347 CarbonylContact C-O 3.6Å; S305-L347 WeakPolarHBondContact CA-O 3.29Å; S305-L347 WeakPolarHBondContact CB-O 3.34Å | ||
| 306 | V | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 135.4 | 174.4 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | V298 L347 L350 V376 T378 | V298-V306 HydrophobicContact CG1-CG1 3.5Å; V298-V306 VanDerWaalsContact CG1-CG1 3.5Å; V306-L347 PolarHBondContact N-O 3.17Å; V306-L347 PolarHBondContact O-N 3.23Å; V306-L350 HydrophobicContact CB-CD1 4.18Å; V306-L350 HydrophobicContact CG2-CD1 3.95Å; V306-V376 HydrophobicContact CG1-CB 4.26Å; V306-V376 HydrophobicContact CG1-CG1 3.92Å; V306-T378 HydrophobicContact CG2-CG2 3.87Å |
| 307 | R | 97.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.2 | 172.7 | -178.5 | 176.8 | -62.6 | -110.3 | 5.9 | 110.4 | V298 S299 E300 T345 L346 | V298-R307 WeakPolarHBondContact CA-O 3.1Å; S299-R307 PolarHBondContact N-O 2.81Å; S299-R307 WeakPolarHBondContact O-CA 3.49Å; S299-R307 WeakPolarHBondContact O-CB 3.24Å; S299-R307 PolarHBondContact O-N 3.2Å; E300-R307 HydrophobicContact CB-CB 3.96Å; E300-R307 HydrophobicContact CG-CB 4.47Å; E300-R307 IonicContact OE1-CZ 3.36Å; E300-R307 IonicContact OE1-NE 2.84Å; E300-R307 PolarHBondContact OE1-NE 2.9Å; E300-R307 IonicContact OE1-NH2 2.97Å; E300-R307 PolarHBondContact OE1-NH2 3.46Å; E300-R307 IonicContact OE2-CZ 3.97Å; E300-R307 IonicContact OE2-NE 3.47Å; E300-R307 PolarHBondContact OE2-NE 3.31Å; E300-R307 IonicContact OE2-NH2 3.51Å; E300-R307 PolarHBondContact OE2-NH2 3.09Å; R307-T345 WeakPolarHBondContact CA-O 3.38Å; R307-L346 HydrophobicContact CB-CD1 4.02Å |
| 308 | V | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | V296 T297 W310 S344 T345 L347 V358 V360 | V296-V308 HydrophobicContact CG1-CG1 3.67Å; T297-V308 WeakPolarHBondContact O-CA 3.45Å; V308-W310 WeakPolarHBondContact O-CZ3 3.4Å; V308-S344 CarbonylContact O-C 3.51Å; V308-S344 WeakPolarHBondContact O-CA 3.3Å; V308-S344 WeakPolarHBondContact O-CB 3.36Å; V308-T345 PolarHBondContact N-O 3.43Å; V308-T345 PolarHBondContact O-N 3.43Å; V308-L347 HydrophobicContact CG2-CD1 3.82Å; V308-L347 HydrophobicContact CG2-CG 4.22Å; V308-V358 HydrophobicContact CG1-CG1 4.12Å; V308-V358 HydrophobicContact CG2-CG1 4.16Å; V308-V358 HydrophobicContact CG2-CG2 4.33Å; V308-V360 HydrophobicContact CG1-CG2 3.92Å |
| 309 | S | 97.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 47.9 Ų | 47.9 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.6 | -179.4 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | V296 T297 N343 S344 | V296-S309 CarbonylContact C-O 3.56Å; V296-S309 WeakPolarHBondContact CA-O 3.44Å; T297-S309 PolarHBondContact N-O 2.91Å; T297-S309 PolarHBondContact O-N 3.32Å; T297-S309 PolarHBondContact OG1-O 3.31Å; S309-N343 CarbonylContact C-O 3.42Å; S309-N343 WeakPolarHBondContact CA-O 3.38Å; S309-N343 WeakPolarHBondContact CB-O 3.3Å; S309-S344 WeakPolarHBondContact OG-CB 3.39Å |
| 310 | W | 97.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.038 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 161.4 | -177.7 | 55.9 | 91.1 | 0 | 0 | 0 | 112.1 | P293 V295 V296 V308 Y321 I323 V338 Q342 N343 T345 V360 | P293-W310 HydrophobicContact CB-CB 4.03Å; V295-W310 WeakPolarHBondContact O-CA 3.06Å; V296-W310 HydrophobicContact CG2-CB 4.2Å; V308-W310 WeakPolarHBondContact O-CZ3 3.4Å; W310-Y321 AromaticContact CD1-CD1 3.84Å; W310-Y321 AromaticContact CD1-CE1 3.48Å; W310-Y321 VanDerWaalsContact CD1-CE1 3.48Å; W310-Y321 AromaticContact CD1-CZ 3.76Å; W310-Y321 AromaticContact CE2-CD1 3.98Å; W310-Y321 AromaticContact CE2-CG 3.84Å; W310-Y321 HydrophobicContact CZ2-CD2 4.06Å; W310-Y321 AromaticContact CZ2-CG 3.95Å; W310-Y321 HydrophobicContact CZ2-CG 3.95Å; W310-Y321 AromaticContact NE1-CD1 3.36Å; W310-Y321 AromaticContact NE1-CD2 3.52Å; W310-Y321 AromaticContact NE1-CE1 3.27Å; W310-Y321 VanDerWaalsContact NE1-CE1 3.27Å; W310-Y321 AromaticContact NE1-CE2 3.46Å; W310-Y321 AromaticContact NE1-CG 3.48Å; W310-Y321 AromaticContact NE1-CZ 3.33Å; W310-Y321 VanDerWaalsContact NE1-CZ 3.33Å; W310-I323 HydrophobicContact CH2-CD1 3.93Å; W310-I323 HydrophobicContact CH2-CG1 4.34Å; W310-I323 HydrophobicContact CZ3-CD1 4.28Å; W310-I323 HydrophobicContact CZ3-CG1 4.18Å; W310-V338 HydrophobicContact CH2-CG2 3.63Å; W310-V338 HydrophobicContact CZ2-CG2 3.5Å; W310-Q342 WeakPolarHBondContact CZ2-O 3.36Å; W310-Q342 PolarHBondContact NE1-O 2.74Å; W310-N343 PolarHBondContact N-O 3.02Å; W310-T345 HydrophobicContact CH2-CG2 4.32Å; W310-T345 HydrophobicContact CZ3-CG2 4.1Å; W310-V360 HydrophobicContact CB-CG1 4.24Å; W310-V360 HydrophobicContact CD2-CG1 3.78Å; W310-V360 HydrophobicContact CE3-CG1 3.93Å; W310-V360 HydrophobicContact CE3-CG2 4.12Å; W310-V360 HydrophobicContact CG-CG1 3.92Å |
| 311 | G | 93.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 172.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A294 V295 | A294-G311 PolarHBondContact N-O 2.84Å; V295-G311 PolarHBondContact N-O 3.16Å; V295-G311 VanDerWaalsContact N-O 3.08Å; V295-G311 PolarHBondContact O-N 3.38Å |
| 312 | P | 92.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | cis | -70.4 | 158.9 | -9.7 | 31.3 | -35.6 | 0 | 0 | 0 | 112.3 | V290 S292 | V290-P312 HydrophobicContact CG1-CG 4.12Å; S292-P312 WeakPolarHBondContact CB-O 3.47Å; S292-P312 PolarHBondContact OG-O 3.13Å | ||
| 313 | L | 90.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | trans | -74.3 | 140.3 | 169.1 | -79.6 | -179.7 | 0 | 0 | 0 | 110.8 | Y321 Q342 N343 | L313-Y321 HydrophobicContact CD2-CE2 4.02Å; L313-Q342 WeakPolarHBondContact CD2-O 3.42Å; L313-N343 HydrophobicContact CD1-CB 3.84Å; L313-N343 HydrophobicContact CD2-CB 3.71Å; L313-N343 HydrophobicContact CG-CB 3.7Å | ||
| 314 | Q | 89.3 | Confident | 93.8 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | trans | -137.3 | 66.9 | 177.9 | -63.9 | -176.4 | -48.9 | 0 | 0 | 110.8 | V290 D316 T317 V318 | V290-Q314 PolarHBondContact O-NE2 3.4Å; Q314-D316 PolarHBondContact O-N 3.24Å; Q314-D316 VanDerWaalsContact O-N 3.12Å; Q314-T317 WeakPolarHBondContact CB-OG1 3.35Å; Q314-T317 PolarHBondContact O-N 3.37Å; Q314-T317 VanDerWaalsContact O-N 3.11Å; Q314-T317 PolarHBondContact O-OG1 3.13Å; Q314-V318 HydrophobicContact CB-CG2 4.07Å; Q314-V318 WeakPolarHBondContact O-CB 3.46Å; Q314-V318 PolarHBondContact O-N 3.17Å | ||
| 315 | P | 86.2 | Confident | 94 | Very high | 48 Ų | 48 | 39 Ų | 39 | 31% | 0.312 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -19.7 | -171.3 | 27.9 | -36.1 | 0 | 0 | 0 | 114.2 | R340 | P315-R340 HydrophobicContact CB-CG 4.39Å; P315-R340 WeakPolarHBondContact O-CD 3.49Å; P315-R340 PolarHBondContact O-NH1 2.87Å |
| 316 | D | 85.3 | Confident | 94 | Very high | 148 Ų | 148 | 38.9 Ų | 38.9 | 79% | 0.791 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -28.6 | 178.1 | -55.5 | -47.4 | 0 | 0 | 0 | 112.4 | Q314 | Q314-D316 PolarHBondContact O-N 3.24Å; Q314-D316 VanDerWaalsContact O-N 3.12Å |
| 317 | T | 86.6 | Confident | 94 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -27.6 | -177.3 | 68.5 | 0 | 0 | 0 | 0 | 112.7 | Q314 H364 A365 | Q314-T317 WeakPolarHBondContact CB-OG1 3.35Å; Q314-T317 PolarHBondContact O-N 3.37Å; Q314-T317 VanDerWaalsContact O-N 3.11Å; Q314-T317 PolarHBondContact O-OG1 3.13Å; T317-H364 CarbonylContact O-C 3.55Å; T317-H364 WeakPolarHBondContact O-CA 3.24Å; T317-H364 WeakPolarHBondContact O-CB 3.21Å; T317-H364 PolarHBondContact O-ND1 2.65Å; T317-H364 PolarHBondContact OG1-ND1 2.92Å; T317-A365 PolarHBondContact O-N 2.97Å |
| 318 | V | 92.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.6 | 180 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | Q314 Y321 R340 A362 | Q314-V318 HydrophobicContact CB-CG2 4.07Å; Q314-V318 WeakPolarHBondContact O-CB 3.46Å; Q314-V318 PolarHBondContact O-N 3.17Å; V318-Y321 HydrophobicContact CG1-CD1 4.45Å; V318-Y321 HydrophobicContact CG1-CD2 4.16Å; V318-Y321 HydrophobicContact CG1-CE1 4.08Å; V318-Y321 HydrophobicContact CG1-CE2 3.75Å; V318-Y321 HydrophobicContact CG1-CG 4.49Å; V318-R340 WeakPolarHBondContact O-CB 3.38Å; V318-A362 HydrophobicContact CG1-CB 4.25Å; V318-A362 HydrophobicContact CG2-CB 4.09Å |
| 319 | T | 93.5 | Very high | 93.2 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -36.6 | 178 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | R363 A365 | T319-R363 PolarHBondContact N-O 2.87Å; T319-R363 PolarHBondContact OG1-O 3.17Å; T319-A365 HydrophobicContact CG2-CB 3.89Å |
| 320 | S | 94.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 153.8 | -173.9 | 40.7 | 0 | 0 | 0 | 0 | 110.2 | R363 | S320-R363 PolarHBondContact O-N 2.95Å; S320-R363 PolarHBondContact OG-NE 3.22Å; S320-R363 VanDerWaalsContact OG-NE 3.13Å; S320-R363 PolarHBondContact OG-NH2 2.81Å |
| 321 | Y | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.4 | 169.7 | -65.7 | -85.7 | 0 | 0 | 0 | 109.6 | S292 W310 L313 V318 T337 V338 V360 T361 A362 | S292-Y321 VanDerWaalsContact OG-CE1 3.28Å; S292-Y321 WeakPolarHBondContact OG-CE1 3.46Å; S292-Y321 PolarHBondContact OG-OH 2.93Å; W310-Y321 AromaticContact CD1-CD1 3.84Å; W310-Y321 AromaticContact CD1-CE1 3.48Å; W310-Y321 VanDerWaalsContact CD1-CE1 3.48Å; W310-Y321 AromaticContact CD1-CZ 3.76Å; W310-Y321 AromaticContact CE2-CD1 3.98Å; W310-Y321 AromaticContact CE2-CG 3.84Å; W310-Y321 HydrophobicContact CZ2-CD2 4.06Å; W310-Y321 AromaticContact CZ2-CG 3.95Å; W310-Y321 HydrophobicContact CZ2-CG 3.95Å; W310-Y321 AromaticContact NE1-CD1 3.36Å; W310-Y321 AromaticContact NE1-CD2 3.52Å; W310-Y321 AromaticContact NE1-CE1 3.27Å; W310-Y321 VanDerWaalsContact NE1-CE1 3.27Å; W310-Y321 AromaticContact NE1-CE2 3.46Å; W310-Y321 AromaticContact NE1-CG 3.48Å; W310-Y321 AromaticContact NE1-CZ 3.33Å; W310-Y321 VanDerWaalsContact NE1-CZ 3.33Å; L313-Y321 HydrophobicContact CD2-CE2 4.02Å; V318-Y321 HydrophobicContact CG1-CD1 4.45Å; V318-Y321 HydrophobicContact CG1-CD2 4.16Å; V318-Y321 HydrophobicContact CG1-CE1 4.08Å; V318-Y321 HydrophobicContact CG1-CE2 3.75Å; V318-Y321 HydrophobicContact CG1-CG 4.49Å; Y321-T337 WeakPolarHBondContact O-CA 3.42Å; Y321-V338 HydrophobicContact CD2-CG2 4.45Å; Y321-V338 PolarHBondContact N-O 2.93Å; Y321-V338 PolarHBondContact O-N 3.47Å; Y321-V360 HydrophobicContact CD1-CG1 4.32Å; Y321-T361 CarbonylContact C-O 3.44Å; Y321-T361 WeakPolarHBondContact CA-O 3.48Å; Y321-A362 HydrophobicContact CD1-CB 3.82Å; Y321-A362 HydrophobicContact CE1-CB 3.56Å |
| 322 | Y | 96.6 | Very high | 92.1 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119 | 177 | -162.8 | -113.8 | 0 | 0 | 0 | 108.9 | E324 T335 T337 T361 | Y322-E324 HydrophobicContact CD1-CG 3.46Å; Y322-E324 VanDerWaalsContact CD1-CG 3.46Å; Y322-E324 HydrophobicContact CE1-CG 3.38Å; Y322-E324 WeakPolarHBondContact CE1-OE1 2.91Å; Y322-T335 HydrophobicContact CE1-CG2 3.86Å; Y322-T335 VanDerWaalsContact CZ-CB 3.43Å; Y322-T335 WeakPolarHBondContact OH-CB 3.43Å; Y322-T335 VanDerWaalsContact OH-CG2 3.24Å; Y322-T335 WeakPolarHBondContact OH-CG2 3.18Å; Y322-T335 PolarHBondContact OH-OG1 2.86Å; Y322-T337 VanDerWaalsContact CD2-OG1 3.32Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.27Å; Y322-T361 PolarHBondContact N-O 3.14Å; Y322-T361 PolarHBondContact O-N 2.89Å |
