| 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 | 38.1 | Very low | 48.2 | Very low | 253 Ų | 253 | 155.3 Ų | 155.3 | 100% | 1.246 | 82% | 0.823 | S | S | * | * | 0 | 96.4 | 0 | -68.1 | 173.6 | 179.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 43.3 | Very low | 48.5 | Very low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -146.8 | 106.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | S | 51 | Low | 48.8 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -71.7 | 126.3 | -174.5 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | Q5 | S3-Q5 PolarHBondContact O-N 3.49Š| ||
| 4 | L | 49.6 | Very low | 49.2 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -67.8 | 96.4 | 167.2 | -80.4 | 155.7 | 0 | 0 | 0 | 109.2 | M6 | L4-M6 PolarHBondContact O-N 3.48Š| ||
| 5 | Q | 52.2 | Low | 49.4 | Very low | 166 Ų | 166 | 148 Ų | 148 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -82.7 | 108.3 | 173.2 | -76 | -176.7 | -45.1 | 0 | 0 | 110.6 | S3 | S3-Q5 PolarHBondContact O-N 3.49Š| ||
| 6 | M | 47.1 | Very low | 49.7 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | 54.3 | 80.1 | 125.6 | -61.1 | -77.5 | -87.1 | 0 | 0 | 117.4 | L4 Y8 | L4-M6 PolarHBondContact O-N 3.48Å; M6-Y8 VanDerWaalsContact C-N 3.35Å; M6-Y8 PolarHBondContact O-N 3.45Å | |||
| 7 | F | 46.6 | Very low | 50 | Low | 208 Ų | 208 | 145.5 Ų | 145.5 | 91% | 0.912 | 77% | 0.774 | S | S | * | * | trans | -82.3 | 84.2 | 147.8 | -74.4 | -79.3 | 0 | 0 | 0 | 108.8 | ||||
| 8 | Y | 47.3 | Very low | 50.4 | Low | 203 Ų | 203 | 143.1 Ų | 143.1 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -128.8 | 86.4 | 168 | -120.6 | -92.2 | 0 | 0 | 0 | 107.8 | M6 | M6-Y8 VanDerWaalsContact C-N 3.35Å; M6-Y8 PolarHBondContact O-N 3.45Å | ||
| 9 | Q | 48.8 | Very low | 50.7 | Low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -103.1 | 104.3 | 173.7 | -153.6 | 172.1 | -36.8 | 0 | 0 | 107.4 | G11 | Q9-G11 PolarHBondContact O-N 3.46Š| ||
| 10 | P | 49.3 | Very low | 51.1 | Low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 15.6 | -175.1 | 11.4 | 1.1 | 0 | 0 | 0 | 113.7 | ||
| 11 | G | 57.3 | Low | 51.4 | Low | 48 Ų | 48 | 139.2 Ų | 139.2 | 50% | 0.495 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | -15.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q9 | Q9-G11 PolarHBondContact O-N 3.46Š|
| 12 | A | 51.8 | Low | 52.3 | Low | 80 Ų | 80 | 134.8 Ų | 134.8 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -88.1 | -14.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 13 | L | 52.4 | Low | 52.8 | Low | 148 Ų | 148 | 136.9 Ų | 136.9 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -83 | -18.5 | -173.6 | -83 | 159.4 | 0 | 0 | 0 | 114.4 | ||
| 14 | M | 53.7 | Low | 52.7 | Low | 133 Ų | 133 | 139.5 Ų | 139.5 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -84.8 | -15.1 | -177.1 | -74.1 | -66.7 | -100 | 0 | 0 | 114.2 | ||
| 15 | H | 52.1 | Low | 52.6 | Low | 151 Ų | 151 | 135 Ų | 135 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.1 | -16.8 | -177.5 | -69.9 | 21.7 | 0 | 0 | 0 | 113.3 | ||
| 16 | L | 54.4 | Low | 52.3 | Low | 135 Ų | 135 | 132.9 Ų | 132.9 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77 | -26.8 | 179.5 | -126 | 108.3 | 0 | 0 | 0 | 113.1 | ||
| 17 | L | 54.7 | Low | 52.4 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 62% | 0.618 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.7 | -29.1 | -177.4 | -76.9 | 166.1 | 0 | 0 | 0 | 113.3 | L19 | L17-L19 VanDerWaalsContact C-N 3.34Å |
| 18 | I | 58.3 | Low | 52.6 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 52% | 0.523 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -73.2 | -28.9 | -179.4 | -65.7 | 170.4 | 0 | 0 | 0 | 111.1 | F22 | I18-F22 HydrophobicContact CG2-CD2 4.47Å; I18-F22 HydrophobicContact CG2-CE2 3.81Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å |
| 19 | L | 54.6 | Low | 52.7 | Low | 133 Ų | 133 | 125.6 Ų | 125.6 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.4 | -28.2 | -178.3 | -143.7 | 82.2 | 0 | 0 | 0 | 113.1 | L17 | L17-L19 VanDerWaalsContact C-N 3.34Å |
| 20 | C | 58.8 | Low | 53.2 | Low | 90 Ų | 90 | 120.3 Ų | 120.3 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.1 | -28.2 | 178.4 | -64 | 0 | 0 | 0 | 0 | 112.9 | F22 L23 | C20-F22 VanDerWaalsContact C-N 3.3Å; C20-F22 PolarHBondContact O-N 2.95Å; C20-L23 PolarHBondContact O-N 3.22Å |
| 21 | L | 57.4 | Low | 54 | Low | 126 Ų | 126 | 119 Ų | 119 | 66% | 0.66 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.2 | -22.6 | 179.8 | -82 | 157.9 | 0 | 0 | 0 | 113.2 | L23 | L21-L23 VanDerWaalsContact C-N 3.35Å |
| 22 | F | 57.3 | Low | 54.9 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -7.7 | 177.4 | -70.3 | -73.6 | 0 | 0 | 0 | 113.9 | I18 C20 | I18-F22 HydrophobicContact CG2-CD2 4.47Å; I18-F22 HydrophobicContact CG2-CE2 3.81Å; I18-F22 WeakPolarHBondContact O-CD2 3.48Å; C20-F22 VanDerWaalsContact C-N 3.3Å; C20-F22 PolarHBondContact O-N 2.95Å |
| 23 | L | 55 | Low | 56.5 | Low | 146 Ų | 146 | 125.4 Ų | 125.4 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -92.1 | -11.2 | 177.6 | -114.9 | 82 | 0 | 0 | 0 | 114.1 | C20 L21 T25 | C20-L23 PolarHBondContact O-N 3.22Å; L21-L23 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.42Å |
| 24 | E | 47.5 | Very low | 58.4 | Low | 155 Ų | 155 | 122.7 Ų | 122.7 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | trans | -79.5 | 58.7 | 170 | -69 | -176.7 | 163.7 | 0 | 0 | 110.1 | P26 | E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.45Å | ||
| 25 | T | 49.1 | Very low | 60.3 | Low | 87 Ų | 87 | 116.4 Ų | 116.4 | 53% | 0.534 | 60% | 0.6 | S | S | . | * | trans | -76.7 | 113.8 | 152.4 | 43.6 | 0 | 0 | 0 | 0 | 105.6 | L23 Y27 | L23-T25 PolarHBondContact O-N 3.42Å; T25-Y27 PolarHBondContact O-N 3.49Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.41Å | ||
| 26 | P | 44.7 | Very low | 62.4 | Low | 121 Ų | 121 | 109.3 Ų | 109.3 | 79% | 0.786 | 57% | 0.567 | S | S | * | * | trans | -69.9 | 91.3 | 174.3 | 29.6 | -31.3 | 0 | 0 | 0 | 106.2 | E24 G28 | E24-P26 VanDerWaalsContact O-CD 3.26Å; E24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-G28 PolarHBondContact O-N 3.47Å | ||
| 27 | Y | 49.1 | Very low | 64.4 | Low | 174 Ų | 174 | 105.4 Ų | 105.4 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | trans | -63.9 | 83.7 | 149.8 | -70.4 | -82.6 | 0 | 0 | 0 | 104.5 | T25 Q29 | T25-Y27 PolarHBondContact O-N 3.49Å; T25-Y27 WeakPolarHBondContact OG1-CE2 3.41Å; Y27-Q29 PolarHBondContact O-N 3.34Å | ||
| 28 | G | 50.4 | Low | 66.5 | Low | 54 Ų | 54 | 101.4 Ų | 101.4 | 56% | 0.557 | 53% | 0.53 | S | S | * | . | trans | -49.7 | 126.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | P26 E30 | P26-G28 PolarHBondContact O-N 3.47Å; G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 VanDerWaalsContact O-CA 3.27Å; G28-E30 WeakPolarHBondContact O-CA 3.44Å; G28-E30 PolarHBondContact O-N 2.85Å | ||
| 29 | Q | 50.2 | Low | 68.4 | Low | 187 Ų | 187 | 100.6 Ų | 100.6 | 87% | 0.874 | 53% | 0.527 | S | S | * | . | trans | -18 | 90.3 | -179.7 | -166.2 | 103.1 | -24.9 | 0 | 0 | 111.5 | Y27 N31 | Y27-Q29 PolarHBondContact O-N 3.34Å; Q29-N31 PolarHBondContact O-N 3.04Å; Q29-N31 VanDerWaalsContact O-N 3.11Å | ||
| 30 | E | 58.6 | Low | 70.4 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 30% | 0.304 | 50% | 0.497 | S | S | . | . | trans | -70.5 | 117.2 | -164.1 | -136.6 | 174.4 | -157.8 | 0 | 0 | 106.1 | G28 W32 Q63 | G28-E30 VanDerWaalsContact C-N 3.33Å; G28-E30 VanDerWaalsContact O-CA 3.27Å; G28-E30 WeakPolarHBondContact O-CA 3.44Å; G28-E30 PolarHBondContact O-N 2.85Å; E30-W32 VanDerWaalsContact CB-CD1 3.47Å; E30-W32 VanDerWaalsContact CB-NE1 3.29Å; E30-W32 VanDerWaalsContact CG-NE1 3.26Å; E30-W32 PolarHBondContact O-N 2.97Å; E30-W32 VanDerWaalsContact OE2-CZ2 3.24Å; E30-W32 WeakPolarHBondContact OE2-CZ2 3.43Å; E30-W32 PolarHBondContact OE2-NE1 3.33Å; E30-Q63 PolarHBondContact OE1-NE2 2.84Å | ||
| 31 | N | 65.7 | Low | 72.3 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | trans | -80 | 53.2 | -163.8 | -130.9 | -3 | 0 | 0 | 0 | 111.7 | Q29 N33 N34 | Q29-N31 PolarHBondContact O-N 3.04Å; Q29-N31 VanDerWaalsContact O-N 3.11Å; N31-N33 PolarHBondContact O-N 2.76Å; N31-N33 VanDerWaalsContact O-N 3.11Å; N31-N34 CarbonylContact O-C 3.3Å; N31-N34 VanDerWaalsContact O-C 3.3Å; N31-N34 PolarHBondContact O-N 2.82Å | ||
| 32 | W | 78 | Confident | 74.2 | Confident | 122 Ų | 122 | 90.1 Ų | 90.1 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.9 | -169.1 | -74.6 | 27.7 | 0 | 0 | 0 | 113.7 | E30 N34 F128 | E30-W32 VanDerWaalsContact CB-CD1 3.47Å; E30-W32 VanDerWaalsContact CB-NE1 3.29Å; E30-W32 VanDerWaalsContact CG-NE1 3.26Å; E30-W32 PolarHBondContact O-N 2.97Å; E30-W32 VanDerWaalsContact OE2-CZ2 3.24Å; E30-W32 WeakPolarHBondContact OE2-CZ2 3.43Å; E30-W32 PolarHBondContact OE2-NE1 3.33Å; W32-N34 VanDerWaalsContact C-N 3.31Å; W32-F128 HydrophobicContact CD2-CE2 4.13Å; W32-F128 HydrophobicContact CG-CE2 4.14Å; W32-F128 HydrophobicContact CG-CZ 4.37Å; W32-F128 AromaticContact NE1-CE2 3.94Å |
| 33 | N | 85.3 | Confident | 76.1 | Confident | 141 Ų | 141 | 85.1 Ų | 85.1 | 75% | 0.754 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.4 | 176.3 | -69.4 | -13.3 | 0 | 0 | 0 | 112.3 | N31 | N31-N33 PolarHBondContact O-N 2.76Å; N31-N33 VanDerWaalsContact O-N 3.11Å |
