| 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 | 30.1 | Very low | 41.1 | Very low | 239 Ų | 239 | 113.9 Ų | 113.9 | 100% | 1.177 | 66% | 0.658 | S | S | * | * | 0 | 105.3 | 0 | -75.4 | -92.3 | -129.1 | 0 | 0 | 107.8 | |||||
| 2 | P | 27.4 | Very low | 45.3 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | trans | -93 | 106.2 | 166.9 | 28.1 | -15.7 | 0 | 0 | 0 | 108.5 | N4 | P2-N4 VanDerWaalsContact C-N 3.28Å; P2-N4 PolarHBondContact O-N 2.82Å | ||
| 3 | A | 28.3 | Very low | 49 | Very low | 104 Ų | 104 | 102.8 Ų | 102.8 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | trans | -76.3 | 84.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 4 | N | 32.3 | Very low | 52.4 | Low | 98 Ų | 98 | 95.5 Ų | 95.5 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | trans | -97.2 | 117.8 | 160.3 | -83.4 | -6.4 | 0 | 0 | 0 | 106.7 | P2 N6 | P2-N4 VanDerWaalsContact C-N 3.28Å; P2-N4 PolarHBondContact O-N 2.82Å; N4-N6 PolarHBondContact O-N 2.81Å | ||
| 5 | G | 27.3 | Very low | 55.3 | Low | 71 Ų | 71 | 89.1 Ų | 89.1 | 73% | 0.732 | 51% | 0.509 | S | S | * | . | trans | -69.8 | 58.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H7 | G5-H7 VanDerWaalsContact C-N 3.28Å; G5-H7 PolarHBondContact O-N 2.95Å | ||
| 6 | N | 32.2 | Very low | 57.8 | Low | 105 Ų | 105 | 84.4 Ų | 84.4 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | trans | -80.7 | 86.3 | 152.4 | -106.2 | 7.1 | 0 | 0 | 0 | 106.3 | N4 P8 | N4-N6 PolarHBondContact O-N 2.81Å; N6-P8 WeakPolarHBondContact O-CD 3.18Å | ||
| 7 | H | 29.8 | Very low | 60.1 | Low | 165 Ų | 165 | 79.9 Ų | 79.9 | 76% | 0.764 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 121.8 | 155.6 | -73.4 | 76.1 | 0 | 0 | 0 | 105.1 | G5 L9 | G5-H7 VanDerWaalsContact C-N 3.28Å; G5-H7 PolarHBondContact O-N 2.95Å; H7-L9 PolarHBondContact O-N 3Å |
| 8 | P | 39.3 | Very low | 61.9 | Low | 76 Ų | 76 | 80.3 Ų | 80.3 | 49% | 0.494 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 118.3 | 176.2 | 21.1 | -29.8 | 0 | 0 | 0 | 106.5 | N6 K10 | N6-P8 WeakPolarHBondContact O-CD 3.18Å; P8-K10 PolarHBondContact O-N 3.48Å |
| 9 | L | 50.6 | Low | 63.6 | Low | 140 Ų | 140 | 79.8 Ų | 79.8 | 73% | 0.733 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -52 | 132 | 174.9 | -74.7 | 162 | 0 | 0 | 0 | 106.7 | H7 L11 | H7-L9 PolarHBondContact O-N 3Å; L9-L11 PolarHBondContact O-N 2.85Å |
| 10 | K | 70.6 | Confident | 65 | Low | 109 Ų | 109 | 77.5 Ų | 77.5 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 120.4 | 165 | -81.5 | -176.8 | 171.2 | 177.6 | 0 | 106.3 | P8 Q12 T46 E48 | P8-K10 PolarHBondContact O-N 3.48Å; K10-Q12 PolarHBondContact O-N 3.29Å; K10-Q12 VanDerWaalsContact O-N 3.14Å; K10-T46 HydrophobicContact CB-CG2 4.24Å; K10-E48 VanDerWaalsContact NZ-CD 3.33Å; K10-E48 IonicContact NZ-OE1 2.79Å; K10-E48 PolarHBondContact NZ-OE1 2.85Å |
| 11 | L | 83.9 | Confident | 66.4 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 124.3 | -174.6 | -171.2 | 83.1 | 0 | 0 | 0 | 109.7 | L9 L133 L212 L217 | L9-L11 PolarHBondContact O-N 2.85Å; L11-L133 HydrophobicContact CD1-CD2 4.18Å; L11-L133 HydrophobicContact CD2-CD2 3.79Å; L11-L133 HydrophobicContact CG-CD2 4.24Å; L11-L212 HydrophobicContact CD2-CD1 4.17Å; L11-L212 HydrophobicContact CD2-CD2 3.12Å; L11-L212 HydrophobicContact CD2-CG 4.27Å; L11-L212 HydrophobicContact CG-CD2 4.46Å; L11-L217 HydrophobicContact CD1-CD1 4.13Å; L11-L217 HydrophobicContact CD1-CG 4.36Å; L11-L217 HydrophobicContact CD2-CD2 3.67Å; L11-L217 HydrophobicContact CD2-CG 4.03Å |
| 12 | Q | 91.8 | Very high | 69.6 | Low | 84 Ų | 84 | 67.2 Ų | 67.2 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.4 | 179.2 | -74.2 | 178.4 | -8.6 | 0 | 0 | 109.8 | K10 I44 W45 T46 A134 | K10-Q12 PolarHBondContact O-N 3.29Å; K10-Q12 VanDerWaalsContact O-N 3.14Å; Q12-I44 HydrophobicContact CB-CG2 3.85Å; Q12-I44 HydrophobicContact CG-CG2 3.75Å; Q12-W45 WeakPolarHBondContact CA-O 3.39Å; Q12-T46 HydrophobicContact CG-CG2 3.67Å; Q12-A134 HydrophobicContact CB-CB 3.68Å; Q12-A134 VanDerWaalsContact O-CB 3.31Å; Q12-A134 WeakPolarHBondContact O-CB 3.35Å; Q12-A134 PolarHBondContact O-N 2.91Å |
| 13 | F | 94.1 | Very high | 73 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.3 | 179.3 | 56.9 | -89 | 0 | 0 | 0 | 111.3 | L15 W45 L47 W98 M131 H132 L212 | F13-L15 HydrophobicContact CD2-CD2 4.16Å; F13-L15 HydrophobicContact CD2-CG 4.16Å; F13-L15 HydrophobicContact CE2-CD1 4.34Å; F13-L15 HydrophobicContact CE2-CD2 4.07Å; F13-L15 HydrophobicContact CE2-CG 4.01Å; F13-W45 HydrophobicContact CD2-CB 4.36Å; F13-W45 HydrophobicContact CE2-CB 4Å; F13-W45 HydrophobicContact CZ-CB 4.31Å; F13-W45 PolarHBondContact N-O 2.95Å; F13-W45 PolarHBondContact O-N 3.24Å; F13-L47 HydrophobicContact CE1-CB 3.87Å; F13-L47 HydrophobicContact CZ-CB 4.06Å; F13-L47 HydrophobicContact CZ-CD1 4.39Å; F13-W98 HydrophobicContact CE2-CZ3 4.43Å; F13-M131 HydrophobicContact CB-CG 3.69Å; F13-M131 HydrophobicContact CB-SD 4.05Å; F13-M131 HydrophobicContact CD1-SD 4.27Å; F13-M131 HydrophobicContact CD2-CG 3.92Å; F13-M131 HydrophobicContact CD2-SD 4.31Å; F13-M131 HydrophobicContact CG-CG 3.89Å; F13-M131 HydrophobicContact CG-SD 3.96Å; F13-H132 CarbonylContact C-O 3.46Å; F13-H132 WeakPolarHBondContact CA-O 3.15Å; F13-H132 VanDerWaalsContact CB-O 3.3Å; F13-H132 WeakPolarHBondContact CB-O 3.43Å; F13-L212 HydrophobicContact CD1-CD1 4.14Å; F13-L212 HydrophobicContact CE1-CD1 3.8Å; F13-L212 HydrophobicContact CZ-CD1 4.48Å |
| 14 | G | 95.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 153.1 | 164 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q43 H132 | G14-Q43 WeakPolarHBondContact CA-O 3.4Å; G14-H132 PolarHBondContact N-O 2.89Å; G14-H132 PolarHBondContact O-N 2.99Å |
| 15 | L | 96.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.2 | 171.9 | -68.6 | 173.3 | 0 | 0 | 0 | 109.2 | F13 Y22 L23 L59 W98 L100 W129 A130 | F13-L15 HydrophobicContact CD2-CD2 4.16Å; F13-L15 HydrophobicContact CD2-CG 4.16Å; F13-L15 HydrophobicContact CE2-CD1 4.34Å; F13-L15 HydrophobicContact CE2-CD2 4.07Å; F13-L15 HydrophobicContact CE2-CG 4.01Å; L15-Y22 CarbonylContact O-C 3.57Å; L15-Y22 VanDerWaalsContact O-CA 3.29Å; L15-Y22 WeakPolarHBondContact O-CA 3.23Å; L15-L23 HydrophobicContact CB-CB 4.08Å; L15-L23 HydrophobicContact CB-CD2 4.49Å; L15-L23 HydrophobicContact CD1-CD2 3.96Å; L15-L23 PolarHBondContact O-N 2.97Å; L15-L59 HydrophobicContact CD1-CD2 3.6Å; L15-W98 HydrophobicContact CD2-CE3 4.2Å; L15-W98 HydrophobicContact CD2-CZ3 4.48Å; L15-L100 HydrophobicContact CD1-CD1 3.93Å; L15-W129 HydrophobicContact CB-CB 4.29Å; L15-W129 HydrophobicContact CB-CD2 4.3Å; L15-W129 HydrophobicContact CB-CE3 3.76Å; L15-W129 HydrophobicContact CB-CZ3 4.48Å; L15-W129 HydrophobicContact CD2-CB 4.09Å; L15-A130 WeakPolarHBondContact CA-O 3.34Å |
| 16 | I | 95.4 | Very high | 82.8 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.5 | -177.7 | -56.1 | -175.1 | 0 | 0 | 0 | 109.8 | G20 R21 Y22 W129 A130 H132 | I16-G20 VanDerWaalsContact CG2-C 3.46Å; I16-G20 VanDerWaalsContact CG2-CA 3.47Å; I16-R21 WeakPolarHBondContact CA-O 3.38Å; I16-Y22 HydrophobicContact CD1-CD1 4.19Å; I16-Y22 HydrophobicContact CD1-CE1 3.47Å; I16-Y22 VanDerWaalsContact CD1-CE1 3.47Å; I16-Y22 HydrophobicContact CD1-CE2 4.01Å; I16-Y22 WeakPolarHBondContact CD1-OH 3.48Å; I16-Y22 HydrophobicContact CG1-CD1 3.56Å; I16-Y22 HydrophobicContact CG1-CD2 4.46Å; I16-Y22 HydrophobicContact CG1-CE1 3.31Å; I16-Y22 HydrophobicContact CG1-CE2 4.28Å; I16-Y22 HydrophobicContact CG1-CG 4.14Å; I16-W129 CarbonylContact O-C 3.45Å; I16-W129 VanDerWaalsContact O-CA 3.28Å; I16-W129 WeakPolarHBondContact O-CA 3.32Å; I16-A130 HydrophobicContact CB-CB 4.39Å; I16-A130 PolarHBondContact N-O 2.94Å; I16-A130 PolarHBondContact O-N 2.83Å; I16-H132 HydrophobicContact CD1-CB 4.33Å; I16-H132 VanDerWaalsContact CD1-CD2 3.47Å; I16-H132 WeakPolarHBondContact CD1-CD2 3.15Å; I16-H132 WeakPolarHBondContact CD1-CE1 3.44Å; I16-H132 WeakPolarHBondContact CD1-ND1 3.45Å; I16-H132 VanDerWaalsContact CD1-NE2 3.32Å; I16-H132 WeakPolarHBondContact CD1-NE2 3.5Å |
| 17 | N | 95.6 | Very high | 85.6 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | trans | -81.4 | 179.7 | 176.3 | 74.3 | -8.2 | 0 | 0 | 0 | 112.6 | E19 G20 R21 G111 W129 | N17-E19 PolarHBondContact O-N 2.97Å; N17-E19 VanDerWaalsContact O-N 3.12Å; N17-E19 PolarHBondContact OD1-N 2.66Å; N17-E19 VanDerWaalsContact OD1-N 3.11Å; N17-G20 PolarHBondContact O-N 2.99Å; N17-G20 PolarHBondContact OD1-N 2.83Å; N17-R21 PolarHBondContact N-O 3.43Å; N17-R21 PolarHBondContact OD1-N 3.4Å; N17-R21 PolarHBondContact OD1-O 2.9Å; N17-G111 PolarHBondContact ND2-O 3.12Å; N17-G111 VanDerWaalsContact ND2-O 3.14Å; N17-W129 HydrophobicContact CB-CE3 4Å; N17-W129 HydrophobicContact CB-CH2 4.06Å; N17-W129 HydrophobicContact CB-CZ3 3.68Å | ||
| 18 | H | 93.8 | Very high | 88.5 | Confident | 87 Ų | 87 | 51 Ų | 51 | 40% | 0.403 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.5 | 177.3 | 66.3 | -81.7 | 0 | 0 | 0 | 115.2 | G20 D125 | H18-G20 VanDerWaalsContact C-N 3.29Å; H18-D125 HydrophobicContact CB-CB 4.29Å; H18-D125 WeakPolarHBondContact CB-O 3.08Å; H18-D125 PolarHBondContact ND1-O 3.18Å |
| 19 | E | 94.3 | Very high | 90.9 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.5 | 174.3 | -62.4 | -169.9 | 175.2 | 0 | 0 | 113 | N17 R21 S112 R113 | N17-E19 PolarHBondContact O-N 2.97Å; N17-E19 VanDerWaalsContact O-N 3.12Å; N17-E19 PolarHBondContact OD1-N 2.66Å; N17-E19 VanDerWaalsContact OD1-N 3.11Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 HydrophobicContact CB-CG 4.08Å; E19-R21 PolarHBondContact O-N 2.67Å; E19-S112 VanDerWaalsContact CD-CB 3.44Å; E19-S112 VanDerWaalsContact OE1-CB 3.32Å; E19-S112 WeakPolarHBondContact OE1-CB 3.42Å; E19-S112 PolarHBondContact OE1-OG 2.69Å; E19-S112 VanDerWaalsContact OE1-OG 3.07Å; E19-R113 IonicContact OE2-NE 2.83Å |
| 20 | G | 91.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 71.8 | 24.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | I16 N17 H18 | I16-G20 VanDerWaalsContact CG2-C 3.46Å; I16-G20 VanDerWaalsContact CG2-CA 3.47Å; N17-G20 PolarHBondContact O-N 2.99Å; N17-G20 PolarHBondContact OD1-N 2.83Å; H18-G20 VanDerWaalsContact C-N 3.29Å |
| 21 | R | 94.9 | Very high | 93.8 | Very high | 99 Ų | 99 | 48.9 Ų | 48.9 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | trans | -110.7 | 142.9 | -179.1 | -55.3 | -58.3 | -179.4 | 173.3 | -3.7 | 111.9 | I16 N17 E19 A34 A36 | I16-R21 WeakPolarHBondContact CA-O 3.38Å; N17-R21 PolarHBondContact N-O 3.43Å; N17-R21 PolarHBondContact OD1-N 3.4Å; N17-R21 PolarHBondContact OD1-O 2.9Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 HydrophobicContact CB-CG 4.08Å; E19-R21 PolarHBondContact O-N 2.67Å; R21-A34 WeakPolarHBondContact CB-O 3.48Å; R21-A36 WeakPolarHBondContact CA-O 3.42Å | ||
| 22 | Y | 96.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.2 | -177.6 | -72.2 | -87.6 | 0 | 0 | 0 | 112.8 | L15 I16 T24 A34 A36 S38 L39 Q43 H132 | L15-Y22 CarbonylContact O-C 3.57Å; L15-Y22 VanDerWaalsContact O-CA 3.29Å; L15-Y22 WeakPolarHBondContact O-CA 3.23Å; I16-Y22 HydrophobicContact CD1-CD1 4.19Å; I16-Y22 HydrophobicContact CD1-CE1 3.47Å; I16-Y22 VanDerWaalsContact CD1-CE1 3.47Å; I16-Y22 HydrophobicContact CD1-CE2 4.01Å; I16-Y22 WeakPolarHBondContact CD1-OH 3.48Å; I16-Y22 HydrophobicContact CG1-CD1 3.56Å; I16-Y22 HydrophobicContact CG1-CD2 4.46Å; I16-Y22 HydrophobicContact CG1-CE1 3.31Å; I16-Y22 HydrophobicContact CG1-CE2 4.28Å; I16-Y22 HydrophobicContact CG1-CG 4.14Å; Y22-T24 PolarHBondContact O-N 3.34Å; Y22-T24 PolarHBondContact O-OG1 3.44Å; Y22-A34 WeakPolarHBondContact O-CA 3.34Å; Y22-A36 PolarHBondContact N-O 3.25Å; Y22-S38 VanDerWaalsContact CD2-C 3.47Å; Y22-L39 HydrophobicContact CD1-CB 4.22Å; Y22-L39 HydrophobicContact CD1-CD1 4.01Å; Y22-L39 HydrophobicContact CE1-CB 3.7Å; Y22-L39 HydrophobicContact CE1-CD1 4.06Å; Y22-L39 HydrophobicContact CE1-CD2 4.22Å; Y22-L39 HydrophobicContact CE1-CG 4.21Å; Y22-L39 HydrophobicContact CE2-CB 4.2Å; Y22-Q43 VanDerWaalsContact CB-CG 3.41Å; Y22-Q43 HydrophobicContact CD1-CB 4.48Å; Y22-Q43 HydrophobicContact CG-CB 4.32Å; Y22-Q43 HydrophobicContact CG-CG 4.15Å; Y22-H132 HydrophobicContact CE1-CB 4.18Å; Y22-H132 PolarHBondContact OH-ND1 2.75Å; Y22-H132 VanDerWaalsContact OH-ND1 3.15Å |