| 323 | I | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.6 | -178.9 | -58.1 | 86.4 | 0 | 0 | 0 | 107.4 | W310 Y325 T335 V336 V338 T345 L347 V358 T359 V360 | W310-I323 HydrophobicContact CH2-CD1 3.93Å; W310-I323 HydrophobicContact CH2-CG1 4.34Å; W310-I323 HydrophobicContact CZ3-CD1 4.28Å; W310-I323 HydrophobicContact CZ3-CG1 4.18Å; I323-Y325 HydrophobicContact CG2-CD1 4.49Å; I323-T335 CarbonylContact O-C 3.55Å; I323-T335 VanDerWaalsContact O-CA 3.22Å; I323-T335 WeakPolarHBondContact O-CA 3.38Å; I323-V336 HydrophobicContact CB-CB 4.46Å; I323-V336 WeakPolarHBondContact CD1-O 3.39Å; I323-V336 PolarHBondContact N-O 3.14Å; I323-V336 PolarHBondContact O-N 3.04Å; I323-V338 HydrophobicContact CD1-CG1 4.19Å; I323-V338 HydrophobicContact CD1-CG2 3.82Å; I323-T345 HydrophobicContact CD1-CG2 4.14Å; I323-T345 HydrophobicContact CG1-CG2 4.02Å; I323-T345 HydrophobicContact CG2-CG2 4.49Å; I323-L347 HydrophobicContact CG2-CD2 4.22Å; I323-V358 HydrophobicContact CG2-CG1 3.61Å; I323-T359 CarbonylContact C-O 3.46Å; I323-T359 WeakPolarHBondContact CA-O 3.46Å; I323-V360 HydrophobicContact CG1-CG1 4.41Å; I323-V360 HydrophobicContact CG1-CG2 4.21Å; I323-V360 HydrophobicContact CG2-CG2 4.49Å |
| 324 | E | 97.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 65.8 Ų | 65.8 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.1 | 177.6 | -62.4 | -172.1 | 115.6 | 0 | 0 | 109.4 | Y322 L333 Q334 T335 V358 T359 | Y322-E324 HydrophobicContact CD1-CG 3.46Å; Y322-E324 VanDerWaalsContact CD1-CG 3.46Å; Y322-E324 HydrophobicContact CE1-CG 3.38Å; Y322-E324 WeakPolarHBondContact CE1-OE1 2.91Å; E324-L333 HydrophobicContact CB-CD1 4.04Å; E324-Q334 CarbonylContact C-O 3.53Å; E324-Q334 WeakPolarHBondContact CA-O 2.97Å; E324-T335 HydrophobicContact CB-CG2 4.44Å; E324-T335 HydrophobicContact CG-CG2 3.88Å; E324-V358 CarbonylContact O-C 3.3Å; E324-V358 WeakPolarHBondContact O-CA 3.48Å; E324-T359 PolarHBondContact N-O 2.71Å; E324-T359 PolarHBondContact O-N 2.96Å |
| 325 | Y | 97.2 | Very high | 92.7 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 8% | 0.078 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 144.5 | -180 | 61.7 | -75.8 | 0 | 0 | 0 | 112.4 | I323 Q334 V336 L347 L350 Y356 L357 | I323-Y325 HydrophobicContact CG2-CD1 4.49Å; Y325-Q334 HydrophobicContact CD1-CB 4.17Å; Y325-Q334 WeakPolarHBondContact CD1-O 3.17Å; Y325-Q334 HydrophobicContact CD2-CB 4.12Å; Y325-Q334 HydrophobicContact CE1-CB 3.67Å; Y325-Q334 HydrophobicContact CE2-CB 3.66Å; Y325-Q334 HydrophobicContact CE2-CG 4.36Å; Y325-Q334 HydrophobicContact CG-CB 4.36Å; Y325-Q334 PolarHBondContact N-O 3.2Å; Y325-Q334 PolarHBondContact O-N 3.45Å; Y325-V336 HydrophobicContact CE1-CG2 4.01Å; Y325-L347 HydrophobicContact CD1-CD1 4.09Å; Y325-L347 HydrophobicContact CD1-CD2 3.95Å; Y325-L347 HydrophobicContact CD2-CD1 4.13Å; Y325-L347 HydrophobicContact CE1-CD2 3.74Å; Y325-L347 HydrophobicContact CG-CD1 3.91Å; Y325-L350 HydrophobicContact CD2-CD2 3.93Å; Y325-L350 HydrophobicContact CE2-CD2 3.54Å; Y325-Y356 HydrophobicContact CD2-CD1 4.1Å; Y325-Y356 HydrophobicContact CD2-CE1 4.43Å; Y325-L357 VanDerWaalsContact CA-O 3.23Å; Y325-L357 WeakPolarHBondContact CA-O 3.23Å |
| 326 | S | 96.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147.4 | 178 | 61.5 | 0 | 0 | 0 | 0 | 111 | Y356 L357 | S326-Y356 VanDerWaalsContact C-CD1 3.43Å; S326-Y356 VanDerWaalsContact O-CA 3.27Å; S326-Y356 WeakPolarHBondContact O-CA 3.4Å; S326-L357 PolarHBondContact N-O 2.92Å; S326-L357 PolarHBondContact O-N 2.77Å |
| 327 | A | 95.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 136.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R330 G331 T354 Y356 | A327-R330 CarbonylContact O-C 3.16Å; A327-R330 PolarHBondContact O-N 2.88Å; A327-G331 PolarHBondContact O-N 3.23Å; A327-G331 VanDerWaalsContact O-N 3.16Å; A327-T354 HydrophobicContact CB-CG2 3.85Å; A327-Y356 HydrophobicContact CB-CD1 4.12Å; A327-Y356 HydrophobicContact CB-CE1 3.77Å |
| 328 | L | 92.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 61 Ų | 61 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -92.1 | 144.2 | 174.2 | -64.9 | 179.1 | 0 | 0 | 0 | 110.6 | I355 L357 K375 | L328-I355 HydrophobicContact CD1-CG2 4.16Å; L328-I355 PolarHBondContact N-O 2.8Å; L328-L357 HydrophobicContact CD1-CB 4.25Å; L328-L357 HydrophobicContact CD2-CB 4.24Å; L328-L357 HydrophobicContact CG-CB 4.27Å; L328-K375 HydrophobicContact CD1-CD 4.42Å |
| 329 | P | 86.4 | Confident | 94.4 | Very high | 127 Ų | 127 | 62.7 Ų | 62.7 | 83% | 0.825 | 35% | 0.345 | S | S | * | . | S | Bend | cis | -86 | -13 | -0.3 | 34.8 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 330 | R | 86.1 | Confident | 94.4 | Very high | 231 Ų | 231 | 66.4 Ų | 66.4 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -136.1 | 124 | -178.8 | -64.3 | -176.6 | -177.6 | -173 | 0.6 | 108.7 | A327 | A327-R330 CarbonylContact O-C 3.16Å; A327-R330 PolarHBondContact O-N 2.88Å |
| 331 | G | 86.2 | Confident | 94.4 | Very high | 40 Ų | 40 | 70 Ų | 70 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | trans | -165.4 | 153.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A327 | A327-G331 PolarHBondContact O-N 3.23Å; A327-G331 VanDerWaalsContact O-N 3.16Å | ||
| 332 | N | 92.3 | Very high | 94.3 | Very high | 147 Ų | 147 | 74.7 Ų | 74.7 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | trans | -72.8 | 140.4 | 175.2 | -66.5 | -25.1 | 0 | 0 | 0 | 109.6 | Q334 | N332-Q334 PolarHBondContact O-N 2.96Š| ||
| 333 | L | 94.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 74 Ų | 74 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | trans | -67.9 | 122.8 | 175.4 | -172.1 | 66.4 | 0 | 0 | 0 | 109.4 | E324 T335 | E324-L333 HydrophobicContact CB-CD1 4.04Å; L333-T335 HydrophobicContact CD2-CG2 4.5Å; L333-T335 HydrophobicContact CG-CG2 4.22Å | ||
| 334 | Q | 95.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.7 | 173 | -66.9 | -179.2 | -38.1 | 0 | 0 | 108.9 | E324 Y325 N332 | E324-Q334 CarbonylContact C-O 3.53Å; E324-Q334 WeakPolarHBondContact CA-O 2.97Å; Y325-Q334 HydrophobicContact CD1-CB 4.17Å; Y325-Q334 WeakPolarHBondContact CD1-O 3.17Å; Y325-Q334 HydrophobicContact CD2-CB 4.12Å; Y325-Q334 HydrophobicContact CE1-CB 3.67Å; Y325-Q334 HydrophobicContact CE2-CB 3.66Å; Y325-Q334 HydrophobicContact CE2-CG 4.36Å; Y325-Q334 HydrophobicContact CG-CB 4.36Å; Y325-Q334 PolarHBondContact N-O 3.2Å; Y325-Q334 PolarHBondContact O-N 3.45Å; N332-Q334 PolarHBondContact O-N 2.96Å |
| 335 | T | 96.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 37% | 0.368 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.9 | -175.5 | 69.9 | 0 | 0 | 0 | 0 | 112 | Y322 I323 E324 L333 | Y322-T335 HydrophobicContact CE1-CG2 3.86Å; Y322-T335 VanDerWaalsContact CZ-CB 3.43Å; Y322-T335 WeakPolarHBondContact OH-CB 3.43Å; Y322-T335 VanDerWaalsContact OH-CG2 3.24Å; Y322-T335 WeakPolarHBondContact OH-CG2 3.18Å; Y322-T335 PolarHBondContact OH-OG1 2.86Å; I323-T335 CarbonylContact O-C 3.55Å; I323-T335 VanDerWaalsContact O-CA 3.22Å; I323-T335 WeakPolarHBondContact O-CA 3.38Å; E324-T335 HydrophobicContact CB-CG2 4.44Å; E324-T335 HydrophobicContact CG-CG2 3.88Å; L333-T335 HydrophobicContact CD2-CG2 4.5Å; L333-T335 HydrophobicContact CG-CG2 4.22Å |
| 336 | V | 96.7 | Very high | 94.2 | Very high | 41 Ų | 41 | 74.3 Ų | 74.3 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129.8 | 176.8 | 174 | 0 | 0 | 0 | 0 | 108 | I323 Y325 V338 L347 | I323-V336 HydrophobicContact CB-CB 4.46Å; I323-V336 WeakPolarHBondContact CD1-O 3.39Å; I323-V336 PolarHBondContact N-O 3.14Å; I323-V336 PolarHBondContact O-N 3.04Å; Y325-V336 HydrophobicContact CE1-CG2 4.01Å; V336-V338 HydrophobicContact CG1-CG1 4.01Å; V336-L347 HydrophobicContact CG2-CD2 4.42Å |
| 337 | T | 96.9 | Very high | 94.2 | Very high | 87 Ų | 87 | 73 Ų | 73 | 53% | 0.534 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.9 | 173.6 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | Y321 Y322 | Y321-T337 WeakPolarHBondContact O-CA 3.42Å; Y322-T337 VanDerWaalsContact CD2-OG1 3.32Å; Y322-T337 WeakPolarHBondContact CD2-OG1 3.27Å |
| 338 | V | 96.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 80.2 Ų | 80.2 | 7% | 0.073 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159.4 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | W310 Y321 I323 V336 Q342 | W310-V338 HydrophobicContact CH2-CG2 3.63Å; W310-V338 HydrophobicContact CZ2-CG2 3.5Å; Y321-V338 HydrophobicContact CD2-CG2 4.45Å; Y321-V338 PolarHBondContact N-O 2.93Å; Y321-V338 PolarHBondContact O-N 3.47Å; I323-V338 HydrophobicContact CD1-CG1 4.19Å; I323-V338 HydrophobicContact CD1-CG2 3.82Å; V336-V338 HydrophobicContact CG1-CG1 4.01Å; V338-Q342 HydrophobicContact CB-CB 4.13Å; V338-Q342 HydrophobicContact CG2-CB 4.04Å |
| 339 | G | 94.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 83.9 Ų | 83.9 | 39% | 0.392 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 160.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S341 Q342 | G339-S341 PolarHBondContact O-N 2.87Å; G339-S341 VanDerWaalsContact O-N 3.11Å; G339-Q342 PolarHBondContact O-N 2.82Å |
| 340 | R | 94 | Very high | 94.6 | Very high | 138 Ų | 138 | 78.1 Ų | 78.1 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.2 | -179.7 | 66.2 | -174.5 | -175.4 | 163.1 | -6.3 | 116.2 | P315 V318 | P315-R340 HydrophobicContact CB-CG 4.39Å; P315-R340 WeakPolarHBondContact O-CD 3.49Å; P315-R340 PolarHBondContact O-NH1 2.87Å; V318-R340 WeakPolarHBondContact O-CB 3.38Å |
| 341 | S | 93.5 | Very high | 94.9 | Very high | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.8 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | G339 | G339-S341 PolarHBondContact O-N 2.87Å; G339-S341 VanDerWaalsContact O-N 3.11Å |
| 342 | Q | 95 | Very high | 95 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | trans | -89.2 | 132.7 | 178 | -60.9 | -144.2 | -64.1 | 0 | 0 | 110.4 | W310 L313 V338 G339 | W310-Q342 WeakPolarHBondContact CZ2-O 3.36Å; W310-Q342 PolarHBondContact NE1-O 2.74Å; L313-Q342 WeakPolarHBondContact CD2-O 3.42Å; V338-Q342 HydrophobicContact CB-CB 4.13Å; V338-Q342 HydrophobicContact CG2-CB 4.04Å; G339-Q342 PolarHBondContact O-N 2.82Å | ||
| 343 | N | 96 | Very high | 94.8 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | trans | -109.7 | 2.6 | 174.9 | 66.6 | -11.7 | 0 | 0 | 0 | 113 | S309 W310 L313 | S309-N343 CarbonylContact C-O 3.42Å; S309-N343 WeakPolarHBondContact CA-O 3.38Å; S309-N343 WeakPolarHBondContact CB-O 3.3Å; W310-N343 PolarHBondContact N-O 3.02Å; L313-N343 HydrophobicContact CD1-CB 3.84Å; L313-N343 HydrophobicContact CD2-CB 3.71Å; L313-N343 HydrophobicContact CG-CB 3.7Å | ||
| 344 | S | 97.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 155.3 | -180 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | V308 S309 | V308-S344 CarbonylContact O-C 3.51Å; V308-S344 WeakPolarHBondContact O-CA 3.3Å; V308-S344 WeakPolarHBondContact O-CB 3.36Å; S309-S344 WeakPolarHBondContact OG-CB 3.39Å |
| 345 | T | 97.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 63.1 Ų | 63.1 | 12% | 0.123 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.3 | 170.6 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | R307 V308 W310 I323 L347 | R307-T345 WeakPolarHBondContact CA-O 3.38Å; V308-T345 PolarHBondContact N-O 3.43Å; V308-T345 PolarHBondContact O-N 3.43Å; W310-T345 HydrophobicContact CH2-CG2 4.32Å; W310-T345 HydrophobicContact CZ3-CG2 4.1Å; I323-T345 HydrophobicContact CD1-CG2 4.14Å; I323-T345 HydrophobicContact CG1-CG2 4.02Å; I323-T345 HydrophobicContact CG2-CG2 4.49Å; T345-L347 HydrophobicContact CG2-CD2 3.92Å |
| 346 | L | 97.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.3 | 173.8 | -175.8 | 68.6 | 0 | 0 | 0 | 108.4 | R307 R348 | R307-L346 HydrophobicContact CB-CD1 4.02Å; L346-R348 HydrophobicContact CD2-CG 4.31Å; L346-R348 HydrophobicContact CG-CG 4.21Å |