| 34 | N | 91.5 | Very high | 78.1 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | trans | -136.6 | 68.3 | -178.2 | -61.8 | -46.4 | 0 | 0 | 0 | 109.6 | N31 W32 L36 N60 | N31-N34 CarbonylContact O-C 3.3Å; N31-N34 VanDerWaalsContact O-C 3.3Å; N31-N34 PolarHBondContact O-N 2.82Å; W32-N34 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.43Å; N34-L36 VanDerWaalsContact O-N 3.12Å; N34-N60 WeakPolarHBondContact O-CB 3.44Å; N34-N60 PolarHBondContact O-ND2 2.85Å | ||
| 35 | P | 93.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 43% | 0.428 | C | S | . | . | trans | -63.9 | -19.2 | -173.9 | 28 | -36.8 | 0 | 0 | 0 | 113.1 | N60 V61 M65 F128 Y133 | P35-N60 PolarHBondContact O-N 2.89Å; P35-V61 HydrophobicContact CB-CG1 4.19Å; P35-M65 HydrophobicContact CB-CE 4.07Å; P35-F128 HydrophobicContact CB-CD1 4.4Å; P35-F128 HydrophobicContact CB-CE1 3.61Å; P35-F128 HydrophobicContact CB-CZ 3.98Å; P35-F128 HydrophobicContact CG-CE1 4.11Å; P35-Y133 VanDerWaalsContact CD-CE2 3.44Å; P35-Y133 HydrophobicContact CG-CD1 3.61Å; P35-Y133 HydrophobicContact CG-CD2 3.64Å; P35-Y133 HydrophobicContact CG-CE1 3.8Å; P35-Y133 HydrophobicContact CG-CE2 3.83Å; P35-Y133 HydrophobicContact CG-CG 3.53Å | ||
| 36 | L | 95 | Very high | 82.6 | Confident | 2 Ų | 2 | 85.3 Ų | 85.3 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.4 | 178.4 | -64 | 174.8 | 0 | 0 | 0 | 112.2 | N34 L38 V57 K58 N60 M65 V67 L90 A112 V114 Y133 E135 | N34-L36 PolarHBondContact O-N 3.43Å; N34-L36 VanDerWaalsContact O-N 3.12Å; L36-L38 HydrophobicContact CB-CD1 4.37Å; L36-V57 HydrophobicContact CD2-CG1 3.93Å; L36-K58 CarbonylContact C-O 3.54Å; L36-K58 VanDerWaalsContact CA-O 3.26Å; L36-K58 WeakPolarHBondContact CA-O 3.39Å; L36-N60 VanDerWaalsContact C-ND2 3.31Å; L36-N60 PolarHBondContact O-ND2 2.97Å; L36-M65 HydrophobicContact CD1-SD 4.42Å; L36-M65 HydrophobicContact CD2-CE 4.39Å; L36-M65 HydrophobicContact CD2-SD 3.41Å; L36-M65 WeakPolarHBondContact CD2-SD 3.42Å; L36-M65 HydrophobicContact CG-SD 3.9Å; L36-V67 HydrophobicContact CD1-CG1 4.22Å; L36-V67 HydrophobicContact CD2-CG1 4.19Å; L36-L90 HydrophobicContact CD2-CD2 3.6Å; L36-A112 HydrophobicContact CD1-CB 4.15Å; L36-V114 HydrophobicContact CD1-CG2 3.7Å; L36-V114 HydrophobicContact CG-CG2 4.27Å; L36-Y133 HydrophobicContact CB-CE1 4.05Å; L36-Y133 HydrophobicContact CD1-CD1 4.09Å; L36-Y133 HydrophobicContact CD1-CE1 4.35Å; L36-Y133 HydrophobicContact CG-CD1 4.39Å; L36-Y133 HydrophobicContact CG-CE1 4.39Å; L36-E135 HydrophobicContact CB-CB 4.49Å |
| 37 | S | 96.7 | Very high | 84.8 | Confident | 54 Ų | 54 | 80.8 Ų | 80.8 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.5 | 162.8 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | K58 N60 | S37-K58 PolarHBondContact N-O 2.92Å; S37-K58 PolarHBondContact O-N 3.32Å; S37-N60 PolarHBondContact OG-ND2 3.07Å |
| 38 | L | 98.4 | Very high | 87 | Confident | 33 Ų | 33 | 80 Ų | 80 | 17% | 0.173 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.7 | -177.9 | -83.3 | 56.1 | 0 | 0 | 0 | 109.9 | L36 L55 Q56 V57 A112 E135 A137 | L36-L38 HydrophobicContact CB-CD1 4.37Å; L38-L55 HydrophobicContact CB-CD1 4.07Å; L38-L55 HydrophobicContact CD2-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD2 4.45Å; L38-L55 HydrophobicContact CG-CD1 4.06Å; L38-Q56 WeakPolarHBondContact CA-O 3.05Å; L38-V57 HydrophobicContact CD1-CG1 4.05Å; L38-V57 HydrophobicContact CD1-CG2 4.4Å; L38-V57 HydrophobicContact CG-CG2 4.32Å; L38-A112 HydrophobicContact CD1-CB 3.91Å; L38-A112 HydrophobicContact CD2-CB 4.14Å; L38-A112 HydrophobicContact CG-CB 4.38Å; L38-E135 HydrophobicContact CB-CG 4.5Å; L38-E135 HydrophobicContact CD1-CB 3.65Å; L38-E135 HydrophobicContact CD1-CG 3.64Å; L38-E135 HydrophobicContact CD2-CB 4.17Å; L38-E135 HydrophobicContact CD2-CG 4.22Å; L38-E135 WeakPolarHBondContact CD2-O 3.02Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; L38-A137 HydrophobicContact CB-CB 3.78Å; L38-A137 HydrophobicContact CD2-CB 4.23Å |
| 39 | D | 98.1 | Very high | 89.2 | Confident | 86 Ų | 86 | 79 Ų | 79 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.2 | 168.8 | -179.8 | 36.3 | 0 | 0 | 0 | 108.7 | Q56 | D39-Q56 HydrophobicContact CB-CB 4.39Å; D39-Q56 PolarHBondContact N-O 2.87Å; D39-Q56 PolarHBondContact O-N 2.64Å |
| 40 | M | 98.5 | Very high | 91.4 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.1 | -176.8 | -178.7 | 177.4 | -70 | 0 | 0 | 110.1 | V42 V53 T54 L55 L108 A137 Q139 | M40-V42 HydrophobicContact CG-CG2 4.41Å; M40-V53 HydrophobicContact CE-CG1 4.48Å; M40-V53 HydrophobicContact CG-CG1 4.23Å; M40-V53 HydrophobicContact SD-CG1 4.28Å; M40-T54 WeakPolarHBondContact CA-O 3.42Å; M40-L55 HydrophobicContact CB-CD1 4.01Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; M40-L108 HydrophobicContact CE-CD2 4.49Å; M40-L108 HydrophobicContact CE-CG 4.48Å; M40-L108 HydrophobicContact SD-CD2 4.02Å; M40-L108 HydrophobicContact SD-CG 4.18Å; M40-A137 HydrophobicContact CB-CB 4.03Å; M40-Q139 HydrophobicContact CG-CB 4.07Å; M40-Q139 HydrophobicContact SD-CB 3.63Å |
| 41 | I | 98 | Very high | 93.3 | Very high | 85 Ų | 85 | 70.6 Ų | 70.6 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.8 | 174.6 | -59.7 | 170.2 | 0 | 0 | 0 | 108.1 | V53 T54 | I41-V53 WeakPolarHBondContact O-CA 3.31Å; I41-T54 PolarHBondContact N-O 3Å; I41-T54 PolarHBondContact O-N 2.88Å |
| 42 | V | 97.5 | Very high | 94.8 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.8 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | M40 F51 V53 Q139 I141 | M40-V42 HydrophobicContact CG-CG2 4.41Å; V42-F51 HydrophobicContact CG1-CB 3.7Å; V42-F51 HydrophobicContact CG1-CD1 3.81Å; V42-F51 HydrophobicContact CG1-CG 3.95Å; V42-V53 HydrophobicContact CG2-CG1 4.45Å; V42-V53 HydrophobicContact CG2-CG2 4.32Å; V42-Q139 HydrophobicContact CB-CG 4.11Å; V42-Q139 HydrophobicContact CG2-CB 3.94Å; V42-Q139 HydrophobicContact CG2-CG 3.59Å; V42-I141 HydrophobicContact CG1-CD1 3.95Å; V42-I141 HydrophobicContact CG1-CG1 4.1Å; V42-I141 HydrophobicContact CG2-CD1 4.33Å; V42-I141 HydrophobicContact CG2-CG1 4.44Å |
| 43 | S | 97.2 | Very high | 95.8 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.6 | -177.4 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | F51 T52 | S43-F51 CarbonylContact O-C 3.54Å; S43-F51 WeakPolarHBondContact O-CA 3.31Å; S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.86Å |
| 44 | P | 96.3 | Very high | 96.4 | Very high | 106 Ų | 106 | 57 Ų | 57 | 69% | 0.688 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 144.2 | 178.6 | 28.5 | -34.5 | 0 | 0 | 0 | 111.4 | F51 | P44-F51 HydrophobicContact CB-CD1 4.3Å; P44-F51 HydrophobicContact CB-CE1 4.32Å |
| 45 | M | 96.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | trans | -99.9 | -179 | 172.5 | -63.3 | 173.6 | 75 | 0 | 0 | 110.7 | G47 E50 T52 L80 D99 | M45-G47 VanDerWaalsContact C-N 3.35Å; M45-E50 HydrophobicContact CB-CB 3.86Å; M45-E50 WeakPolarHBondContact CB-O 3.27Å; M45-E50 HydrophobicContact CG-CB 4.45Å; M45-E50 PolarHBondContact N-O 2.8Å; M45-E50 HydrophobicContact SD-CB 4.1Å; M45-T52 WeakPolarHBondContact CG-OG1 3.3Å; M45-T52 PolarHBondContact SD-OG1 3.17Å; M45-L80 HydrophobicContact CE-CD1 4.48Å; M45-L80 HydrophobicContact SD-CD1 4.27Å; M45-D99 HydrophobicContact CE-CB 4.27Å; M45-D99 HydrophobicContact SD-CB 4.11Å | ||
| 46 | K | 94 | Very high | 97 | Very high | 223 Ų | 223 | 55.7 Ų | 55.7 | 97% | 0.97 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -68.7 | -31.2 | 177.6 | -68.8 | -176.3 | 179.7 | 179 | 0 | 113.2 | ||
| 47 | G | 92.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -77.4 | 156.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M45 N49 E50 | M45-G47 VanDerWaalsContact C-N 3.35Å; G47-N49 PolarHBondContact O-N 3.13Å; G47-E50 WeakPolarHBondContact CA-OE2 3.18Å; G47-E50 PolarHBondContact O-N 3.25Å |
| 48 | K | 94.1 | Very high | 97.2 | Very high | 159 Ų | 159 | 58.2 Ų | 58.2 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 125.8 | 179.9 | -177 | 178.3 | 178.9 | -180 | 0 | 110.2 | E50 Q101 | K48-E50 PolarHBondContact O-N 2.86Å; K48-E50 VanDerWaalsContact O-N 3.13Å; K48-Q101 PolarHBondContact O-NE2 2.97Å |
| 49 | N | 96.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 24.9 | -178.6 | -56.1 | -13.4 | 0 | 0 | 0 | 113.4 | G47 F51 Q101 V102 V143 | G47-N49 PolarHBondContact O-N 3.13Å; N49-F51 VanDerWaalsContact C-CE2 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.4Å; N49-F51 VanDerWaalsContact O-CD2 3.31Å; N49-F51 WeakPolarHBondContact O-CD2 3.43Å; N49-F51 VanDerWaalsContact O-CE2 3.3Å; N49-F51 WeakPolarHBondContact O-CE2 3.25Å; N49-Q101 CarbonylContact O-C 3.51Å; N49-Q101 VanDerWaalsContact O-CA 3.31Å; N49-Q101 WeakPolarHBondContact O-CA 3.4Å; N49-V102 WeakPolarHBondContact CB-O 3.44Å; N49-V102 PolarHBondContact ND2-O 3.27Å; N49-V102 PolarHBondContact O-N 2.92Å; N49-V143 HydrophobicContact CB-CB 4.49Å; N49-V143 HydrophobicContact CB-CG1 3.87Å |
| 50 | E | 97.6 | Very high | 97 | Very high | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.2 | 173.6 | -65.4 | -178.1 | 177.8 | 0 | 0 | 109.4 | M45 G47 K48 L80 I100 Q101 | M45-E50 HydrophobicContact CB-CB 3.86Å; M45-E50 WeakPolarHBondContact CB-O 3.27Å; M45-E50 HydrophobicContact CG-CB 4.45Å; M45-E50 PolarHBondContact N-O 2.8Å; M45-E50 HydrophobicContact SD-CB 4.1Å; G47-E50 WeakPolarHBondContact CA-OE2 3.18Å; G47-E50 PolarHBondContact O-N 3.25Å; K48-E50 PolarHBondContact O-N 2.86Å; K48-E50 VanDerWaalsContact O-N 3.13Å; E50-L80 HydrophobicContact CB-CD1 4.14Å; E50-L80 HydrophobicContact CG-CD1 3.87Å; E50-I100 CarbonylContact C-O 3.52Å; E50-I100 VanDerWaalsContact CA-O 3.25Å; E50-I100 WeakPolarHBondContact CA-O 3.42Å; E50-Q101 HydrophobicContact CG-CB 4.21Å; E50-Q101 HydrophobicContact CG-CG 4.29Å |