| 23 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 123.2 | 165.3 | -178.9 | 62.8 | 0 | 0 | 0 | 110 | L15 N33 Q43 W45 F109 L116 W129 | L15-L23 HydrophobicContact CB-CB 4.08Å; L15-L23 HydrophobicContact CB-CD2 4.49Å; L15-L23 HydrophobicContact CD1-CD2 3.96Å; L15-L23 PolarHBondContact O-N 2.97Å; L23-N33 CarbonylContact C-O 3.57Å; L23-Q43 WeakPolarHBondContact O-CA 3.39Å; L23-W45 HydrophobicContact CD1-CZ2 4.49Å; L23-W45 HydrophobicContact CD2-CD2 4.29Å; L23-W45 HydrophobicContact CD2-CH2 4.34Å; L23-W45 HydrophobicContact CD2-CZ2 3.69Å; L23-W45 HydrophobicContact CG-CZ2 3.67Å; L23-W45 PolarHBondContact O-NE1 3.31Å; L23-F109 HydrophobicContact CD1-CE1 4.28Å; L23-F109 HydrophobicContact CD1-CZ 3.79Å; L23-F109 HydrophobicContact CD2-CE1 4.02Å; L23-F109 HydrophobicContact CD2-CZ 4.28Å; L23-L116 HydrophobicContact CD1-CD1 3.61Å; L23-W129 HydrophobicContact CB-CE3 4.41Å; L23-W129 HydrophobicContact CB-CH2 4.19Å; L23-W129 HydrophobicContact CB-CZ3 3.74Å; L23-W129 HydrophobicContact CD1-CH2 4.12Å |
| 24 | T | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.7 | -169.8 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | Y22 E26 L32 N33 A36 K42 Q43 | Y22-T24 PolarHBondContact O-N 3.34Å; Y22-T24 PolarHBondContact O-OG1 3.44Å; T24-E26 WeakPolarHBondContact CG2-OE1 3.31Å; T24-L32 WeakPolarHBondContact O-CA 3.35Å; T24-L32 WeakPolarHBondContact O-CD2 3.38Å; T24-N33 WeakPolarHBondContact CB-OD1 3.46Å; T24-N33 PolarHBondContact N-O 2.81Å; T24-N33 PolarHBondContact O-N 2.76Å; T24-N33 VanDerWaalsContact O-N 3.13Å; T24-A36 WeakPolarHBondContact OG1-CB 3.39Å; T24-K42 WeakPolarHBondContact CA-O 3.47Å; T24-K42 HydrophobicContact CG2-CB 3.88Å; T24-K42 HydrophobicContact CG2-CD 4.49Å; T24-Q43 VanDerWaalsContact CG2-NE2 3.27Å; T24-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T24-Q43 PolarHBondContact OG1-NE2 3.18Å |
| 25 | A | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L32 K42 W45 H62 | A25-L32 HydrophobicContact CB-CD2 4.11Å; A25-K42 PolarHBondContact N-O 3.35Å; A25-W45 HydrophobicContact CB-CH2 4.22Å; A25-W45 HydrophobicContact CB-CZ2 4.02Å; A25-H62 PolarHBondContact O-CE1 3.25Å; A25-H62 VanDerWaalsContact O-CE1 3.3Å |
| 26 | E | 96.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | trans | -73.7 | 146.8 | 177.6 | -71.2 | -57.1 | 146.3 | 0 | 0 | 111.8 | T24 F28 K31 N33 K42 L63 | T24-E26 WeakPolarHBondContact CG2-OE1 3.31Å; E26-F28 PolarHBondContact O-N 2.94Å; E26-K31 PolarHBondContact N-O 2.95Å; E26-N33 WeakPolarHBondContact CG-ND2 3.43Å; E26-N33 PolarHBondContact OE1-ND2 2.83Å; E26-K42 VanDerWaalsContact CD-NZ 3.26Å; E26-K42 IonicContact OE1-NZ 3.14Å; E26-K42 PolarHBondContact OE1-NZ 2.9Å; E26-K42 IonicContact OE2-NZ 3.97Å; E26-K42 PolarHBondContact OE2-NZ 2.7Å; E26-L63 WeakPolarHBondContact O-CD1 3.47Å | ||
| 27 | N | 92.1 | Very high | 94.4 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -65 | -23.8 | -177.8 | -72.2 | -19.8 | 0 | 0 | 0 | 113 | H62 | N27-H62 PolarHBondContact OD1-NE2 2.81Š|
| 28 | F | 90.2 | Very high | 94 | Very high | 181 Ų | 181 | 50.3 Ų | 50.3 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -133.7 | 148.3 | -175.7 | -56.2 | -72.9 | 0 | 0 | 0 | 110.8 | E26 F30 | E26-F28 PolarHBondContact O-N 2.94Å; F28-F30 PolarHBondContact O-N 3.4Å |
| 29 | G | 89.6 | Confident | 93.9 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 8.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K31 | G29-K31 WeakPolarHBondContact O-CG 3.44Å; G29-K31 PolarHBondContact O-N 2.98Å |
| 30 | F | 90.8 | Very high | 93.8 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26.7 | 174.8 | -49 | -61.6 | 0 | 0 | 0 | 114.5 | F28 C77 E78 | F28-F30 PolarHBondContact O-N 3.4Å; F30-C77 PolarHBondContact O-N 3.17Å; F30-C77 VanDerWaalsContact O-N 3.11Å; F30-E78 HydrophobicContact CB-CB 3.79Å; F30-E78 HydrophobicContact CB-CG 4.41Å; F30-E78 HydrophobicContact CD1-CB 4.27Å; F30-E78 HydrophobicContact CD1-CG 4.35Å; F30-E78 HydrophobicContact CD2-CB 3.9Å; F30-E78 HydrophobicContact CD2-CG 3.54Å; F30-E78 HydrophobicContact CE2-CG 3.78Å; F30-E78 HydrophobicContact CG-CB 3.73Å; F30-E78 HydrophobicContact CG-CG 3.85Å; F30-E78 HydrophobicContact CZ-CG 4.29Å |
| 31 | K | 92.1 | Very high | 93.8 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | trans | -84.9 | 151 | -178.9 | -65.8 | -170.8 | 179.4 | -178 | 0 | 111.4 | E26 G29 | E26-K31 PolarHBondContact N-O 2.95Å; G29-K31 WeakPolarHBondContact O-CG 3.44Å; G29-K31 PolarHBondContact O-N 2.98Å | ||
| 32 | L | 97.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.7 | 174.3 | -64.4 | 170.6 | 0 | 0 | 0 | 110.1 | T24 A25 W45 L67 V75 C77 L116 | T24-L32 WeakPolarHBondContact O-CA 3.35Å; T24-L32 WeakPolarHBondContact O-CD2 3.38Å; A25-L32 HydrophobicContact CB-CD2 4.11Å; L32-W45 HydrophobicContact CD2-CH2 3.62Å; L32-W45 HydrophobicContact CD2-CZ2 3.75Å; L32-L67 HydrophobicContact CD1-CD1 3.29Å; L32-V75 HydrophobicContact CD1-CB 4.42Å; L32-C77 HydrophobicContact CD1-CB 4.14Å; L32-C77 HydrophobicContact CD2-CB 3.75Å; L32-C77 HydrophobicContact CG-CB 3.96Å; L32-L116 HydrophobicContact CB-CD1 3.9Å |
| 33 | N | 97.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 168.1 | 169 | 66.1 | 74.4 | 0 | 0 | 0 | 111 | L23 T24 E26 S35 R113 D114 | L23-N33 CarbonylContact C-O 3.57Å; T24-N33 WeakPolarHBondContact CB-OD1 3.46Å; T24-N33 PolarHBondContact N-O 2.81Å; T24-N33 PolarHBondContact O-N 2.76Å; T24-N33 VanDerWaalsContact O-N 3.13Å; E26-N33 WeakPolarHBondContact CG-ND2 3.43Å; E26-N33 PolarHBondContact OE1-ND2 2.83Å; N33-S35 PolarHBondContact OD1-N 3.13Å; N33-R113 CarbonylContact C-O 3.54Å; N33-R113 WeakPolarHBondContact CA-O 3.1Å; N33-R113 VanDerWaalsContact CB-O 3.29Å; N33-R113 WeakPolarHBondContact CB-O 3.39Å; N33-D114 VanDerWaalsContact CB-OD1 3.24Å; N33-D114 WeakPolarHBondContact CB-OD1 3.35Å |
| 34 | A | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 66.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R21 Y22 R113 L116 W129 | R21-A34 WeakPolarHBondContact CB-O 3.48Å; Y22-A34 WeakPolarHBondContact O-CA 3.34Å; A34-R113 PolarHBondContact N-O 2.79Å; A34-R113 PolarHBondContact O-N 2.83Å; A34-L116 HydrophobicContact CB-CD2 4.06Å; A34-W129 HydrophobicContact CB-CH2 4.08Å; A34-W129 HydrophobicContact CB-CZ3 4.3Å |
| 35 | S | 95.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -17.1 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 113.8 | N33 R113 | N33-S35 PolarHBondContact OD1-N 3.13Å; S35-R113 WeakPolarHBondContact OG-CA 3.39Å |
| 36 | A | 92.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 55 Ų | 55 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R21 Y22 T24 S38 Q43 | R21-A36 WeakPolarHBondContact CA-O 3.42Å; Y22-A36 PolarHBondContact N-O 3.25Å; T24-A36 WeakPolarHBondContact OG1-CB 3.39Å; A36-S38 VanDerWaalsContact C-N 3.35Å; A36-Q43 HydrophobicContact CB-CG 3.81Å; A36-Q43 VanDerWaalsContact CB-NE2 3.31Å |
| 37 | P | 89 | Confident | 93.1 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -75.6 | -19.4 | 176 | 26.7 | -32 | 0 | 0 | 0 | 114.3 | ||
| 38 | S | 87.4 | Confident | 93 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -136 | 145.2 | -166.4 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | Y22 A36 K40 N388 | Y22-S38 VanDerWaalsContact CD2-C 3.47Å; A36-S38 VanDerWaalsContact C-N 3.35Å; S38-K40 PolarHBondContact O-N 2.81Å; S38-N388 VanDerWaalsContact CB-O 3.25Å; S38-N388 WeakPolarHBondContact CB-O 3.33Å |
| 39 | L | 91.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | trans | -76.8 | 98.4 | 174.1 | -174 | 52.6 | 0 | 0 | 0 | 110.4 | Y22 Q43 I44 A134 | Y22-L39 HydrophobicContact CD1-CB 4.22Å; Y22-L39 HydrophobicContact CD1-CD1 4.01Å; Y22-L39 HydrophobicContact CE1-CB 3.7Å; Y22-L39 HydrophobicContact CE1-CD1 4.06Å; Y22-L39 HydrophobicContact CE1-CD2 4.22Å; Y22-L39 HydrophobicContact CE1-CG 4.21Å; Y22-L39 HydrophobicContact CE2-CB 4.2Å; L39-Q43 HydrophobicContact CD1-CB 3.49Å; L39-Q43 VanDerWaalsContact CD1-CB 3.49Å; L39-Q43 VanDerWaalsContact CD1-O 3.28Å; L39-Q43 WeakPolarHBondContact CD1-O 3.29Å; L39-I44 HydrophobicContact CD1-CG1 4.25Å; L39-A134 HydrophobicContact CD2-CB 4.07Å | ||
| 40 | K | 90.4 | Very high | 92.8 | Very high | 89 Ų | 89 | 43.2 Ų | 43.2 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | trans | -115.4 | -174 | 171.8 | -64.5 | 172 | 166.7 | 173.7 | 0 | 109.6 | S38 K42 Q43 I44 D387 N388 | S38-K40 PolarHBondContact O-N 2.81Å; K40-K42 VanDerWaalsContact C-N 3.27Å; K40-K42 PolarHBondContact O-N 2.92Å; K40-K42 VanDerWaalsContact O-N 3.12Å; K40-Q43 VanDerWaalsContact CB-OE1 3.28Å; K40-Q43 WeakPolarHBondContact O-CB 3.28Å; K40-Q43 PolarHBondContact O-N 2.79Å; K40-Q43 PolarHBondContact O-OE1 2.93Å; K40-I44 PolarHBondContact O-N 2.97Å; K40-D387 WeakPolarHBondContact CE-O 3.23Å; K40-N388 PolarHBondContact NZ-OD1 3.27Å | ||
| 41 | K | 91.8 | Very high | 92.4 | Very high | 151 Ų | 151 | 44.7 Ų | 44.7 | 66% | 0.657 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -46.6 | -45 | -178.8 | -171.6 | 178.5 | -178.2 | -179.9 | 0 | 113.8 | Q43 I44 H62 | K41-Q43 PolarHBondContact O-N 2.93Å; K41-I44 PolarHBondContact O-N 3.29Å; K41-H62 HydrophobicContact CG-CB 4.26Å; K41-H62 WeakPolarHBondContact O-CB 3.41Å; K41-H62 VanDerWaalsContact O-CG 3.23Å |
| 42 | K | 95.8 | Very high | 92.1 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -71.4 | -14.5 | -177.6 | -62.1 | -164.1 | -59.9 | 168.1 | 0 | 114.6 | T24 A25 E26 K40 | T24-K42 WeakPolarHBondContact CA-O 3.47Å; T24-K42 HydrophobicContact CG2-CB 3.88Å; T24-K42 HydrophobicContact CG2-CD 4.49Å; A25-K42 PolarHBondContact N-O 3.35Å; E26-K42 VanDerWaalsContact CD-NZ 3.26Å; E26-K42 IonicContact OE1-NZ 3.14Å; E26-K42 PolarHBondContact OE1-NZ 2.9Å; E26-K42 IonicContact OE2-NZ 3.97Å; E26-K42 PolarHBondContact OE2-NZ 2.7Å; K40-K42 VanDerWaalsContact C-N 3.27Å; K40-K42 PolarHBondContact O-N 2.92Å; K40-K42 VanDerWaalsContact O-N 3.12Å |
| 43 | Q | 96.9 | Very high | 91.5 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -100.7 | -1.4 | -178.5 | -67.3 | 70.3 | 41 | 0 | 0 | 111.9 | G14 Y22 L23 T24 A36 L39 K40 K41 | G14-Q43 WeakPolarHBondContact CA-O 3.4Å; Y22-Q43 VanDerWaalsContact CB-CG 3.41Å; Y22-Q43 HydrophobicContact CD1-CB 4.48Å; Y22-Q43 HydrophobicContact CG-CB 4.32Å; Y22-Q43 HydrophobicContact CG-CG 4.15Å; L23-Q43 WeakPolarHBondContact O-CA 3.39Å; T24-Q43 VanDerWaalsContact CG2-NE2 3.27Å; T24-Q43 WeakPolarHBondContact OG1-CG 3.47Å; T24-Q43 PolarHBondContact OG1-NE2 3.18Å; A36-Q43 HydrophobicContact CB-CG 3.81Å; A36-Q43 VanDerWaalsContact CB-NE2 3.31Å; L39-Q43 HydrophobicContact CD1-CB 3.49Å; L39-Q43 VanDerWaalsContact CD1-CB 3.49Å; L39-Q43 VanDerWaalsContact CD1-O 3.28Å; L39-Q43 WeakPolarHBondContact CD1-O 3.29Å; K40-Q43 VanDerWaalsContact CB-OE1 3.28Å; K40-Q43 WeakPolarHBondContact O-CB 3.28Å; K40-Q43 PolarHBondContact O-N 2.79Å; K40-Q43 PolarHBondContact O-OE1 2.93Å; K41-Q43 PolarHBondContact O-N 2.93Å |
| 44 | I | 95.7 | Very high | 90.6 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | trans | -83.4 | 126.5 | 179.5 | -68.5 | 176.1 | 0 | 0 | 0 | 109.8 | Q12 L39 K40 K41 H62 A134 | Q12-I44 HydrophobicContact CB-CG2 3.85Å; Q12-I44 HydrophobicContact CG-CG2 3.75Å; L39-I44 HydrophobicContact CD1-CG1 4.25Å; K40-I44 PolarHBondContact O-N 2.97Å; K41-I44 PolarHBondContact O-N 3.29Å; I44-H62 PolarHBondContact O-N 3.19Å; I44-A134 HydrophobicContact CG1-CB 4.41Å | ||
| 45 | W | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.8 | 173.5 | -62.9 | 86.7 | 0 | 0 | 0 | 110.1 | Q12 F13 L23 A25 L32 L59 R60 L67 | Q12-W45 WeakPolarHBondContact CA-O 3.39Å; F13-W45 HydrophobicContact CD2-CB 4.36Å; F13-W45 HydrophobicContact CE2-CB 4Å; F13-W45 HydrophobicContact CZ-CB 4.31Å; F13-W45 PolarHBondContact N-O 2.95Å; F13-W45 PolarHBondContact O-N 3.24Å; L23-W45 HydrophobicContact CD1-CZ2 4.49Å; L23-W45 HydrophobicContact CD2-CD2 4.29Å; L23-W45 HydrophobicContact CD2-CH2 4.34Å; L23-W45 HydrophobicContact CD2-CZ2 3.69Å; L23-W45 HydrophobicContact CG-CZ2 3.67Å; L23-W45 PolarHBondContact O-NE1 3.31Å; A25-W45 HydrophobicContact CB-CH2 4.22Å; A25-W45 HydrophobicContact CB-CZ2 4.02Å; L32-W45 HydrophobicContact CD2-CH2 3.62Å; L32-W45 HydrophobicContact CD2-CZ2 3.75Å; W45-L59 HydrophobicContact CE3-CB 4.07Å; W45-L59 HydrophobicContact CZ3-CB 4.44Å; W45-R60 CarbonylContact C-O 3.54Å; W45-R60 WeakPolarHBondContact CA-O 2.85Å; W45-L67 HydrophobicContact CZ3-CB 4.14Å |