| 347 | L | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.6 | 171.4 | -54.3 | -176.6 | 0 | 0 | 0 | 108 | S305 V306 V308 I323 Y325 V336 T345 L350 V358 | S305-L347 CarbonylContact C-O 3.6Å; S305-L347 WeakPolarHBondContact CA-O 3.29Å; S305-L347 WeakPolarHBondContact CB-O 3.34Å; V306-L347 PolarHBondContact N-O 3.17Å; V306-L347 PolarHBondContact O-N 3.23Å; V308-L347 HydrophobicContact CG2-CD1 3.82Å; V308-L347 HydrophobicContact CG2-CG 4.22Å; I323-L347 HydrophobicContact CG2-CD2 4.22Å; Y325-L347 HydrophobicContact CD1-CD1 4.09Å; Y325-L347 HydrophobicContact CD1-CD2 3.95Å; Y325-L347 HydrophobicContact CD2-CD1 4.13Å; Y325-L347 HydrophobicContact CE1-CD2 3.74Å; Y325-L347 HydrophobicContact CG-CD1 3.91Å; V336-L347 HydrophobicContact CG2-CD2 4.42Å; T345-L347 HydrophobicContact CG2-CD2 3.92Å; L347-L350 HydrophobicContact CB-CD1 4.09Å; L347-L350 HydrophobicContact CB-CD2 4.39Å; L347-L350 HydrophobicContact CB-CG 4.49Å; L347-V358 HydrophobicContact CD1-CG1 4.32Å; L347-V358 HydrophobicContact CD1-CG2 3.74Å |
| 348 | R | 95.1 | Very high | 94.6 | Very high | 162 Ų | 162 | 57.6 Ų | 57.6 | 61% | 0.611 | 31% | 0.307 | S | S | * | . | trans | -126.5 | 168.2 | -175.1 | -64.6 | 178.6 | -178.5 | -101.1 | 4.8 | 110.2 | T304 L346 L350 | T304-R348 CarbonylContact O-C 3.49Å; L346-R348 HydrophobicContact CD2-CG 4.31Å; L346-R348 HydrophobicContact CG-CG 4.21Å; R348-L350 PolarHBondContact O-N 3.27Å | ||
| 349 | N | 93.7 | Very high | 94.6 | Very high | 145 Ų | 145 | 58.3 Ų | 58.3 | 78% | 0.775 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 58.8 | 33.6 | 179.6 | -52.3 | -35.7 | 0 | 0 | 0 | 112.5 | T304 | T304-N349 PolarHBondContact O-N 2.61Š|
| 350 | L | 94.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 155.9 | 174 | -54.5 | -179.2 | 0 | 0 | 0 | 110.2 | T304 V306 Y325 L347 R348 Y356 T378 | T304-L350 WeakPolarHBondContact CA-O 3.28Å; T304-L350 WeakPolarHBondContact CB-O 3.46Å; T304-L350 WeakPolarHBondContact O-CB 3.35Å; T304-L350 PolarHBondContact O-N 3.21Å; V306-L350 HydrophobicContact CB-CD1 4.18Å; V306-L350 HydrophobicContact CG2-CD1 3.95Å; Y325-L350 HydrophobicContact CD2-CD2 3.93Å; Y325-L350 HydrophobicContact CE2-CD2 3.54Å; L347-L350 HydrophobicContact CB-CD1 4.09Å; L347-L350 HydrophobicContact CB-CD2 4.39Å; L347-L350 HydrophobicContact CB-CG 4.49Å; R348-L350 PolarHBondContact O-N 3.27Å; L350-Y356 HydrophobicContact CB-CE2 4Å; L350-Y356 HydrophobicContact CD2-CD1 4.29Å; L350-Y356 HydrophobicContact CD2-CE1 3.86Å; L350-Y356 HydrophobicContact CD2-CE2 4.3Å; L350-T378 HydrophobicContact CB-CG2 3.69Å; L350-T378 HydrophobicContact CD1-CG2 3.7Å; L350-T378 HydrophobicContact CG-CG2 4.37Å |
| 351 | L | 91.5 | Very high | 94.9 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 56% | 0.555 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 134.5 | 172.6 | -64.3 | 175.6 | 0 | 0 | 0 | 109.5 | T354 Y356 T378 | L351-T354 HydrophobicContact CB-CG2 4.44Å; L351-T354 WeakPolarHBondContact CB-OG1 3.31Å; L351-T354 WeakPolarHBondContact O-CB 3.15Å; L351-T354 PolarHBondContact O-OG1 2.88Å; L351-Y356 PolarHBondContact N-OH 3.22Å; L351-T378 WeakPolarHBondContact O-CB 3.48Å; L351-T378 PolarHBondContact O-OG1 3.04Å |
| 352 | P | 90.1 | Very high | 95 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 151.7 | 174.3 | -24.4 | 34.5 | 0 | 0 | 0 | 113.8 | E303 T304 T354 Q379 V381 | E303-P352 HydrophobicContact CB-CB 4.4Å; E303-P352 HydrophobicContact CB-CG 4.33Å; E303-P352 WeakPolarHBondContact O-CA 3.34Å; T304-P352 HydrophobicContact CG2-CG 4.13Å; P352-T354 PolarHBondContact O-N 2.67Å; P352-T354 VanDerWaalsContact O-N 3.11Å; P352-T354 PolarHBondContact O-OG1 2.74Å; P352-Q379 CarbonylContact C-O 3.5Å; P352-Q379 WeakPolarHBondContact CA-O 3.48Å; P352-Q379 WeakPolarHBondContact CB-O 3.43Å; P352-V381 HydrophobicContact CB-CG2 3.48Å; P352-V381 VanDerWaalsContact CB-CG2 3.48Å; P352-V381 HydrophobicContact CG-CG2 3.49Å; P352-V381 VanDerWaalsContact CG-CG2 3.49Å |
| 353 | G | 87.5 | Confident | 95 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 27.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T378 Q379 | G353-T378 WeakPolarHBondContact CA-O 3.47Å; G353-T378 PolarHBondContact N-O 2.85Å; G353-T378 PolarHBondContact N-OG1 2.69Å; G353-T378 VanDerWaalsContact N-OG1 3.15Å; G353-Q379 PolarHBondContact N-O 3.35Å |
| 354 | T | 90.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 44.7 Ų | 44.7 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | trans | -119 | 138 | -169.8 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | A327 L351 P352 Y356 T378 | A327-T354 HydrophobicContact CB-CG2 3.85Å; L351-T354 HydrophobicContact CB-CG2 4.44Å; L351-T354 WeakPolarHBondContact CB-OG1 3.31Å; L351-T354 WeakPolarHBondContact O-CB 3.15Å; L351-T354 PolarHBondContact O-OG1 2.88Å; P352-T354 PolarHBondContact O-N 2.67Å; P352-T354 VanDerWaalsContact O-N 3.11Å; P352-T354 PolarHBondContact O-OG1 2.74Å; T354-Y356 HydrophobicContact CG2-CD2 4.11Å; T354-Y356 HydrophobicContact CG2-CE2 3.65Å; T354-T378 PolarHBondContact N-OG1 3.48Å; T354-T378 PolarHBondContact O-N 3.28Å; T354-T378 VanDerWaalsContact O-N 3.11Å; T354-T378 PolarHBondContact O-OG1 2.83Å | ||
| 355 | I | 93.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127 | 176.6 | -58.1 | 174.1 | 0 | 0 | 0 | 109.1 | L328 K375 V376 C377 | L328-I355 HydrophobicContact CD1-CG2 4.16Å; L328-I355 PolarHBondContact N-O 2.8Å; I355-K375 HydrophobicContact CG2-CB 4.4Å; I355-V376 CarbonylContact C-O 3.51Å; I355-V376 VanDerWaalsContact CA-O 3.25Å; I355-V376 WeakPolarHBondContact CA-O 3.39Å; I355-C377 HydrophobicContact CG1-CB 4.32Å |
| 356 | Y | 96.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.7 | 173.1 | -70.9 | -104.6 | 0 | 0 | 0 | 110.2 | Y325 S326 A327 L350 L351 T354 K375 V376 T378 | Y325-Y356 HydrophobicContact CD2-CD1 4.1Å; Y325-Y356 HydrophobicContact CD2-CE1 4.43Å; S326-Y356 VanDerWaalsContact C-CD1 3.43Å; S326-Y356 VanDerWaalsContact O-CA 3.27Å; S326-Y356 WeakPolarHBondContact O-CA 3.4Å; A327-Y356 HydrophobicContact CB-CD1 4.12Å; A327-Y356 HydrophobicContact CB-CE1 3.77Å; L350-Y356 HydrophobicContact CB-CE2 4Å; L350-Y356 HydrophobicContact CD2-CD1 4.29Å; L350-Y356 HydrophobicContact CD2-CE1 3.86Å; L350-Y356 HydrophobicContact CD2-CE2 4.3Å; L351-Y356 PolarHBondContact N-OH 3.22Å; T354-Y356 HydrophobicContact CG2-CD2 4.11Å; T354-Y356 HydrophobicContact CG2-CE2 3.65Å; Y356-K375 WeakPolarHBondContact O-CA 3.29Å; Y356-V376 PolarHBondContact N-O 3.38Å; Y356-V376 WeakPolarHBondContact O-CG2 3.41Å; Y356-V376 PolarHBondContact O-N 3.01Å; Y356-T378 HydrophobicContact CE2-CG2 4.46Å |
| 357 | L | 97.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 31% | 0.309 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.9 | 162.3 | 179.9 | 65.5 | 0 | 0 | 0 | 107.3 | Y325 S326 L328 K375 | Y325-L357 VanDerWaalsContact CA-O 3.23Å; Y325-L357 WeakPolarHBondContact CA-O 3.23Å; S326-L357 PolarHBondContact N-O 2.92Å; S326-L357 PolarHBondContact O-N 2.77Å; L328-L357 HydrophobicContact CD1-CB 4.25Å; L328-L357 HydrophobicContact CD2-CB 4.24Å; L328-L357 HydrophobicContact CG-CB 4.27Å; L357-K375 HydrophobicContact CD1-CG 4.17Å |
| 358 | V | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.9 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | V308 I323 E324 L347 V360 S373 V374 V376 | V308-V358 HydrophobicContact CG1-CG1 4.12Å; V308-V358 HydrophobicContact CG2-CG1 4.16Å; V308-V358 HydrophobicContact CG2-CG2 4.33Å; I323-V358 HydrophobicContact CG2-CG1 3.61Å; E324-V358 CarbonylContact O-C 3.3Å; E324-V358 WeakPolarHBondContact O-CA 3.48Å; L347-V358 HydrophobicContact CD1-CG1 4.32Å; L347-V358 HydrophobicContact CD1-CG2 3.74Å; V358-V360 HydrophobicContact CG1-CG2 4.49Å; V358-S373 CarbonylContact O-C 3.43Å; V358-S373 WeakPolarHBondContact O-CA 3.48Å; V358-V374 HydrophobicContact CB-CG1 4.27Å; V358-V374 PolarHBondContact N-O 3.21Å; V358-V374 PolarHBondContact O-N 2.93Å; V358-V376 HydrophobicContact CB-CG2 4.38Å; V358-V376 HydrophobicContact CG2-CG2 3.33Å |
| 359 | T | 97.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.5 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 109 | I323 E324 M372 S373 | I323-T359 CarbonylContact C-O 3.46Å; I323-T359 WeakPolarHBondContact CA-O 3.46Å; E324-T359 PolarHBondContact N-O 2.71Å; E324-T359 PolarHBondContact O-N 2.96Å; T359-M372 WeakPolarHBondContact CA-O 3.35Å; T359-S373 WeakPolarHBondContact CG2-OG 3.45Å; T359-S373 PolarHBondContact OG1-OG 2.89Å |
| 360 | V | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.7 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | P293 V296 V308 W310 Y321 I323 V358 S371 M372 | P293-V360 HydrophobicContact CG-CB 4.49Å; P293-V360 HydrophobicContact CG-CG1 4.38Å; P293-V360 WeakPolarHBondContact CG-O 3.45Å; V296-V360 HydrophobicContact CG1-CG2 3.91Å; V296-V360 HydrophobicContact CG2-CB 4.01Å; V296-V360 HydrophobicContact CG2-CG2 4.04Å; V308-V360 HydrophobicContact CG1-CG2 3.92Å; W310-V360 HydrophobicContact CB-CG1 4.24Å; W310-V360 HydrophobicContact CD2-CG1 3.78Å; W310-V360 HydrophobicContact CE3-CG1 3.93Å; W310-V360 HydrophobicContact CE3-CG2 4.12Å; W310-V360 HydrophobicContact CG-CG1 3.92Å; Y321-V360 HydrophobicContact CD1-CG1 4.32Å; I323-V360 HydrophobicContact CG1-CG1 4.41Å; I323-V360 HydrophobicContact CG1-CG2 4.21Å; I323-V360 HydrophobicContact CG2-CG2 4.49Å; V358-V360 HydrophobicContact CG1-CG2 4.49Å; V360-S371 CarbonylContact O-C 3.59Å; V360-S371 VanDerWaalsContact O-CA 3.27Å; V360-S371 WeakPolarHBondContact O-CA 3.46Å; V360-M372 PolarHBondContact N-O 2.81Å; V360-M372 PolarHBondContact O-N 2.97Å |
| 361 | T | 97.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.8 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | Y321 Y322 Q369 K370 S371 | Y321-T361 CarbonylContact C-O 3.44Å; Y321-T361 WeakPolarHBondContact CA-O 3.48Å; Y322-T361 PolarHBondContact N-O 3.14Å; Y322-T361 PolarHBondContact O-N 2.89Å; T361-Q369 HydrophobicContact CG2-CB 4.09Å; T361-Q369 HydrophobicContact CG2-CG 4.45Å; T361-K370 CarbonylContact C-O 3.54Å; T361-K370 WeakPolarHBondContact CA-O 3.36Å; T361-S371 WeakPolarHBondContact CB-OG 3.37Å; T361-S371 VanDerWaalsContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact OG1-CB 3.28Å; T361-S371 PolarHBondContact OG1-OG 2.8Å |
| 362 | A | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S292 V318 Y321 Q369 K370 | S292-A362 WeakPolarHBondContact O-CB 3.44Å; V318-A362 HydrophobicContact CG1-CB 4.25Å; V318-A362 HydrophobicContact CG2-CB 4.09Å; Y321-A362 HydrophobicContact CD1-CB 3.82Å; Y321-A362 HydrophobicContact CE1-CB 3.56Å; A362-Q369 VanDerWaalsContact O-CA 3.29Å; A362-Q369 WeakPolarHBondContact O-CA 3.22Å; A362-K370 PolarHBondContact N-O 3.45Å; A362-K370 PolarHBondContact O-N 3.09Å; A362-K370 VanDerWaalsContact O-N 3.15Å |
| 363 | R | 94.1 | Very high | 92.8 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 48% | 0.475 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 114.3 | 173.2 | -175.4 | 171.4 | 62.2 | 152.9 | 0.9 | 110.2 | T319 S320 Q369 | T319-R363 PolarHBondContact N-O 2.87Å; T319-R363 PolarHBondContact OG1-O 3.17Å; S320-R363 PolarHBondContact O-N 2.95Å; S320-R363 PolarHBondContact OG-NE 3.22Å; S320-R363 VanDerWaalsContact OG-NE 3.13Å; S320-R363 PolarHBondContact OG-NH2 2.81Å; R363-Q369 HydrophobicContact CB-CG 4.46Å; R363-Q369 HydrophobicContact CG-CG 4.32Å |