| 51 | F | 97.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 142.9 | -176.8 | -56.5 | -94.1 | 0 | 0 | 0 | 110.4 | V42 S43 P44 N49 I100 V102 I141 V143 | V42-F51 HydrophobicContact CG1-CB 3.7Å; V42-F51 HydrophobicContact CG1-CD1 3.81Å; V42-F51 HydrophobicContact CG1-CG 3.95Å; S43-F51 CarbonylContact O-C 3.54Å; S43-F51 WeakPolarHBondContact O-CA 3.31Å; P44-F51 HydrophobicContact CB-CD1 4.3Å; P44-F51 HydrophobicContact CB-CE1 4.32Å; N49-F51 VanDerWaalsContact C-CE2 3.48Å; N49-F51 HydrophobicContact CB-CE2 4.4Å; N49-F51 VanDerWaalsContact O-CD2 3.31Å; N49-F51 WeakPolarHBondContact O-CD2 3.43Å; N49-F51 VanDerWaalsContact O-CE2 3.3Å; N49-F51 WeakPolarHBondContact O-CE2 3.25Å; F51-I100 HydrophobicContact CB-CG1 4.05Å; F51-I100 PolarHBondContact N-O 3Å; F51-I100 WeakPolarHBondContact O-CG1 3.28Å; F51-I100 PolarHBondContact O-N 2.77Å; F51-V102 HydrophobicContact CD2-CB 4.44Å; F51-V102 HydrophobicContact CD2-CG2 3.93Å; F51-V102 HydrophobicContact CE2-CB 4.16Å; F51-V102 HydrophobicContact CE2-CG2 4.1Å; F51-I141 HydrophobicContact CD1-CG2 4.3Å; F51-I141 HydrophobicContact CD2-CG2 3.97Å; F51-I141 HydrophobicContact CE1-CG2 3.93Å; F51-I141 HydrophobicContact CE2-CG2 3.57Å; F51-I141 HydrophobicContact CG-CG2 4.32Å; F51-I141 HydrophobicContact CZ-CG2 3.55Å; F51-V143 HydrophobicContact CE2-CG1 4.02Å; F51-V143 HydrophobicContact CZ-CG1 4.22Å |
| 52 | T | 97.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.6 | 164.9 | -62.6 | 0 | 0 | 0 | 0 | 108.2 | S43 M45 D99 | S43-T52 PolarHBondContact N-O 3Å; S43-T52 PolarHBondContact O-N 2.86Å; M45-T52 WeakPolarHBondContact CG-OG1 3.3Å; M45-T52 PolarHBondContact SD-OG1 3.17Å; T52-D99 WeakPolarHBondContact CB-OD1 3.45Å; T52-D99 WeakPolarHBondContact CG2-OD1 3.44Å; T52-D99 PolarHBondContact OG1-OD1 2.03Å |
| 53 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.8 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | M40 I41 V42 F97 W98 I100 L108 | M40-V53 HydrophobicContact CE-CG1 4.48Å; M40-V53 HydrophobicContact CG-CG1 4.23Å; M40-V53 HydrophobicContact SD-CG1 4.28Å; I41-V53 WeakPolarHBondContact O-CA 3.31Å; V42-V53 HydrophobicContact CG2-CG1 4.45Å; V42-V53 HydrophobicContact CG2-CG2 4.32Å; V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.25Å; V53-W98 HydrophobicContact CB-CB 4.43Å; V53-W98 HydrophobicContact CB-CE3 4.42Å; V53-W98 WeakPolarHBondContact CB-O 3.33Å; V53-W98 HydrophobicContact CG1-CE3 4.2Å; V53-W98 PolarHBondContact N-O 2.84Å; V53-W98 PolarHBondContact O-N 2.65Å; V53-W98 VanDerWaalsContact O-N 3.07Å; V53-I100 HydrophobicContact CG2-CD1 3.6Å; V53-I100 HydrophobicContact CG2-CG1 3.91Å; V53-I100 HydrophobicContact CG2-CG2 4.43Å; V53-L108 HydrophobicContact CB-CD2 4.06Å; V53-L108 HydrophobicContact CG1-CD2 3.53Å; V53-L108 HydrophobicContact CG2-CD2 3.36Å |
| 54 | T | 98.4 | Very high | 96 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 119.6 | 168.1 | -58.6 | 0 | 0 | 0 | 0 | 108.8 | M40 I41 K95 Y96 F97 | M40-T54 WeakPolarHBondContact CA-O 3.42Å; I41-T54 PolarHBondContact N-O 3Å; I41-T54 PolarHBondContact O-N 2.88Å; T54-K95 HydrophobicContact CG2-CB 4.27Å; T54-K95 HydrophobicContact CG2-CD 4.09Å; T54-K95 HydrophobicContact CG2-CG 4.34Å; T54-Y96 WeakPolarHBondContact CA-O 3.4Å; T54-F97 HydrophobicContact CG2-CD1 3.9Å; T54-F97 HydrophobicContact CG2-CE1 3.41Å; T54-F97 VanDerWaalsContact CG2-CE1 3.41Å; T54-F97 HydrophobicContact CG2-CZ 4.13Å; T54-F97 VanDerWaalsContact OG1-CD1 3.28Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.44Å; T54-F97 VanDerWaalsContact OG1-CE1 3.31Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.41Å |
| 55 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.3 | 170.2 | -178 | 63.2 | 0 | 0 | 0 | 108.8 | L38 M40 V57 V69 K95 Y96 W98 A137 | L38-L55 HydrophobicContact CB-CD1 4.07Å; L38-L55 HydrophobicContact CD2-CD1 4.2Å; L38-L55 HydrophobicContact CD2-CD2 4.45Å; L38-L55 HydrophobicContact CG-CD1 4.06Å; M40-L55 HydrophobicContact CB-CD1 4.01Å; M40-L55 HydrophobicContact CE-CD1 4.02Å; L55-V57 HydrophobicContact CD2-CG2 4.34Å; L55-V57 HydrophobicContact CG-CG2 4.16Å; L55-V69 HydrophobicContact CD2-CG1 3.6Å; L55-K95 WeakPolarHBondContact O-CA 3.49Å; L55-Y96 PolarHBondContact N-O 3.4Å; L55-Y96 WeakPolarHBondContact O-CD2 3.31Å; L55-Y96 PolarHBondContact O-N 3.08Å; L55-W98 HydrophobicContact CB-CZ3 3.87Å; L55-W98 HydrophobicContact CD2-CH2 4.41Å; L55-W98 HydrophobicContact CD2-CZ3 4.46Å; L55-A137 HydrophobicContact CD1-CB 4.2Å |
| 56 | Q | 98.7 | Very high | 95.9 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 29% | 0.29 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.3 | 169.1 | 179.7 | 168.4 | -20.7 | 0 | 0 | 109 | L38 D39 N94 K95 | L38-Q56 WeakPolarHBondContact CA-O 3.05Å; D39-Q56 HydrophobicContact CB-CB 4.39Å; D39-Q56 PolarHBondContact N-O 2.87Å; D39-Q56 PolarHBondContact O-N 2.64Å; Q56-N94 WeakPolarHBondContact CA-O 3.46Å; Q56-K95 HydrophobicContact CB-CG 4.23Å; Q56-K95 HydrophobicContact CG-CG 4.37Å |
| 57 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.2 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | L36 L38 L55 V69 L90 A93 N94 Y96 A112 | L36-V57 HydrophobicContact CD2-CG1 3.93Å; L38-V57 HydrophobicContact CD1-CG1 4.05Å; L38-V57 HydrophobicContact CD1-CG2 4.4Å; L38-V57 HydrophobicContact CG-CG2 4.32Å; L55-V57 HydrophobicContact CD2-CG2 4.34Å; L55-V57 HydrophobicContact CG-CG2 4.16Å; V57-V69 HydrophobicContact CG2-CG1 4.14Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V57-L90 HydrophobicContact CB-CD2 4.33Å; V57-L90 HydrophobicContact CG1-CD2 3.64Å; V57-A93 VanDerWaalsContact O-CA 3.29Å; V57-A93 WeakPolarHBondContact O-CA 3.29Å; V57-N94 PolarHBondContact N-O 2.86Å; V57-N94 PolarHBondContact O-N 2.86Å; V57-Y96 HydrophobicContact CB-CE2 3.86Å; V57-Y96 HydrophobicContact CG2-CD2 3.82Å; V57-Y96 HydrophobicContact CG2-CE2 3.55Å; V57-A112 HydrophobicContact CG1-CB 3.94Å; V57-A112 HydrophobicContact CG2-CB 4.02Å |
| 58 | K | 98.1 | Very high | 96.4 | Very high | 109 Ų | 109 | 37.3 Ų | 37.3 | 47% | 0.474 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.5 | 178 | -174.7 | 179.9 | 176.9 | -172.9 | 0 | 109.7 | L36 S37 A93 | L36-K58 CarbonylContact C-O 3.54Å; L36-K58 VanDerWaalsContact CA-O 3.26Å; L36-K58 WeakPolarHBondContact CA-O 3.39Å; S37-K58 PolarHBondContact N-O 2.92Å; S37-K58 PolarHBondContact O-N 3.32Å; K58-A93 HydrophobicContact CB-CB 4.38Å; K58-A93 HydrophobicContact CG-CB 4.37Å |
| 59 | N | 96.1 | Very high | 96.6 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.7 | 167.5 | -178 | -5 | 0 | 0 | 0 | 109.1 | V61 Q63 M65 L90 S92 | N59-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N59-V61 PolarHBondContact OD1-N 2.74Å; N59-V61 PolarHBondContact OD1-O 2.87Å; N59-V61 VanDerWaalsContact OD1-O 3.13Å; N59-Q63 PolarHBondContact ND2-O 3.45Å; N59-M65 WeakPolarHBondContact OD1-CE 3.38Å; N59-L90 HydrophobicContact CB-CD2 3.92Å; N59-L90 HydrophobicContact CB-CG 3.96Å; N59-L90 PolarHBondContact ND2-O 2.84Å; N59-S92 WeakPolarHBondContact CB-O 3.24Å; N59-S92 PolarHBondContact N-O 3.41Å |
| 60 | N | 95.6 | Very high | 96.7 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 22% | 0.219 | 17% | 0.165 | C | C | . | . | trans | -104.1 | 4.5 | -180 | -62.8 | -34.2 | 0 | 0 | 0 | 113.5 | N34 P35 L36 S37 | N34-N60 WeakPolarHBondContact O-CB 3.44Å; N34-N60 PolarHBondContact O-ND2 2.85Å; P35-N60 PolarHBondContact O-N 2.89Å; L36-N60 VanDerWaalsContact C-ND2 3.31Å; L36-N60 PolarHBondContact O-ND2 2.97Å; S37-N60 PolarHBondContact OG-ND2 3.07Å | ||
| 61 | V | 92.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -111.4 | 157.2 | 175 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | P35 N59 Q63 M65 F128 | P35-V61 HydrophobicContact CB-CG1 4.19Å; N59-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N59-V61 PolarHBondContact OD1-N 2.74Å; N59-V61 PolarHBondContact OD1-O 2.87Å; N59-V61 VanDerWaalsContact OD1-O 3.13Å; V61-Q63 PolarHBondContact O-N 2.79Å; V61-M65 HydrophobicContact CG2-CE 3.26Å; V61-F128 HydrophobicContact CB-CD2 4.42Å; V61-F128 HydrophobicContact CB-CE2 4.49Å; V61-F128 HydrophobicContact CG1-CD2 4.45Å; V61-F128 HydrophobicContact CG1-CE2 4.05Å; V61-F128 HydrophobicContact CG1-CZ 4.31Å; V61-F128 HydrophobicContact CG2-CB 4.37Å; V61-F128 HydrophobicContact CG2-CD2 3.88Å; V61-F128 HydrophobicContact CG2-CE2 4.29Å; V61-F128 HydrophobicContact CG2-CG 4.02Å |
| 62 | G | 90.4 | Very high | 96.7 | Very high | 80 Ų | 80 | 29 Ų | 29 | 83% | 0.825 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -76.6 | 5.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 63 | Q | 92.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -118 | 140.5 | -176.8 | -64 | 174.1 | 7.9 | 0 | 0 | 109.3 | E30 N59 V61 K126 F128 | E30-Q63 PolarHBondContact OE1-NE2 2.84Å; N59-Q63 PolarHBondContact ND2-O 3.45Å; V61-Q63 PolarHBondContact O-N 2.79Å; Q63-K126 WeakPolarHBondContact CB-O 3.39Å; Q63-K126 HydrophobicContact CG-CB 4.39Å; Q63-F128 HydrophobicContact CB-CB 4.16Å |