| 46 | T | 93.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 10% | 0.104 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 151.8 | 170.2 | 53.3 | 0 | 0 | 0 | 0 | 109.2 | K10 Q12 R60 | K10-T46 HydrophobicContact CB-CG2 4.24Å; Q12-T46 HydrophobicContact CG-CG2 3.67Å; T46-R60 PolarHBondContact N-O 3.26Å; T46-R60 PolarHBondContact O-N 3.27Å; T46-R60 PolarHBondContact OG1-O 2.89Å |
| 47 | L | 90.9 | Very high | 89.9 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.2 | 177.1 | -159.4 | 73.2 | 0 | 0 | 0 | 109.8 | F13 V57 L59 I90 L212 | F13-L47 HydrophobicContact CE1-CB 3.87Å; F13-L47 HydrophobicContact CZ-CB 4.06Å; F13-L47 HydrophobicContact CZ-CD1 4.39Å; L47-V57 HydrophobicContact CD1-CB 3.73Å; L47-V57 HydrophobicContact CD1-CG1 4.32Å; L47-V57 HydrophobicContact CD1-CG2 3.84Å; L47-V57 HydrophobicContact CD2-CB 4.33Å; L47-V57 HydrophobicContact CD2-CG1 4Å; L47-V57 HydrophobicContact CG-CB 4Å; L47-V57 HydrophobicContact CG-CG1 4.16Å; L47-L59 HydrophobicContact CD1-CD1 4.22Å; L47-L59 HydrophobicContact CD1-CG 4.05Å; L47-I90 HydrophobicContact CD1-CD1 4.05Å; L47-I90 HydrophobicContact CD2-CD1 3.7Å; L47-L212 HydrophobicContact CB-CD1 4.03Å; L47-L212 HydrophobicContact CD2-CB 3.75Å; L47-L212 HydrophobicContact CD2-CD1 3.79Å; L47-L212 HydrophobicContact CD2-CG 4.38Å |
| 48 | E | 90.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139 | 169.8 | -55.1 | -170.4 | 168.9 | 0 | 0 | 108.7 | K10 V57 Y58 R60 Y66 H82 | K10-E48 VanDerWaalsContact NZ-CD 3.33Å; K10-E48 IonicContact NZ-OE1 2.79Å; K10-E48 PolarHBondContact NZ-OE1 2.85Å; E48-V57 CarbonylContact O-C 3.45Å; E48-V57 VanDerWaalsContact O-CA 3.26Å; E48-V57 WeakPolarHBondContact O-CA 3.45Å; E48-Y58 PolarHBondContact N-O 2.84Å; E48-Y58 PolarHBondContact O-N 2.97Å; E48-R60 WeakPolarHBondContact OE1-CD 3.41Å; E48-R60 IonicContact OE1-CZ 2.71Å; E48-R60 IonicContact OE1-NE 3.94Å; E48-R60 IonicContact OE1-NH1 3.02Å; E48-R60 PolarHBondContact OE1-NH1 3.1Å; E48-R60 VanDerWaalsContact OE1-NH1 3.14Å; E48-Y66 PolarHBondContact OE2-OH 2.89Å; E48-H82 IonicContact OE2-CE1 2.73Å; E48-H82 IonicContact OE2-NE2 2.68Å; E48-H82 PolarHBondContact OE2-NE2 3.49Å; E48-H82 VanDerWaalsContact OE2-NE2 3.08Å |
| 49 | Q | 87.7 | Confident | 90.6 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 28% | 0.276 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140 | -177.1 | -168.2 | 172.4 | -0.8 | 0 | 0 | 109.1 | T54 | Q49-T54 PolarHBondContact NE2-O 3.02Å |
| 50 | D | 88.1 | Confident | 90.8 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | trans | -63.8 | 138.6 | 175.9 | -165.8 | -72.9 | 0 | 0 | 0 | 110.7 | Q52 E53 V56 Y58 R87 | D50-Q52 PolarHBondContact OD1-N 2.71Å; D50-E53 HydrophobicContact CB-CB 4.36Å; D50-E53 WeakPolarHBondContact CB-O 3.44Å; D50-E53 PolarHBondContact OD1-N 3.48Å; D50-V56 HydrophobicContact CB-CB 3.98Å; D50-V56 HydrophobicContact CB-CG1 4.33Å; D50-V56 PolarHBondContact N-O 2.75Å; D50-Y58 HydrophobicContact CB-CE2 3.9Å; D50-Y58 PolarHBondContact OD2-OH 3.38Å; D50-R87 IonicContact OD2-NH1 3.33Å; D50-R87 PolarHBondContact OD2-NH1 2.98Å | ||
| 51 | S | 82.6 | Confident | 91.1 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -72.2 | -27.5 | -176 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 52 | Q | 84.4 | Confident | 91.2 | Very high | 164 Ų | 164 | 47.7 Ų | 47.7 | 77% | 0.766 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -100.2 | -41.9 | -179.9 | -57.7 | -57.5 | -42.8 | 0 | 0 | 110.4 | D50 | D50-Q52 PolarHBondContact OD1-N 2.71Š|
| 53 | E | 85.4 | Confident | 91.2 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | trans | -110.9 | 83.6 | -174.2 | -69.1 | -176.5 | -114 | 0 | 0 | 111.9 | D50 Q55 V56 R87 | D50-E53 HydrophobicContact CB-CB 4.36Å; D50-E53 WeakPolarHBondContact CB-O 3.44Å; D50-E53 PolarHBondContact OD1-N 3.48Å; E53-Q55 PolarHBondContact O-N 3.46Å; E53-V56 HydrophobicContact CB-CB 4.31Å; E53-V56 HydrophobicContact CB-CG2 3.91Å; E53-V56 WeakPolarHBondContact O-CB 3.31Å; E53-V56 PolarHBondContact O-N 3.04Å; E53-R87 IonicContact OE1-CZ 3.69Å; E53-R87 IonicContact OE1-NH2 3.04Å; E53-R87 PolarHBondContact OE1-NH2 2.98Å; E53-R87 IonicContact OE2-NH2 3.61Å; E53-R87 PolarHBondContact OE2-NH2 2.89Å | ||
| 54 | T | 79.9 | Confident | 91.1 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.6 | -173.3 | 64.6 | 0 | 0 | 0 | 0 | 116.4 | Q49 | Q49-T54 PolarHBondContact NE2-O 3.02Š|
| 55 | Q | 85.3 | Confident | 91.1 | Very high | 147 Ų | 147 | 50.1 Ų | 50.1 | 69% | 0.687 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -18.3 | 173.8 | -61.7 | -57.7 | -67.5 | 0 | 0 | 112.8 | E53 L89 | E53-Q55 PolarHBondContact O-N 3.46Å; Q55-L89 HydrophobicContact CB-CD2 4.29Å; Q55-L89 WeakPolarHBondContact O-CD2 3.07Å |
| 56 | V | 92.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.7 | -176.8 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | D50 E53 R87 L89 E103 | D50-V56 HydrophobicContact CB-CB 3.98Å; D50-V56 HydrophobicContact CB-CG1 4.33Å; D50-V56 PolarHBondContact N-O 2.75Å; E53-V56 HydrophobicContact CB-CB 4.31Å; E53-V56 HydrophobicContact CB-CG2 3.91Å; E53-V56 WeakPolarHBondContact O-CB 3.31Å; E53-V56 PolarHBondContact O-N 3.04Å; V56-R87 HydrophobicContact CG1-CB 3.77Å; V56-R87 HydrophobicContact CG1-CG 3.89Å; V56-L89 HydrophobicContact CG2-CD2 4.01Å; V56-E103 HydrophobicContact CG2-CG 4.38Å; V56-E103 WeakPolarHBondContact CG2-OE1 3.19Å |
| 57 | V | 93.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.6 | -178.8 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | L47 E48 L59 F88 I90 | L47-V57 HydrophobicContact CD1-CB 3.73Å; L47-V57 HydrophobicContact CD1-CG1 4.32Å; L47-V57 HydrophobicContact CD1-CG2 3.84Å; L47-V57 HydrophobicContact CD2-CB 4.33Å; L47-V57 HydrophobicContact CD2-CG1 4Å; L47-V57 HydrophobicContact CG-CB 4Å; L47-V57 HydrophobicContact CG-CG1 4.16Å; E48-V57 CarbonylContact O-C 3.45Å; E48-V57 VanDerWaalsContact O-CA 3.26Å; E48-V57 WeakPolarHBondContact O-CA 3.45Å; V57-L59 HydrophobicContact CG2-CD1 4.39Å; V57-F88 HydrophobicContact CG2-CB 4.37Å; V57-F88 VanDerWaalsContact CG2-O 3.3Å; V57-F88 WeakPolarHBondContact CG2-O 3.48Å; V57-F88 PolarHBondContact N-O 3.27Å; V57-F88 PolarHBondContact O-N 3.33Å; V57-I90 HydrophobicContact CG2-CD1 4.03Å; V57-I90 HydrophobicContact CG2-CG1 3.93Å |
| 58 | Y | 95.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.1 | 175.5 | -52.9 | -88.4 | 0 | 0 | 0 | 108.4 | E48 D50 H82 C86 R87 | E48-Y58 PolarHBondContact N-O 2.84Å; E48-Y58 PolarHBondContact O-N 2.97Å; D50-Y58 HydrophobicContact CB-CE2 3.9Å; D50-Y58 PolarHBondContact OD2-OH 3.38Å; Y58-H82 HydrophobicContact CD1-CB 4.17Å; Y58-H82 AromaticContact CD1-CD2 3.84Å; Y58-H82 AromaticContact CD1-CG 3.98Å; Y58-H82 AromaticContact CD2-CE1 3.9Å; Y58-H82 AromaticContact CD2-NE2 3.9Å; Y58-H82 HydrophobicContact CE1-CB 3.66Å; Y58-H82 AromaticContact CE1-CG 3.83Å; Y58-H82 HydrophobicContact CE2-CB 4.47Å; Y58-H82 AromaticContact CE2-CG 3.96Å; Y58-H82 AromaticContact CE2-ND1 3.78Å; Y58-H82 AromaticContact CG-CD2 3.76Å; Y58-H82 AromaticContact CG-NE2 3.97Å; Y58-H82 AromaticContact CZ-CG 3.82Å; Y58-H82 AromaticContact CZ-ND1 3.99Å; Y58-C86 HydrophobicContact CD1-CB 3.9Å; Y58-C86 VanDerWaalsContact CD1-O 3.28Å; Y58-C86 WeakPolarHBondContact CD1-O 3.48Å; Y58-C86 HydrophobicContact CE1-CB 4.32Å; Y58-R87 HydrophobicContact CE1-CG 3.64Å; Y58-R87 PolarHBondContact OH-NH1 3.47Å |
| 59 | L | 96 | Very high | 92.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.6 | 176 | -71.1 | 85.3 | 0 | 0 | 0 | 109 | L15 W45 L47 V57 Y66 L67 F88 L100 | L15-L59 HydrophobicContact CD1-CD2 3.6Å; W45-L59 HydrophobicContact CE3-CB 4.07Å; W45-L59 HydrophobicContact CZ3-CB 4.44Å; L47-L59 HydrophobicContact CD1-CD1 4.22Å; L47-L59 HydrophobicContact CD1-CG 4.05Å; V57-L59 HydrophobicContact CG2-CD1 4.39Å; L59-Y66 CarbonylContact O-C 3.59Å; L59-Y66 WeakPolarHBondContact O-CA 3.41Å; L59-L67 HydrophobicContact CB-CB 4Å; L59-L67 HydrophobicContact CB-CD2 4.32Å; L59-L67 HydrophobicContact CD1-CD2 4.39Å; L59-L67 HydrophobicContact CD2-CD2 4.22Å; L59-L67 PolarHBondContact O-N 3.33Å; L59-F88 HydrophobicContact CD1-CB 4.19Å; L59-F88 HydrophobicContact CD1-CD2 4.48Å; L59-F88 HydrophobicContact CD1-CG 4.42Å; L59-L100 HydrophobicContact CD1-CD2 4.22Å; L59-L100 HydrophobicContact CD2-CD1 3.77Å; L59-L100 HydrophobicContact CD2-CD2 4.48Å |
| 60 | R | 96 | Very high | 92.5 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.7 | -176.8 | -171.8 | 179.1 | -176.6 | -158.1 | -7.9 | 111.3 | W45 T46 E48 G64 R65 Y66 | W45-R60 CarbonylContact C-O 3.54Å; W45-R60 WeakPolarHBondContact CA-O 2.85Å; T46-R60 PolarHBondContact N-O 3.26Å; T46-R60 PolarHBondContact O-N 3.27Å; T46-R60 PolarHBondContact OG1-O 2.89Å; E48-R60 WeakPolarHBondContact OE1-CD 3.41Å; E48-R60 IonicContact OE1-CZ 2.71Å; E48-R60 IonicContact OE1-NE 3.94Å; E48-R60 IonicContact OE1-NH1 3.02Å; E48-R60 PolarHBondContact OE1-NH1 3.1Å; E48-R60 VanDerWaalsContact OE1-NH1 3.14Å; R60-G64 VanDerWaalsContact NE-CA 3.29Å; R60-G64 PolarHBondContact NE-O 2.79Å; R60-R65 CarbonylContact C-O 3.58Å; R60-R65 WeakPolarHBondContact CA-O 3.32Å; R60-Y66 HydrophobicContact CB-CD1 3.83Å; R60-Y66 HydrophobicContact CB-CE1 3.64Å; R60-Y66 HydrophobicContact CG-CD1 4.19Å; R60-Y66 HydrophobicContact CG-CE1 3.83Å |
| 61 | S | 96.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 53 Ų | 53 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 171.4 | 178.4 | 65.7 | 0 | 0 | 0 | 0 | 113 | L63 G64 R65 | S61-L63 PolarHBondContact O-N 3.45Å; S61-L63 VanDerWaalsContact O-N 3.17Å; S61-L63 PolarHBondContact OG-N 3.18Å; S61-G64 PolarHBondContact O-N 2.85Å; S61-R65 PolarHBondContact N-O 2.81Å; S61-R65 PolarHBondContact OG-N 2.85Å; S61-R65 PolarHBondContact OG-O 2.93Å |
| 62 | H | 93.7 | Very high | 93.6 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.1 | 173.7 | 73.4 | -69.5 | 0 | 0 | 0 | 114.7 | A25 N27 K41 I44 | A25-H62 PolarHBondContact O-CE1 3.25Å; A25-H62 VanDerWaalsContact O-CE1 3.3Å; N27-H62 PolarHBondContact OD1-NE2 2.81Å; K41-H62 HydrophobicContact CG-CB 4.26Å; K41-H62 WeakPolarHBondContact O-CB 3.41Å; K41-H62 VanDerWaalsContact O-CG 3.23Å; I44-H62 PolarHBondContact O-N 3.19Å |
| 63 | L | 94.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 39% | 0.393 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.4 | 173.9 | -60.4 | 175.3 | 0 | 0 | 0 | 112.3 | E26 S61 R65 | E26-L63 WeakPolarHBondContact O-CD1 3.47Å; S61-L63 PolarHBondContact O-N 3.45Å; S61-L63 VanDerWaalsContact O-N 3.17Å; S61-L63 PolarHBondContact OG-N 3.18Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 HydrophobicContact CB-CG 4.13Å; L63-R65 PolarHBondContact O-N 2.95Å |
| 64 | G | 94.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 76.2 | 13 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R60 S61 | R60-G64 VanDerWaalsContact NE-CA 3.29Å; R60-G64 PolarHBondContact NE-O 2.79Å; S61-G64 PolarHBondContact O-N 2.85Å |
| 65 | R | 96.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 44.5 Ų | 44.5 | 25% | 0.249 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 154.3 | 178.1 | -56.3 | -63.2 | -171.9 | 160.1 | -17.4 | 111.8 | R60 S61 L63 C77 E78 A79 D80 | R60-R65 CarbonylContact C-O 3.58Å; R60-R65 WeakPolarHBondContact CA-O 3.32Å; S61-R65 PolarHBondContact N-O 2.81Å; S61-R65 PolarHBondContact OG-N 2.85Å; S61-R65 PolarHBondContact OG-O 2.93Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 HydrophobicContact CB-CG 4.13Å; L63-R65 PolarHBondContact O-N 2.95Å; R65-C77 VanDerWaalsContact CB-O 3.25Å; R65-C77 WeakPolarHBondContact CB-O 3.15Å; R65-E78 VanDerWaalsContact CD-O 3.31Å; R65-E78 WeakPolarHBondContact CD-O 3.33Å; R65-E78 PolarHBondContact NH1-O 3.04Å; R65-A79 CarbonylContact C-O 3.43Å; R65-A79 WeakPolarHBondContact CA-O 3.32Å; R65-A79 WeakPolarHBondContact CD-O 3.4Å; R65-D80 IonicContact CZ-OD2 2.69Å; R65-D80 IonicContact NH1-OD2 2.82Å; R65-D80 PolarHBondContact NH1-OD2 2.85Å; R65-D80 IonicContact NH2-OD2 2.72Å |