| 364 | H | 88.6 | Confident | 93.3 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 155.7 | -179.1 | -66.2 | -98.6 | 0 | 0 | 0 | 112.2 | T317 S366 G367 K368 | T317-H364 CarbonylContact O-C 3.55Å; T317-H364 WeakPolarHBondContact O-CA 3.24Å; T317-H364 WeakPolarHBondContact O-CB 3.21Å; T317-H364 PolarHBondContact O-ND1 2.65Å; T317-H364 PolarHBondContact OG1-ND1 2.92Å; H364-S366 PolarHBondContact O-N 2.71Å; H364-G367 PolarHBondContact O-N 2.68Å; H364-K368 HydrophobicContact CB-CB 4.47Å; H364-K368 WeakPolarHBondContact CB-O 3.39Å; H364-K368 PolarHBondContact N-O 3.12Å |
| 365 | A | 84.9 | Confident | 93.6 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T317 T319 G367 | T317-A365 PolarHBondContact O-N 2.97Å; T319-A365 HydrophobicContact CG2-CB 3.89Å; A365-G367 PolarHBondContact O-N 2.91Å |
| 366 | S | 83.9 | Confident | 93.6 | Very high | 92 Ų | 92 | 57.1 Ų | 57.1 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.1 | 173 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | H364 K368 | H364-S366 PolarHBondContact O-N 2.71Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 3.49Å; S366-K368 PolarHBondContact OG-N 3.24Å |
| 367 | G | 84.7 | Confident | 93.4 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 86 | -10.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H364 A365 | H364-G367 PolarHBondContact O-N 2.68Å; A365-G367 PolarHBondContact O-N 2.91Å |
| 368 | K | 86.6 | Confident | 93.2 | Very high | 136 Ų | 136 | 57.1 Ų | 57.1 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | trans | -64.8 | 146.7 | 173.4 | -68.7 | -174.5 | 177.9 | -177.8 | 0 | 111.1 | H364 S366 | H364-K368 HydrophobicContact CB-CB 4.47Å; H364-K368 WeakPolarHBondContact CB-O 3.39Å; H364-K368 PolarHBondContact N-O 3.12Å; S366-K368 VanDerWaalsContact C-N 3.29Å; S366-K368 PolarHBondContact O-N 3.49Å; S366-K368 PolarHBondContact OG-N 3.24Å | ||
| 369 | Q | 92.8 | Very high | 92.8 | Very high | 133 Ų | 133 | 62.5 Ų | 62.5 | 62% | 0.621 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141 | 175.5 | -65.3 | -177.3 | -2.6 | 0 | 0 | 110.2 | T361 A362 R363 | T361-Q369 HydrophobicContact CG2-CB 4.09Å; T361-Q369 HydrophobicContact CG2-CG 4.45Å; A362-Q369 VanDerWaalsContact O-CA 3.29Å; A362-Q369 WeakPolarHBondContact O-CA 3.22Å; R363-Q369 HydrophobicContact CB-CG 4.46Å; R363-Q369 HydrophobicContact CG-CG 4.32Å |
| 370 | K | 93.2 | Very high | 92.2 | Very high | 63 Ų | 63 | 62 Ų | 62 | 27% | 0.274 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.5 | 172.3 | -178.7 | 173.8 | -179.8 | 179.8 | 0 | 109.2 | E291 S292 P293 T361 A362 | E291-K370 HydrophobicContact CB-CD 3.48Å; E291-K370 VanDerWaalsContact CB-CD 3.48Å; E291-K370 WeakPolarHBondContact O-CE 3.37Å; E291-K370 PolarHBondContact O-NZ 3.21Å; S292-K370 WeakPolarHBondContact O-CB 3.21Å; P293-K370 VanDerWaalsContact CD-O 3.25Å; P293-K370 WeakPolarHBondContact CD-O 3.35Å; P293-K370 WeakPolarHBondContact O-CE 3.3Å; T361-K370 CarbonylContact C-O 3.54Å; T361-K370 WeakPolarHBondContact CA-O 3.36Å; A362-K370 PolarHBondContact N-O 3.45Å; A362-K370 PolarHBondContact O-N 3.09Å; A362-K370 VanDerWaalsContact O-N 3.15Å |
| 371 | S | 96.1 | Very high | 91.5 | Very high | 66 Ų | 66 | 64.8 Ų | 64.8 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.4 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | V360 T361 | V360-S371 CarbonylContact O-C 3.59Å; V360-S371 VanDerWaalsContact O-CA 3.27Å; V360-S371 WeakPolarHBondContact O-CA 3.46Å; T361-S371 WeakPolarHBondContact CB-OG 3.37Å; T361-S371 VanDerWaalsContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact CG2-OG 3.31Å; T361-S371 WeakPolarHBondContact OG1-CB 3.28Å; T361-S371 PolarHBondContact OG1-OG 2.8Å |
| 372 | M | 96.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 66.3 Ų | 66.3 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141 | 170.9 | 178.5 | 167.3 | -78.7 | 0 | 0 | 109.7 | P293 A294 V295 V296 T359 V360 | P293-M372 HydrophobicContact CB-CB 4.47Å; P293-M372 HydrophobicContact CG-CB 3.93Å; A294-M372 WeakPolarHBondContact O-CE 3.3Å; V295-M372 VanDerWaalsContact CA-SD 3.54Å; V296-M372 HydrophobicContact CB-CG 4.23Å; V296-M372 HydrophobicContact CB-SD 4.33Å; V296-M372 HydrophobicContact CG2-CB 3.73Å; V296-M372 HydrophobicContact CG2-CG 3.71Å; V296-M372 HydrophobicContact CG2-SD 4.01Å; T359-M372 WeakPolarHBondContact CA-O 3.35Å; V360-M372 PolarHBondContact N-O 2.81Å; V360-M372 PolarHBondContact O-N 2.97Å |
| 373 | S | 96.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 46% | 0.462 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.1 | -176.4 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | V358 T359 | V358-S373 CarbonylContact O-C 3.43Å; V358-S373 WeakPolarHBondContact O-CA 3.48Å; T359-S373 WeakPolarHBondContact CG2-OG 3.45Å; T359-S373 PolarHBondContact OG1-OG 2.89Å |
| 374 | V | 97.1 | Very high | 89.4 | Confident | 35 Ų | 35 | 65.2 Ų | 65.2 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.5 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 110.2 | V296 V298 V358 V376 | V296-V374 HydrophobicContact CG1-CB 4.31Å; V296-V374 HydrophobicContact CG1-CG1 3.7Å; V298-V374 HydrophobicContact CG2-CG1 4Å; V298-V374 HydrophobicContact CG2-CG2 3.99Å; V358-V374 HydrophobicContact CB-CG1 4.27Å; V358-V374 PolarHBondContact N-O 3.21Å; V358-V374 PolarHBondContact O-N 2.93Å; V374-V376 HydrophobicContact CG1-CG1 4.48Å |
| 375 | K | 96.1 | Very high | 89.3 | Confident | 148 Ų | 148 | 65 Ų | 65 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.6 | 169.4 | -70.4 | -179.6 | -179 | 174.9 | 0 | 109.8 | L328 I355 Y356 L357 | L328-K375 HydrophobicContact CD1-CD 4.42Å; I355-K375 HydrophobicContact CG2-CB 4.4Å; Y356-K375 WeakPolarHBondContact O-CA 3.29Å; L357-K375 HydrophobicContact CD1-CG 4.17Å |
| 376 | V | 94.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.6 | 179.3 | -83.6 | 0 | 0 | 0 | 0 | 110.1 | V298 V306 I355 Y356 V358 V374 | V298-V376 HydrophobicContact CB-CG1 3.86Å; V298-V376 HydrophobicContact CG1-CB 4.46Å; V298-V376 HydrophobicContact CG1-CG1 3.38Å; V298-V376 HydrophobicContact CG2-CG1 3.14Å; V306-V376 HydrophobicContact CG1-CB 4.26Å; V306-V376 HydrophobicContact CG1-CG1 3.92Å; I355-V376 CarbonylContact C-O 3.51Å; I355-V376 VanDerWaalsContact CA-O 3.25Å; I355-V376 WeakPolarHBondContact CA-O 3.39Å; Y356-V376 PolarHBondContact N-O 3.38Å; Y356-V376 WeakPolarHBondContact O-CG2 3.41Å; Y356-V376 PolarHBondContact O-N 3.01Å; V358-V376 HydrophobicContact CB-CG2 4.38Å; V358-V376 HydrophobicContact CG2-CG2 3.33Å; V374-V376 HydrophobicContact CG1-CG1 4.48Å |
| 377 | C | 92.3 | Very high | 89.7 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.1 | 176.1 | -163.8 | 0 | 0 | 0 | 0 | 108.8 | I355 | I355-C377 HydrophobicContact CG1-CB 4.32Å |
| 378 | T | 92.3 | Very high | 90.1 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 153.7 | 169.2 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | G302 E303 V306 L350 L351 G353 T354 Y356 | G302-T378 WeakPolarHBondContact O-CA 3.28Å; E303-T378 WeakPolarHBondContact O-CB 3.15Å; V306-T378 HydrophobicContact CG2-CG2 3.87Å; L350-T378 HydrophobicContact CB-CG2 3.69Å; L350-T378 HydrophobicContact CD1-CG2 3.7Å; L350-T378 HydrophobicContact CG-CG2 4.37Å; L351-T378 WeakPolarHBondContact O-CB 3.48Å; L351-T378 PolarHBondContact O-OG1 3.04Å; G353-T378 WeakPolarHBondContact CA-O 3.47Å; G353-T378 PolarHBondContact N-O 2.85Å; G353-T378 PolarHBondContact N-OG1 2.69Å; G353-T378 VanDerWaalsContact N-OG1 3.15Å; T354-T378 PolarHBondContact N-OG1 3.48Å; T354-T378 PolarHBondContact O-N 3.28Å; T354-T378 VanDerWaalsContact O-N 3.11Å; T354-T378 PolarHBondContact O-OG1 2.83Å; Y356-T378 HydrophobicContact CE2-CG2 4.46Å |
| 379 | Q | 89 | Confident | 90.4 | Very high | 112 Ų | 112 | 62.3 Ų | 62.3 | 52% | 0.523 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 147.9 | 174.1 | -67.8 | -178.4 | -18.7 | 0 | 0 | 110.7 | S301 G302 E303 P352 G353 | S301-Q379 WeakPolarHBondContact O-CG 3.36Å; S301-Q379 PolarHBondContact O-NE2 3.31Å; G302-Q379 PolarHBondContact O-N 2.84Å; E303-Q379 WeakPolarHBondContact CA-O 3.33Å; E303-Q379 HydrophobicContact CG-CB 4.21Å; P352-Q379 CarbonylContact C-O 3.5Å; P352-Q379 WeakPolarHBondContact CA-O 3.48Å; P352-Q379 WeakPolarHBondContact CB-O 3.43Å; G353-Q379 PolarHBondContact N-O 3.35Å |
| 380 | E | 85.4 | Confident | 90.4 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 138.9 | 174.1 | -169.9 | 174.3 | -151.1 | 0 | 0 | 109.2 | T382 R457 T458 | E380-T382 PolarHBondContact O-N 3.47Å; E380-R457 WeakPolarHBondContact OE1-CB 3.28Å; E380-R457 IonicContact OE1-NH2 2.7Å; E380-R457 WeakPolarHBondContact OE2-CA 3.28Å; E380-R457 VanDerWaalsContact OE2-CB 3.29Å; E380-R457 WeakPolarHBondContact OE2-CB 3.45Å; E380-R457 PolarHBondContact OE2-N 2.99Å; E380-T458 WeakPolarHBondContact CB-OG1 3.46Å; E380-T458 PolarHBondContact OE2-N 2.75Å; E380-T458 PolarHBondContact OE2-OG1 3.05Å |
| 381 | V | 82.9 | Confident | 90.2 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 35% | 0.352 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 133 | 170.5 | -168.3 | 0 | 0 | 0 | 0 | 108 | E303 P352 P383 | E303-V381 HydrophobicContact CG-CG2 4.5Å; P352-V381 HydrophobicContact CB-CG2 3.48Å; P352-V381 VanDerWaalsContact CB-CG2 3.48Å; P352-V381 HydrophobicContact CG-CG2 3.49Å; P352-V381 VanDerWaalsContact CG-CG2 3.49Å; V381-P383 VanDerWaalsContact C-CD 3.47Å; V381-P383 HydrophobicContact CG1-CG 4.06Å; V381-P383 WeakPolarHBondContact O-CD 3.36Å |
| 382 | T | 81.8 | Confident | 89.6 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | trans | -119.8 | 76.7 | 178.4 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | E380 Y456 A459 | E380-T382 PolarHBondContact O-N 3.47Å; T382-Y456 HydrophobicContact CG2-CD2 3.55Å; T382-Y456 HydrophobicContact CG2-CE2 4.28Å; T382-Y456 HydrophobicContact CG2-CG 3.92Å; T382-A459 HydrophobicContact CG2-CB 4.31Å | ||
| 383 | P | 81.8 | Confident | 89.1 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145 | -179.6 | -28.8 | 38.5 | 0 | 0 | 0 | 113.6 | V381 A406 P454 Y456 | V381-P383 VanDerWaalsContact C-CD 3.47Å; V381-P383 HydrophobicContact CG1-CG 4.06Å; V381-P383 WeakPolarHBondContact O-CD 3.36Å; P383-A406 HydrophobicContact CB-CB 3.98Å; P383-A406 HydrophobicContact CG-CB 3.61Å; P383-P454 VanDerWaalsContact O-CG 3.31Å; P383-P454 WeakPolarHBondContact O-CG 3.4Å; P383-Y456 WeakPolarHBondContact CD-OH 3.44Å; P383-Y456 PolarHBondContact O-OH 2.91Å |
| 384 | A | 81.3 | Confident | 88.2 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -76 | 168 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | D462 | A384-D462 WeakPolarHBondContact CA-O 3.46Å; A384-D462 HydrophobicContact CB-CB 4.12Å |
| 385 | L | 86.1 | Confident | 87.4 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 146 | 166.8 | -63.3 | 176.1 | 0 | 0 | 0 | 110.6 | W402 Y412 V452 P454 L464 | L385-W402 HydrophobicContact CD1-CB 4.35Å; L385-Y412 HydrophobicContact CD2-CD1 4.06Å; L385-Y412 HydrophobicContact CD2-CE1 3.64Å; L385-V452 HydrophobicContact CD1-CB 3.69Å; L385-V452 HydrophobicContact CD1-CG1 3.72Å; L385-V452 WeakPolarHBondContact CD1-O 3.49Å; L385-P454 HydrophobicContact CD2-CB 4.46Å; L385-P454 HydrophobicContact CD2-CG 4.44Å; L385-P454 HydrophobicContact CG-CG 4.45Å; L385-L464 HydrophobicContact CB-CD1 3.74Å; L385-L464 HydrophobicContact CB-CG 4.01Å |
| 386 | D | 86.8 | Confident | 86.8 | Confident | 130 Ų | 130 | 56 Ų | 56 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -79 | -40 | 177.8 | -62.2 | -42.7 | 0 | 0 | 0 | 111.5 | R403 G404 | D386-R403 HydrophobicContact CB-CB 4.22Å; D386-R403 PolarHBondContact N-O 2.83Å; D386-G404 VanDerWaalsContact OD2-CA 3.25Å; D386-G404 WeakPolarHBondContact OD2-CA 3.47Å; D386-G404 PolarHBondContact OD2-N 3.04Å |