| 64 | C | 94.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -65.8 | 153.5 | 175.8 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | L90 C91 E125 K126 I127 F128 | C64-L90 WeakPolarHBondContact CA-O 3.46Å; C64-C91 HydrophobicContact CB-CB 4.11Å; C64-C91 WeakPolarHBondContact CB-SG 3.48Å; C64-C91 WeakPolarHBondContact SG-CB 3.5Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 2.86Å; C64-E125 HydrophobicContact CB-CB 4.36Å; C64-E125 VanDerWaalsContact SG-CD 3.54Å; C64-E125 PolarHBondContact SG-OE2 3.11Å; C64-E125 VanDerWaalsContact SG-OE2 3.38Å; C64-K126 PolarHBondContact N-O 2.77Å; C64-I127 HydrophobicContact CB-CD1 4.18Å; C64-I127 CarbonylContact O-C 3.5Å; C64-I127 VanDerWaalsContact O-CA 3.28Å; C64-I127 WeakPolarHBondContact O-CA 3.28Å; C64-F128 PolarHBondContact O-N 2.85Å |
| 65 | M | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150 | 175.7 | 65.8 | -177.4 | 68.9 | 0 | 0 | 111 | P35 L36 N59 V61 V67 L90 V114 F128 | P35-M65 HydrophobicContact CB-CE 4.07Å; L36-M65 HydrophobicContact CD1-SD 4.42Å; L36-M65 HydrophobicContact CD2-CE 4.39Å; L36-M65 HydrophobicContact CD2-SD 3.41Å; L36-M65 WeakPolarHBondContact CD2-SD 3.42Å; L36-M65 HydrophobicContact CG-SD 3.9Å; N59-M65 WeakPolarHBondContact OD1-CE 3.38Å; V61-M65 HydrophobicContact CG2-CE 3.26Å; M65-V67 HydrophobicContact CG-CG1 3.92Å; M65-V67 HydrophobicContact SD-CG1 4.22Å; M65-L90 HydrophobicContact CG-CB 4.36Å; M65-L90 PolarHBondContact N-O 2.82Å; M65-L90 PolarHBondContact O-N 2.89Å; M65-V114 HydrophobicContact CB-CG1 4.14Å; M65-V114 HydrophobicContact SD-CG1 4.38Å; M65-V114 HydrophobicContact SD-CG2 3.62Å; M65-F128 HydrophobicContact CB-CB 3.91Å; M65-F128 HydrophobicContact CE-CB 4.18Å; M65-F128 HydrophobicContact CE-CD1 3.8Å; M65-F128 HydrophobicContact CE-CE1 4.41Å; M65-F128 HydrophobicContact CE-CG 4.1Å |
| 66 | V | 96.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.9 | 174.7 | -173.4 | 0 | 0 | 0 | 0 | 109 | T87 V114 V115 A117 I120 | V66-T87 HydrophobicContact CG1-CG2 3.92Å; V66-V114 WeakPolarHBondContact O-CA 3Å; V66-V115 HydrophobicContact CB-CG2 4.3Å; V66-V115 HydrophobicContact CG1-CG2 3.83Å; V66-V115 PolarHBondContact O-N 3.04Å; V66-A117 HydrophobicContact CG1-CB 4Å; V66-I120 HydrophobicContact CG1-CB 3.83Å; V66-I120 HydrophobicContact CG1-CG1 4.03Å; V66-I120 HydrophobicContact CG1-CG2 3.73Å; V66-I120 HydrophobicContact CG2-CB 3.97Å; V66-I120 HydrophobicContact CG2-CG2 4.32Å |
| 67 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.6 | 179.1 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | L36 M65 V69 T87 S88 L90 Y96 E113 | L36-V67 HydrophobicContact CD1-CG1 4.22Å; L36-V67 HydrophobicContact CD2-CG1 4.19Å; M65-V67 HydrophobicContact CG-CG1 3.92Å; M65-V67 HydrophobicContact SD-CG1 4.22Å; V67-V69 HydrophobicContact CB-CG2 4.2Å; V67-V69 HydrophobicContact CG2-CG2 3.86Å; V67-T87 VanDerWaalsContact O-CA 3.31Å; V67-T87 WeakPolarHBondContact O-CA 3.31Å; V67-S88 PolarHBondContact N-O 2.8Å; V67-S88 PolarHBondContact O-N 2.9Å; V67-L90 HydrophobicContact CG1-CB 4.08Å; V67-L90 HydrophobicContact CG1-CD2 3.9Å; V67-L90 HydrophobicContact CG2-CB 3.84Å; V67-L90 HydrophobicContact CG2-CD2 4.27Å; V67-Y96 WeakPolarHBondContact CG2-OH 3.28Å; V67-E113 CarbonylContact C-O 3.59Å; V67-E113 VanDerWaalsContact CA-O 3.28Å; V67-E113 WeakPolarHBondContact CA-O 3.48Å |
| 68 | K | 98 | Very high | 96.3 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 37% | 0.37 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.9 | 165.4 | -175.6 | 178.9 | 179.4 | -179.3 | 0 | 108.3 | I85 Y86 A112 E113 V115 | K68-I85 HydrophobicContact CD-CG2 4.26Å; K68-I85 VanDerWaalsContact CE-CG2 3.46Å; K68-I85 HydrophobicContact CG-CG2 3.77Å; K68-Y86 CarbonylContact C-O 3.54Å; K68-Y86 VanDerWaalsContact CA-O 3.31Å; K68-Y86 WeakPolarHBondContact CA-O 3.42Å; K68-A112 WeakPolarHBondContact O-CA 3.21Å; K68-E113 PolarHBondContact N-O 3.12Å; K68-E113 PolarHBondContact O-N 2.75Å; K68-V115 HydrophobicContact CB-CG1 3.82Å; K68-V115 HydrophobicContact CB-CG2 4.21Å |
| 69 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.3 | -174.8 | -169 | 0 | 0 | 0 | 0 | 110 | L55 V57 V67 Y86 Y96 W98 K111 A112 | L55-V69 HydrophobicContact CD2-CG1 3.6Å; V57-V69 HydrophobicContact CG2-CG1 4.14Å; V57-V69 HydrophobicContact CG2-CG2 4.1Å; V67-V69 HydrophobicContact CB-CG2 4.2Å; V67-V69 HydrophobicContact CG2-CG2 3.86Å; V69-Y86 PolarHBondContact N-O 2.96Å; V69-Y86 PolarHBondContact O-N 2.78Å; V69-Y96 HydrophobicContact CB-CD1 4.12Å; V69-Y96 HydrophobicContact CB-CD2 4.18Å; V69-Y96 HydrophobicContact CB-CE1 4.16Å; V69-Y96 HydrophobicContact CB-CE2 4.26Å; V69-Y96 HydrophobicContact CB-CG 4.11Å; V69-Y96 HydrophobicContact CG1-CD1 4.39Å; V69-Y96 HydrophobicContact CG1-CD2 3.78Å; V69-Y96 HydrophobicContact CG1-CE2 4.22Å; V69-Y96 HydrophobicContact CG1-CG 3.88Å; V69-Y96 HydrophobicContact CG2-CD1 4.37Å; V69-Y96 HydrophobicContact CG2-CD2 4.1Å; V69-Y96 HydrophobicContact CG2-CE1 3.94Å; V69-Y96 HydrophobicContact CG2-CE2 3.68Å; V69-Y96 HydrophobicContact CG2-CG 4.42Å; V69-W98 HydrophobicContact CG1-CH2 4.07Å; V69-K111 WeakPolarHBondContact CA-O 2.98Å; V69-A112 HydrophobicContact CG2-CB 4.23Å |
| 70 | S | 98.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 171.7 | -174.1 | 62 | 0 | 0 | 0 | 0 | 110.9 | G110 K111 | S70-G110 WeakPolarHBondContact O-CA 3.5Å; S70-K111 PolarHBondContact N-O 2.82Å; S70-K111 PolarHBondContact O-N 2.99Å |
| 71 | T | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.5 | 167 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | Y79 H83 W98 L108 Q109 | T71-Y79 VanDerWaalsContact CB-OH 3.29Å; T71-Y79 WeakPolarHBondContact CB-OH 3.48Å; T71-Y79 PolarHBondContact OG1-OH 2.81Å; T71-H83 PolarHBondContact O-CE1 2.92Å; T71-H83 PolarHBondContact O-NE2 2.9Å; T71-H83 PolarHBondContact OG1-CD2 2.84Å; T71-H83 PolarHBondContact OG1-NE2 3.01Å; T71-H83 VanDerWaalsContact OG1-NE2 3.08Å; T71-W98 HydrophobicContact CG2-CD2 3.95Å; T71-W98 HydrophobicContact CG2-CE3 3.92Å; T71-W98 HydrophobicContact CG2-CH2 4.13Å; T71-W98 HydrophobicContact CG2-CZ2 4.13Å; T71-W98 HydrophobicContact CG2-CZ3 4.02Å; T71-L108 HydrophobicContact CG2-CD1 4.01Å; T71-L108 HydrophobicContact CG2-CG 4.5Å; T71-Q109 CarbonylContact C-O 3.56Å; T71-Q109 VanDerWaalsContact CA-O 3.24Å; T71-Q109 WeakPolarHBondContact CA-O 3.24Å |
| 72 | V | 97.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 39% | 0.394 | 29% | 0.29 | S | S | . | . | trans | -69.8 | 138.5 | 176 | -178.5 | 0 | 0 | 0 | 0 | 109 | N74 Q109 | V72-N74 PolarHBondContact O-N 2.9Å; V72-Q109 HydrophobicContact CB-CB 4Å; V72-Q109 HydrophobicContact CG2-CB 3.75Å; V72-Q109 PolarHBondContact N-O 2.87Å | ||
| 73 | M | 95.8 | Very high | 96.3 | Very high | 115 Ų | 115 | 47.5 Ų | 47.5 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | trans | -64.7 | 134.9 | -179.6 | -167.6 | 83.6 | -62.5 | 0 | 0 | 111.8 | Y79 H83 | M73-Y79 HydrophobicContact CE-CD2 4.19Å; M73-Y79 HydrophobicContact CE-CE2 3.43Å; M73-Y79 VanDerWaalsContact CE-CE2 3.43Å; M73-H83 VanDerWaalsContact CE-CE1 3.41Å; M73-H83 WeakPolarHBondContact CE-CE1 3.5Å; M73-H83 WeakPolarHBondContact CE-ND1 3.34Å | ||
| 74 | N | 96.3 | Very high | 96.5 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | trans | -138.9 | 122.1 | 178.8 | -176.2 | -34.6 | 0 | 0 | 0 | 109 | V72 S76 I77 T106 A107 | V72-N74 PolarHBondContact O-N 2.9Å; N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CB 3.49Å; N74-S76 PolarHBondContact OD1-N 2.79Å; N74-I77 HydrophobicContact CB-CB 4.24Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.92Å; N74-I77 PolarHBondContact O-N 2.82Å; N74-T106 PolarHBondContact ND2-OG1 2.8Å; N74-T106 PolarHBondContact OD1-OG1 2.83Å; N74-A107 PolarHBondContact ND2-O 2.91Å | ||
| 75 | P | 96.6 | Very high | 96.6 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 86% | 0.857 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | -176.3 | 26.8 | -34.8 | 0 | 0 | 0 | 114.1 | I77 | P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 2.87Å |
| 76 | S | 97.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.9 | 174.4 | -55 | 0 | 0 | 0 | 0 | 113.3 | N74 V102 S103 | N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CB 3.49Å; N74-S76 PolarHBondContact OD1-N 2.79Å; S76-V102 WeakPolarHBondContact O-CA 3.33Å; S76-S103 WeakPolarHBondContact CA-OG 3.47Å; S76-S103 PolarHBondContact O-N 2.85Å; S76-S103 PolarHBondContact O-OG 3.3Å |
| 77 | I | 98 | Very high | 96.7 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.2 | -175.3 | -57.3 | -175 | 0 | 0 | 0 | 109.7 | N74 P75 Y79 I100 V102 T106 L108 | N74-I77 HydrophobicContact CB-CB 4.24Å; N74-I77 HydrophobicContact CB-CD1 3.85Å; N74-I77 HydrophobicContact CB-CG1 3.92Å; N74-I77 PolarHBondContact O-N 2.82Å; P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 2.87Å; I77-Y79 HydrophobicContact CG2-CE2 4.06Å; I77-I100 HydrophobicContact CD1-CD1 4.49Å; I77-I100 HydrophobicContact CG2-CB 3.79Å; I77-I100 HydrophobicContact CG2-CD1 3.93Å; I77-I100 HydrophobicContact CG2-CG1 4.43Å; I77-I100 HydrophobicContact CG2-CG2 3.78Å; I77-V102 HydrophobicContact CG1-CG2 4.36Å; I77-T106 HydrophobicContact CD1-CG2 4.04Å; I77-T106 HydrophobicContact CG1-CG2 3.92Å; I77-L108 HydrophobicContact CD1-CB 3.97Å; I77-L108 HydrophobicContact CD1-CD1 3.69Å; I77-L108 HydrophobicContact CD1-CG 4.39Å |
| 78 | K | 97.5 | Very high | 96.7 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 56% | 0.557 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.9 | 169.4 | 179.6 | -175 | 174 | -169.3 | 0 | 109.2 | I100 Q101 | K78-I100 CarbonylContact O-C 3.5Å; K78-I100 VanDerWaalsContact O-CA 3.27Å; K78-I100 WeakPolarHBondContact O-CA 3.23Å; K78-Q101 PolarHBondContact N-O 2.92Å; K78-Q101 PolarHBondContact O-N 2.93Å |