| 66 | Y | 97.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 5% | 0.051 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.6 | -174.4 | -60.9 | -84.3 | 0 | 0 | 0 | 113 | E48 L59 R60 A68 C77 A79 G81 H82 | E48-Y66 PolarHBondContact OE2-OH 2.89Å; L59-Y66 CarbonylContact O-C 3.59Å; L59-Y66 WeakPolarHBondContact O-CA 3.41Å; R60-Y66 HydrophobicContact CB-CD1 3.83Å; R60-Y66 HydrophobicContact CB-CE1 3.64Å; R60-Y66 HydrophobicContact CG-CD1 4.19Å; R60-Y66 HydrophobicContact CG-CE1 3.83Å; Y66-A68 PolarHBondContact O-N 2.98Å; Y66-C77 VanDerWaalsContact O-CA 3.32Å; Y66-C77 WeakPolarHBondContact O-CA 3.38Å; Y66-A79 WeakPolarHBondContact CD2-O 3.36Å; Y66-A79 PolarHBondContact N-O 2.79Å; Y66-G81 WeakPolarHBondContact CD2-O 3.35Å; Y66-H82 AromaticContact CE1-CD2 3.65Å; Y66-H82 AromaticContact CE1-NE2 3.6Å; Y66-H82 AromaticContact CE2-CD2 3.96Å; Y66-H82 AromaticContact CZ-CD2 3.52Å; Y66-H82 AromaticContact CZ-NE2 3.55Å; Y66-H82 PolarHBondContact OH-NE2 2.95Å |
| 67 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 130.7 | 165.6 | 176.6 | 64.6 | 0 | 0 | 0 | 108.9 | L32 W45 L59 C86 F88 F109 | L32-L67 HydrophobicContact CD1-CD1 3.29Å; W45-L67 HydrophobicContact CZ3-CB 4.14Å; L59-L67 HydrophobicContact CB-CB 4Å; L59-L67 HydrophobicContact CB-CD2 4.32Å; L59-L67 HydrophobicContact CD1-CD2 4.39Å; L59-L67 HydrophobicContact CD2-CD2 4.22Å; L59-L67 PolarHBondContact O-N 3.33Å; L67-C86 WeakPolarHBondContact O-CA 2.98Å; L67-F88 HydrophobicContact CB-CE2 4.4Å; L67-F88 HydrophobicContact CD2-CE1 4.39Å; L67-F88 HydrophobicContact CD2-CE2 4.11Å; L67-F88 HydrophobicContact CD2-CZ 4.03Å; L67-F88 HydrophobicContact CG-CE2 3.84Å; L67-F88 HydrophobicContact CG-CZ 3.9Å; L67-F88 WeakPolarHBondContact O-CE2 3.41Å; L67-F109 HydrophobicContact CD1-CE2 4.41Å; L67-F109 HydrophobicContact CD1-CZ 4.27Å; L67-F109 HydrophobicContact CD2-CD1 4.17Å; L67-F109 HydrophobicContact CD2-CE1 4.11Å |
| 68 | A | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y66 V75 T76 D85 | Y66-A68 PolarHBondContact O-N 2.98Å; A68-V75 VanDerWaalsContact O-CA 3.29Å; A68-V75 WeakPolarHBondContact O-CA 3.31Å; A68-T76 PolarHBondContact N-O 2.8Å; A68-T76 PolarHBondContact O-N 2.87Å; A68-D85 CarbonylContact C-O 3.52Å; A68-D85 VanDerWaalsContact CA-O 3.26Å; A68-D85 WeakPolarHBondContact CA-O 3.45Å; A68-D85 HydrophobicContact CB-CB 4.2Å |
| 69 | S | 97.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.1 | 167.7 | -179 | 0 | 0 | 0 | 0 | 110.3 | K74 D85 Y105 C118 | S69-K74 WeakPolarHBondContact CA-O 3.2Å; S69-D85 PolarHBondContact N-O 2.9Å; S69-D85 VanDerWaalsContact O-CB 3.23Å; S69-D85 WeakPolarHBondContact O-CB 3.26Å; S69-Y105 VanDerWaalsContact O-CE2 3.24Å; S69-Y105 WeakPolarHBondContact O-CE2 3.4Å; S69-C118 VanDerWaalsContact OG-CB 3.31Å; S69-C118 WeakPolarHBondContact OG-CB 3.38Å |
| 70 | D | 96.3 | Very high | 96.4 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | trans | -92.5 | 179.6 | 167.8 | 69 | 20.8 | 0 | 0 | 0 | 112.5 | D72 G73 K74 Y105 | D70-D72 PolarHBondContact O-N 2.9Å; D70-D72 WeakPolarHBondContact OD1-CA 3.27Å; D70-D72 PolarHBondContact OD1-N 2.95Å; D70-G73 PolarHBondContact O-N 3.12Å; D70-G73 PolarHBondContact OD1-N 2.92Å; D70-G73 VanDerWaalsContact OD1-N 3.08Å; D70-K74 PolarHBondContact N-O 2.97Å; D70-K74 VanDerWaalsContact N-O 3.15Å; D70-K74 WeakPolarHBondContact OD1-CB 3.3Å; D70-K74 PolarHBondContact OD1-N 2.71Å; D70-K74 WeakPolarHBondContact OD2-CB 3.39Å; D70-Y105 VanDerWaalsContact C-CE2 3.45Å | ||
| 71 | K | 96.6 | Very high | 96.2 | Very high | 141 Ų | 141 | 47.7 Ų | 47.7 | 61% | 0.613 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.1 | 178.8 | 69.8 | -177.3 | -177.9 | 178.6 | 0 | 114.6 | G73 Y105 | K71-G73 VanDerWaalsContact C-N 3.29Å; K71-Y105 HydrophobicContact CB-CD1 3.9Å; K71-Y105 HydrophobicContact CB-CE1 3.49Å; K71-Y105 VanDerWaalsContact CB-CE1 3.49Å |
| 72 | D | 97.3 | Very high | 96.1 | Very high | 114 Ų | 114 | 51.7 Ų | 51.7 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.1 | -179 | -60.3 | -48.7 | 0 | 0 | 0 | 110.7 | D70 K74 | D70-D72 PolarHBondContact O-N 2.9Å; D70-D72 WeakPolarHBondContact OD1-CA 3.27Å; D70-D72 PolarHBondContact OD1-N 2.95Å; D72-K74 VanDerWaalsContact C-N 3.32Å |
| 73 | G | 96.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | 78.6 | 13.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D70 K71 S117 C118 | D70-G73 PolarHBondContact O-N 3.12Å; D70-G73 PolarHBondContact OD1-N 2.92Å; D70-G73 VanDerWaalsContact OD1-N 3.08Å; K71-G73 VanDerWaalsContact C-N 3.29Å; G73-S117 WeakPolarHBondContact O-CA 3.21Å; G73-C118 VanDerWaalsContact CA-O 3.31Å; G73-C118 WeakPolarHBondContact CA-O 3.49Å; G73-C118 PolarHBondContact O-N 3.27Å | ||
| 74 | K | 97.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 52.3 Ų | 52.3 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | trans | -74.6 | 129.6 | 175.3 | -178.8 | -172.9 | 174.6 | -171.3 | 0 | 109.2 | S69 D70 D72 | S69-K74 WeakPolarHBondContact CA-O 3.2Å; D70-K74 PolarHBondContact N-O 2.97Å; D70-K74 VanDerWaalsContact N-O 3.15Å; D70-K74 WeakPolarHBondContact OD1-CB 3.3Å; D70-K74 PolarHBondContact OD1-N 2.71Å; D70-K74 WeakPolarHBondContact OD2-CB 3.39Å; D72-K74 VanDerWaalsContact C-N 3.32Å | ||
| 75 | V | 97.5 | Very high | 96.2 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139.9 | -179.5 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | L32 A68 F109 L116 C118 | L32-V75 HydrophobicContact CD1-CB 4.42Å; A68-V75 VanDerWaalsContact O-CA 3.29Å; A68-V75 WeakPolarHBondContact O-CA 3.31Å; V75-F109 HydrophobicContact CB-CE2 4.3Å; V75-F109 HydrophobicContact CG1-CD2 3.73Å; V75-F109 HydrophobicContact CG1-CE2 3.87Å; V75-F109 HydrophobicContact CG2-CE2 4.29Å; V75-L116 HydrophobicContact CG2-CB 3.81Å; V75-L116 WeakPolarHBondContact CG2-O 3.12Å; V75-C118 HydrophobicContact CG1-CB 3.77Å |
| 76 | T | 96 | Very high | 96.2 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 167.3 | 178.6 | 64 | 0 | 0 | 0 | 0 | 111.1 | A68 | A68-T76 PolarHBondContact N-O 2.8Å; A68-T76 PolarHBondContact O-N 2.87Å |
| 77 | C | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 56 | 171.3 | -162.7 | 0 | 0 | 0 | 0 | 111.5 | F30 L32 R65 Y66 | F30-C77 PolarHBondContact O-N 3.17Å; F30-C77 VanDerWaalsContact O-N 3.11Å; L32-C77 HydrophobicContact CD1-CB 4.14Å; L32-C77 HydrophobicContact CD2-CB 3.75Å; L32-C77 HydrophobicContact CG-CB 3.96Å; R65-C77 VanDerWaalsContact CB-O 3.25Å; R65-C77 WeakPolarHBondContact CB-O 3.15Å; Y66-C77 VanDerWaalsContact O-CA 3.32Å; Y66-C77 WeakPolarHBondContact O-CA 3.38Å |
| 78 | E | 96.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -30 | -172.4 | -178 | 167.5 | -172.7 | 0 | 0 | 113.7 | F30 R65 D80 | F30-E78 HydrophobicContact CB-CB 3.79Å; F30-E78 HydrophobicContact CB-CG 4.41Å; F30-E78 HydrophobicContact CD1-CB 4.27Å; F30-E78 HydrophobicContact CD1-CG 4.35Å; F30-E78 HydrophobicContact CD2-CB 3.9Å; F30-E78 HydrophobicContact CD2-CG 3.54Å; F30-E78 HydrophobicContact CE2-CG 3.78Å; F30-E78 HydrophobicContact CG-CB 3.73Å; F30-E78 HydrophobicContact CG-CG 3.85Å; F30-E78 HydrophobicContact CZ-CG 4.29Å; R65-E78 VanDerWaalsContact CD-O 3.31Å; R65-E78 WeakPolarHBondContact CD-O 3.33Å; R65-E78 PolarHBondContact NH1-O 3.04Å; E78-D80 PolarHBondContact O-N 2.79Å |
| 79 | A | 95.9 | Very high | 96.1 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 131.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R65 Y66 | R65-A79 CarbonylContact C-O 3.43Å; R65-A79 WeakPolarHBondContact CA-O 3.32Å; R65-A79 WeakPolarHBondContact CD-O 3.4Å; Y66-A79 WeakPolarHBondContact CD2-O 3.36Å; Y66-A79 PolarHBondContact N-O 2.79Å |
| 80 | D | 92.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 55.6 Ų | 55.6 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -96.2 | 0.6 | 171.8 | 40.6 | 26.7 | 0 | 0 | 0 | 113.5 | R65 E78 | R65-D80 IonicContact CZ-OD2 2.69Å; R65-D80 IonicContact NH1-OD2 2.82Å; R65-D80 PolarHBondContact NH1-OD2 2.85Å; R65-D80 IonicContact NH2-OD2 2.72Å; E78-D80 PolarHBondContact O-N 2.79Å |
| 81 | G | 92.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -141 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y66 | Y66-G81 WeakPolarHBondContact CD2-O 3.35Š|
| 82 | H | 93.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | trans | -72.9 | 132.9 | 175.3 | -56.4 | 161.7 | 0 | 0 | 0 | 109.9 | E48 Y58 Y66 | E48-H82 IonicContact OE2-CE1 2.73Å; E48-H82 IonicContact OE2-NE2 2.68Å; E48-H82 PolarHBondContact OE2-NE2 3.49Å; E48-H82 VanDerWaalsContact OE2-NE2 3.08Å; Y58-H82 HydrophobicContact CD1-CB 4.17Å; Y58-H82 AromaticContact CD1-CD2 3.84Å; Y58-H82 AromaticContact CD1-CG 3.98Å; Y58-H82 AromaticContact CD2-CE1 3.9Å; Y58-H82 AromaticContact CD2-NE2 3.9Å; Y58-H82 HydrophobicContact CE1-CB 3.66Å; Y58-H82 AromaticContact CE1-CG 3.83Å; Y58-H82 HydrophobicContact CE2-CB 4.47Å; Y58-H82 AromaticContact CE2-CG 3.96Å; Y58-H82 AromaticContact CE2-ND1 3.78Å; Y58-H82 AromaticContact CG-CD2 3.76Å; Y58-H82 AromaticContact CG-NE2 3.97Å; Y58-H82 AromaticContact CZ-CG 3.82Å; Y58-H82 AromaticContact CZ-ND1 3.99Å; Y66-H82 AromaticContact CE1-CD2 3.65Å; Y66-H82 AromaticContact CE1-NE2 3.6Å; Y66-H82 AromaticContact CE2-CD2 3.96Å; Y66-H82 AromaticContact CZ-CD2 3.52Å; Y66-H82 AromaticContact CZ-NE2 3.55Å; Y66-H82 PolarHBondContact OH-NE2 2.95Å | ||
| 83 | N | 94.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | trans | -143.2 | 176.6 | 171.8 | 67.6 | 34.4 | 0 | 0 | 0 | 109.5 | D85 C86 R87 | N83-D85 VanDerWaalsContact C-N 3.32Å; N83-D85 PolarHBondContact O-N 2.8Å; N83-D85 PolarHBondContact OD1-N 2.78Å; N83-D85 VanDerWaalsContact OD1-N 3.09Å; N83-C86 PolarHBondContact O-N 3.07Å; N83-C86 PolarHBondContact OD1-N 2.87Å; N83-C86 PolarHBondContact OD1-SG 2.88Å; N83-R87 WeakPolarHBondContact O-CG 3.3Å | ||
| 84 | S | 94.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -62.1 | -37 | -175.2 | 62.5 | 0 | 0 | 0 | 0 | 113.4 | C86 R87 Q104 | S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.16Å; S84-R87 PolarHBondContact O-N 3.12Å; S84-Q104 PolarHBondContact OG-OE1 2.95Å; S84-Q104 VanDerWaalsContact OG-OE1 3.1Å |
| 85 | D | 97.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -72.7 | -18.5 | -179.7 | -67.4 | -20.8 | 0 | 0 | 0 | 112.9 | A68 S69 N83 Y105 | A68-D85 CarbonylContact C-O 3.52Å; A68-D85 VanDerWaalsContact CA-O 3.26Å; A68-D85 WeakPolarHBondContact CA-O 3.45Å; A68-D85 HydrophobicContact CB-CB 4.2Å; S69-D85 PolarHBondContact N-O 2.9Å; S69-D85 VanDerWaalsContact O-CB 3.23Å; S69-D85 WeakPolarHBondContact O-CB 3.26Å; N83-D85 VanDerWaalsContact C-N 3.32Å; N83-D85 PolarHBondContact O-N 2.8Å; N83-D85 PolarHBondContact OD1-N 2.78Å; N83-D85 VanDerWaalsContact OD1-N 3.09Å; D85-Y105 WeakPolarHBondContact OD1-CE2 3.41Å; D85-Y105 PolarHBondContact OD1-OH 3.04Å |
| 86 | C | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -88 | 0.8 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 114 | Y58 L67 N83 S84 F88 | Y58-C86 HydrophobicContact CD1-CB 3.9Å; Y58-C86 VanDerWaalsContact CD1-O 3.28Å; Y58-C86 WeakPolarHBondContact CD1-O 3.48Å; Y58-C86 HydrophobicContact CE1-CB 4.32Å; L67-C86 WeakPolarHBondContact O-CA 2.98Å; N83-C86 PolarHBondContact O-N 3.07Å; N83-C86 PolarHBondContact OD1-N 2.87Å; N83-C86 PolarHBondContact OD1-SG 2.88Å; S84-C86 VanDerWaalsContact C-N 3.26Å; S84-C86 PolarHBondContact O-N 3.16Å; C86-F88 WeakPolarHBondContact O-CD2 3.29Å |
| 87 | R | 97.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | trans | -88.7 | 118.3 | -173.7 | -65.8 | 172.1 | 68.8 | 94.5 | -9.9 | 110.6 | D50 E53 V56 Y58 N83 S84 E103 | D50-R87 IonicContact OD2-NH1 3.33Å; D50-R87 PolarHBondContact OD2-NH1 2.98Å; E53-R87 IonicContact OE1-CZ 3.69Å; E53-R87 IonicContact OE1-NH2 3.04Å; E53-R87 PolarHBondContact OE1-NH2 2.98Å; E53-R87 IonicContact OE2-NH2 3.61Å; E53-R87 PolarHBondContact OE2-NH2 2.89Å; V56-R87 HydrophobicContact CG1-CB 3.77Å; V56-R87 HydrophobicContact CG1-CG 3.89Å; Y58-R87 HydrophobicContact CE1-CG 3.64Å; Y58-R87 PolarHBondContact OH-NH1 3.47Å; N83-R87 WeakPolarHBondContact O-CG 3.3Å; S84-R87 PolarHBondContact O-N 3.12Å; R87-E103 HydrophobicContact CB-CB 3.92Å; R87-E103 WeakPolarHBondContact CD-OE2 3.5Å; R87-E103 IonicContact CZ-OE1 2.85Å; R87-E103 IonicContact CZ-OE2 2.76Å; R87-E103 VanDerWaalsContact NE-CD 3.28Å; R87-E103 IonicContact NE-OE1 2.99Å; R87-E103 PolarHBondContact NE-OE1 2.89Å; R87-E103 IonicContact NE-OE2 3.93Å; R87-E103 PolarHBondContact NE-OE2 2.75Å; R87-E103 IonicContact NH2-OE1 3.32Å; R87-E103 PolarHBondContact NH2-OE1 3.32Å; R87-E103 IonicContact NH2-OE2 3.2Å; R87-E103 PolarHBondContact O-N 2.98Å | ||