| 387 | D | 90.1 | Very high | 86.5 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 31% | 0.305 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.7 | -176.2 | -169.2 | 23.4 | 0 | 0 | 0 | 111.7 | Q389 W402 R403 | D387-Q389 WeakPolarHBondContact OD2-CG 2.97Å; D387-Q389 PolarHBondContact OD2-NE2 2.97Å; D387-W402 CarbonylContact O-C 3.59Å; D387-W402 VanDerWaalsContact O-CA 3.24Å; D387-W402 WeakPolarHBondContact O-CA 3.33Å; D387-W402 WeakPolarHBondContact O-CB 3.48Å; D387-R403 HydrophobicContact CB-CB 4.22Å; D387-R403 PolarHBondContact N-O 3.12Å; D387-R403 PolarHBondContact O-N 3.15Å |
| 388 | L | 92.9 | Very high | 86.4 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 119.7 | 173.9 | 176.6 | 63.6 | 0 | 0 | 0 | 109.9 | V400 W402 V452 L464 C466 | L388-V400 HydrophobicContact CD1-CG1 3.7Å; L388-W402 HydrophobicContact CD1-CB 4.17Å; L388-V452 HydrophobicContact CD1-CB 4.33Å; L388-V452 HydrophobicContact CD1-CG2 3.53Å; L388-V452 HydrophobicContact CD2-CG2 4.19Å; L388-L464 HydrophobicContact CB-CB 3.76Å; L388-L464 HydrophobicContact CB-CD1 3.98Å; L388-L464 HydrophobicContact CD2-CB 3.91Å; L388-L464 WeakPolarHBondContact CD2-O 3.38Å; L388-L464 HydrophobicContact CG-CB 4.49Å; L388-C466 HydrophobicContact CD2-CB 4.17Å; L388-C466 HydrophobicContact CG-CB 4.46Å; L388-C466 PolarHBondContact O-SG 3Å |
| 389 | Q | 92.8 | Very high | 86.5 | Confident | 108 Ų | 108 | 55 Ų | 55 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.3 | 178.5 | -59.9 | -168.8 | 8.6 | 0 | 0 | 111.1 | D387 D401 | D387-Q389 WeakPolarHBondContact OD2-CG 2.97Å; D387-Q389 PolarHBondContact OD2-NE2 2.97Å; Q389-D401 PolarHBondContact N-O 2.73Å; Q389-D401 PolarHBondContact O-N 3.01Å |
| 390 | L | 91.9 | Very high | 86.8 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.9 | 175.6 | -60.7 | -179.3 | 0 | 0 | 0 | 108.9 | V398 Q399 V400 V450 C466 A468 | L390-V398 HydrophobicContact CB-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG1 3.76Å; L390-V398 HydrophobicContact CG-CG1 4.28Å; L390-Q399 WeakPolarHBondContact CA-O 3.33Å; L390-V400 HydrophobicContact CD2-CB 4.1Å; L390-V400 HydrophobicContact CD2-CG1 3.78Å; L390-V400 HydrophobicContact CD2-CG2 3.75Å; L390-V450 HydrophobicContact CD1-CB 4.17Å; L390-V450 HydrophobicContact CD1-CG2 4.31Å; L390-V450 HydrophobicContact CD2-CB 4.13Å; L390-V450 HydrophobicContact CD2-CG1 4.23Å; L390-V450 HydrophobicContact CD2-CG2 4.43Å; L390-C466 HydrophobicContact CD1-CB 3.38Å; L390-C466 HydrophobicContact CG-CB 3.77Å; L390-A468 HydrophobicContact CD1-CB 4.13Å |
| 391 | T | 90.1 | Very high | 87.2 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.6 | 173.4 | -53.3 | 0 | 0 | 0 | 0 | 109 | V393 V398 Q399 | T391-V393 HydrophobicContact CG2-CG2 4.41Å; T391-V393 WeakPolarHBondContact O-CG2 3.34Å; T391-V393 PolarHBondContact O-N 2.92Å; T391-V398 CarbonylContact O-C 3.59Å; T391-V398 WeakPolarHBondContact O-CA 3.45Å; T391-Q399 PolarHBondContact N-O 2.85Å; T391-Q399 PolarHBondContact O-N 3.16Å |
| 392 | T | 84.2 | Confident | 87.7 | Confident | 77 Ų | 77 | 48.9 Ų | 48.9 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 110 | V398 F470 | T392-V398 HydrophobicContact CG2-CG2 4.16Å; T392-F470 HydrophobicContact CG2-CD1 4.22Å; T392-F470 HydrophobicContact CG2-CE1 4.13Å |
| 393 | V | 84 | Confident | 88 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | trans | -126.9 | 36.8 | -177.5 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | T391 S397 Q399 | T391-V393 HydrophobicContact CG2-CG2 4.41Å; T391-V393 WeakPolarHBondContact O-CG2 3.34Å; T391-V393 PolarHBondContact O-N 2.92Å; V393-S397 PolarHBondContact N-O 3.47Å; V393-S397 PolarHBondContact O-OG 3.4Å; V393-S397 VanDerWaalsContact O-OG 3.11Å; V393-Q399 HydrophobicContact CG2-CB 3.75Å | ||
| 394 | G | 78.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 49% | 0.485 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 152.8 | -176.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A396 F470 | G394-A396 VanDerWaalsContact C-N 3.28Å; G394-A396 PolarHBondContact O-N 2.84Å; G394-F470 WeakPolarHBondContact O-CD1 3.25Å |
| 395 | S | 80.4 | Confident | 87.4 | Confident | 109 Ų | 109 | 56 Ų | 56 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -72.1 | -15.5 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | F470 | S395-F470 WeakPolarHBondContact O-CD1 3.48Š|
| 396 | A | 83.3 | Confident | 86.7 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -151.1 | 27.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G394 T442 H443 L444 | G394-A396 VanDerWaalsContact C-N 3.28Å; G394-A396 PolarHBondContact O-N 2.84Å; A396-T442 CarbonylContact O-C 3.5Å; A396-H443 PolarHBondContact O-N 3.18Å; A396-L444 PolarHBondContact O-N 3.34Å |
| 397 | S | 87.9 | Confident | 85.9 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139 | -179.7 | 73.9 | 0 | 0 | 0 | 0 | 112.6 | V393 R440 L441 | V393-S397 PolarHBondContact N-O 3.47Å; V393-S397 PolarHBondContact O-OG 3.4Å; V393-S397 VanDerWaalsContact O-OG 3.11Å; S397-R440 PolarHBondContact OG-NH1 2.83Å; S397-L441 CarbonylContact C-O 3.55Å; S397-L441 VanDerWaalsContact CA-O 3.25Å; S397-L441 WeakPolarHBondContact CA-O 3.31Å; S397-L441 WeakPolarHBondContact CB-O 3.21Å |
| 398 | V | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130.3 | -177.8 | 168.8 | 0 | 0 | 0 | 0 | 108.9 | L390 T391 T392 V400 L441 L444 A468 F470 | L390-V398 HydrophobicContact CB-CG1 3.82Å; L390-V398 HydrophobicContact CD2-CG1 3.76Å; L390-V398 HydrophobicContact CG-CG1 4.28Å; T391-V398 CarbonylContact O-C 3.59Å; T391-V398 WeakPolarHBondContact O-CA 3.45Å; T392-V398 HydrophobicContact CG2-CG2 4.16Å; V398-V400 HydrophobicContact CG1-CG2 4.05Å; V398-L441 PolarHBondContact N-O 2.76Å; V398-L441 PolarHBondContact O-N 2.78Å; V398-L444 HydrophobicContact CB-CD1 4.26Å; V398-L444 HydrophobicContact CG2-CD1 4.46Å; V398-A468 HydrophobicContact CG2-CB 3.53Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å; V398-F470 HydrophobicContact CG2-CE2 4.32Å; V398-F470 HydrophobicContact CG2-CZ 3.34Å |
| 399 | Q | 93.6 | Very high | 85 | Confident | 42 Ų | 42 | 55 Ų | 55 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 122.8 | 163.1 | -177.1 | 68.1 | 23.5 | 0 | 0 | 107.7 | L390 T391 V393 D401 | L390-Q399 WeakPolarHBondContact CA-O 3.33Å; T391-Q399 PolarHBondContact N-O 2.85Å; T391-Q399 PolarHBondContact O-N 3.16Å; V393-Q399 HydrophobicContact CG2-CB 3.75Å; Q399-D401 VanDerWaalsContact CG-OD2 3.31Å; Q399-D401 WeakPolarHBondContact CG-OD2 3.39Å; Q399-D401 PolarHBondContact NE2-OD1 2.75Å |
| 400 | V | 94.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.2 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 106.8 | L388 L390 V398 W402 L414 S438 T439 L441 V450 V452 | L388-V400 HydrophobicContact CD1-CG1 3.7Å; L390-V400 HydrophobicContact CD2-CB 4.1Å; L390-V400 HydrophobicContact CD2-CG1 3.78Å; L390-V400 HydrophobicContact CD2-CG2 3.75Å; V398-V400 HydrophobicContact CG1-CG2 4.05Å; V400-W402 HydrophobicContact CB-CZ3 4.21Å; V400-W402 HydrophobicContact CG1-CE3 3.91Å; V400-W402 HydrophobicContact CG1-CZ3 3.96Å; V400-W402 WeakPolarHBondContact O-CZ3 3.38Å; V400-L414 HydrophobicContact CG1-CD2 4.35Å; V400-S438 CarbonylContact O-C 3.57Å; V400-S438 WeakPolarHBondContact O-CA 3.48Å; V400-S438 WeakPolarHBondContact O-CB 3.45Å; V400-T439 HydrophobicContact CB-CG2 4.33Å; V400-T439 PolarHBondContact N-O 2.83Å; V400-T439 PolarHBondContact O-N 2.88Å; V400-L441 HydrophobicContact CG2-CD1 3.74Å; V400-L441 HydrophobicContact CG2-CG 3.83Å; V400-V450 HydrophobicContact CG1-CG1 4.29Å; V400-V450 HydrophobicContact CG2-CG1 4.16Å; V400-V452 HydrophobicContact CG1-CG2 3.92Å |
| 401 | D | 94.4 | Very high | 84.8 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.6 | 178.6 | -55.9 | -73.8 | 0 | 0 | 0 | 108.6 | Q389 Q399 S438 | Q389-D401 PolarHBondContact N-O 2.73Å; Q389-D401 PolarHBondContact O-N 3.01Å; Q399-D401 VanDerWaalsContact CG-OD2 3.31Å; Q399-D401 WeakPolarHBondContact CG-OD2 3.39Å; Q399-D401 PolarHBondContact NE2-OD1 2.75Å; D401-S438 WeakPolarHBondContact OD1-CB 3.38Å |
| 402 | W | 93.3 | Very high | 84.9 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158 | 178.1 | 57.4 | 94 | 0 | 0 | 0 | 111.8 | L385 D387 L388 V400 Y412 L414 L432 S436 L437 T439 V452 | L385-W402 HydrophobicContact CD1-CB 4.35Å; D387-W402 CarbonylContact O-C 3.59Å; D387-W402 VanDerWaalsContact O-CA 3.24Å; D387-W402 WeakPolarHBondContact O-CA 3.33Å; D387-W402 WeakPolarHBondContact O-CB 3.48Å; L388-W402 HydrophobicContact CD1-CB 4.17Å; V400-W402 HydrophobicContact CB-CZ3 4.21Å; V400-W402 HydrophobicContact CG1-CE3 3.91Å; V400-W402 HydrophobicContact CG1-CZ3 3.96Å; V400-W402 WeakPolarHBondContact O-CZ3 3.38Å; W402-Y412 AromaticContact CD1-CD1 3.99Å; W402-Y412 AromaticContact CD1-CE1 3.72Å; W402-Y412 AromaticContact CD1-CZ 3.92Å; W402-Y412 AromaticContact CE2-CG 4Å; W402-Y412 HydrophobicContact CZ2-CD2 4.01Å; W402-Y412 HydrophobicContact CZ2-CG 4.15Å; W402-Y412 AromaticContact NE1-CD1 3.47Å; W402-Y412 AromaticContact NE1-CD2 3.51Å; W402-Y412 AromaticContact NE1-CE1 3.42Å; W402-Y412 AromaticContact NE1-CE2 3.45Å; W402-Y412 AromaticContact NE1-CG 3.5Å; W402-Y412 AromaticContact NE1-CZ 3.38Å; W402-L414 HydrophobicContact CH2-CD1 4.24Å; W402-L414 HydrophobicContact CH2-CD2 4.16Å; W402-L414 HydrophobicContact CZ3-CD2 3.96Å; W402-L432 HydrophobicContact CH2-CD1 3.5Å; W402-L432 HydrophobicContact CZ2-CD1 3.98Å; W402-S436 WeakPolarHBondContact CZ2-O 3.38Å; W402-S436 PolarHBondContact NE1-O 2.88Å; W402-S436 VanDerWaalsContact NE1-O 3.16Å; W402-L437 PolarHBondContact N-O 2.77Å; W402-T439 HydrophobicContact CH2-CG2 4.12Å; W402-T439 HydrophobicContact CZ3-CG2 4.07Å; W402-V452 HydrophobicContact CD2-CG1 3.95Å; W402-V452 HydrophobicContact CE3-CG1 4.27Å; W402-V452 HydrophobicContact CE3-CG2 4.23Å; W402-V452 HydrophobicContact CG-CG1 4.17Å |
| 403 | R | 89.6 | Confident | 85.3 | Confident | 177 Ų | 177 | 50.5 Ų | 50.5 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.9 | 173.6 | -65.9 | -173.5 | 179 | -168.4 | 1.6 | 110.7 | D386 D387 | D386-R403 HydrophobicContact CB-CB 4.22Å; D386-R403 PolarHBondContact N-O 2.83Å; D387-R403 HydrophobicContact CB-CB 4.22Å; D387-R403 PolarHBondContact N-O 3.12Å; D387-R403 PolarHBondContact O-N 3.15Å |
| 404 | G | 79.4 | Confident | 85.8 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | trans | 132.5 | 131.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110 | D386 Y412 | D386-G404 VanDerWaalsContact OD2-CA 3.25Å; D386-G404 WeakPolarHBondContact OD2-CA 3.47Å; D386-G404 PolarHBondContact OD2-N 3.04Å; G404-Y412 PolarHBondContact O-OH 3.07Å | ||
| 405 | S | 69.4 | Low | 86.4 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 76% | 0.755 | 27% | 0.266 | S | S | * | . | trans | -151.8 | 127.6 | 169 | 68.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 406 | A | 71.6 | Confident | 86.9 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | trans | -126.4 | 155.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P383 G408 L409 Y456 | P383-A406 HydrophobicContact CB-CB 3.98Å; P383-A406 HydrophobicContact CG-CB 3.61Å; A406-G408 PolarHBondContact O-N 3.43Å; A406-L409 VanDerWaalsContact O-CB 3.3Å; A406-L409 WeakPolarHBondContact O-CB 3.3Å; A406-L409 PolarHBondContact O-N 2.95Å; A406-Y456 HydrophobicContact CB-CE1 4.22Å | ||
| 407 | A | 71.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 44.4 Ų | 44.4 | 85% | 0.851 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 133.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 408 | G | 77 | Confident | 86.8 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 33% | 0.33 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -4.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A406 R410 | A406-G408 PolarHBondContact O-N 3.43Å; G408-R410 PolarHBondContact O-N 3.49Å |