| 79 | Y | 97.7 | Very high | 96.7 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.4 | 172.6 | -65.7 | -101.9 | 0 | 0 | 0 | 108.7 | T71 M73 I77 S81 H83 W98 I100 | T71-Y79 VanDerWaalsContact CB-OH 3.29Å; T71-Y79 WeakPolarHBondContact CB-OH 3.48Å; T71-Y79 PolarHBondContact OG1-OH 2.81Å; M73-Y79 HydrophobicContact CE-CD2 4.19Å; M73-Y79 HydrophobicContact CE-CE2 3.43Å; M73-Y79 VanDerWaalsContact CE-CE2 3.43Å; I77-Y79 HydrophobicContact CG2-CE2 4.06Å; Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 CarbonylContact C-O 3.52Å; Y79-S81 WeakPolarHBondContact CB-O 3.34Å; Y79-H83 HydrophobicContact CD1-CB 4.16Å; Y79-H83 HydrophobicContact CD2-CB 3.88Å; Y79-H83 HydrophobicContact CE1-CB 4.41Å; Y79-H83 AromaticContact CE1-CD2 3.43Å; Y79-H83 VanDerWaalsContact CE1-CD2 3.43Å; Y79-H83 WeakPolarHBondContact CE1-CD2 3.31Å; Y79-H83 HydrophobicContact CE2-CB 4.21Å; Y79-H83 AromaticContact CE2-CD2 3.72Å; Y79-H83 AromaticContact CE2-CG 3.87Å; Y79-H83 HydrophobicContact CG-CB 3.88Å; Y79-H83 AromaticContact CZ-CD2 3.26Å; Y79-H83 AromaticContact CZ-CG 3.9Å; Y79-H83 AromaticContact CZ-NE2 3.69Å; Y79-H83 PolarHBondContact OH-CD2 2.95Å; Y79-H83 PolarHBondContact OH-NE2 3.44Å; Y79-W98 HydrophobicContact CD1-CB 4.11Å; Y79-W98 AromaticContact CD1-CD1 3.79Å; Y79-W98 HydrophobicContact CD1-CG 4.22Å; Y79-W98 HydrophobicContact CE1-CB 4.05Å; Y79-W98 AromaticContact CE1-CD1 3.63Å; Y79-W98 AromaticContact CE1-CG 3.92Å; Y79-W98 HydrophobicContact CE1-CG 3.92Å; Y79-I100 HydrophobicContact CD1-CG2 3.8Å; Y79-I100 HydrophobicContact CE1-CG2 3.91Å; Y79-I100 HydrophobicContact CG-CG2 4.28Å |
| 80 | L | 97 | Very high | 96.6 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -72.8 | -27.6 | 179.2 | -66.1 | -178.9 | 0 | 0 | 0 | 111.5 | M45 E50 D99 Q101 | M45-L80 HydrophobicContact CE-CD1 4.48Å; M45-L80 HydrophobicContact SD-CD1 4.27Å; E50-L80 HydrophobicContact CB-CD1 4.14Å; E50-L80 HydrophobicContact CG-CD1 3.87Å; L80-D99 HydrophobicContact CB-CB 4.15Å; L80-D99 HydrophobicContact CD1-CB 4.22Å; L80-D99 PolarHBondContact N-O 2.95Å; L80-Q101 HydrophobicContact CD2-CB 3.83Å; L80-Q101 HydrophobicContact CG-CB 4.39Å |
| 81 | S | 91.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -112.6 | -149 | 168.1 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | Y79 | Y79-S81 VanDerWaalsContact C-N 3.27Å; Y79-S81 CarbonylContact C-O 3.52Å; Y79-S81 WeakPolarHBondContact CB-O 3.34Å |
| 82 | A | 92.2 | Very high | 96.4 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | trans | -71.1 | 145.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A84 | A82-A84 PolarHBondContact O-N 2.91Š| ||
| 83 | H | 95.8 | Very high | 96.4 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -72.9 | 71.2 | 161.4 | -178.2 | -155.9 | 0 | 0 | 0 | 109.2 | T71 M73 Y79 | T71-H83 PolarHBondContact O-CE1 2.92Å; T71-H83 PolarHBondContact O-NE2 2.9Å; T71-H83 PolarHBondContact OG1-CD2 2.84Å; T71-H83 PolarHBondContact OG1-NE2 3.01Å; T71-H83 VanDerWaalsContact OG1-NE2 3.08Å; M73-H83 VanDerWaalsContact CE-CE1 3.41Å; M73-H83 WeakPolarHBondContact CE-CE1 3.5Å; M73-H83 WeakPolarHBondContact CE-ND1 3.34Å; Y79-H83 HydrophobicContact CD1-CB 4.16Å; Y79-H83 HydrophobicContact CD2-CB 3.88Å; Y79-H83 HydrophobicContact CE1-CB 4.41Å; Y79-H83 AromaticContact CE1-CD2 3.43Å; Y79-H83 VanDerWaalsContact CE1-CD2 3.43Å; Y79-H83 WeakPolarHBondContact CE1-CD2 3.31Å; Y79-H83 HydrophobicContact CE2-CB 4.21Å; Y79-H83 AromaticContact CE2-CD2 3.72Å; Y79-H83 AromaticContact CE2-CG 3.87Å; Y79-H83 HydrophobicContact CG-CB 3.88Å; Y79-H83 AromaticContact CZ-CD2 3.26Å; Y79-H83 AromaticContact CZ-CG 3.9Å; Y79-H83 AromaticContact CZ-NE2 3.69Å; Y79-H83 PolarHBondContact OH-CD2 2.95Å; Y79-H83 PolarHBondContact OH-NE2 3.44Å | ||
| 84 | A | 95.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | trans | -68.9 | 139.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A82 Y86 W98 | A82-A84 PolarHBondContact O-N 2.91Å; A84-Y86 HydrophobicContact CB-CE1 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-W98 PolarHBondContact O-NE1 2.94Å | ||
| 85 | I | 97.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 63.2 Ų | 63.2 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | trans | -109.9 | 119.9 | 166.3 | -60.8 | 173.2 | 0 | 0 | 0 | 106.7 | K68 | K68-I85 HydrophobicContact CD-CG2 4.26Å; K68-I85 VanDerWaalsContact CE-CG2 3.46Å; K68-I85 HydrophobicContact CG-CG2 3.77Å | ||
| 86 | Y | 97.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 141.2 | -179.9 | -59.1 | -82.9 | 0 | 0 | 0 | 109.9 | K68 V69 A84 Y96 F97 W98 | K68-Y86 CarbonylContact C-O 3.54Å; K68-Y86 VanDerWaalsContact CA-O 3.31Å; K68-Y86 WeakPolarHBondContact CA-O 3.42Å; V69-Y86 PolarHBondContact N-O 2.96Å; V69-Y86 PolarHBondContact O-N 2.78Å; A84-Y86 HydrophobicContact CB-CE1 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-Y96 HydrophobicContact CD1-CD1 4.26Å; Y86-Y96 AromaticContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CG 4.31Å; Y86-Y96 AromaticContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CE1 4.3Å; Y86-F97 PolarHBondContact OH-O 3.04Å; Y86-W98 HydrophobicContact CD2-CH2 4.17Å; Y86-W98 AromaticContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CE2-CD2 4.43Å; Y86-W98 AromaticContact CE2-CE2 3.64Å; Y86-W98 HydrophobicContact CE2-CH2 4.17Å; Y86-W98 AromaticContact CE2-CZ2 3.5Å; Y86-W98 HydrophobicContact CE2-CZ2 3.5Å; Y86-W98 VanDerWaalsContact CE2-CZ2 3.5Å; Y86-W98 AromaticContact CE2-NE1 3.82Å |
| 87 | T | 97.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.8 | 167.6 | -58.3 | 0 | 0 | 0 | 0 | 107.6 | V66 V67 I120 | V66-T87 HydrophobicContact CG1-CG2 3.92Å; V67-T87 VanDerWaalsContact O-CA 3.31Å; V67-T87 WeakPolarHBondContact O-CA 3.31Å; T87-I120 HydrophobicContact CG2-CD1 4.38Å; T87-I120 HydrophobicContact CG2-CG1 4.26Å |
| 88 | S | 97.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.4 | -175.2 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | V67 Y96 I120 | V67-S88 PolarHBondContact N-O 2.8Å; V67-S88 PolarHBondContact O-N 2.9Å; S88-Y96 PolarHBondContact OG-OH 3.43Å; S88-I120 VanDerWaalsContact C-CG2 3.47Å |
| 89 | C | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 57 Ų | 57 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128 | 168.9 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | I120 C121 | C89-I120 HydrophobicContact CB-CG2 4.39Å; C89-C121 VanDerWaalsContact CA-SG 3.59Å; C89-C121 HydrophobicContact CB-CB 3.84Å; C89-C121 WeakPolarHBondContact CB-SG 3.21Å; C89-C121 WeakPolarHBondContact SG-CA 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.12Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.38Å |
| 90 | L | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 104.3 | -178.7 | -174.1 | 74.3 | 0 | 0 | 0 | 110 | L36 V57 N59 C64 M65 V67 N94 | L36-L90 HydrophobicContact CD2-CD2 3.6Å; V57-L90 HydrophobicContact CB-CD2 4.33Å; V57-L90 HydrophobicContact CG1-CD2 3.64Å; N59-L90 HydrophobicContact CB-CD2 3.92Å; N59-L90 HydrophobicContact CB-CG 3.96Å; N59-L90 PolarHBondContact ND2-O 2.84Å; C64-L90 WeakPolarHBondContact CA-O 3.46Å; M65-L90 HydrophobicContact CG-CB 4.36Å; M65-L90 PolarHBondContact N-O 2.82Å; M65-L90 PolarHBondContact O-N 2.89Å; V67-L90 HydrophobicContact CG1-CB 4.08Å; V67-L90 HydrophobicContact CG1-CD2 3.9Å; V67-L90 HydrophobicContact CG2-CB 3.84Å; V67-L90 HydrophobicContact CG2-CD2 4.27Å; L90-N94 HydrophobicContact CD1-CB 3.74Å |
| 91 | C | 95.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 55.8 Ų | 55.8 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -101 | -22.9 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 113.3 | C64 | C64-C91 HydrophobicContact CB-CB 4.11Å; C64-C91 WeakPolarHBondContact CB-SG 3.48Å; C64-C91 WeakPolarHBondContact SG-CB 3.5Å; C64-C91 CovalentContact SG-SG 2.04Å; C64-C91 PolarHBondContact SG-SG 2.86Å |
| 92 | S | 96.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -139.6 | -87.4 | -178.8 | 60 | 0 | 0 | 0 | 0 | 111.5 | N59 | N59-S92 WeakPolarHBondContact CB-O 3.24Å; N59-S92 PolarHBondContact N-O 3.41Å |
| 93 | A | 97.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 147 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V57 K58 | V57-A93 VanDerWaalsContact O-CA 3.29Å; V57-A93 WeakPolarHBondContact O-CA 3.29Å; K58-A93 HydrophobicContact CB-CB 4.38Å; K58-A93 HydrophobicContact CG-CB 4.37Å |
| 94 | N | 98.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.2 | 172.8 | -154.8 | 5.9 | 0 | 0 | 0 | 110.6 | Q56 V57 L90 Y96 | Q56-N94 WeakPolarHBondContact CA-O 3.46Å; V57-N94 PolarHBondContact N-O 2.86Å; V57-N94 PolarHBondContact O-N 2.86Å; L90-N94 HydrophobicContact CD1-CB 3.74Å; N94-Y96 HydrophobicContact CB-CE2 4.13Å |
| 95 | K | 98.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 56.1 Ų | 56.1 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.6 | 179.7 | -66 | -177.1 | 176.6 | -176.9 | 0 | 110.4 | T54 L55 Q56 F97 | T54-K95 HydrophobicContact CG2-CB 4.27Å; T54-K95 HydrophobicContact CG2-CD 4.09Å; T54-K95 HydrophobicContact CG2-CG 4.34Å; L55-K95 WeakPolarHBondContact O-CA 3.49Å; Q56-K95 HydrophobicContact CB-CG 4.23Å; Q56-K95 HydrophobicContact CG-CG 4.37Å; K95-F97 HydrophobicContact CB-CE1 4.25Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 3.39Å; K95-F97 HydrophobicContact CD-CZ 4.12Å; K95-F97 HydrophobicContact CG-CZ 4.39Å; K95-F97 WeakPolarHBondContact O-CE2 3.32Å |