| 88 | F | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 154.6 | 177.8 | -71.5 | -94.8 | 0 | 0 | 0 | 111.9 | V57 L59 L67 C86 L100 Q101 F109 | V57-F88 HydrophobicContact CG2-CB 4.37Å; V57-F88 VanDerWaalsContact CG2-O 3.3Å; V57-F88 WeakPolarHBondContact CG2-O 3.48Å; V57-F88 PolarHBondContact N-O 3.27Å; V57-F88 PolarHBondContact O-N 3.33Å; L59-F88 HydrophobicContact CD1-CB 4.19Å; L59-F88 HydrophobicContact CD1-CD2 4.48Å; L59-F88 HydrophobicContact CD1-CG 4.42Å; L67-F88 HydrophobicContact CB-CE2 4.4Å; L67-F88 HydrophobicContact CD2-CE1 4.39Å; L67-F88 HydrophobicContact CD2-CE2 4.11Å; L67-F88 HydrophobicContact CD2-CZ 4.03Å; L67-F88 HydrophobicContact CG-CE2 3.84Å; L67-F88 HydrophobicContact CG-CZ 3.9Å; L67-F88 WeakPolarHBondContact O-CE2 3.41Å; C86-F88 WeakPolarHBondContact O-CD2 3.29Å; F88-L100 HydrophobicContact CD1-CB 4.2Å; F88-Q101 CarbonylContact C-O 3.56Å; F88-Q101 VanDerWaalsContact CA-O 3.23Å; F88-Q101 WeakPolarHBondContact CA-O 3.18Å; F88-F109 HydrophobicContact CE1-CB 4.24Å |
| 89 | L | 95.8 | Very high | 93.9 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.6 | 168.3 | -54.6 | 177.2 | 0 | 0 | 0 | 108.6 | Q55 V56 Q101 E103 | Q55-L89 HydrophobicContact CB-CD2 4.29Å; Q55-L89 WeakPolarHBondContact O-CD2 3.07Å; V56-L89 HydrophobicContact CG2-CD2 4.01Å; L89-Q101 HydrophobicContact CB-CB 4.45Å; L89-Q101 PolarHBondContact N-O 2.8Å; L89-Q101 PolarHBondContact O-N 3.34Å; L89-E103 HydrophobicContact CD2-CG 4.44Å; L89-E103 HydrophobicContact CG-CB 4.28Å; L89-E103 HydrophobicContact CG-CG 4.48Å |
| 90 | I | 93.4 | Very high | 94 | Very high | 47 Ų | 47 | 44 Ų | 44 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 119.9 | 171.2 | -66.1 | 167.3 | 0 | 0 | 0 | 108.3 | L47 V57 P92 W98 L100 | L47-I90 HydrophobicContact CD1-CD1 4.05Å; L47-I90 HydrophobicContact CD2-CD1 3.7Å; V57-I90 HydrophobicContact CG2-CD1 4.03Å; V57-I90 HydrophobicContact CG2-CG1 3.93Å; I90-P92 WeakPolarHBondContact O-CD 3.19Å; I90-W98 HydrophobicContact CD1-CE3 4.12Å; I90-W98 HydrophobicContact CD1-CH2 4.35Å; I90-W98 HydrophobicContact CD1-CZ3 3.92Å; I90-W98 HydrophobicContact CG1-CE3 4.39Å; I90-W98 HydrophobicContact CG2-CB 4.21Å; I90-W98 HydrophobicContact CG2-CD2 3.82Å; I90-W98 HydrophobicContact CG2-CE3 4.15Å; I90-W98 HydrophobicContact CG2-CG 3.85Å; I90-L100 HydrophobicContact CG1-CD2 3.76Å |
| 91 | V | 92.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 40 Ų | 40 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 97.4 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | Q93 A99 Q101 F108 I123 | V91-Q93 PolarHBondContact O-NE2 3.47Å; V91-A99 HydrophobicContact CB-CB 4.28Å; V91-A99 PolarHBondContact N-O 3.39Å; V91-A99 PolarHBondContact O-N 3.16Å; V91-Q101 HydrophobicContact CG2-CB 4.43Å; V91-F108 HydrophobicContact CG2-CE1 4.15Å; V91-I123 HydrophobicContact CG1-CD1 4.44Å |
| 92 | P | 89.4 | Confident | 94.5 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 137.4 | -178.4 | 29.1 | -34.2 | 0 | 0 | 0 | 111 | I90 | I90-P92 WeakPolarHBondContact O-CD 3.19Å |
| 93 | Q | 91.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | trans | -98.4 | 161.7 | 176.8 | -56.1 | -51.6 | -61.2 | 0 | 0 | 111.8 | V91 D95 G96 R97 L128 | V91-Q93 PolarHBondContact O-NE2 3.47Å; Q93-D95 VanDerWaalsContact CB-OD1 3.32Å; Q93-D95 WeakPolarHBondContact CB-OD1 3.4Å; Q93-D95 PolarHBondContact O-N 2.73Å; Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.09Å; Q93-R97 WeakPolarHBondContact CB-O 3.18Å; Q93-R97 WeakPolarHBondContact CG-O 3.47Å; Q93-R97 PolarHBondContact N-O 2.79Å; Q93-L128 HydrophobicContact CG-CD2 3.43Å; Q93-L128 VanDerWaalsContact CG-CD2 3.43Å | ||
| 94 | S | 87.8 | Confident | 94.7 | Very high | 113 Ų | 113 | 37.5 Ų | 37.5 | 79% | 0.79 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.9 | -179.6 | 56 | 0 | 0 | 0 | 0 | 113.7 | G96 K181 | S94-G96 VanDerWaalsContact C-N 3.29Å; S94-K181 WeakPolarHBondContact O-CE 3.25Å; S94-K181 PolarHBondContact O-NZ 2.83Å |
| 95 | D | 89.8 | Confident | 94.9 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.2 | 174.9 | 68.2 | 3.8 | 0 | 0 | 0 | 113.2 | Q93 R97 K181 | Q93-D95 VanDerWaalsContact CB-OD1 3.32Å; Q93-D95 WeakPolarHBondContact CB-OD1 3.4Å; Q93-D95 PolarHBondContact O-N 2.73Å; D95-R97 WeakPolarHBondContact OD1-CB 3.35Å; D95-R97 PolarHBondContact OD1-N 2.8Å; D95-R97 IonicContact OD1-NE 3.07Å; D95-R97 IonicContact OD2-CZ 3.92Å; D95-R97 IonicContact OD2-NE 3.72Å; D95-R97 PolarHBondContact OD2-NE 2.93Å; D95-R97 IonicContact OD2-NH2 3.34Å; D95-R97 PolarHBondContact OD2-NH2 3.09Å; D95-K181 VanDerWaalsContact C-CE 3.48Å; D95-K181 WeakPolarHBondContact O-CE 3.28Å |
| 96 | G | 90.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 93.5 | -9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q93 S94 G180 | Q93-G96 PolarHBondContact O-N 2.9Å; Q93-G96 VanDerWaalsContact O-N 3.09Å; S94-G96 VanDerWaalsContact C-N 3.29Å; G96-G180 CarbonylContact C-O 3.52Å |
| 97 | R | 94.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 43 Ų | 43 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | trans | -73.9 | 162.8 | 172.3 | -65 | -176.2 | -72.2 | 170.9 | -4.2 | 111.3 | Q93 D95 D125 L128 W129 A130 | Q93-R97 WeakPolarHBondContact CB-O 3.18Å; Q93-R97 WeakPolarHBondContact CG-O 3.47Å; Q93-R97 PolarHBondContact N-O 2.79Å; D95-R97 WeakPolarHBondContact OD1-CB 3.35Å; D95-R97 PolarHBondContact OD1-N 2.8Å; D95-R97 IonicContact OD1-NE 3.07Å; D95-R97 IonicContact OD2-CZ 3.92Å; D95-R97 IonicContact OD2-NE 3.72Å; D95-R97 PolarHBondContact OD2-NE 2.93Å; D95-R97 IonicContact OD2-NH2 3.34Å; D95-R97 PolarHBondContact OD2-NH2 3.09Å; R97-D125 IonicContact CZ-OD1 3.67Å; R97-D125 IonicContact NH1-OD1 3.2Å; R97-D125 PolarHBondContact NH1-OD1 2.91Å; R97-D125 IonicContact NH2-OD1 3.7Å; R97-D125 PolarHBondContact NH2-OD1 2.83Å; R97-L128 HydrophobicContact CB-CB 4.21Å; R97-L128 HydrophobicContact CB-CD2 4.49Å; R97-L128 VanDerWaalsContact CZ-CD1 3.4Å; R97-W129 CarbonylContact C-O 3.58Å; R97-W129 WeakPolarHBondContact CA-O 3.2Å; R97-A130 HydrophobicContact CG-CB 4.29Å | ||
| 98 | W | 94.7 | Very high | 95 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.1 | 177.7 | -62.2 | -5.6 | 0 | 0 | 0 | 110.3 | F13 L15 I90 W129 M131 L212 | F13-W98 HydrophobicContact CE2-CZ3 4.43Å; L15-W98 HydrophobicContact CD2-CE3 4.2Å; L15-W98 HydrophobicContact CD2-CZ3 4.48Å; I90-W98 HydrophobicContact CD1-CE3 4.12Å; I90-W98 HydrophobicContact CD1-CH2 4.35Å; I90-W98 HydrophobicContact CD1-CZ3 3.92Å; I90-W98 HydrophobicContact CG1-CE3 4.39Å; I90-W98 HydrophobicContact CG2-CB 4.21Å; I90-W98 HydrophobicContact CG2-CD2 3.82Å; I90-W98 HydrophobicContact CG2-CE3 4.15Å; I90-W98 HydrophobicContact CG2-CG 3.85Å; W98-W129 PolarHBondContact N-O 2.96Å; W98-W129 PolarHBondContact O-N 2.73Å; W98-M131 HydrophobicContact CH2-CB 4.27Å; W98-M131 HydrophobicContact CH2-CE 4.07Å; W98-M131 HydrophobicContact CH2-CG 4.17Å; W98-M131 HydrophobicContact CH2-SD 3.23Å; W98-M131 WeakPolarHBondContact CH2-SD 3.41Å; W98-M131 HydrophobicContact CZ2-CB 4.24Å; W98-M131 HydrophobicContact CZ2-CE 3.85Å; W98-M131 HydrophobicContact CZ2-CG 4.5Å; W98-M131 HydrophobicContact CZ2-SD 3.63Å; W98-M131 HydrophobicContact CZ3-CB 4.46Å; W98-M131 HydrophobicContact CZ3-CG 4.49Å; W98-M131 HydrophobicContact CZ3-SD 4Å; W98-L212 HydrophobicContact CH2-CD1 3.82Å; W98-L212 HydrophobicContact CH2-CG 4.1Å |
| 99 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V91 F108 I123 L128 | V91-A99 HydrophobicContact CB-CB 4.28Å; V91-A99 PolarHBondContact N-O 3.39Å; V91-A99 PolarHBondContact O-N 3.16Å; A99-F108 HydrophobicContact CB-CD1 3.92Å; A99-F108 HydrophobicContact CB-CE1 4.24Å; A99-I123 HydrophobicContact CB-CD1 3.6Å; A99-I123 HydrophobicContact CB-CG1 3.92Å; A99-I123 HydrophobicContact CB-CG2 4.21Å; A99-L128 HydrophobicContact CB-CD2 4.15Å |
| 100 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.3 | 178.5 | -68.2 | 171.9 | 0 | 0 | 0 | 108.4 | L15 L59 F88 I90 F108 F109 | L15-L100 HydrophobicContact CD1-CD1 3.93Å; L59-L100 HydrophobicContact CD1-CD2 4.22Å; L59-L100 HydrophobicContact CD2-CD1 3.77Å; L59-L100 HydrophobicContact CD2-CD2 4.48Å; F88-L100 HydrophobicContact CD1-CB 4.2Å; I90-L100 HydrophobicContact CG1-CD2 3.76Å; L100-F108 CarbonylContact O-C 3.59Å; L100-F108 WeakPolarHBondContact O-CA 3.44Å; L100-F109 HydrophobicContact CB-CB 4.15Å; L100-F109 HydrophobicContact CB-CD1 4.3Å; L100-F109 HydrophobicContact CD1-CD1 3.87Å; L100-F109 HydrophobicContact CD1-CE1 4.4Å; L100-F109 PolarHBondContact O-N 2.86Å |
| 101 | Q | 98.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129.3 | 179.2 | -164 | -179.5 | 24.9 | 0 | 0 | 109.9 | F88 L89 V91 E103 L106 R107 F108 | F88-Q101 CarbonylContact C-O 3.56Å; F88-Q101 VanDerWaalsContact CA-O 3.23Å; F88-Q101 WeakPolarHBondContact CA-O 3.18Å; L89-Q101 HydrophobicContact CB-CB 4.45Å; L89-Q101 PolarHBondContact N-O 2.8Å; L89-Q101 PolarHBondContact O-N 3.34Å; V91-Q101 HydrophobicContact CG2-CB 4.43Å; Q101-E103 PolarHBondContact O-N 2.79Å; Q101-L106 PolarHBondContact NE2-O 2.92Å; Q101-L106 VanDerWaalsContact NE2-O 3.1Å; Q101-R107 CarbonylContact C-O 3.52Å; Q101-R107 VanDerWaalsContact CA-O 3.32Å; Q101-R107 WeakPolarHBondContact CA-O 3.45Å; Q101-F108 HydrophobicContact CB-CD1 3.82Å; Q101-F108 HydrophobicContact CB-CE1 3.66Å; Q101-F108 HydrophobicContact CB-CZ 4.44Å; Q101-F108 HydrophobicContact CG-CD1 4.07Å; Q101-F108 HydrophobicContact CG-CE1 3.83Å; Q101-F108 HydrophobicContact CG-CZ 4.14Å |
| 102 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 124.8 | 165.9 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | Y105 L106 R107 | S102-Y105 VanDerWaalsContact OG-CD2 3.3Å; S102-Y105 WeakPolarHBondContact OG-CD2 3.39Å; S102-Y105 PolarHBondContact OG-N 2.77Å; S102-L106 VanDerWaalsContact O-CA 3.29Å; S102-L106 WeakPolarHBondContact O-CA 3.46Å; S102-L106 PolarHBondContact O-N 3.18Å; S102-R107 PolarHBondContact N-O 2.86Å |
| 103 | E | 97.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -43.7 | -179.4 | -177 | -143.4 | -129.2 | 0 | 0 | 110.9 | V56 R87 L89 Q101 L106 | V56-E103 HydrophobicContact CG2-CG 4.38Å; V56-E103 WeakPolarHBondContact CG2-OE1 3.19Å; R87-E103 HydrophobicContact CB-CB 3.92Å; R87-E103 WeakPolarHBondContact CD-OE2 3.5Å; R87-E103 IonicContact CZ-OE1 2.85Å; R87-E103 IonicContact CZ-OE2 2.76Å; R87-E103 VanDerWaalsContact NE-CD 3.28Å; R87-E103 IonicContact NE-OE1 2.99Å; R87-E103 PolarHBondContact NE-OE1 2.89Å; R87-E103 IonicContact NE-OE2 3.93Å; R87-E103 PolarHBondContact NE-OE2 2.75Å; R87-E103 IonicContact NH2-OE1 3.32Å; R87-E103 PolarHBondContact NH2-OE1 3.32Å; R87-E103 IonicContact NH2-OE2 3.2Å; R87-E103 PolarHBondContact O-N 2.98Å; L89-E103 HydrophobicContact CD2-CG 4.44Å; L89-E103 HydrophobicContact CG-CB 4.28Å; L89-E103 HydrophobicContact CG-CG 4.48Å; Q101-E103 PolarHBondContact O-N 2.79Å; E103-L106 WeakPolarHBondContact O-CD2 3.42Å |
| 104 | Q | 95.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -42 | -176.4 | -174.7 | 173.1 | -1.8 | 0 | 0 | 113 | S84 | S84-Q104 PolarHBondContact OG-OE1 2.95Å; S84-Q104 VanDerWaalsContact OG-OE1 3.1Å |
| 105 | Y | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -7.3 | -170.6 | -53.8 | -63.3 | 0 | 0 | 0 | 113.7 | S69 D70 K71 D85 S102 R107 | S69-Y105 VanDerWaalsContact O-CE2 3.24Å; S69-Y105 WeakPolarHBondContact O-CE2 3.4Å; D70-Y105 VanDerWaalsContact C-CE2 3.45Å; K71-Y105 HydrophobicContact CB-CD1 3.9Å; K71-Y105 HydrophobicContact CB-CE1 3.49Å; K71-Y105 VanDerWaalsContact CB-CE1 3.49Å; D85-Y105 WeakPolarHBondContact OD1-CE2 3.41Å; D85-Y105 PolarHBondContact OD1-OH 3.04Å; S102-Y105 VanDerWaalsContact OG-CD2 3.3Å; S102-Y105 WeakPolarHBondContact OG-CD2 3.39Å; S102-Y105 PolarHBondContact OG-N 2.77Å; Y105-R107 WeakPolarHBondContact O-CG 3.45Å; Y105-R107 PolarHBondContact O-N 3.42Å; Y105-R107 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 97.6 | Very high | 96.9 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | trans | 56.2 | 27.1 | 179.1 | -54.1 | 177.8 | 0 | 0 | 0 | 113.7 | Q101 S102 E103 | Q101-L106 PolarHBondContact NE2-O 2.92Å; Q101-L106 VanDerWaalsContact NE2-O 3.1Å; S102-L106 VanDerWaalsContact O-CA 3.29Å; S102-L106 WeakPolarHBondContact O-CA 3.46Å; S102-L106 PolarHBondContact O-N 3.18Å; E103-L106 WeakPolarHBondContact O-CD2 3.42Å | ||