| 409 | L | 85.9 | Confident | 85.7 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | trans | -58.2 | 129.3 | 174.5 | -174.3 | 75.7 | 0 | 0 | 0 | 111.3 | A406 G411 Y412 P434 P454 Y456 | A406-L409 VanDerWaalsContact O-CB 3.3Å; A406-L409 WeakPolarHBondContact O-CB 3.3Å; A406-L409 PolarHBondContact O-N 2.95Å; L409-G411 WeakPolarHBondContact CD1-O 3.31Å; L409-Y412 HydrophobicContact CD1-CE1 4.26Å; L409-Y412 HydrophobicContact CD2-CE1 4.05Å; L409-Y412 HydrophobicContact CD2-CE2 3.82Å; L409-Y412 VanDerWaalsContact CD2-CZ 3.43Å; L409-Y412 WeakPolarHBondContact CD2-OH 3.2Å; L409-P434 HydrophobicContact CB-CB 4.48Å; L409-P434 HydrophobicContact CD2-CB 3.83Å; L409-P434 HydrophobicContact CG-CB 4Å; L409-P454 HydrophobicContact CD1-CB 3.59Å; L409-Y456 HydrophobicContact CB-CE1 4.18Å; L409-Y456 HydrophobicContact CD1-CE1 4.15Å | ||
| 410 | R | 89 | Confident | 84.2 | Confident | 135 Ų | 135 | 57.2 Ų | 57.2 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | trans | -100.7 | -27.8 | 176.8 | -62.9 | -56.3 | -165.9 | 174.9 | 2.9 | 113 | G408 Y431 P434 I455 | G408-R410 PolarHBondContact O-N 3.49Å; R410-Y431 PolarHBondContact O-OH 3.44Å; R410-P434 WeakPolarHBondContact O-CD 3.36Å; R410-I455 WeakPolarHBondContact CB-O 3.47Å; R410-I455 PolarHBondContact N-O 3.05Å | ||
| 411 | G | 91.3 | Very high | 82 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -167.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L409 L432 I455 | L409-G411 WeakPolarHBondContact CD1-O 3.31Å; G411-L432 CarbonylContact C-O 3.54Å; G411-L432 WeakPolarHBondContact CA-O 3.27Å; G411-I455 PolarHBondContact O-N 3.24Å |
| 412 | Y | 93.1 | Very high | 79.7 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142 | 176.5 | -57.8 | -83.4 | 0 | 0 | 0 | 110.3 | L385 W402 G404 L409 Y431 L432 S436 V452 S453 P454 | L385-Y412 HydrophobicContact CD2-CD1 4.06Å; L385-Y412 HydrophobicContact CD2-CE1 3.64Å; W402-Y412 AromaticContact CD1-CD1 3.99Å; W402-Y412 AromaticContact CD1-CE1 3.72Å; W402-Y412 AromaticContact CD1-CZ 3.92Å; W402-Y412 AromaticContact CE2-CG 4Å; W402-Y412 HydrophobicContact CZ2-CD2 4.01Å; W402-Y412 HydrophobicContact CZ2-CG 4.15Å; W402-Y412 AromaticContact NE1-CD1 3.47Å; W402-Y412 AromaticContact NE1-CD2 3.51Å; W402-Y412 AromaticContact NE1-CE1 3.42Å; W402-Y412 AromaticContact NE1-CE2 3.45Å; W402-Y412 AromaticContact NE1-CG 3.5Å; W402-Y412 AromaticContact NE1-CZ 3.38Å; G404-Y412 PolarHBondContact O-OH 3.07Å; L409-Y412 HydrophobicContact CD1-CE1 4.26Å; L409-Y412 HydrophobicContact CD2-CE1 4.05Å; L409-Y412 HydrophobicContact CD2-CE2 3.82Å; L409-Y412 VanDerWaalsContact CD2-CZ 3.43Å; L409-Y412 WeakPolarHBondContact CD2-OH 3.2Å; Y412-Y431 CarbonylContact O-C 3.54Å; Y412-Y431 WeakPolarHBondContact O-CA 3.41Å; Y412-Y431 WeakPolarHBondContact O-CD2 3.22Å; Y412-L432 PolarHBondContact N-O 3.05Å; Y412-L432 PolarHBondContact O-N 3.1Å; Y412-S436 VanDerWaalsContact CD2-O 3.25Å; Y412-S436 WeakPolarHBondContact CD2-O 3Å; Y412-S436 WeakPolarHBondContact CE2-O 3.47Å; Y412-V452 HydrophobicContact CD1-CG1 4.31Å; Y412-S453 CarbonylContact C-O 3.57Å; Y412-S453 WeakPolarHBondContact CA-O 3.34Å; Y412-P454 HydrophobicContact CD1-CB 4.31Å; Y412-P454 HydrophobicContact CE1-CB 4.3Å |
| 413 | W | 92.9 | Very high | 77.6 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 26% | 0.261 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 112.5 | 174.8 | -167 | -88.1 | 0 | 0 | 0 | 109.3 | S429 Y431 S453 I455 | W413-S429 WeakPolarHBondContact CZ2-OG 3.42Å; W413-Y431 AromaticContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CG 4.3Å; W413-Y431 HydrophobicContact CZ3-CD2 4.26Å; W413-Y431 HydrophobicContact CZ3-CG 4.39Å; W413-S453 PolarHBondContact N-O 3.44Å; W413-S453 PolarHBondContact O-N 2.88Å; W413-I455 HydrophobicContact CB-CD1 3.65Å; W413-I455 HydrophobicContact CB-CG1 3.82Å |
| 414 | L | 93.7 | Very high | 75.7 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.7 | 178.5 | -69 | 82.1 | 0 | 0 | 0 | 109.2 | V400 W402 S429 L430 L432 T439 C451 V452 | V400-L414 HydrophobicContact CG1-CD2 4.35Å; W402-L414 HydrophobicContact CH2-CD1 4.24Å; W402-L414 HydrophobicContact CH2-CD2 4.16Å; W402-L414 HydrophobicContact CZ3-CD2 3.96Å; L414-S429 CarbonylContact O-C 2.88Å; L414-S429 WeakPolarHBondContact O-CA 3.43Å; L414-S429 WeakPolarHBondContact O-CB 3.49Å; L414-L430 HydrophobicContact CB-CB 4.38Å; L414-L430 PolarHBondContact N-O 3.23Å; L414-L430 PolarHBondContact O-N 2.95Å; L414-L432 HydrophobicContact CD1-CB 4.47Å; L414-L432 HydrophobicContact CD1-CD1 3.66Å; L414-L432 HydrophobicContact CD1-CG 4.05Å; L414-L432 HydrophobicContact CD2-CD1 4.44Å; L414-T439 HydrophobicContact CD2-CG2 3.51Å; L414-C451 CarbonylContact C-O 3.51Å; L414-C451 VanDerWaalsContact CA-O 3.25Å; L414-C451 WeakPolarHBondContact CA-O 3.25Å; L414-V452 HydrophobicContact CD1-CG1 4.22Å; L414-V452 HydrophobicContact CD2-CG2 4.06Å; L414-V452 HydrophobicContact CG-CB 4.4Å; L414-V452 HydrophobicContact CG-CG1 4.07Å; L414-V452 HydrophobicContact CG-CG2 3.93Å |
| 415 | T | 91.8 | Very high | 74.6 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.5 | 170.1 | 62.9 | 0 | 0 | 0 | 0 | 111 | R427 S428 V450 C451 | T415-R427 PolarHBondContact OG1-NE 3.02Å; T415-R427 PolarHBondContact OG1-NH2 3.26Å; T415-S428 CarbonylContact C-O 3.59Å; T415-S428 WeakPolarHBondContact CA-O 3.32Å; T415-V450 CarbonylContact O-C 3.59Å; T415-V450 WeakPolarHBondContact O-CA 3.49Å; T415-C451 PolarHBondContact N-O 2.85Å; T415-C451 PolarHBondContact O-N 3.19Å |
| 416 | W | 90.8 | Very high | 74.3 | Confident | 39 Ų | 39 | 73.6 Ų | 73.6 | 15% | 0.148 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.4 | 172.7 | 66.6 | 100.8 | 0 | 0 | 0 | 113 | S428 L430 L441 L444 R449 V450 | W416-S428 PolarHBondContact N-O 3.22Å; W416-S428 PolarHBondContact O-N 3.49Å; W416-L430 HydrophobicContact CH2-CB 4.37Å; W416-L430 HydrophobicContact CZ3-CB 3.97Å; W416-L441 HydrophobicContact CD2-CD1 4.03Å; W416-L441 HydrophobicContact CE3-CD1 3.87Å; W416-L441 HydrophobicContact CE3-CD2 4.16Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD2 4.1Å; W416-L441 HydrophobicContact CZ3-CD1 4.45Å; W416-L441 HydrophobicContact CZ3-CD2 3.9Å; W416-L444 HydrophobicContact CB-CD2 4.29Å; W416-L444 HydrophobicContact CG-CD2 4.11Å; W416-R449 WeakPolarHBondContact CA-O 3.48Å; W416-V450 HydrophobicContact CB-CB 4.49Å; W416-V450 HydrophobicContact CB-CG2 3.97Å |
| 417 | E | 87.8 | Confident | 74.6 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 36% | 0.36 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 155.9 | -178.5 | 66 | -171.3 | -176.6 | 0 | 0 | 111.9 | R427 A448 R449 | E417-R427 HydrophobicContact CB-CG 4.48Å; E417-A448 CarbonylContact O-C 3.51Å; E417-A448 WeakPolarHBondContact O-CA 3.4Å; E417-R449 HydrophobicContact CG-CB 4.43Å; E417-R449 PolarHBondContact N-O 3Å; E417-R449 VanDerWaalsContact N-O 3.11Å; E417-R449 PolarHBondContact O-N 3.3Å |
| 418 | G | 80.8 | Confident | 75.5 | Confident | 26 Ų | 26 | 76.9 Ų | 76.9 | 27% | 0.268 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q420 Y447 | G418-Q420 VanDerWaalsContact C-N 3.33Å; G418-Q420 PolarHBondContact O-N 3.08Å; G418-Y447 WeakPolarHBondContact CA-O 3.27Å |
| 419 | Q | 68.5 | Low | 76.2 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.1 | -172.8 | -165.3 | 170.1 | -7.6 | 0 | 0 | 114.7 | Y447 | Q419-Y447 PolarHBondContact N-O 2.98Š|
| 420 | Q | 61.8 | Low | 76.5 | Confident | 176 Ų | 176 | 80 Ų | 80 | 82% | 0.822 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 11.4 | -171.1 | -95.2 | -173.2 | -3.4 | 0 | 0 | 116.4 | G418 | G418-Q420 VanDerWaalsContact C-N 3.33Å; G418-Q420 PolarHBondContact O-N 3.08Å |
| 421 | S | 49.3 | Very low | 76.7 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | trans | -101 | 109.9 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | A423 | S421-A423 PolarHBondContact O-N 3.42Š| ||
| 422 | S | 46.5 | Very low | 76.8 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 96% | 0.958 | 44% | 0.435 | S | S | * | . | trans | -68.4 | 7.2 | 160.2 | 37.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 423 | A | 47.8 | Very low | 76.8 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -93.7 | 117 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | S421 | S421-A423 PolarHBondContact O-N 3.42Š|
| 424 | A | 51.1 | Low | 76.6 | Confident | 89 Ų | 89 | 82 Ų | 82 | 74% | 0.736 | 46% | 0.459 | S | S | * | . | trans | -57.1 | 143.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 425 | N | 54.7 | Low | 76.4 | Confident | 154 Ų | 154 | 88.3 Ų | 88.3 | 82% | 0.824 | 49% | 0.492 | S | S | * | . | trans | 96.4 | 70.3 | 165.3 | -59.1 | -17.4 | 0 | 0 | 0 | 118.9 | ||||
| 426 | Q | 64.8 | Low | 76.4 | Confident | 174 Ų | 174 | 89 Ų | 89 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | -156.7 | 65.1 | 129.1 | -109.7 | 172.1 | 20.4 | 0 | 0 | 110.5 | S428 | Q426-S428 PolarHBondContact O-N 3.49Š| |||
| 427 | R | 78.1 | Confident | 76.5 | Confident | 156 Ų | 156 | 91.4 Ų | 91.4 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | trans | -80.2 | 104.7 | 166 | -174.5 | 173.4 | -178.3 | -179.9 | 2.3 | 107.6 | T415 E417 | T415-R427 PolarHBondContact OG1-NE 3.02Å; T415-R427 PolarHBondContact OG1-NH2 3.26Å; E417-R427 HydrophobicContact CB-CG 4.48Å | ||
| 428 | S | 88.2 | Confident | 76.8 | Confident | 43 Ų | 43 | 90.4 Ų | 90.4 | 30% | 0.301 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 149.6 | 177.5 | -68.2 | 0 | 0 | 0 | 0 | 109.8 | T415 W416 Q426 | T415-S428 CarbonylContact C-O 3.59Å; T415-S428 WeakPolarHBondContact CA-O 3.32Å; W416-S428 PolarHBondContact N-O 3.22Å; W416-S428 PolarHBondContact O-N 3.49Å; Q426-S428 PolarHBondContact O-N 3.49Å |
| 429 | S | 91.8 | Very high | 77.4 | Confident | 62 Ų | 62 | 90.4 Ų | 90.4 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149 | -179.4 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | W413 L414 | W413-S429 WeakPolarHBondContact CZ2-OG 3.42Å; L414-S429 CarbonylContact O-C 2.88Å; L414-S429 WeakPolarHBondContact O-CA 3.43Å; L414-S429 WeakPolarHBondContact O-CB 3.49Å |
| 430 | L | 93.1 | Very high | 78.6 | Confident | 59 Ų | 59 | 90 Ų | 90 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 131 | 179.1 | 177.6 | 64.8 | 0 | 0 | 0 | 109.8 | L414 W416 L432 L441 | L414-L430 HydrophobicContact CB-CB 4.38Å; L414-L430 PolarHBondContact N-O 3.23Å; L414-L430 PolarHBondContact O-N 2.95Å; W416-L430 HydrophobicContact CH2-CB 4.37Å; W416-L430 HydrophobicContact CZ3-CB 3.97Å; L430-L432 HydrophobicContact CD2-CD1 4.38Å; L430-L432 HydrophobicContact CD2-CD2 4Å; L430-L432 HydrophobicContact CD2-CG 4.2Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L430-L441 HydrophobicContact CD2-CD2 4.3Å |
| 431 | Y | 93.5 | Very high | 80 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 41% | 0.408 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.4 | 168.6 | -179 | -103.2 | 0 | 0 | 0 | 110.3 | R410 Y412 W413 I455 | R410-Y431 PolarHBondContact O-OH 3.44Å; Y412-Y431 CarbonylContact O-C 3.54Å; Y412-Y431 WeakPolarHBondContact O-CA 3.41Å; Y412-Y431 WeakPolarHBondContact O-CD2 3.22Å; W413-Y431 AromaticContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CD2 3.81Å; W413-Y431 HydrophobicContact CE3-CG 4.3Å; W413-Y431 HydrophobicContact CZ3-CD2 4.26Å; W413-Y431 HydrophobicContact CZ3-CG 4.39Å; Y431-I455 HydrophobicContact CE2-CB 4.4Å; Y431-I455 HydrophobicContact CE2-CG1 4.27Å |