| 96 | Y | 98.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.2 | 179.4 | -50.5 | -90.6 | 0 | 0 | 0 | 108.8 | T54 L55 V57 V67 V69 Y86 S88 N94 | T54-Y96 WeakPolarHBondContact CA-O 3.4Å; L55-Y96 PolarHBondContact N-O 3.4Å; L55-Y96 WeakPolarHBondContact O-CD2 3.31Å; L55-Y96 PolarHBondContact O-N 3.08Å; V57-Y96 HydrophobicContact CB-CE2 3.86Å; V57-Y96 HydrophobicContact CG2-CD2 3.82Å; V57-Y96 HydrophobicContact CG2-CE2 3.55Å; V67-Y96 WeakPolarHBondContact CG2-OH 3.28Å; V69-Y96 HydrophobicContact CB-CD1 4.12Å; V69-Y96 HydrophobicContact CB-CD2 4.18Å; V69-Y96 HydrophobicContact CB-CE1 4.16Å; V69-Y96 HydrophobicContact CB-CE2 4.26Å; V69-Y96 HydrophobicContact CB-CG 4.11Å; V69-Y96 HydrophobicContact CG1-CD1 4.39Å; V69-Y96 HydrophobicContact CG1-CD2 3.78Å; V69-Y96 HydrophobicContact CG1-CE2 4.22Å; V69-Y96 HydrophobicContact CG1-CG 3.88Å; V69-Y96 HydrophobicContact CG2-CD1 4.37Å; V69-Y96 HydrophobicContact CG2-CD2 4.1Å; V69-Y96 HydrophobicContact CG2-CE1 3.94Å; V69-Y96 HydrophobicContact CG2-CE2 3.68Å; V69-Y96 HydrophobicContact CG2-CG 4.42Å; Y86-Y96 HydrophobicContact CD1-CD1 4.26Å; Y86-Y96 AromaticContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CD1 3.8Å; Y86-Y96 HydrophobicContact CD2-CG 4.31Å; Y86-Y96 AromaticContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CD1 3.59Å; Y86-Y96 HydrophobicContact CG-CE1 4.3Å; S88-Y96 PolarHBondContact OG-OH 3.43Å; N94-Y96 HydrophobicContact CB-CE2 4.13Å |
| 97 | F | 97.5 | Very high | 97.4 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143 | -165.8 | -53.6 | -90.5 | 0 | 0 | 0 | 111.8 | V53 T54 Y86 K95 | V53-F97 VanDerWaalsContact O-CA 3.25Å; V53-F97 WeakPolarHBondContact O-CA 3.25Å; T54-F97 HydrophobicContact CG2-CD1 3.9Å; T54-F97 HydrophobicContact CG2-CE1 3.41Å; T54-F97 VanDerWaalsContact CG2-CE1 3.41Å; T54-F97 HydrophobicContact CG2-CZ 4.13Å; T54-F97 VanDerWaalsContact OG1-CD1 3.28Å; T54-F97 WeakPolarHBondContact OG1-CD1 3.44Å; T54-F97 VanDerWaalsContact OG1-CE1 3.31Å; T54-F97 WeakPolarHBondContact OG1-CE1 3.41Å; Y86-F97 PolarHBondContact OH-O 3.04Å; K95-F97 HydrophobicContact CB-CE1 4.25Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 3.39Å; K95-F97 HydrophobicContact CD-CZ 4.12Å; K95-F97 HydrophobicContact CG-CZ 4.39Å; K95-F97 WeakPolarHBondContact O-CE2 3.32Å |
| 98 | W | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 135.3 | 168.8 | -59.7 | -94.6 | 0 | 0 | 0 | 108.9 | V53 L55 V69 T71 Y79 A84 Y86 I100 | V53-W98 HydrophobicContact CB-CB 4.43Å; V53-W98 HydrophobicContact CB-CE3 4.42Å; V53-W98 WeakPolarHBondContact CB-O 3.33Å; V53-W98 HydrophobicContact CG1-CE3 4.2Å; V53-W98 PolarHBondContact N-O 2.84Å; V53-W98 PolarHBondContact O-N 2.65Å; V53-W98 VanDerWaalsContact O-N 3.07Å; L55-W98 HydrophobicContact CB-CZ3 3.87Å; L55-W98 HydrophobicContact CD2-CH2 4.41Å; L55-W98 HydrophobicContact CD2-CZ3 4.46Å; V69-W98 HydrophobicContact CG1-CH2 4.07Å; T71-W98 HydrophobicContact CG2-CD2 3.95Å; T71-W98 HydrophobicContact CG2-CE3 3.92Å; T71-W98 HydrophobicContact CG2-CH2 4.13Å; T71-W98 HydrophobicContact CG2-CZ2 4.13Å; T71-W98 HydrophobicContact CG2-CZ3 4.02Å; Y79-W98 HydrophobicContact CD1-CB 4.11Å; Y79-W98 AromaticContact CD1-CD1 3.79Å; Y79-W98 HydrophobicContact CD1-CG 4.22Å; Y79-W98 HydrophobicContact CE1-CB 4.05Å; Y79-W98 AromaticContact CE1-CD1 3.63Å; Y79-W98 AromaticContact CE1-CG 3.92Å; Y79-W98 HydrophobicContact CE1-CG 3.92Å; A84-W98 PolarHBondContact O-NE1 2.94Å; Y86-W98 HydrophobicContact CD2-CH2 4.17Å; Y86-W98 AromaticContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CD2-CZ2 3.62Å; Y86-W98 HydrophobicContact CE2-CD2 4.43Å; Y86-W98 AromaticContact CE2-CE2 3.64Å; Y86-W98 HydrophobicContact CE2-CH2 4.17Å; Y86-W98 AromaticContact CE2-CZ2 3.5Å; Y86-W98 HydrophobicContact CE2-CZ2 3.5Å; Y86-W98 VanDerWaalsContact CE2-CZ2 3.5Å; Y86-W98 AromaticContact CE2-NE1 3.82Å; W98-I100 HydrophobicContact CB-CG2 4.27Å |
| 99 | D | 97.7 | Very high | 97.5 | Very high | 57 Ų | 57 | 50 Ų | 50 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.9 | 166.6 | -67.6 | -27.2 | 0 | 0 | 0 | 108.8 | M45 T52 L80 | M45-D99 HydrophobicContact CE-CB 4.27Å; M45-D99 HydrophobicContact SD-CB 4.11Å; T52-D99 WeakPolarHBondContact CB-OD1 3.45Å; T52-D99 WeakPolarHBondContact CG2-OD1 3.44Å; T52-D99 PolarHBondContact OG1-OD1 2.03Å; L80-D99 HydrophobicContact CB-CB 4.15Å; L80-D99 HydrophobicContact CD1-CB 4.22Å; L80-D99 PolarHBondContact N-O 2.95Å |
| 100 | I | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.5 | -173.3 | 63.6 | 171 | 0 | 0 | 0 | 111.5 | E50 F51 V53 I77 K78 Y79 W98 V102 L108 I141 | E50-I100 CarbonylContact C-O 3.52Å; E50-I100 VanDerWaalsContact CA-O 3.25Å; E50-I100 WeakPolarHBondContact CA-O 3.42Å; F51-I100 HydrophobicContact CB-CG1 4.05Å; F51-I100 PolarHBondContact N-O 3Å; F51-I100 WeakPolarHBondContact O-CG1 3.28Å; F51-I100 PolarHBondContact O-N 2.77Å; V53-I100 HydrophobicContact CG2-CD1 3.6Å; V53-I100 HydrophobicContact CG2-CG1 3.91Å; V53-I100 HydrophobicContact CG2-CG2 4.43Å; I77-I100 HydrophobicContact CD1-CD1 4.49Å; I77-I100 HydrophobicContact CG2-CB 3.79Å; I77-I100 HydrophobicContact CG2-CD1 3.93Å; I77-I100 HydrophobicContact CG2-CG1 4.43Å; I77-I100 HydrophobicContact CG2-CG2 3.78Å; K78-I100 CarbonylContact O-C 3.5Å; K78-I100 VanDerWaalsContact O-CA 3.27Å; K78-I100 WeakPolarHBondContact O-CA 3.23Å; Y79-I100 HydrophobicContact CD1-CG2 3.8Å; Y79-I100 HydrophobicContact CE1-CG2 3.91Å; Y79-I100 HydrophobicContact CG-CG2 4.28Å; W98-I100 HydrophobicContact CB-CG2 4.27Å; I100-V102 HydrophobicContact CD1-CG2 3.93Å; I100-V102 HydrophobicContact CG1-CG2 4.36Å; I100-L108 HydrophobicContact CD1-CD2 4.23Å; I100-I141 HydrophobicContact CD1-CD1 3.7Å |
| 101 | Q | 97.8 | Very high | 97.6 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.9 | 166.2 | -179.2 | 172.6 | 58.3 | 0 | 0 | 109.1 | K48 N49 E50 K78 L80 | K48-Q101 PolarHBondContact O-NE2 2.97Å; N49-Q101 CarbonylContact O-C 3.51Å; N49-Q101 VanDerWaalsContact O-CA 3.31Å; N49-Q101 WeakPolarHBondContact O-CA 3.4Å; E50-Q101 HydrophobicContact CG-CB 4.21Å; E50-Q101 HydrophobicContact CG-CG 4.29Å; K78-Q101 PolarHBondContact N-O 2.92Å; K78-Q101 PolarHBondContact O-N 2.93Å; L80-Q101 HydrophobicContact CD2-CB 3.83Å; L80-Q101 HydrophobicContact CG-CB 4.39Å |
| 102 | V | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 129.8 | -173.7 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | N49 F51 S76 I77 I100 D104 T106 I141 V143 | N49-V102 WeakPolarHBondContact CB-O 3.44Å; N49-V102 PolarHBondContact ND2-O 3.27Å; N49-V102 PolarHBondContact O-N 2.92Å; F51-V102 HydrophobicContact CD2-CB 4.44Å; F51-V102 HydrophobicContact CD2-CG2 3.93Å; F51-V102 HydrophobicContact CE2-CB 4.16Å; F51-V102 HydrophobicContact CE2-CG2 4.1Å; S76-V102 WeakPolarHBondContact O-CA 3.33Å; I77-V102 HydrophobicContact CG1-CG2 4.36Å; I100-V102 HydrophobicContact CD1-CG2 3.93Å; I100-V102 HydrophobicContact CG1-CG2 4.36Å; V102-D104 WeakPolarHBondContact CG1-O 3.46Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; V102-I141 HydrophobicContact CG2-CD1 4.12Å; V102-I141 HydrophobicContact CG2-CG2 4.18Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.8Å |
| 103 | S | 97 | Very high | 97.8 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 47% | 0.469 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -81.4 | -40.1 | -179.8 | 64.4 | 0 | 0 | 0 | 0 | 113 | S76 | S76-S103 WeakPolarHBondContact CA-OG 3.47Å; S76-S103 PolarHBondContact O-N 2.85Å; S76-S103 PolarHBondContact O-OG 3.3Å |
| 104 | D | 96.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 44.9 Ų | 44.9 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -144 | 163.3 | -171.4 | -53.5 | -71.4 | 0 | 0 | 0 | 110.9 | V102 T106 | V102-D104 WeakPolarHBondContact CG1-O 3.46Å; D104-T106 WeakPolarHBondContact O-CB 3.45Å; D104-T106 PolarHBondContact O-N 3.44Å; D104-T106 VanDerWaalsContact O-N 3.17Å |
| 105 | N | 97.5 | Very high | 97.6 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -53 | 123.9 | 174.4 | -69.5 | -21 | 0 | 0 | 0 | 110.5 | I142 V143 | N105-I142 WeakPolarHBondContact OD1-CA 3.26Å; N105-I142 WeakPolarHBondContact OD1-CG2 3.21Å; N105-V143 PolarHBondContact OD1-N 3.31Å; N105-V143 PolarHBondContact OD1-O 3.06Å |
| 106 | T | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 179.7 | -170 | -157.4 | 0 | 0 | 0 | 0 | 112.4 | N74 I77 V102 D104 K140 I141 | N74-T106 PolarHBondContact ND2-OG1 2.8Å; N74-T106 PolarHBondContact OD1-OG1 2.83Å; I77-T106 HydrophobicContact CD1-CG2 4.04Å; I77-T106 HydrophobicContact CG1-CG2 3.92Å; V102-T106 HydrophobicContact CG1-CG2 3.67Å; D104-T106 WeakPolarHBondContact O-CB 3.45Å; D104-T106 PolarHBondContact O-N 3.44Å; D104-T106 VanDerWaalsContact O-N 3.17Å; T106-K140 WeakPolarHBondContact O-CA 3.14Å; T106-I141 PolarHBondContact N-O 3.05Å; T106-I141 PolarHBondContact O-N 2.77Å |
| 107 | A | 97.5 | Very high | 96.7 | Very high | 36 Ų | 36 | 44 Ų | 44 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | N74 T138 Q139 | N74-A107 PolarHBondContact ND2-O 2.91Å; A107-T138 HydrophobicContact CB-CG2 4.01Å; A107-Q139 WeakPolarHBondContact CA-O 3.41Å |
| 108 | L | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.7 | 170.8 | 178.1 | 66 | 0 | 0 | 0 | 109.2 | M40 V53 T71 I77 I100 T138 Q139 I141 | M40-L108 HydrophobicContact CE-CD2 4.49Å; M40-L108 HydrophobicContact CE-CG 4.48Å; M40-L108 HydrophobicContact SD-CD2 4.02Å; M40-L108 HydrophobicContact SD-CG 4.18Å; V53-L108 HydrophobicContact CB-CD2 4.06Å; V53-L108 HydrophobicContact CG1-CD2 3.53Å; V53-L108 HydrophobicContact CG2-CD2 3.36Å; T71-L108 HydrophobicContact CG2-CD1 4.01Å; T71-L108 HydrophobicContact CG2-CG 4.5Å; I77-L108 HydrophobicContact CD1-CB 3.97Å; I77-L108 HydrophobicContact CD1-CD1 3.69Å; I77-L108 HydrophobicContact CD1-CG 4.39Å; I100-L108 HydrophobicContact CD1-CD2 4.23Å; L108-T138 CarbonylContact O-C 3.51Å; L108-T138 WeakPolarHBondContact O-CA 3.38Å; L108-Q139 PolarHBondContact N-O 3.36Å; L108-Q139 PolarHBondContact O-N 3.42Å; L108-I141 HydrophobicContact CB-CD1 4.06Å |