| 107 | R | 98.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | trans | -105.6 | 152.2 | 177 | -60.2 | -54.2 | -178.4 | 103.3 | 6.3 | 111.5 | Q101 S102 Y105 C118 F119 A120 | Q101-R107 CarbonylContact C-O 3.52Å; Q101-R107 VanDerWaalsContact CA-O 3.32Å; Q101-R107 WeakPolarHBondContact CA-O 3.45Å; S102-R107 PolarHBondContact N-O 2.86Å; Y105-R107 WeakPolarHBondContact O-CG 3.45Å; Y105-R107 PolarHBondContact O-N 3.42Å; Y105-R107 VanDerWaalsContact O-N 3.14Å; R107-C118 WeakPolarHBondContact CB-O 3.17Å; R107-C118 PolarHBondContact O-SG 3.15Å; R107-F119 WeakPolarHBondContact CD-O 3.45Å; R107-F119 PolarHBondContact NH1-O 3.09Å; R107-A120 CarbonylContact C-O 3.42Å; R107-A120 VanDerWaalsContact CA-O 3.3Å; R107-A120 WeakPolarHBondContact CA-O 3.39Å | ||
| 108 | F | 98.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.7 | -179.2 | -64 | -78.6 | 0 | 0 | 0 | 112 | V91 A99 L100 Q101 C118 F119 A120 I123 E127 | V91-F108 HydrophobicContact CG2-CE1 4.15Å; A99-F108 HydrophobicContact CB-CD1 3.92Å; A99-F108 HydrophobicContact CB-CE1 4.24Å; L100-F108 CarbonylContact O-C 3.59Å; L100-F108 WeakPolarHBondContact O-CA 3.44Å; Q101-F108 HydrophobicContact CB-CD1 3.82Å; Q101-F108 HydrophobicContact CB-CE1 3.66Å; Q101-F108 HydrophobicContact CB-CZ 4.44Å; Q101-F108 HydrophobicContact CG-CD1 4.07Å; Q101-F108 HydrophobicContact CG-CE1 3.83Å; Q101-F108 HydrophobicContact CG-CZ 4.14Å; F108-C118 CarbonylContact O-C 3.6Å; F108-C118 WeakPolarHBondContact O-CA 3.47Å; F108-F119 PolarHBondContact O-N 3.45Å; F108-A120 HydrophobicContact CB-CB 4.28Å; F108-A120 PolarHBondContact N-O 3.07Å; F108-I123 HydrophobicContact CD1-CD1 4.18Å; F108-I123 HydrophobicContact CD1-CG1 3.79Å; F108-I123 HydrophobicContact CD2-CG1 3.91Å; F108-I123 HydrophobicContact CE1-CD1 3.7Å; F108-I123 HydrophobicContact CE1-CG1 3.72Å; F108-I123 HydrophobicContact CE2-CD1 4.44Å; F108-I123 HydrophobicContact CE2-CG1 3.87Å; F108-I123 HydrophobicContact CG-CG1 3.88Å; F108-I123 HydrophobicContact CZ-CD1 3.86Å; F108-I123 HydrophobicContact CZ-CG1 3.77Å; F108-E127 HydrophobicContact CB-CB 4.1Å; F108-E127 HydrophobicContact CB-CG 3.73Å |
| 109 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.3 | 178.2 | 169.2 | -115.1 | 0 | 0 | 0 | 112 | L23 L67 V75 F88 L100 L116 S117 C118 W129 | L23-F109 HydrophobicContact CD1-CE1 4.28Å; L23-F109 HydrophobicContact CD1-CZ 3.79Å; L23-F109 HydrophobicContact CD2-CE1 4.02Å; L23-F109 HydrophobicContact CD2-CZ 4.28Å; L67-F109 HydrophobicContact CD1-CE2 4.41Å; L67-F109 HydrophobicContact CD1-CZ 4.27Å; L67-F109 HydrophobicContact CD2-CD1 4.17Å; L67-F109 HydrophobicContact CD2-CE1 4.11Å; V75-F109 HydrophobicContact CB-CE2 4.3Å; V75-F109 HydrophobicContact CG1-CD2 3.73Å; V75-F109 HydrophobicContact CG1-CE2 3.87Å; V75-F109 HydrophobicContact CG2-CE2 4.29Å; F88-F109 HydrophobicContact CE1-CB 4.24Å; L100-F109 HydrophobicContact CB-CB 4.15Å; L100-F109 HydrophobicContact CB-CD1 4.3Å; L100-F109 HydrophobicContact CD1-CD1 3.87Å; L100-F109 HydrophobicContact CD1-CE1 4.4Å; L100-F109 PolarHBondContact O-N 2.86Å; F109-L116 HydrophobicContact CE2-CB 4.11Å; F109-L116 HydrophobicContact CE2-CD1 4.42Å; F109-L116 HydrophobicContact CZ-CD1 4.2Å; F109-S117 WeakPolarHBondContact CA-O 3.49Å; F109-S117 WeakPolarHBondContact CD2-O 3.49Å; F109-C118 HydrophobicContact CB-CB 4Å; F109-C118 HydrophobicContact CD2-CB 4.29Å; F109-W129 AromaticContact CD1-CE2 3.99Å; F109-W129 HydrophobicContact CD1-CZ2 4.06Å; F109-W129 AromaticContact CD1-NE1 3.68Å; F109-W129 AromaticContact CE1-CE2 3.72Å; F109-W129 HydrophobicContact CE1-CH2 4.23Å; F109-W129 AromaticContact CE1-CZ2 3.46Å; F109-W129 HydrophobicContact CE1-CZ2 3.46Å; F109-W129 VanDerWaalsContact CE1-CZ2 3.46Å; F109-W129 AromaticContact CE1-NE1 3.91Å; F109-W129 HydrophobicContact CZ-CH2 4.34Å; F109-W129 AromaticContact CZ-CZ2 3.78Å; F109-W129 HydrophobicContact CZ-CZ2 3.78Å; F109-W129 PolarHBondContact O-NE1 3.38Å |
| 110 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L116 S117 A126 | G110-L116 WeakPolarHBondContact O-CA 3.47Å; G110-S117 PolarHBondContact N-O 3.19Å; G110-S117 PolarHBondContact O-N 3.5Å; G110-S117 VanDerWaalsContact O-O 3.12Å; G110-A126 CarbonylContact C-O 3.54Å; G110-A126 WeakPolarHBondContact CA-O 3.2Å |
| 111 | G | 97.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.4 | -170.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N17 A126 | N17-G111 PolarHBondContact ND2-O 3.12Å; N17-G111 VanDerWaalsContact ND2-O 3.14Å; G111-A126 PolarHBondContact N-O 3.06Å |
| 112 | S | 97.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.8 | 177.9 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | E19 D114 Y115 | E19-S112 VanDerWaalsContact CD-CB 3.44Å; E19-S112 VanDerWaalsContact OE1-CB 3.32Å; E19-S112 WeakPolarHBondContact OE1-CB 3.42Å; E19-S112 PolarHBondContact OE1-OG 2.69Å; E19-S112 VanDerWaalsContact OE1-OG 3.07Å; S112-D114 PolarHBondContact O-N 3.44Å; S112-Y115 WeakPolarHBondContact O-CA 3.42Å; S112-Y115 WeakPolarHBondContact O-CB 3.36Å; S112-Y115 PolarHBondContact O-N 2.86Å |
| 113 | R | 96 | Very high | 97.6 | Very high | 142 Ų | 142 | 65.1 Ų | 65.1 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | 52.2 | -129.5 | -179.8 | -52.1 | 177.7 | -169.5 | 174.2 | 1.8 | 110.5 | E19 N33 A34 S35 Y115 | E19-R113 IonicContact OE2-NE 2.83Å; N33-R113 CarbonylContact C-O 3.54Å; N33-R113 WeakPolarHBondContact CA-O 3.1Å; N33-R113 VanDerWaalsContact CB-O 3.29Å; N33-R113 WeakPolarHBondContact CB-O 3.39Å; A34-R113 PolarHBondContact N-O 2.79Å; A34-R113 PolarHBondContact O-N 2.83Å; S35-R113 WeakPolarHBondContact OG-CA 3.39Å; R113-Y115 VanDerWaalsContact C-N 3.29Å |
| 114 | D | 96.3 | Very high | 97.6 | Very high | 117 Ų | 117 | 66 Ų | 66 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1 | 178.8 | -55.8 | -50.8 | 0 | 0 | 0 | 113.4 | N33 S112 L116 | N33-D114 VanDerWaalsContact CB-OD1 3.24Å; N33-D114 WeakPolarHBondContact CB-OD1 3.35Å; S112-D114 PolarHBondContact O-N 3.44Å; D114-L116 PolarHBondContact O-N 2.76Å |
| 115 | Y | 96.7 | Very high | 97.6 | Very high | 185 Ų | 185 | 65.9 Ų | 65.9 | 73% | 0.725 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 53.9 | -176.8 | -54.6 | -77.4 | 0 | 0 | 0 | 111.4 | S112 R113 | S112-Y115 WeakPolarHBondContact O-CA 3.42Å; S112-Y115 WeakPolarHBondContact O-CB 3.36Å; S112-Y115 PolarHBondContact O-N 2.86Å; R113-Y115 VanDerWaalsContact C-N 3.29Å |
| 116 | L | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 138.4 | 173.6 | -61 | -178.3 | 0 | 0 | 0 | 110.4 | L23 L32 A34 V75 F109 G110 D114 W129 | L23-L116 HydrophobicContact CD1-CD1 3.61Å; L32-L116 HydrophobicContact CB-CD1 3.9Å; A34-L116 HydrophobicContact CB-CD2 4.06Å; V75-L116 HydrophobicContact CG2-CB 3.81Å; V75-L116 WeakPolarHBondContact CG2-O 3.12Å; F109-L116 HydrophobicContact CE2-CB 4.11Å; F109-L116 HydrophobicContact CE2-CD1 4.42Å; F109-L116 HydrophobicContact CZ-CD1 4.2Å; G110-L116 WeakPolarHBondContact O-CA 3.47Å; D114-L116 PolarHBondContact O-N 2.76Å; L116-W129 HydrophobicContact CD2-CH2 4.04Å; L116-W129 HydrophobicContact CD2-CZ2 4.26Å |
| 117 | S | 98.1 | Very high | 97.6 | Very high | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 162.5 | 175.4 | 69.9 | 0 | 0 | 0 | 0 | 111 | G73 F109 G110 | G73-S117 WeakPolarHBondContact O-CA 3.21Å; F109-S117 WeakPolarHBondContact CA-O 3.49Å; F109-S117 WeakPolarHBondContact CD2-O 3.49Å; G110-S117 PolarHBondContact N-O 3.19Å; G110-S117 PolarHBondContact O-N 3.5Å; G110-S117 VanDerWaalsContact O-O 3.12Å |
| 118 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 65 | 172.7 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | S69 G73 V75 R107 F108 F109 | S69-C118 VanDerWaalsContact OG-CB 3.31Å; S69-C118 WeakPolarHBondContact OG-CB 3.38Å; G73-C118 VanDerWaalsContact CA-O 3.31Å; G73-C118 WeakPolarHBondContact CA-O 3.49Å; G73-C118 PolarHBondContact O-N 3.27Å; V75-C118 HydrophobicContact CG1-CB 3.77Å; R107-C118 WeakPolarHBondContact CB-O 3.17Å; R107-C118 PolarHBondContact O-SG 3.15Å; F108-C118 CarbonylContact O-C 3.6Å; F108-C118 WeakPolarHBondContact O-CA 3.47Å; F109-C118 HydrophobicContact CB-CB 4Å; F109-C118 HydrophobicContact CD2-CB 4.29Å |
| 119 | F | 98.2 | Very high | 97.5 | Very high | 98 Ų | 98 | 57 Ų | 57 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | -5.7 | -176 | -156.5 | -113 | 0 | 0 | 0 | 114 | R107 F108 | R107-F119 WeakPolarHBondContact CD-O 3.45Å; R107-F119 PolarHBondContact NH1-O 3.09Å; F108-F119 PolarHBondContact O-N 3.45Å |
| 120 | A | 97.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 137.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R107 F108 E127 | R107-A120 CarbonylContact C-O 3.42Å; R107-A120 VanDerWaalsContact CA-O 3.3Å; R107-A120 WeakPolarHBondContact CA-O 3.39Å; F108-A120 HydrophobicContact CB-CB 4.28Å; F108-A120 PolarHBondContact N-O 3.07Å; A120-E127 HydrophobicContact CB-CG 3.76Å |
| 121 | Q | 97.3 | Very high | 97.1 | Very high | 139 Ų | 139 | 57.7 Ų | 57.7 | 65% | 0.65 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -91.7 | -20.9 | 174.7 | -65.6 | -178 | 22.7 | 0 | 0 | 112.7 | ||
| 122 | I | 97 | Very high | 96.9 | Very high | 123 Ų | 123 | 57.5 Ų | 57.5 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -123.1 | 150.9 | 178.1 | 62.5 | 171.3 | 0 | 0 | 0 | 108.7 | T124 | I122-T124 HydrophobicContact CD1-CG2 4.34Å; I122-T124 HydrophobicContact CG1-CG2 4.27Å |
| 123 | I | 98.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 57.1 Ų | 57.1 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | trans | -82.7 | 120.6 | 176.2 | -60.8 | 168.9 | 0 | 0 | 0 | 108.1 | V91 A99 F108 E127 L128 | V91-I123 HydrophobicContact CG1-CD1 4.44Å; A99-I123 HydrophobicContact CB-CD1 3.6Å; A99-I123 HydrophobicContact CB-CG1 3.92Å; A99-I123 HydrophobicContact CB-CG2 4.21Å; F108-I123 HydrophobicContact CD1-CD1 4.18Å; F108-I123 HydrophobicContact CD1-CG1 3.79Å; F108-I123 HydrophobicContact CD2-CG1 3.91Å; F108-I123 HydrophobicContact CE1-CD1 3.7Å; F108-I123 HydrophobicContact CE1-CG1 3.72Å; F108-I123 HydrophobicContact CE2-CD1 4.44Å; F108-I123 HydrophobicContact CE2-CG1 3.87Å; F108-I123 HydrophobicContact CG-CG1 3.88Å; F108-I123 HydrophobicContact CZ-CD1 3.86Å; F108-I123 HydrophobicContact CZ-CG1 3.77Å; I123-E127 HydrophobicContact CG2-CB 4.45Å; I123-L128 HydrophobicContact CG2-CD1 4.38Å; I123-L128 HydrophobicContact CG2-CD2 3.46Å; I123-L128 VanDerWaalsContact CG2-CD2 3.46Å; I123-L128 HydrophobicContact CG2-CG 3.85Å | ||
| 124 | T | 96.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | trans | -115.2 | 179.2 | 165 | 76.8 | 0 | 0 | 0 | 0 | 109.4 | I122 A126 E127 | I122-T124 HydrophobicContact CD1-CG2 4.34Å; I122-T124 HydrophobicContact CG1-CG2 4.27Å; T124-A126 PolarHBondContact O-N 2.91Å; T124-A126 VanDerWaalsContact O-N 3.1Å; T124-A126 PolarHBondContact OG1-N 2.88Å; T124-E127 WeakPolarHBondContact CB-OE2 3.42Å; T124-E127 PolarHBondContact N-OE2 2.77Å; T124-E127 PolarHBondContact O-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å | ||
| 125 | D | 96.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -56.7 | -25.8 | 174.9 | -89.9 | -24.5 | 0 | 0 | 0 | 113.2 | H18 R97 E127 L128 | H18-D125 HydrophobicContact CB-CB 4.29Å; H18-D125 WeakPolarHBondContact CB-O 3.08Å; H18-D125 PolarHBondContact ND1-O 3.18Å; R97-D125 IonicContact CZ-OD1 3.67Å; R97-D125 IonicContact NH1-OD1 3.2Å; R97-D125 PolarHBondContact NH1-OD1 2.91Å; R97-D125 IonicContact NH2-OD1 3.7Å; R97-D125 PolarHBondContact NH2-OD1 2.83Å; D125-E127 VanDerWaalsContact C-N 3.26Å; D125-E127 PolarHBondContact O-N 3.43Å; D125-L128 PolarHBondContact O-N 3.07Å |
| 126 | A | 97.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -66 | -26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G110 G111 T124 | G110-A126 CarbonylContact C-O 3.54Å; G110-A126 WeakPolarHBondContact CA-O 3.2Å; G111-A126 PolarHBondContact N-O 3.06Å; T124-A126 PolarHBondContact O-N 2.91Å; T124-A126 VanDerWaalsContact O-N 3.1Å; T124-A126 PolarHBondContact OG1-N 2.88Å |