| 432 | L | 93.8 | Very high | 81.9 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 12% | 0.12 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.1 | 174.5 | -66.2 | 176 | 0 | 0 | 0 | 111.2 | W402 G411 Y412 L414 L430 T439 | W402-L432 HydrophobicContact CH2-CD1 3.5Å; W402-L432 HydrophobicContact CZ2-CD1 3.98Å; G411-L432 CarbonylContact C-O 3.54Å; G411-L432 WeakPolarHBondContact CA-O 3.27Å; Y412-L432 PolarHBondContact N-O 3.05Å; Y412-L432 PolarHBondContact O-N 3.1Å; L414-L432 HydrophobicContact CD1-CB 4.47Å; L414-L432 HydrophobicContact CD1-CD1 3.66Å; L414-L432 HydrophobicContact CD1-CG 4.05Å; L414-L432 HydrophobicContact CD2-CD1 4.44Å; L430-L432 HydrophobicContact CD2-CD1 4.38Å; L430-L432 HydrophobicContact CD2-CD2 4Å; L430-L432 HydrophobicContact CD2-CG 4.2Å; L430-L432 HydrophobicContact CG-CD2 4.13Å; L430-L432 HydrophobicContact CG-CG 4.18Å; L432-T439 HydrophobicContact CD1-CG2 3.88Å |
| 433 | P | 92.3 | Very high | 83.6 | Confident | 59 Ų | 59 | 82.9 Ų | 82.9 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | trans | -64.3 | 164.3 | 176.5 | 29.6 | -35.7 | 0 | 0 | 0 | 111.8 | N435 S436 | P433-N435 WeakPolarHBondContact CB-OD1 3.42Å; P433-N435 WeakPolarHBondContact CG-OD1 3.31Å; P433-N435 PolarHBondContact O-N 3.42Å; P433-N435 VanDerWaalsContact O-N 3.14Å; P433-S436 WeakPolarHBondContact CD-OG 3.42Å; P433-S436 WeakPolarHBondContact O-CB 3.38Å; P433-S436 PolarHBondContact O-N 3.48Å; P433-S436 PolarHBondContact O-OG 3.24Å | ||
| 434 | P | 89.4 | Confident | 85.4 | Confident | 59 Ų | 59 | 80 Ų | 80 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.6 | -167.8 | 26.9 | -29.2 | 0 | 0 | 0 | 113.7 | L409 R410 | L409-P434 HydrophobicContact CB-CB 4.48Å; L409-P434 HydrophobicContact CD2-CB 3.83Å; L409-P434 HydrophobicContact CG-CB 4Å; R410-P434 WeakPolarHBondContact O-CD 3.36Å |
| 435 | N | 89.4 | Confident | 86.8 | Confident | 133 Ų | 133 | 78.1 Ų | 78.1 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.1 | 174.9 | 60.8 | -28 | 0 | 0 | 0 | 113.6 | P433 | P433-N435 WeakPolarHBondContact CB-OD1 3.42Å; P433-N435 WeakPolarHBondContact CG-OD1 3.31Å; P433-N435 PolarHBondContact O-N 3.42Å; P433-N435 VanDerWaalsContact O-N 3.14Å |
| 436 | S | 91.9 | Very high | 88 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | trans | -81.4 | 121.9 | 175.4 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | W402 Y412 P433 | W402-S436 WeakPolarHBondContact CZ2-O 3.38Å; W402-S436 PolarHBondContact NE1-O 2.88Å; W402-S436 VanDerWaalsContact NE1-O 3.16Å; Y412-S436 VanDerWaalsContact CD2-O 3.25Å; Y412-S436 WeakPolarHBondContact CD2-O 3Å; Y412-S436 WeakPolarHBondContact CE2-O 3.47Å; P433-S436 WeakPolarHBondContact CD-OG 3.42Å; P433-S436 WeakPolarHBondContact O-CB 3.38Å; P433-S436 PolarHBondContact O-N 3.48Å; P433-S436 PolarHBondContact O-OG 3.24Å | ||
| 437 | L | 92 | Very high | 88.9 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | trans | -113.5 | -0.9 | 172.1 | -66 | 176.6 | 0 | 0 | 0 | 112.7 | W402 | W402-L437 PolarHBondContact N-O 2.77Š| ||
| 438 | S | 93.1 | Very high | 89.2 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.7 | 175.7 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | V400 D401 | V400-S438 CarbonylContact O-C 3.57Å; V400-S438 WeakPolarHBondContact O-CA 3.48Å; V400-S438 WeakPolarHBondContact O-CB 3.45Å; D401-S438 WeakPolarHBondContact OD1-CB 3.38Å |
| 439 | T | 94.8 | Very high | 89.3 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 159.6 | 168.6 | -168.3 | 0 | 0 | 0 | 0 | 111 | V400 W402 L414 L432 L441 | V400-T439 HydrophobicContact CB-CG2 4.33Å; V400-T439 PolarHBondContact N-O 2.83Å; V400-T439 PolarHBondContact O-N 2.88Å; W402-T439 HydrophobicContact CH2-CG2 4.12Å; W402-T439 HydrophobicContact CZ3-CG2 4.07Å; L414-T439 HydrophobicContact CD2-CG2 3.51Å; L432-T439 HydrophobicContact CD1-CG2 3.88Å; T439-L441 HydrophobicContact CG2-CD2 4.11Å; T439-L441 HydrophobicContact CG2-CG 4.35Å |
| 440 | R | 93.3 | Very high | 89.3 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.5 | 171.7 | 179 | 174.7 | -74.7 | -109.6 | 0.3 | 109.6 | S397 T442 | S397-R440 PolarHBondContact OG-NH1 2.83Å; R440-T442 HydrophobicContact CG-CG2 4.13Å |
| 441 | L | 91.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.3 | 169.2 | -59.7 | -176.9 | 0 | 0 | 0 | 109.1 | S397 V398 V400 W416 L430 T439 L444 V450 | S397-L441 CarbonylContact C-O 3.55Å; S397-L441 VanDerWaalsContact CA-O 3.25Å; S397-L441 WeakPolarHBondContact CA-O 3.31Å; S397-L441 WeakPolarHBondContact CB-O 3.21Å; V398-L441 PolarHBondContact N-O 2.76Å; V398-L441 PolarHBondContact O-N 2.78Å; V400-L441 HydrophobicContact CG2-CD1 3.74Å; V400-L441 HydrophobicContact CG2-CG 3.83Å; W416-L441 HydrophobicContact CD2-CD1 4.03Å; W416-L441 HydrophobicContact CE3-CD1 3.87Å; W416-L441 HydrophobicContact CE3-CD2 4.16Å; W416-L441 HydrophobicContact CG-CD1 4.34Å; W416-L441 HydrophobicContact CH2-CD2 4.1Å; W416-L441 HydrophobicContact CZ3-CD1 4.45Å; W416-L441 HydrophobicContact CZ3-CD2 3.9Å; L430-L441 HydrophobicContact CD2-CD2 4.3Å; T439-L441 HydrophobicContact CG2-CD2 4.11Å; T439-L441 HydrophobicContact CG2-CG 4.35Å; L441-L444 VanDerWaalsContact C-CD1 3.5Å; L441-L444 HydrophobicContact CB-CD1 3.7Å; L441-L444 HydrophobicContact CB-CD2 4.28Å; L441-L444 HydrophobicContact CB-CG 4.33Å; L441-L444 HydrophobicContact CD1-CD2 4.4Å; L441-L444 WeakPolarHBondContact O-CD1 3.3Å; L441-V450 HydrophobicContact CD1-CG1 3.82Å; L441-V450 HydrophobicContact CD1-CG2 4.29Å |
| 442 | T | 88.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 161.2 | -179.8 | 60.1 | 0 | 0 | 0 | 0 | 110 | A396 R440 L444 | A396-T442 CarbonylContact O-C 3.5Å; R440-T442 HydrophobicContact CG-CG2 4.13Å; T442-L444 VanDerWaalsContact C-N 3.31Å; T442-L444 PolarHBondContact O-N 2.78Å |
| 443 | H | 83.8 | Confident | 89.2 | Confident | 169 Ų | 169 | 57.7 Ų | 57.7 | 78% | 0.782 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 61.1 | 37.9 | -179.7 | -48.1 | 84.9 | 0 | 0 | 0 | 112.9 | A396 | A396-H443 PolarHBondContact O-N 3.18Š|
| 444 | L | 83.8 | Confident | 89.2 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | trans | -80.6 | 147.1 | 175.9 | -64.4 | 107.1 | 0 | 0 | 0 | 111.4 | A396 V398 W416 L441 T442 A448 V450 F470 | A396-L444 PolarHBondContact O-N 3.34Å; V398-L444 HydrophobicContact CB-CD1 4.26Å; V398-L444 HydrophobicContact CG2-CD1 4.46Å; W416-L444 HydrophobicContact CB-CD2 4.29Å; W416-L444 HydrophobicContact CG-CD2 4.11Å; L441-L444 VanDerWaalsContact C-CD1 3.5Å; L441-L444 HydrophobicContact CB-CD1 3.7Å; L441-L444 HydrophobicContact CB-CD2 4.28Å; L441-L444 HydrophobicContact CB-CG 4.33Å; L441-L444 HydrophobicContact CD1-CD2 4.4Å; L441-L444 WeakPolarHBondContact O-CD1 3.3Å; T442-L444 VanDerWaalsContact C-N 3.31Å; T442-L444 PolarHBondContact O-N 2.78Å; L444-A448 HydrophobicContact CB-CB 4.03Å; L444-A448 HydrophobicContact CD2-CB 3.7Å; L444-V450 HydrophobicContact CD2-CG2 3.95Å; L444-F470 HydrophobicContact CB-CE2 3.78Å; L444-F470 HydrophobicContact CB-CZ 3.89Å; L444-F470 HydrophobicContact CD1-CZ 4.24Å | ||
| 445 | P | 81.3 | Confident | 89.1 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | trans | -67.2 | 161.3 | 171.4 | 28.5 | -34 | 0 | 0 | 0 | 111.8 | Y447 A448 F470 | P445-Y447 PolarHBondContact O-N 3.48Å; P445-A448 HydrophobicContact CG-CB 3.98Å; P445-F470 VanDerWaalsContact O-CD2 3.31Å; P445-F470 WeakPolarHBondContact O-CD2 3.47Å; P445-F470 VanDerWaalsContact O-CE2 3.26Å; P445-F470 WeakPolarHBondContact O-CE2 3.49Å | ||
| 446 | P | 79 | Confident | 89 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -54.8 | -28.1 | -176.3 | -28.4 | 35.5 | 0 | 0 | 0 | 115.7 | Q469 F470 | P446-Q469 WeakPolarHBondContact O-CA 3.37Å; P446-F470 WeakPolarHBondContact O-CD2 3.47Å; P446-F470 PolarHBondContact O-N 3.29Å |
| 447 | Y | 83.6 | Confident | 88.4 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 40% | 0.404 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 92.9 | 174.5 | -68.2 | -85.9 | 0 | 0 | 0 | 108.8 | G418 Q419 P445 Q469 | G418-Y447 WeakPolarHBondContact CA-O 3.27Å; Q419-Y447 PolarHBondContact N-O 2.98Å; P445-Y447 PolarHBondContact O-N 3.48Å; Y447-Q469 HydrophobicContact CD1-CB 4.47Å; Y447-Q469 HydrophobicContact CD1-CG 3.74Å; Y447-Q469 HydrophobicContact CE1-CB 4.28Å; Y447-Q469 HydrophobicContact CE1-CG 3.7Å |
| 448 | A | 85.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E417 L444 P445 T467 A468 | E417-A448 CarbonylContact O-C 3.51Å; E417-A448 WeakPolarHBondContact O-CA 3.4Å; L444-A448 HydrophobicContact CB-CB 4.03Å; L444-A448 HydrophobicContact CD2-CB 3.7Å; P445-A448 HydrophobicContact CG-CB 3.98Å; A448-T467 WeakPolarHBondContact O-CA 2.96Å; A448-A468 PolarHBondContact N-O 3.2Å; A448-A468 VanDerWaalsContact N-O 3.1Å; A448-A468 PolarHBondContact O-N 3.34Å |
| 449 | R | 90.5 | Very high | 86.9 | Confident | 120 Ų | 120 | 53.4 Ų | 53.4 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.5 | 168.8 | -176.9 | 178.7 | -178.3 | 164.1 | 3.4 | 108.4 | W416 E417 | W416-R449 WeakPolarHBondContact CA-O 3.48Å; E417-R449 HydrophobicContact CG-CB 4.43Å; E417-R449 PolarHBondContact N-O 3Å; E417-R449 VanDerWaalsContact N-O 3.11Å; E417-R449 PolarHBondContact O-N 3.3Å |
| 450 | V | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.6 | 177.7 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L390 V400 T415 W416 L441 L444 C465 C466 | L390-V450 HydrophobicContact CD1-CB 4.17Å; L390-V450 HydrophobicContact CD1-CG2 4.31Å; L390-V450 HydrophobicContact CD2-CB 4.13Å; L390-V450 HydrophobicContact CD2-CG1 4.23Å; L390-V450 HydrophobicContact CD2-CG2 4.43Å; V400-V450 HydrophobicContact CG1-CG1 4.29Å; V400-V450 HydrophobicContact CG2-CG1 4.16Å; T415-V450 CarbonylContact O-C 3.59Å; T415-V450 WeakPolarHBondContact O-CA 3.49Å; W416-V450 HydrophobicContact CB-CB 4.49Å; W416-V450 HydrophobicContact CB-CG2 3.97Å; L441-V450 HydrophobicContact CD1-CG1 3.82Å; L441-V450 HydrophobicContact CD1-CG2 4.29Å; L444-V450 HydrophobicContact CD2-CG2 3.95Å; V450-C465 CarbonylContact O-C 3.49Å; V450-C465 VanDerWaalsContact O-CA 3.23Å; V450-C465 WeakPolarHBondContact O-CA 3.44Å; V450-C466 PolarHBondContact N-O 3.29Å; V450-C466 PolarHBondContact O-N 2.96Å; V450-C466 VanDerWaalsContact O-O 3.11Å |
| 451 | C | 92.4 | Very high | 85.6 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.4 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | L414 T415 L464 C465 | L414-C451 CarbonylContact C-O 3.51Å; L414-C451 VanDerWaalsContact CA-O 3.25Å; L414-C451 WeakPolarHBondContact CA-O 3.25Å; T415-C451 PolarHBondContact N-O 2.85Å; T415-C451 PolarHBondContact O-N 3.19Å; C451-L464 CarbonylContact C-O 3.57Å; C451-L464 WeakPolarHBondContact CA-O 3.49Å; C451-C465 HydrophobicContact CB-CB 4.04Å; C451-C465 WeakPolarHBondContact CB-SG 3.11Å; C451-C465 WeakPolarHBondContact SG-CB 3.28Å; C451-C465 CovalentContact SG-SG 2.03Å; C451-C465 PolarHBondContact SG-SG 2.76Å |
| 452 | V | 93.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.9 | 174.6 | -171 | 0 | 0 | 0 | 0 | 108.3 | L385 L388 V400 W402 Y412 L414 G463 L464 | L385-V452 HydrophobicContact CD1-CB 3.69Å; L385-V452 HydrophobicContact CD1-CG1 3.72Å; L385-V452 WeakPolarHBondContact CD1-O 3.49Å; L388-V452 HydrophobicContact CD1-CB 4.33Å; L388-V452 HydrophobicContact CD1-CG2 3.53Å; L388-V452 HydrophobicContact CD2-CG2 4.19Å; V400-V452 HydrophobicContact CG1-CG2 3.92Å; W402-V452 HydrophobicContact CD2-CG1 3.95Å; W402-V452 HydrophobicContact CE3-CG1 4.27Å; W402-V452 HydrophobicContact CE3-CG2 4.23Å; W402-V452 HydrophobicContact CG-CG1 4.17Å; Y412-V452 HydrophobicContact CD1-CG1 4.31Å; L414-V452 HydrophobicContact CD1-CG1 4.22Å; L414-V452 HydrophobicContact CD2-CG2 4.06Å; L414-V452 HydrophobicContact CG-CB 4.4Å; L414-V452 HydrophobicContact CG-CG1 4.07Å; L414-V452 HydrophobicContact CG-CG2 3.93Å; V452-G463 CarbonylContact O-C 3.58Å; V452-G463 WeakPolarHBondContact O-CA 3.33Å; V452-L464 PolarHBondContact N-O 2.96Å; V452-L464 PolarHBondContact O-N 2.59Å |