| 109 | Q | 98.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.9 | 171.8 | -61.2 | -174.7 | 44.9 | 0 | 0 | 110.2 | T71 V72 A137 T138 | T71-Q109 CarbonylContact C-O 3.56Å; T71-Q109 VanDerWaalsContact CA-O 3.24Å; T71-Q109 WeakPolarHBondContact CA-O 3.24Å; V72-Q109 HydrophobicContact CB-CB 4Å; V72-Q109 HydrophobicContact CG2-CB 3.75Å; V72-Q109 PolarHBondContact N-O 2.87Å; Q109-A137 CarbonylContact C-O 3.51Å; Q109-A137 WeakPolarHBondContact CA-O 3.26Å; Q109-T138 HydrophobicContact CG-CG2 4.07Å; Q109-T138 WeakPolarHBondContact CG-OG1 3.36Å |
| 110 | G | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.3 | S70 T136 A137 | S70-G110 WeakPolarHBondContact O-CA 3.5Å; G110-T136 CarbonylContact O-C 3.57Å; G110-T136 VanDerWaalsContact O-CA 3.23Å; G110-T136 WeakPolarHBondContact O-CA 3.27Å; G110-A137 PolarHBondContact N-O 3.05Å; G110-A137 PolarHBondContact O-N 3.36Å |
| 111 | K | 98.2 | Very high | 95.2 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.7 | -177 | -179.1 | -175.9 | 166.1 | -169.9 | 0 | 109.3 | V69 S70 E113 V134 E135 T136 | V69-K111 WeakPolarHBondContact CA-O 2.98Å; S70-K111 PolarHBondContact N-O 2.82Å; S70-K111 PolarHBondContact O-N 2.99Å; K111-E113 VanDerWaalsContact CE-OE2 3.24Å; K111-E113 WeakPolarHBondContact CE-OE2 3.29Å; K111-E113 IonicContact NZ-OE2 2.75Å; K111-E113 PolarHBondContact NZ-OE2 3.37Å; K111-V134 HydrophobicContact CD-CG1 4.09Å; K111-V134 VanDerWaalsContact CE-CG1 3.45Å; K111-V134 HydrophobicContact CG-CG1 3.86Å; K111-E135 WeakPolarHBondContact CA-O 3.24Å; K111-T136 HydrophobicContact CB-CG2 4.3Å; K111-T136 HydrophobicContact CG-CG2 4.23Å |
| 112 | A | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L36 L38 V57 K68 V69 V134 E135 | L36-A112 HydrophobicContact CD1-CB 4.15Å; L38-A112 HydrophobicContact CD1-CB 3.91Å; L38-A112 HydrophobicContact CD2-CB 4.14Å; L38-A112 HydrophobicContact CG-CB 4.38Å; V57-A112 HydrophobicContact CG1-CB 3.94Å; V57-A112 HydrophobicContact CG2-CB 4.02Å; K68-A112 WeakPolarHBondContact O-CA 3.21Å; V69-A112 HydrophobicContact CG2-CB 4.23Å; A112-V134 WeakPolarHBondContact O-CA 3.38Å; A112-E135 PolarHBondContact N-O 2.91Å; A112-E135 PolarHBondContact O-N 2.79Å |
| 113 | E | 97.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.3 | -179.1 | -179.6 | 172.4 | 166.2 | 0 | 0 | 109.8 | V67 K68 K111 V115 Y133 V134 | V67-E113 CarbonylContact C-O 3.59Å; V67-E113 VanDerWaalsContact CA-O 3.28Å; V67-E113 WeakPolarHBondContact CA-O 3.48Å; K68-E113 PolarHBondContact N-O 3.12Å; K68-E113 PolarHBondContact O-N 2.75Å; K111-E113 VanDerWaalsContact CE-OE2 3.24Å; K111-E113 WeakPolarHBondContact CE-OE2 3.29Å; K111-E113 IonicContact NZ-OE2 2.75Å; K111-E113 PolarHBondContact NZ-OE2 3.37Å; E113-V115 HydrophobicContact CB-CG1 4.36Å; E113-V115 HydrophobicContact CG-CG1 3.85Å; E113-Y133 CarbonylContact C-O 3.48Å; E113-Y133 WeakPolarHBondContact CA-O 3.09Å; E113-V134 HydrophobicContact CB-CG2 4.07Å; E113-V134 HydrophobicContact CG-CG2 3.75Å |
| 114 | V | 96.2 | Very high | 94 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.9 | 172.9 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | L36 M65 V66 V130 S132 Y133 | L36-V114 HydrophobicContact CD1-CG2 3.7Å; L36-V114 HydrophobicContact CG-CG2 4.27Å; M65-V114 HydrophobicContact CB-CG1 4.14Å; M65-V114 HydrophobicContact SD-CG1 4.38Å; M65-V114 HydrophobicContact SD-CG2 3.62Å; V66-V114 WeakPolarHBondContact O-CA 3Å; V114-V130 WeakPolarHBondContact CG1-O 3.48Å; V114-S132 PolarHBondContact O-N 2.78Å; V114-Y133 HydrophobicContact CG2-CD1 4.33Å; V114-Y133 PolarHBondContact N-O 2.8Å |
| 115 | V | 95.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 65 Ų | 65 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | trans | -120.2 | 150.4 | -171.2 | -64.6 | 0 | 0 | 0 | 0 | 112.2 | V66 K68 E113 A117 | V66-V115 HydrophobicContact CB-CG2 4.3Å; V66-V115 HydrophobicContact CG1-CG2 3.83Å; V66-V115 PolarHBondContact O-N 3.04Å; K68-V115 HydrophobicContact CB-CG1 3.82Å; K68-V115 HydrophobicContact CB-CG2 4.21Å; E113-V115 HydrophobicContact CB-CG1 4.36Å; E113-V115 HydrophobicContact CG-CG1 3.85Å; V115-A117 HydrophobicContact CG2-CB 4.1Å; V115-A117 PolarHBondContact O-N 3.13Å | ||
| 116 | P | 91.8 | Very high | 93 | Very high | 101 Ų | 101 | 67 Ų | 67 | 66% | 0.656 | 36% | 0.364 | S | S | * | . | trans | -78.1 | 26.6 | -179.3 | 32.4 | -36.5 | 0 | 0 | 0 | 114.3 | K118 T131 | P116-K118 PolarHBondContact O-N 2.79Å; P116-T131 HydrophobicContact CB-CG2 3.93Å | ||
| 117 | A | 85.7 | Confident | 92.6 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | trans | -70.4 | 130.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112 | V66 V115 I120 | V66-A117 HydrophobicContact CG1-CB 4Å; V115-A117 HydrophobicContact CG2-CB 4.1Å; V115-A117 PolarHBondContact O-N 3.13Å; A117-I120 HydrophobicContact CB-CG1 4.02Å | ||
| 118 | K | 83.1 | Confident | 92.2 | Very high | 186 Ų | 186 | 68 Ų | 68 | 81% | 0.809 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 155.6 | 179.7 | -63.6 | -178 | 175.9 | -178.8 | 0 | 111.2 | P116 I120 | P116-K118 PolarHBondContact O-N 2.79Å; K118-I120 PolarHBondContact O-N 2.75Å; K118-I120 VanDerWaalsContact O-N 3.17Å |
| 119 | S | 88.2 | Confident | 91.6 | Very high | 112 Ų | 112 | 72 Ų | 72 | 78% | 0.783 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 19.4 | 173.3 | -49.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 120 | I | 94.2 | Very high | 91 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -94.5 | -39.3 | 173 | -58.6 | -61.2 | 0 | 0 | 0 | 111.1 | V66 T87 S88 C89 A117 K118 | V66-I120 HydrophobicContact CG1-CB 3.83Å; V66-I120 HydrophobicContact CG1-CG1 4.03Å; V66-I120 HydrophobicContact CG1-CG2 3.73Å; V66-I120 HydrophobicContact CG2-CB 3.97Å; V66-I120 HydrophobicContact CG2-CG2 4.32Å; T87-I120 HydrophobicContact CG2-CD1 4.38Å; T87-I120 HydrophobicContact CG2-CG1 4.26Å; S88-I120 VanDerWaalsContact C-CG2 3.47Å; C89-I120 HydrophobicContact CB-CG2 4.39Å; A117-I120 HydrophobicContact CB-CG1 4.02Å; K118-I120 PolarHBondContact O-N 2.75Å; K118-I120 VanDerWaalsContact O-N 3.17Å |
| 121 | C | 94.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 73.8 Ų | 73.8 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -89.3 | 151.8 | 170 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | C89 I127 | C89-C121 VanDerWaalsContact CA-SG 3.59Å; C89-C121 HydrophobicContact CB-CB 3.84Å; C89-C121 WeakPolarHBondContact CB-SG 3.21Å; C89-C121 WeakPolarHBondContact SG-CA 3.45Å; C89-C121 WeakPolarHBondContact SG-CB 3.12Å; C89-C121 CovalentContact SG-SG 2.03Å; C89-C121 PolarHBondContact SG-SG 3.38Å; C121-I127 HydrophobicContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact SG-CD1 3.59Å |
| 122 | P | 91.9 | Very high | 89.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | trans | -55.7 | 147 | 168.3 | -22.5 | 33.7 | 0 | 0 | 0 | 112.1 | D124 E125 | P122-D124 WeakPolarHBondContact CB-OD1 3.03Å; P122-D124 PolarHBondContact O-N 2.04Å; P122-E125 HydrophobicContact CB-CG 4.11Å; P122-E125 HydrophobicContact CG-CG 4.2Å; P122-E125 PolarHBondContact O-N 2.72Å | ||
| 123 | D | 86.2 | Confident | 89.7 | Confident | 162 Ų | 162 | 77.3 Ų | 77.3 | 87% | 0.866 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.3 | -175.1 | -68.3 | -34.5 | 0 | 0 | 0 | 113.5 | ||
| 124 | D | 88.7 | Confident | 89.6 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.1 | 178.5 | 59 | -47.1 | 0 | 0 | 0 | 113.8 | P122 | P122-D124 WeakPolarHBondContact CB-OD1 3.03Å; P122-D124 PolarHBondContact O-N 2.04Å |
| 125 | E | 86.4 | Confident | 89.6 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 38% | 0.383 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -84.6 | 139.4 | -179.4 | -70 | -68.9 | -177.2 | 0 | 0 | 112.8 | C64 P122 I127 | C64-E125 HydrophobicContact CB-CB 4.36Å; C64-E125 VanDerWaalsContact SG-CD 3.54Å; C64-E125 PolarHBondContact SG-OE2 3.11Å; C64-E125 VanDerWaalsContact SG-OE2 3.38Å; P122-E125 HydrophobicContact CB-CG 4.11Å; P122-E125 HydrophobicContact CG-CG 4.2Å; P122-E125 PolarHBondContact O-N 2.72Å; E125-I127 HydrophobicContact CB-CD1 4.08Å; E125-I127 PolarHBondContact O-N 3.35Å |
| 126 | K | 86.9 | Confident | 89.7 | Confident | 147 Ų | 147 | 82.7 Ų | 82.7 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 117.8 | 168.9 | -70.3 | -175.6 | -177.7 | 177.5 | 0 | 109.2 | Q63 C64 | Q63-K126 WeakPolarHBondContact CB-O 3.39Å; Q63-K126 HydrophobicContact CG-CB 4.39Å; C64-K126 PolarHBondContact N-O 2.77Å |
| 127 | I | 89.8 | Confident | 90 | Very high | 77 Ų | 77 | 78.5 Ų | 78.5 | 40% | 0.395 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 131.6 | -178.3 | -50.5 | -53.9 | 0 | 0 | 0 | 111.1 | C64 C121 E125 | C64-I127 HydrophobicContact CB-CD1 4.18Å; C64-I127 CarbonylContact O-C 3.5Å; C64-I127 VanDerWaalsContact O-CA 3.28Å; C64-I127 WeakPolarHBondContact O-CA 3.28Å; C121-I127 HydrophobicContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact CB-CD1 3.41Å; C121-I127 VanDerWaalsContact SG-CD1 3.59Å; E125-I127 HydrophobicContact CB-CD1 4.08Å; E125-I127 PolarHBondContact O-N 3.35Å |