| 127 | E | 98.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -96.4 | 1.9 | -178.5 | -70.7 | 66.2 | -124.3 | 0 | 0 | 113.1 | F108 A120 I123 T124 D125 | F108-E127 HydrophobicContact CB-CB 4.1Å; F108-E127 HydrophobicContact CB-CG 3.73Å; A120-E127 HydrophobicContact CB-CG 3.76Å; I123-E127 HydrophobicContact CG2-CB 4.45Å; T124-E127 WeakPolarHBondContact CB-OE2 3.42Å; T124-E127 PolarHBondContact N-OE2 2.77Å; T124-E127 PolarHBondContact O-N 3.13Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å; D125-E127 VanDerWaalsContact C-N 3.26Å; D125-E127 PolarHBondContact O-N 3.43Å |
| 128 | L | 97.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.1 | -177.9 | -66.3 | -178.4 | 0 | 0 | 0 | 112.1 | Q93 R97 A99 I123 D125 | Q93-L128 HydrophobicContact CG-CD2 3.43Å; Q93-L128 VanDerWaalsContact CG-CD2 3.43Å; R97-L128 HydrophobicContact CB-CB 4.21Å; R97-L128 HydrophobicContact CB-CD2 4.49Å; R97-L128 VanDerWaalsContact CZ-CD1 3.4Å; A99-L128 HydrophobicContact CB-CD2 4.15Å; I123-L128 HydrophobicContact CG2-CD1 4.38Å; I123-L128 HydrophobicContact CG2-CD2 3.46Å; I123-L128 VanDerWaalsContact CG2-CD2 3.46Å; I123-L128 HydrophobicContact CG2-CG 3.85Å; D125-L128 PolarHBondContact O-N 3.07Å |
| 129 | W | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.3 | -178.6 | -60.1 | 87.4 | 0 | 0 | 0 | 110.8 | L15 I16 N17 L23 A34 R97 W98 F109 L116 | L15-W129 HydrophobicContact CB-CB 4.29Å; L15-W129 HydrophobicContact CB-CD2 4.3Å; L15-W129 HydrophobicContact CB-CE3 3.76Å; L15-W129 HydrophobicContact CB-CZ3 4.48Å; L15-W129 HydrophobicContact CD2-CB 4.09Å; I16-W129 CarbonylContact O-C 3.45Å; I16-W129 VanDerWaalsContact O-CA 3.28Å; I16-W129 WeakPolarHBondContact O-CA 3.32Å; N17-W129 HydrophobicContact CB-CE3 4Å; N17-W129 HydrophobicContact CB-CH2 4.06Å; N17-W129 HydrophobicContact CB-CZ3 3.68Å; L23-W129 HydrophobicContact CB-CE3 4.41Å; L23-W129 HydrophobicContact CB-CH2 4.19Å; L23-W129 HydrophobicContact CB-CZ3 3.74Å; L23-W129 HydrophobicContact CD1-CH2 4.12Å; A34-W129 HydrophobicContact CB-CH2 4.08Å; A34-W129 HydrophobicContact CB-CZ3 4.3Å; R97-W129 CarbonylContact C-O 3.58Å; R97-W129 WeakPolarHBondContact CA-O 3.2Å; W98-W129 PolarHBondContact N-O 2.96Å; W98-W129 PolarHBondContact O-N 2.73Å; F109-W129 AromaticContact CD1-CE2 3.99Å; F109-W129 HydrophobicContact CD1-CZ2 4.06Å; F109-W129 AromaticContact CD1-NE1 3.68Å; F109-W129 AromaticContact CE1-CE2 3.72Å; F109-W129 HydrophobicContact CE1-CH2 4.23Å; F109-W129 AromaticContact CE1-CZ2 3.46Å; F109-W129 HydrophobicContact CE1-CZ2 3.46Å; F109-W129 VanDerWaalsContact CE1-CZ2 3.46Å; F109-W129 AromaticContact CE1-NE1 3.91Å; F109-W129 HydrophobicContact CZ-CH2 4.34Å; F109-W129 AromaticContact CZ-CZ2 3.78Å; F109-W129 HydrophobicContact CZ-CZ2 3.78Å; F109-W129 PolarHBondContact O-NE1 3.38Å; L116-W129 HydrophobicContact CD2-CH2 4.04Å; L116-W129 HydrophobicContact CD2-CZ2 4.26Å |
| 130 | A | 94.8 | Very high | 96 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 5% | 0.05 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 134.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 I16 R97 Y177 | L15-A130 WeakPolarHBondContact CA-O 3.34Å; I16-A130 HydrophobicContact CB-CB 4.39Å; I16-A130 PolarHBondContact N-O 2.94Å; I16-A130 PolarHBondContact O-N 2.83Å; R97-A130 HydrophobicContact CG-CB 4.29Å; A130-Y177 VanDerWaalsContact CB-OH 3.26Å; A130-Y177 WeakPolarHBondContact CB-OH 3.41Å |
| 131 | M | 93.3 | Very high | 96 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121 | 175.4 | -176.3 | -175 | 60.8 | 0 | 0 | 110.3 | F13 W98 L133 L210 L212 | F13-M131 HydrophobicContact CB-CG 3.69Å; F13-M131 HydrophobicContact CB-SD 4.05Å; F13-M131 HydrophobicContact CD1-SD 4.27Å; F13-M131 HydrophobicContact CD2-CG 3.92Å; F13-M131 HydrophobicContact CD2-SD 4.31Å; F13-M131 HydrophobicContact CG-CG 3.89Å; F13-M131 HydrophobicContact CG-SD 3.96Å; W98-M131 HydrophobicContact CH2-CB 4.27Å; W98-M131 HydrophobicContact CH2-CE 4.07Å; W98-M131 HydrophobicContact CH2-CG 4.17Å; W98-M131 HydrophobicContact CH2-SD 3.23Å; W98-M131 WeakPolarHBondContact CH2-SD 3.41Å; W98-M131 HydrophobicContact CZ2-CB 4.24Å; W98-M131 HydrophobicContact CZ2-CE 3.85Å; W98-M131 HydrophobicContact CZ2-CG 4.5Å; W98-M131 HydrophobicContact CZ2-SD 3.63Å; W98-M131 HydrophobicContact CZ3-CB 4.46Å; W98-M131 HydrophobicContact CZ3-CG 4.49Å; W98-M131 HydrophobicContact CZ3-SD 4Å; M131-L133 HydrophobicContact CE-CD2 4.25Å; M131-L210 HydrophobicContact CE-CB 3.42Å; M131-L210 VanDerWaalsContact CE-CB 3.42Å; M131-L210 HydrophobicContact CE-CD1 3.75Å; M131-L210 HydrophobicContact CE-CG 4.19Å; M131-L212 HydrophobicContact SD-CD1 4.12Å |
| 132 | H | 93.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.1 | 167.1 | -82.2 | -149.4 | 0 | 0 | 0 | 109.9 | F13 G14 I16 Y22 A134 Y177 Y182 S405 | F13-H132 CarbonylContact C-O 3.46Å; F13-H132 WeakPolarHBondContact CA-O 3.15Å; F13-H132 VanDerWaalsContact CB-O 3.3Å; F13-H132 WeakPolarHBondContact CB-O 3.43Å; G14-H132 PolarHBondContact N-O 2.89Å; G14-H132 PolarHBondContact O-N 2.99Å; I16-H132 HydrophobicContact CD1-CB 4.33Å; I16-H132 VanDerWaalsContact CD1-CD2 3.47Å; I16-H132 WeakPolarHBondContact CD1-CD2 3.15Å; I16-H132 WeakPolarHBondContact CD1-CE1 3.44Å; I16-H132 WeakPolarHBondContact CD1-ND1 3.45Å; I16-H132 VanDerWaalsContact CD1-NE2 3.32Å; I16-H132 WeakPolarHBondContact CD1-NE2 3.5Å; Y22-H132 HydrophobicContact CE1-CB 4.18Å; Y22-H132 PolarHBondContact OH-ND1 2.75Å; Y22-H132 VanDerWaalsContact OH-ND1 3.15Å; H132-A134 PolarHBondContact O-N 2.87Å; H132-Y177 AromaticContact CD2-CE2 3.71Å; H132-Y177 AromaticContact CD2-CZ 3.72Å; H132-Y177 AromaticContact CE1-CD1 3.99Å; H132-Y177 AromaticContact CE1-CE1 3.9Å; H132-Y177 AromaticContact NE2-CD1 3.56Å; H132-Y177 AromaticContact NE2-CD2 4Å; H132-Y177 AromaticContact NE2-CE1 3.15Å; H132-Y177 WeakPolarHBondContact NE2-CE1 3.4Å; H132-Y177 AromaticContact NE2-CE2 3.62Å; H132-Y177 AromaticContact NE2-CG 3.95Å; H132-Y177 AromaticContact NE2-CZ 3.16Å; H132-Y182 WeakPolarHBondContact CA-OH 3.4Å; H132-S405 PolarHBondContact CE1-O 3.38Å; H132-S405 PolarHBondContact ND1-O 3.06Å |
| 133 | L | 93.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 19.5 Ų | 19.5 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 135.4 | 171.2 | -62.3 | 177.8 | 0 | 0 | 0 | 110.5 | L11 M131 L175 Y182 L210 L217 L252 | L11-L133 HydrophobicContact CD1-CD2 4.18Å; L11-L133 HydrophobicContact CD2-CD2 3.79Å; L11-L133 HydrophobicContact CG-CD2 4.24Å; M131-L133 HydrophobicContact CE-CD2 4.25Å; L133-L175 HydrophobicContact CD1-CD2 3.54Å; L133-Y182 HydrophobicContact CD1-CE1 4.42Å; L133-Y182 PolarHBondContact N-OH 3.01Å; L133-L210 HydrophobicContact CD1-CD1 3.88Å; L133-L210 HydrophobicContact CD2-CD1 4.16Å; L133-L210 HydrophobicContact CG-CD1 4.05Å; L133-L217 HydrophobicContact CD2-CD2 4.41Å; L133-L252 HydrophobicContact CD1-CD2 3.87Å |
| 134 | A | 92.6 | Very high | 96 | Very high | 10 Ų | 10 | 18.6 Ų | 18.6 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -79.3 | -25.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q12 L39 I44 H132 R385 | Q12-A134 HydrophobicContact CB-CB 3.68Å; Q12-A134 VanDerWaalsContact O-CB 3.31Å; Q12-A134 WeakPolarHBondContact O-CB 3.35Å; Q12-A134 PolarHBondContact O-N 2.91Å; L39-A134 HydrophobicContact CD2-CB 4.07Å; I44-A134 HydrophobicContact CG1-CB 4.41Å; H132-A134 PolarHBondContact O-N 2.87Å; A134-R385 PolarHBondContact O-NH1 2.81Å; A134-R385 PolarHBondContact O-NH2 3.34Å |
| 135 | L | 92 | Very high | 96 | Very high | 45 Ų | 45 | 16.8 Ų | 16.8 | 24% | 0.236 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -59.5 | 144.9 | 171.1 | -168.7 | 74.9 | 0 | 0 | 0 | 110.1 | A139 L252 E254 | L135-A139 HydrophobicContact CD2-CB 3.96Å; L135-L252 HydrophobicContact CD2-CB 4.09Å; L135-L252 HydrophobicContact CD2-CD2 3.46Å; L135-L252 VanDerWaalsContact CD2-CD2 3.46Å; L135-L252 HydrophobicContact CD2-CG 3.45Å; L135-L252 VanDerWaalsContact CD2-CG 3.45Å; L135-E254 HydrophobicContact CD1-CB 4.47Å |
| 136 | H | 95 | Very high | 96.1 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 3% | 0.032 | 9% | 0.09 | C | C | . | . | trans | -54 | 141.5 | 170.8 | -165 | -106.4 | 0 | 0 | 0 | 110.9 | Q138 I383 E489 F490 | H136-Q138 PolarHBondContact ND1-N 3.23Å; H136-Q138 PolarHBondContact O-N 3.3Å; H136-I383 PolarHBondContact CE1-O 2.81Å; H136-I383 PolarHBondContact NE2-O 2.85Å; H136-E489 HydrophobicContact CB-CG 4.23Å; H136-F490 PolarHBondContact CE1-OXT 3.48Å; H136-F490 VanDerWaalsContact ND1-C 3.3Å; H136-F490 PolarHBondContact ND1-OXT 2.91Å; H136-F490 VanDerWaalsContact ND1-OXT 3.17Å | ||
| 137 | P | 95.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 6% | 0.058 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -66.7 | -17.6 | -174.8 | -20.5 | 32.5 | 0 | 0 | 0 | 114.6 | T174 L175 I383 F390 Y407 | P137-T174 WeakPolarHBondContact O-CA 3.44Å; P137-L175 WeakPolarHBondContact CB-O 3.46Å; P137-L175 WeakPolarHBondContact O-CD1 3.25Å; P137-L175 PolarHBondContact O-N 3.28Å; P137-I383 HydrophobicContact CB-CD1 3.98Å; P137-I383 HydrophobicContact CG-CD1 4.36Å; P137-I383 HydrophobicContact CG-CG2 4.41Å; P137-F390 HydrophobicContact CG-CE1 4.02Å; P137-F390 HydrophobicContact CG-CZ 4.09Å; P137-Y407 HydrophobicContact CB-CE1 4.13Å; P137-Y407 HydrophobicContact CB-CE2 3.95Å; P137-Y407 HydrophobicContact CG-CD1 3.67Å; P137-Y407 HydrophobicContact CG-CD2 4.23Å; P137-Y407 HydrophobicContact CG-CE1 3.37Å; P137-Y407 HydrophobicContact CG-CE2 3.95Å; P137-Y407 HydrophobicContact CG-CG 4.09Å |
| 138 | Q | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109.4 | 176.2 | -59.6 | -166.5 | -90.2 | 0 | 0 | 109.8 | H136 L172 T174 M381 I383 F490 | H136-Q138 PolarHBondContact ND1-N 3.23Å; H136-Q138 PolarHBondContact O-N 3.3Å; Q138-L172 HydrophobicContact CB-CD1 4.03Å; Q138-T174 HydrophobicContact CG-CG2 4.36Å; Q138-M381 PolarHBondContact NE2-O 3.29Å; Q138-I383 HydrophobicContact CG-CB 4.39Å; Q138-I383 HydrophobicContact CG-CD1 3.95Å; Q138-I383 HydrophobicContact CG-CG1 4.32Å; Q138-I383 VanDerWaalsContact OE1-N 3.13Å; Q138-F490 PolarHBondContact OE1-OXT 2.68Å |
| 139 | A | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 169.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L135 L173 L175 L252 E253 | L135-A139 HydrophobicContact CD2-CB 3.96Å; A139-L173 PolarHBondContact N-O 3.29Å; A139-L173 PolarHBondContact O-N 2.82Å; A139-L173 VanDerWaalsContact O-O 3.11Å; A139-L175 HydrophobicContact CB-CD1 4.22Å; A139-L252 HydrophobicContact CB-CD1 3.57Å; A139-L252 HydrophobicContact CB-CD2 4.23Å; A139-L252 HydrophobicContact CB-CG 3.71Å; A139-E253 CarbonylContact C-O 3.49Å; A139-E253 VanDerWaalsContact CA-O 3.3Å; A139-E253 WeakPolarHBondContact CA-O 3.29Å; A139-E253 VanDerWaalsContact CB-O 3.25Å; A139-E253 WeakPolarHBondContact CB-O 3.15Å |
| 140 | N | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 138.9 | 170.4 | -56.6 | 124.9 | 0 | 0 | 0 | 109.8 | Y149 P166 A171 E253 S255 | N140-Y149 HydrophobicContact CB-CD1 4.13Å; N140-Y149 HydrophobicContact CB-CE1 4.39Å; N140-P166 HydrophobicContact CB-CB 3.68Å; N140-P166 HydrophobicContact CB-CG 4.21Å; N140-P166 WeakPolarHBondContact ND2-CB 3.29Å; N140-A171 PolarHBondContact ND2-O 3.46Å; N140-E253 PolarHBondContact N-O 3.22Å; N140-E253 PolarHBondContact O-N 3.31Å; N140-S255 WeakPolarHBondContact OD1-CA 3.48Å |
| 141 | L | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.7 | -177 | -172.5 | 74.8 | 0 | 0 | 0 | 110.1 | Y149 A150 L173 F219 L236 F250 L252 | L141-Y149 CarbonylContact O-C 3.52Å; L141-Y149 WeakPolarHBondContact O-CA 3.3Å; L141-A150 HydrophobicContact CB-CB 4.02Å; L141-A150 HydrophobicContact CD2-CB 4.22Å; L141-A150 PolarHBondContact O-N 3.05Å; L141-L173 HydrophobicContact CB-CD1 3.75Å; L141-L173 HydrophobicContact CD2-CD1 4.08Å; L141-F219 HydrophobicContact CD1-CE2 3.85Å; L141-F219 HydrophobicContact CD1-CZ 3.9Å; L141-F219 HydrophobicContact CD2-CE2 4.44Å; L141-L236 HydrophobicContact CD2-CD2 4.01Å; L141-F250 HydrophobicContact CD1-CB 3.55Å; L141-F250 HydrophobicContact CD1-CD1 4.23Å; L141-F250 HydrophobicContact CD1-CG 4.04Å; L141-F250 HydrophobicContact CD2-CD1 3.91Å; L141-F250 HydrophobicContact CD2-CE1 4.32Å; L141-F250 HydrophobicContact CD2-CG 4.33Å; L141-F250 HydrophobicContact CG-CB 4.08Å; L141-F250 HydrophobicContact CG-CD1 3.84Å; L141-F250 HydrophobicContact CG-CG 4.17Å; L141-L252 HydrophobicContact CD1-CD1 3.99Å |