| 453 | S | 91.8 | Very high | 84.8 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | Y412 W413 | Y412-S453 CarbonylContact C-O 3.57Å; Y412-S453 WeakPolarHBondContact CA-O 3.34Å; W413-S453 PolarHBondContact N-O 3.44Å; W413-S453 PolarHBondContact O-N 2.88Å |
| 454 | P | 91.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 145.1 | 172.5 | 29 | -28.7 | 0 | 0 | 0 | 110.4 | P383 L385 L409 Y412 Y456 G461 D462 | P383-P454 VanDerWaalsContact O-CG 3.31Å; P383-P454 WeakPolarHBondContact O-CG 3.4Å; L385-P454 HydrophobicContact CD2-CB 4.46Å; L385-P454 HydrophobicContact CD2-CG 4.44Å; L385-P454 HydrophobicContact CG-CG 4.45Å; L409-P454 HydrophobicContact CD1-CB 3.59Å; Y412-P454 HydrophobicContact CD1-CB 4.31Å; Y412-P454 HydrophobicContact CE1-CB 4.3Å; P454-Y456 HydrophobicContact CB-CE2 3.81Å; P454-Y456 HydrophobicContact CG-CE2 3.93Å; P454-G461 PolarHBondContact O-N 3.35Å; P454-D462 WeakPolarHBondContact CD-O 3.46Å |
| 455 | I | 88.8 | Confident | 85.5 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.3 | -178.3 | -57.3 | -64.5 | 0 | 0 | 0 | 109.5 | R410 G411 W413 Y431 R460 | R410-I455 WeakPolarHBondContact CB-O 3.47Å; R410-I455 PolarHBondContact N-O 3.05Å; G411-I455 PolarHBondContact O-N 3.24Å; W413-I455 HydrophobicContact CB-CD1 3.65Å; W413-I455 HydrophobicContact CB-CG1 3.82Å; Y431-I455 HydrophobicContact CE2-CB 4.4Å; Y431-I455 HydrophobicContact CE2-CG1 4.27Å; I455-R460 HydrophobicContact CD1-CB 3.95Å; I455-R460 HydrophobicContact CD1-CG 3.45Å; I455-R460 VanDerWaalsContact CD1-CG 3.45Å |
| 456 | Y | 86.8 | Confident | 85.9 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | trans | -112.2 | -179.8 | 177.5 | -61.6 | -81.1 | 0 | 0 | 0 | 110.8 | T382 P383 A406 L409 P454 T458 A459 | T382-Y456 HydrophobicContact CG2-CD2 3.55Å; T382-Y456 HydrophobicContact CG2-CE2 4.28Å; T382-Y456 HydrophobicContact CG2-CG 3.92Å; P383-Y456 WeakPolarHBondContact CD-OH 3.44Å; P383-Y456 PolarHBondContact O-OH 2.91Å; A406-Y456 HydrophobicContact CB-CE1 4.22Å; L409-Y456 HydrophobicContact CB-CE1 4.18Å; L409-Y456 HydrophobicContact CD1-CE1 4.15Å; P454-Y456 HydrophobicContact CB-CE2 3.81Å; P454-Y456 HydrophobicContact CG-CE2 3.93Å; Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 PolarHBondContact O-N 2.67Å; Y456-A459 PolarHBondContact N-O 2.7Å | ||
| 457 | R | 80.1 | Confident | 86.4 | Confident | 143 Ų | 143 | 53.7 Ų | 53.7 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -66.8 | -35.7 | -174.6 | -169.9 | -172.8 | -50.6 | 140.8 | 10.1 | 112.2 | E380 | E380-R457 WeakPolarHBondContact OE1-CB 3.28Å; E380-R457 IonicContact OE1-NH2 2.7Å; E380-R457 WeakPolarHBondContact OE2-CA 3.28Å; E380-R457 VanDerWaalsContact OE2-CB 3.29Å; E380-R457 WeakPolarHBondContact OE2-CB 3.45Å; E380-R457 PolarHBondContact OE2-N 2.99Å |
| 458 | T | 74.5 | Confident | 86.4 | Confident | 101 Ų | 101 | 49 Ų | 49 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -112 | -15.7 | -171 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | E380 Y456 | E380-T458 WeakPolarHBondContact CB-OG1 3.46Å; E380-T458 PolarHBondContact OE2-N 2.75Å; E380-T458 PolarHBondContact OE2-OG1 3.05Å; Y456-T458 VanDerWaalsContact C-N 3.32Å; Y456-T458 PolarHBondContact O-N 2.67Å |
| 459 | A | 77.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -160.1 | 170.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | T382 Y456 | T382-A459 HydrophobicContact CG2-CB 4.31Å; Y456-A459 PolarHBondContact N-O 2.7Å |
| 460 | R | 81.5 | Confident | 85.4 | Confident | 148 Ų | 148 | 49.4 Ų | 49.4 | 56% | 0.558 | 27% | 0.268 | S | S | * | . | B | Isolated β-bridge | trans | -86.9 | 130.5 | 164.1 | -53.2 | -163.8 | 170.3 | 164.5 | -4.8 | 108.1 | I455 | I455-R460 HydrophobicContact CD1-CB 3.95Å; I455-R460 HydrophobicContact CD1-CG 3.45Å; I455-R460 VanDerWaalsContact CD1-CG 3.45Å |
| 461 | G | 79.6 | Confident | 84.1 | Confident | 4 Ų | 4 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 168.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P454 G463 | P454-G461 PolarHBondContact O-N 3.35Å; G461-G463 PolarHBondContact O-N 3.29Å |
| 462 | D | 80.6 | Confident | 82.2 | Confident | 126 Ų | 126 | 61.7 Ų | 61.7 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 122.7 | 178.7 | -72 | -29 | 0 | 0 | 0 | 110.6 | A384 P454 | A384-D462 WeakPolarHBondContact CA-O 3.46Å; A384-D462 HydrophobicContact CB-CB 4.12Å; P454-D462 WeakPolarHBondContact CD-O 3.46Å |
| 463 | G | 83.6 | Confident | 80 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 161.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V452 G461 | V452-G463 CarbonylContact O-C 3.58Å; V452-G463 WeakPolarHBondContact O-CA 3.33Å; G461-G463 PolarHBondContact O-N 3.29Å |
| 464 | L | 91.1 | Very high | 77.5 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 149.8 | 171.7 | -67 | 175.2 | 0 | 0 | 0 | 110.3 | L385 L388 C451 V452 | L385-L464 HydrophobicContact CB-CD1 3.74Å; L385-L464 HydrophobicContact CB-CG 4.01Å; L388-L464 HydrophobicContact CB-CB 3.76Å; L388-L464 HydrophobicContact CB-CD1 3.98Å; L388-L464 HydrophobicContact CD2-CB 3.91Å; L388-L464 WeakPolarHBondContact CD2-O 3.38Å; L388-L464 HydrophobicContact CG-CB 4.49Å; C451-L464 CarbonylContact C-O 3.57Å; C451-L464 WeakPolarHBondContact CA-O 3.49Å; V452-L464 PolarHBondContact N-O 2.96Å; V452-L464 PolarHBondContact O-N 2.59Å |
| 465 | C | 90.8 | Very high | 75.1 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 37% | 0.372 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.1 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | V450 C451 | V450-C465 CarbonylContact O-C 3.49Å; V450-C465 VanDerWaalsContact O-CA 3.23Å; V450-C465 WeakPolarHBondContact O-CA 3.44Å; C451-C465 HydrophobicContact CB-CB 4.04Å; C451-C465 WeakPolarHBondContact CB-SG 3.11Å; C451-C465 WeakPolarHBondContact SG-CB 3.28Å; C451-C465 CovalentContact SG-SG 2.03Å; C451-C465 PolarHBondContact SG-SG 2.76Å |
| 466 | C | 89.9 | Confident | 72.8 | Confident | 42 Ų | 42 | 82.2 Ų | 82.2 | 28% | 0.284 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 158.7 | 173.8 | -67.1 | 0 | 0 | 0 | 0 | 110 | L388 L390 V450 | L388-C466 HydrophobicContact CD2-CB 4.17Å; L388-C466 HydrophobicContact CG-CB 4.46Å; L388-C466 PolarHBondContact O-SG 3Å; L390-C466 HydrophobicContact CD1-CB 3.38Å; L390-C466 HydrophobicContact CG-CB 3.77Å; V450-C466 PolarHBondContact N-O 3.29Å; V450-C466 PolarHBondContact O-N 2.96Å; V450-C466 VanDerWaalsContact O-O 3.11Å |
| 467 | T | 88.5 | Confident | 70.5 | Confident | 65 Ų | 65 | 92.1 Ų | 92.1 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.9 | 178.9 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | A448 | A448-T467 WeakPolarHBondContact O-CA 2.96Å |
| 468 | A | 83.3 | Confident | 68.4 | Low | 5 Ų | 5 | 88.6 Ų | 88.6 | 4% | 0.041 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L390 V398 A448 F470 | L390-A468 HydrophobicContact CD1-CB 4.13Å; V398-A468 HydrophobicContact CG2-CB 3.53Å; A448-A468 PolarHBondContact N-O 3.2Å; A448-A468 VanDerWaalsContact N-O 3.1Å; A448-A468 PolarHBondContact O-N 3.34Å; A468-F470 HydrophobicContact CB-CE2 4.38Å; A468-F470 HydrophobicContact CB-CZ 4.48Å |
| 469 | Q | 81.3 | Confident | 66.4 | Low | 107 Ų | 107 | 93.9 Ų | 93.9 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.8 | 175.2 | -62 | -172.5 | -10.4 | 0 | 0 | 109.8 | P446 Y447 | P446-Q469 WeakPolarHBondContact O-CA 3.37Å; Y447-Q469 HydrophobicContact CD1-CB 4.47Å; Y447-Q469 HydrophobicContact CD1-CG 3.74Å; Y447-Q469 HydrophobicContact CE1-CB 4.28Å; Y447-Q469 HydrophobicContact CE1-CG 3.7Å |
| 470 | F | 75.7 | Confident | 64.6 | Low | 20 Ų | 20 | 100.3 Ų | 100.3 | 9% | 0.088 | 56% | 0.558 | C | S | . | * | trans | -107.4 | 124.6 | 176 | -55.8 | -86.1 | 0 | 0 | 0 | 109.2 | T392 G394 S395 V398 L444 P445 P446 A468 | T392-F470 HydrophobicContact CG2-CD1 4.22Å; T392-F470 HydrophobicContact CG2-CE1 4.13Å; G394-F470 WeakPolarHBondContact O-CD1 3.25Å; S395-F470 WeakPolarHBondContact O-CD1 3.48Å; V398-F470 HydrophobicContact CG2-CE1 3.7Å; V398-F470 HydrophobicContact CG2-CE2 4.32Å; V398-F470 HydrophobicContact CG2-CZ 3.34Å; L444-F470 HydrophobicContact CB-CE2 3.78Å; L444-F470 HydrophobicContact CB-CZ 3.89Å; L444-F470 HydrophobicContact CD1-CZ 4.24Å; P445-F470 VanDerWaalsContact O-CD2 3.31Å; P445-F470 WeakPolarHBondContact O-CD2 3.47Å; P445-F470 VanDerWaalsContact O-CE2 3.26Å; P445-F470 WeakPolarHBondContact O-CE2 3.49Å; P446-F470 WeakPolarHBondContact O-CD2 3.47Å; P446-F470 PolarHBondContact O-N 3.29Å; A468-F470 HydrophobicContact CB-CE2 4.38Å; A468-F470 HydrophobicContact CB-CZ 4.48Å | ||
| 471 | H | 64.1 | Low | 62.5 | Low | 160 Ų | 160 | 102.3 Ų | 102.3 | 74% | 0.741 | 60% | 0.595 | S | S | * | * | trans | -81.1 | 127.1 | 172.9 | -70.5 | 76.3 | 0 | 0 | 0 | 108.6 | D473 | H471-D473 PolarHBondContact O-N 3.14Š| ||
| 472 | S | 52.8 | Low | 61.6 | Low | 111 Ų | 111 | 107.3 Ų | 107.3 | 78% | 0.776 | 62% | 0.622 | S | S | * | * | trans | -79.6 | 105.5 | 170 | 58.6 | 0 | 0 | 0 | 0 | 108.7 | A474 | S472-A474 VanDerWaalsContact C-N 3.34Å; S472-A474 PolarHBondContact O-N 3.42Å | ||
| 473 | D | 46.1 | Very low | 60.6 | Low | 161 Ų | 161 | 106.3 Ų | 106.3 | 86% | 0.861 | 62% | 0.62 | S | S | * | * | trans | -68.6 | 93.5 | 168.5 | -77 | -23.7 | 0 | 0 | 0 | 109.5 | H471 L475 | H471-D473 PolarHBondContact O-N 3.14Å; D473-L475 PolarHBondContact O-N 3.35Å | ||
| 474 | A | 39.8 | Very low | 59.4 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | trans | -82.3 | 100.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | S472 G476 | S472-A474 VanDerWaalsContact C-N 3.34Å; S472-A474 PolarHBondContact O-N 3.42Å; A474-G476 PolarHBondContact O-N 3.26Å | ||
| 475 | L | 40.3 | Very low | 57.5 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 83% | 0.832 | 66% | 0.655 | S | S | * | * | trans | 7.5 | 101 | 154.3 | -71.2 | 156.8 | 0 | 0 | 0 | 116.9 | D473 | D473-L475 PolarHBondContact O-N 3.35Š| ||
| 476 | G | 40.8 | Very low | 55.4 | Low | 76 Ų | 76 | 117 Ų | 117 | 78% | 0.784 | 67% | 0.672 | S | S | * | * | trans | -95 | 94.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A474 | A474-G476 PolarHBondContact O-N 3.26Š| ||
| 477 | Y | 39.7 | Very low | 53.1 | Low | 220 Ų | 220 | 122 Ų | 122 | 86% | 0.863 | 70% | 0.698 | S | S | * | * | trans | -122.5 | 115.4 | 157.6 | -93.8 | -80.3 | 0 | 0 | 0 | 108.1 | ||||
| 478 | G | 34.9 | Very low | 50.6 | Low | 70 Ų | 70 | 126.1 Ų | 126.1 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -77.5 | 159.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 479 | F | 33.3 | Very low | 48.1 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -126.7 | 121.4 | 146.4 | -100.2 | -88.8 | 0 | 0 | 0 | 107 | ||||
| 480 | Q | 38.7 | Very low | 45.3 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -117 | 135.7 | 162.3 | -120.1 | -175.7 | -11.2 | 0 | 0 | 107.2 | ||||
| 481 | S | 37.6 | Very low | 42.6 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 100% | 1.329 | 86% | 0.859 | S | S | * | * | trans | 67.6 | 0 | -179.1 | 42 | 0 | 0 | 0 | 0 | 117.9 |
Retrieved 481 of 481 residues in 418.6 ms
(Link to these results)