| 128 | F | 89.1 | Confident | 90.6 | Very high | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.018 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -59 | 122.9 | 173 | -172.7 | -122.5 | 0 | 0 | 0 | 110 | W32 P35 V61 Q63 C64 M65 V130 | W32-F128 HydrophobicContact CD2-CE2 4.13Å; W32-F128 HydrophobicContact CG-CE2 4.14Å; W32-F128 HydrophobicContact CG-CZ 4.37Å; W32-F128 AromaticContact NE1-CE2 3.94Å; P35-F128 HydrophobicContact CB-CD1 4.4Å; P35-F128 HydrophobicContact CB-CE1 3.61Å; P35-F128 HydrophobicContact CB-CZ 3.98Å; P35-F128 HydrophobicContact CG-CE1 4.11Å; V61-F128 HydrophobicContact CB-CD2 4.42Å; V61-F128 HydrophobicContact CB-CE2 4.49Å; V61-F128 HydrophobicContact CG1-CD2 4.45Å; V61-F128 HydrophobicContact CG1-CE2 4.05Å; V61-F128 HydrophobicContact CG1-CZ 4.31Å; V61-F128 HydrophobicContact CG2-CB 4.37Å; V61-F128 HydrophobicContact CG2-CD2 3.88Å; V61-F128 HydrophobicContact CG2-CE2 4.29Å; V61-F128 HydrophobicContact CG2-CG 4.02Å; Q63-F128 HydrophobicContact CB-CB 4.16Å; C64-F128 PolarHBondContact O-N 2.85Å; M65-F128 HydrophobicContact CB-CB 3.91Å; M65-F128 HydrophobicContact CE-CB 4.18Å; M65-F128 HydrophobicContact CE-CD1 3.8Å; M65-F128 HydrophobicContact CE-CE1 4.41Å; M65-F128 HydrophobicContact CE-CG 4.1Å; F128-V130 HydrophobicContact CD1-CB 4.04Å; F128-V130 HydrophobicContact CE1-CB 3.48Å; F128-V130 VanDerWaalsContact CE1-CB 3.48Å; F128-V130 HydrophobicContact CE1-CG1 4.39Å; F128-V130 HydrophobicContact CE1-CG2 3.89Å; F128-V130 HydrophobicContact CE2-CG2 4.31Å; F128-V130 HydrophobicContact CZ-CB 3.84Å; F128-V130 HydrophobicContact CZ-CG2 3.68Å; F128-V130 PolarHBondContact O-N 3.21Å |
| 129 | P | 86 | Confident | 91.3 | Very high | 85 Ų | 85 | 75 Ų | 75 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | trans | -77.6 | -20.6 | -168 | 28.9 | -36.1 | 0 | 0 | 0 | 113.8 | T131 | P129-T131 PolarHBondContact O-N 3.11Š| ||
| 130 | V | 84.5 | Confident | 91.8 | Very high | 58 Ų | 58 | 77.5 Ų | 77.5 | 35% | 0.352 | 42% | 0.418 | S | S | . | . | trans | -74.5 | 126.1 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | V114 F128 | V114-V130 WeakPolarHBondContact CG1-O 3.48Å; F128-V130 HydrophobicContact CD1-CB 4.04Å; F128-V130 HydrophobicContact CE1-CB 3.48Å; F128-V130 VanDerWaalsContact CE1-CB 3.48Å; F128-V130 HydrophobicContact CE1-CG1 4.39Å; F128-V130 HydrophobicContact CE1-CG2 3.89Å; F128-V130 HydrophobicContact CE2-CG2 4.31Å; F128-V130 HydrophobicContact CZ-CB 3.84Å; F128-V130 HydrophobicContact CZ-CG2 3.68Å; F128-V130 PolarHBondContact O-N 3.21Å | ||
| 131 | T | 84.1 | Confident | 91.9 | Very high | 60 Ų | 60 | 74.3 Ų | 74.3 | 37% | 0.368 | 40% | 0.402 | S | S | . | . | trans | -120.5 | 161.7 | 175.7 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | P116 P129 Y133 | P116-T131 HydrophobicContact CB-CG2 3.93Å; P129-T131 PolarHBondContact O-N 3.11Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.18Å | ||
| 132 | S | 88.1 | Confident | 91.9 | Very high | 89 Ų | 89 | 79.9 Ų | 79.9 | 62% | 0.622 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 73.7 | 6.3 | -175 | -37 | 0 | 0 | 0 | 0 | 115.6 | V114 | V114-S132 PolarHBondContact O-N 2.78Š|
| 133 | Y | 94.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 77.7 Ų | 77.7 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | trans | -66.9 | 134.2 | 167.2 | -177.3 | -87.7 | 0 | 0 | 0 | 109.4 | P35 L36 E113 V114 T131 E135 | P35-Y133 VanDerWaalsContact CD-CE2 3.44Å; P35-Y133 HydrophobicContact CG-CD1 3.61Å; P35-Y133 HydrophobicContact CG-CD2 3.64Å; P35-Y133 HydrophobicContact CG-CE1 3.8Å; P35-Y133 HydrophobicContact CG-CE2 3.83Å; P35-Y133 HydrophobicContact CG-CG 3.53Å; L36-Y133 HydrophobicContact CB-CE1 4.05Å; L36-Y133 HydrophobicContact CD1-CD1 4.09Å; L36-Y133 HydrophobicContact CD1-CE1 4.35Å; L36-Y133 HydrophobicContact CG-CD1 4.39Å; L36-Y133 HydrophobicContact CG-CE1 4.39Å; E113-Y133 CarbonylContact C-O 3.48Å; E113-Y133 WeakPolarHBondContact CA-O 3.09Å; V114-Y133 HydrophobicContact CG2-CD1 4.33Å; V114-Y133 PolarHBondContact N-O 2.8Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.18Å; Y133-E135 HydrophobicContact CE1-CB 3.97Å; Y133-E135 PolarHBondContact OH-OE2 3.42Å | ||
| 134 | V | 96.2 | Very high | 91.6 | Very high | 61 Ų | 61 | 77.6 Ų | 77.6 | 37% | 0.37 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.1 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | K111 A112 E113 T136 | K111-V134 HydrophobicContact CD-CG1 4.09Å; K111-V134 VanDerWaalsContact CE-CG1 3.45Å; K111-V134 HydrophobicContact CG-CG1 3.86Å; A112-V134 WeakPolarHBondContact O-CA 3.38Å; E113-V134 HydrophobicContact CB-CG2 4.07Å; E113-V134 HydrophobicContact CG-CG2 3.75Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å |
| 135 | E | 96.7 | Very high | 91.7 | Very high | 63 Ų | 63 | 74.5 Ų | 74.5 | 29% | 0.294 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.1 | 169.2 | -163.8 | 60.3 | -147.5 | 0 | 0 | 109.9 | L36 L38 K111 A112 Y133 | L36-E135 HydrophobicContact CB-CB 4.49Å; L38-E135 HydrophobicContact CB-CG 4.5Å; L38-E135 HydrophobicContact CD1-CB 3.65Å; L38-E135 HydrophobicContact CD1-CG 3.64Å; L38-E135 HydrophobicContact CD2-CB 4.17Å; L38-E135 HydrophobicContact CD2-CG 4.22Å; L38-E135 WeakPolarHBondContact CD2-O 3.02Å; L38-E135 HydrophobicContact CG-CB 4.5Å; L38-E135 HydrophobicContact CG-CG 4.32Å; K111-E135 WeakPolarHBondContact CA-O 3.24Å; A112-E135 PolarHBondContact N-O 2.91Å; A112-E135 PolarHBondContact O-N 2.79Å; Y133-E135 HydrophobicContact CE1-CB 3.97Å; Y133-E135 PolarHBondContact OH-OE2 3.42Å |
| 136 | T | 97.8 | Very high | 92 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.8 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | G110 K111 V134 | G110-T136 CarbonylContact O-C 3.57Å; G110-T136 VanDerWaalsContact O-CA 3.23Å; G110-T136 WeakPolarHBondContact O-CA 3.27Å; K111-T136 HydrophobicContact CB-CG2 4.3Å; K111-T136 HydrophobicContact CG-CG2 4.23Å; V134-T136 HydrophobicContact CG1-CG2 4.35Å |
| 137 | A | 98.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 12% | 0.116 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L38 M40 L55 Q109 G110 | L38-A137 HydrophobicContact CB-CB 3.78Å; L38-A137 HydrophobicContact CD2-CB 4.23Å; M40-A137 HydrophobicContact CB-CB 4.03Å; L55-A137 HydrophobicContact CD1-CB 4.2Å; Q109-A137 CarbonylContact C-O 3.51Å; Q109-A137 WeakPolarHBondContact CA-O 3.26Å; G110-A137 PolarHBondContact N-O 3.05Å; G110-A137 PolarHBondContact O-N 3.36Å |
| 138 | T | 98 | Very high | 92.4 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.5 | 179.7 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | A107 L108 Q109 | A107-T138 HydrophobicContact CB-CG2 4.01Å; L108-T138 CarbonylContact O-C 3.51Å; L108-T138 WeakPolarHBondContact O-CA 3.38Å; Q109-T138 HydrophobicContact CG-CG2 4.07Å; Q109-T138 WeakPolarHBondContact CG-OG1 3.36Å |
| 139 | Q | 98 | Very high | 92.6 | Very high | 76 Ų | 76 | 73.8 Ų | 73.8 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.6 | 173.4 | -170.4 | 55.5 | 47.8 | 0 | 0 | 110.5 | M40 V42 A107 L108 | M40-Q139 HydrophobicContact CG-CB 4.07Å; M40-Q139 HydrophobicContact SD-CB 3.63Å; V42-Q139 HydrophobicContact CB-CG 4.11Å; V42-Q139 HydrophobicContact CG2-CB 3.94Å; V42-Q139 HydrophobicContact CG2-CG 3.59Å; A107-Q139 WeakPolarHBondContact CA-O 3.41Å; L108-Q139 PolarHBondContact N-O 3.36Å; L108-Q139 PolarHBondContact O-N 3.42Å |
| 140 | K | 97.5 | Very high | 93.1 | Very high | 163 Ų | 163 | 73 Ų | 73 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.8 | 171.5 | -69 | -177 | -179.1 | 178 | 0 | 109.5 | T106 | T106-K140 WeakPolarHBondContact O-CA 3.14Å |
| 141 | I | 97.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.1 | 176 | -49.8 | 179.1 | 0 | 0 | 0 | 107.2 | V42 F51 I100 V102 T106 L108 | V42-I141 HydrophobicContact CG1-CD1 3.95Å; V42-I141 HydrophobicContact CG1-CG1 4.1Å; V42-I141 HydrophobicContact CG2-CD1 4.33Å; V42-I141 HydrophobicContact CG2-CG1 4.44Å; F51-I141 HydrophobicContact CD1-CG2 4.3Å; F51-I141 HydrophobicContact CD2-CG2 3.97Å; F51-I141 HydrophobicContact CE1-CG2 3.93Å; F51-I141 HydrophobicContact CE2-CG2 3.57Å; F51-I141 HydrophobicContact CG-CG2 4.32Å; F51-I141 HydrophobicContact CZ-CG2 3.55Å; I100-I141 HydrophobicContact CD1-CD1 3.7Å; V102-I141 HydrophobicContact CG2-CD1 4.12Å; V102-I141 HydrophobicContact CG2-CG2 4.18Å; T106-I141 PolarHBondContact N-O 3.05Å; T106-I141 PolarHBondContact O-N 2.77Å; L108-I141 HydrophobicContact CB-CD1 4.06Å |
| 142 | I | 94.6 | Very high | 94.4 | Very high | 132 Ų | 132 | 75.2 Ų | 75.2 | 68% | 0.677 | 42% | 0.423 | S | S | * | . | trans | -108.5 | 126.7 | 178.2 | -57 | 179.3 | 0 | 0 | 0 | 106.9 | N105 | N105-I142 WeakPolarHBondContact OD1-CA 3.26Å; N105-I142 WeakPolarHBondContact OD1-CG2 3.21Å | ||
| 143 | V | 91.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 41% | 0.406 | C | S | . | . | trans | -106.6 | 148.1 | 176 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | N49 F51 V102 N105 | N49-V143 HydrophobicContact CB-CB 4.49Å; N49-V143 HydrophobicContact CB-CG1 3.87Å; F51-V143 HydrophobicContact CE2-CG1 4.02Å; F51-V143 HydrophobicContact CZ-CG1 4.22Å; V102-V143 HydrophobicContact CB-CG1 3.87Å; V102-V143 HydrophobicContact CG1-CG1 3.8Å; N105-V143 PolarHBondContact OD1-N 3.31Å; N105-V143 PolarHBondContact OD1-O 3.06Å | ||
| 144 | S | 78.7 | Confident | 95 | Very high | 159 Ų | 159 | 76.6 Ų | 76.6 | 100% | 1.112 | 43% | 0.427 | S | S | * | . | trans | -103.6 | 0 | -178.1 | 59.2 | 0 | 0 | 0 | 0 | 112.6 |
Retrieved 144 of 144 residues in 436.6 ms
(Link to these results)