| 142 | L | 98.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 27.1 Ų | 27.1 | 14% | 0.136 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.3 | -179.2 | 172.4 | 64.6 | 0 | 0 | 0 | 109.9 | V144 Y149 F250 D251 | L142-V144 PolarHBondContact O-N 2.65Å; L142-Y149 HydrophobicContact CB-CD1 4.01Å; L142-Y149 HydrophobicContact CB-CE1 3.81Å; L142-Y149 HydrophobicContact CD1-CD1 4.37Å; L142-Y149 HydrophobicContact CD1-CD2 4.15Å; L142-Y149 HydrophobicContact CD1-CE1 4.23Å; L142-Y149 HydrophobicContact CD1-CE2 3.97Å; L142-Y149 HydrophobicContact CD1-CG 4.35Å; L142-Y149 HydrophobicContact CG-CE1 4.41Å; L142-F250 CarbonylContact O-C 3.59Å; L142-F250 VanDerWaalsContact O-CA 3.24Å; L142-F250 WeakPolarHBondContact O-CA 3.25Å; L142-D251 HydrophobicContact CB-CB 4.09Å; L142-D251 HydrophobicContact CD2-CB 4.34Å; L142-D251 PolarHBondContact N-O 3.5Å; L142-D251 PolarHBondContact O-N 3.21Å |
| 143 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.8 | 170.8 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | A145 R146 K147 R148 | S143-A145 VanDerWaalsContact C-N 3.35Å; S143-A145 PolarHBondContact OG-N 3.5Å; S143-R146 PolarHBondContact OG-N 2.93Å; S143-R146 VanDerWaalsContact OG-N 3.15Å; S143-K147 VanDerWaalsContact O-CA 3.29Å; S143-K147 WeakPolarHBondContact O-CA 3.46Å; S143-K147 PolarHBondContact O-N 2.92Å; S143-R148 PolarHBondContact N-O 3.28Å |
| 144 | V | 96.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 31 Ų | 31 | 22% | 0.218 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -39.7 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L142 K216 K246 L249 | L142-V144 PolarHBondContact O-N 2.65Å; V144-K216 HydrophobicContact CG2-CD 3.91Å; V144-K216 HydrophobicContact CG2-CG 4.13Å; V144-K246 HydrophobicContact CG1-CG 4.3Å; V144-L249 HydrophobicContact CB-CB 4.1Å; V144-L249 WeakPolarHBondContact CB-O 3.42Å; V144-L249 HydrophobicContact CG2-CB 3.94Å; V144-L249 WeakPolarHBondContact CG2-O 3.22Å; V144-L249 PolarHBondContact N-O 3.36Å |
| 145 | A | 96.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -49.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | S143 K246 D247 | S143-A145 VanDerWaalsContact C-N 3.35Å; S143-A145 PolarHBondContact OG-N 3.5Å; A145-K246 HydrophobicContact CB-CG 4.37Å; A145-D247 HydrophobicContact CB-CB 4.41Å; A145-D247 WeakPolarHBondContact CB-OD1 3.49Å |
| 146 | R | 97.2 | Very high | 96.6 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -25 | -176.7 | -66.5 | -163.3 | 166.2 | -141.5 | -5 | 114 | S143 R148 V161 P229 G231 P232 | S143-R146 PolarHBondContact OG-N 2.93Å; S143-R146 VanDerWaalsContact OG-N 3.15Å; R146-R148 HydrophobicContact CB-CB 4.03Å; R146-R148 HydrophobicContact CB-CG 4.18Å; R146-R148 PolarHBondContact O-N 2.94Å; R146-V161 WeakPolarHBondContact CD-O 3.42Å; R146-P229 HydrophobicContact CG-CB 4.24Å; R146-P229 HydrophobicContact CG-CG 4.44Å; R146-P229 VanDerWaalsContact NE-CB 3.3Å; R146-G231 PolarHBondContact NH2-O 3.1Å; R146-P232 PolarHBondContact NH1-O 3.32Å |
| 147 | K | 97.5 | Very high | 96.6 | Very high | 153 Ų | 153 | 42.9 Ų | 42.9 | 67% | 0.665 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 45.2 | -167.8 | -51.8 | 178.2 | -179.6 | -179.1 | 0 | 110.6 | S143 | S143-K147 VanDerWaalsContact O-CA 3.29Å; S143-K147 WeakPolarHBondContact O-CA 3.46Å; S143-K147 PolarHBondContact O-N 2.92Å |
| 148 | R | 98.1 | Very high | 96.7 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.1 | -178.9 | -67.2 | -59.6 | -174.5 | -87.2 | 2.4 | 110.3 | S143 R146 V161 D162 R163 N164 | S143-R148 PolarHBondContact N-O 3.28Å; R146-R148 HydrophobicContact CB-CB 4.03Å; R146-R148 HydrophobicContact CB-CG 4.18Å; R146-R148 PolarHBondContact O-N 2.94Å; R148-V161 HydrophobicContact CB-CG1 4.41Å; R148-V161 WeakPolarHBondContact CB-O 3.4Å; R148-V161 WeakPolarHBondContact O-CG1 3.17Å; R148-D162 VanDerWaalsContact CD-O 3.25Å; R148-D162 WeakPolarHBondContact CD-O 3.46Å; R148-R163 CarbonylContact C-O 3.56Å; R148-R163 WeakPolarHBondContact CA-O 3.4Å; R148-R163 WeakPolarHBondContact CD-O 3.33Å; R148-N164 PolarHBondContact NE-OD1 2.98Å; R148-N164 PolarHBondContact NH2-OD1 3.43Å |
| 149 | Y | 98.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 13% | 0.129 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143 | -179.4 | -67.6 | -89.9 | 0 | 0 | 0 | 110.7 | N140 L141 L142 R163 P166 E253 | N140-Y149 HydrophobicContact CB-CD1 4.13Å; N140-Y149 HydrophobicContact CB-CE1 4.39Å; L141-Y149 CarbonylContact O-C 3.52Å; L141-Y149 WeakPolarHBondContact O-CA 3.3Å; L142-Y149 HydrophobicContact CB-CD1 4.01Å; L142-Y149 HydrophobicContact CB-CE1 3.81Å; L142-Y149 HydrophobicContact CD1-CD1 4.37Å; L142-Y149 HydrophobicContact CD1-CD2 4.15Å; L142-Y149 HydrophobicContact CD1-CE1 4.23Å; L142-Y149 HydrophobicContact CD1-CE2 3.97Å; L142-Y149 HydrophobicContact CD1-CG 4.35Å; L142-Y149 HydrophobicContact CG-CE1 4.41Å; Y149-R163 PolarHBondContact N-O 3.31Å; Y149-R163 PolarHBondContact O-N 2.73Å; Y149-P166 HydrophobicContact CD1-CB 3.82Å; Y149-P166 HydrophobicContact CD1-CG 4.02Å; Y149-P166 HydrophobicContact CE1-CB 4.2Å; Y149-P166 HydrophobicContact CE1-CG 3.89Å; Y149-P166 HydrophobicContact CG-CB 4.04Å; Y149-P166 HydrophobicContact CG-CG 4.36Å; Y149-E253 PolarHBondContact OH-OE2 3Å |
| 150 | A | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 141.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L141 I159 A160 V161 L173 | L141-A150 HydrophobicContact CB-CB 4.02Å; L141-A150 HydrophobicContact CD2-CB 4.22Å; L141-A150 PolarHBondContact O-N 3.05Å; A150-I159 HydrophobicContact CB-CG2 3.81Å; A150-A160 CarbonylContact C-O 3.59Å; A150-A160 VanDerWaalsContact CA-O 3.23Å; A150-A160 WeakPolarHBondContact CA-O 3.41Å; A150-V161 HydrophobicContact CB-CG2 4.04Å; A150-L173 HydrophobicContact CB-CD1 3.9Å |
| 151 | H | 98.6 | Very high | 96.9 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.8 | 169.4 | 71.2 | 98.7 | 0 | 0 | 0 | 110.6 | S153 I159 A160 D162 R163 E170 A171 | H151-S153 PolarHBondContact O-N 3.01Å; H151-I159 CarbonylContact O-C 3.53Å; H151-I159 WeakPolarHBondContact O-CA 3.38Å; H151-A160 PolarHBondContact N-O 2.83Å; H151-A160 PolarHBondContact O-N 2.85Å; H151-D162 IonicContact CD2-OD1 2.73Å; H151-D162 IonicContact NE2-OD1 3.88Å; H151-D162 PolarHBondContact NE2-OD1 2.69Å; H151-R163 PolarHBondContact ND1-NH2 2.71Å; H151-E170 CarbonylContact C-O 3.5Å; H151-E170 VanDerWaalsContact CA-O 3.23Å; H151-E170 WeakPolarHBondContact CA-O 3.32Å; H151-E170 HydrophobicContact CB-CB 4.35Å; H151-E170 WeakPolarHBondContact CB-O 3.36Å; H151-A171 HydrophobicContact CB-CB 4.5Å |
| 152 | L | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 122.5 | 167.7 | 176.2 | 62.7 | 0 | 0 | 0 | 109.6 | E170 T186 D188 L198 | L152-E170 HydrophobicContact CB-CB 4.22Å; L152-E170 PolarHBondContact N-O 2.83Å; L152-T186 HydrophobicContact CB-CG2 4.36Å; L152-T186 HydrophobicContact CD1-CG2 4.2Å; L152-D188 HydrophobicContact CD2-CB 4.11Å; L152-L198 HydrophobicContact CD1-CD1 3.34Å |
| 153 | S | 97.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 105.3 | 161 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | H151 E155 D156 G157 E158 | H151-S153 PolarHBondContact O-N 3.01Å; S153-E155 VanDerWaalsContact C-N 3.32Å; S153-D156 PolarHBondContact OG-N 2.83Å; S153-D156 PolarHBondContact OG-OD2 3.27Å; S153-G157 WeakPolarHBondContact O-CA 3.48Å; S153-G157 PolarHBondContact O-N 3.17Å; S153-E158 PolarHBondContact N-O 3.03Å; S153-E158 PolarHBondContact O-N 3.2Å |
| 154 | T | 91.5 | Very high | 96.6 | Very high | 89 Ų | 89 | 53 Ų | 53 | 55% | 0.546 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | E170 | T154-E170 PolarHBondContact OG1-OE1 2.86Š|
| 155 | E | 91.6 | Very high | 96.5 | Very high | 188 Ų | 188 | 53.4 Ų | 53.4 | 88% | 0.879 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -44.6 | -178.9 | -63.2 | -176.8 | 176.6 | 0 | 0 | 112 | S153 | S153-E155 VanDerWaalsContact C-N 3.32Š|
| 156 | D | 92.2 | Very high | 96.5 | Very high | 103 Ų | 103 | 52.8 Ų | 52.8 | 55% | 0.551 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15 | -177 | -58.5 | -57.7 | 0 | 0 | 0 | 113.2 | S153 E158 | S153-D156 PolarHBondContact OG-N 2.83Å; S153-D156 PolarHBondContact OG-OD2 3.27Å; D156-E158 HydrophobicContact CB-CG 3.89Å |
| 157 | G | 94.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 32.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S153 | S153-G157 WeakPolarHBondContact O-CA 3.48Å; S153-G157 PolarHBondContact O-N 3.17Å |
| 158 | E | 97.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 172.5 | -178.2 | 70 | 178.2 | -153.5 | 0 | 0 | 112.4 | S153 D156 T233 T235 | S153-E158 PolarHBondContact N-O 3.03Å; S153-E158 PolarHBondContact O-N 3.2Å; D156-E158 HydrophobicContact CB-CG 3.89Å; E158-T233 PolarHBondContact OE1-OG1 2.76Å; E158-T235 HydrophobicContact CB-CG2 4.26Å; E158-T235 PolarHBondContact OE1-OG1 3.06Å; E158-T235 WeakPolarHBondContact OE2-CB 3.28Å; E158-T235 WeakPolarHBondContact OE2-CG2 3.39Å; E158-T235 PolarHBondContact OE2-OG1 3.08Å |
| 159 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 108.5 | 162 | -60.8 | -177.7 | 0 | 0 | 0 | 108 | A150 H151 L173 T186 L192 L198 L236 | A150-I159 HydrophobicContact CB-CG2 3.81Å; H151-I159 CarbonylContact O-C 3.53Å; H151-I159 WeakPolarHBondContact O-CA 3.38Å; I159-L173 HydrophobicContact CD1-CD2 4.06Å; I159-T186 HydrophobicContact CD1-CG2 3.66Å; I159-T186 HydrophobicContact CG1-CG2 3.73Å; I159-L192 HydrophobicContact CB-CD1 4.42Å; I159-L192 HydrophobicContact CD1-CB 3.95Å; I159-L192 HydrophobicContact CD1-CD1 4.03Å; I159-L192 HydrophobicContact CD1-CD2 4.19Å; I159-L192 HydrophobicContact CD1-CG 4.27Å; I159-L192 HydrophobicContact CG1-CD1 4.18Å; I159-L198 HydrophobicContact CD1-CD2 4.27Å; I159-L198 HydrophobicContact CG1-CD2 4.03Å; I159-L236 HydrophobicContact CB-CB 4.13Å; I159-L236 HydrophobicContact CG2-CB 4.08Å; I159-L236 HydrophobicContact CG2-CD2 4.02Å; I159-L236 PolarHBondContact O-N 3.41Å |
| 160 | A | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 152 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A150 H151 | A150-A160 CarbonylContact C-O 3.59Å; A150-A160 VanDerWaalsContact CA-O 3.23Å; A150-A160 WeakPolarHBondContact CA-O 3.41Å; H151-A160 PolarHBondContact N-O 2.83Å; H151-A160 PolarHBondContact O-N 2.85Å |
| 161 | V | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 62.3 | -178.6 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | R146 R148 A150 P229 T233 G234 L236 | R146-V161 WeakPolarHBondContact CD-O 3.42Å; R148-V161 HydrophobicContact CB-CG1 4.41Å; R148-V161 WeakPolarHBondContact CB-O 3.4Å; R148-V161 WeakPolarHBondContact O-CG1 3.17Å; A150-V161 HydrophobicContact CB-CG2 4.04Å; V161-P229 HydrophobicContact CB-CB 3.99Å; V161-P229 HydrophobicContact CB-CG 4.01Å; V161-P229 HydrophobicContact CG1-CB 4.42Å; V161-P229 HydrophobicContact CG1-CG 3.98Å; V161-P229 HydrophobicContact CG2-CB 4.25Å; V161-P229 HydrophobicContact CG2-CG 4.09Å; V161-T233 CarbonylContact C-O 3.51Å; V161-T233 PolarHBondContact N-O 2.72Å; V161-G234 WeakPolarHBondContact CG2-O 3.15Å; V161-G234 PolarHBondContact N-O 3.41Å; V161-L236 HydrophobicContact CG2-CB 4Å; V161-L236 HydrophobicContact CG2-CD1 4.37Å |
| 162 | D | 97.6 | Very high | 96 | Very high | 63 Ų | 63 | 41 Ų | 41 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | -0.8 | -177.7 | 61.1 | 9.7 | 0 | 0 | 0 | 113.6 | R148 H151 | R148-D162 VanDerWaalsContact CD-O 3.25Å; R148-D162 WeakPolarHBondContact CD-O 3.46Å; H151-D162 IonicContact CD2-OD1 2.73Å; H151-D162 IonicContact NE2-OD1 3.88Å; H151-D162 PolarHBondContact NE2-OD1 2.69Å |
| 163 | R | 95.6 | Very high | 96 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 133.1 | -177.7 | -156 | 172 | -91 | -162.9 | -5.9 | 111.7 | R148 Y149 H151 I165 W167 E170 | R148-R163 CarbonylContact C-O 3.56Å; R148-R163 WeakPolarHBondContact CA-O 3.4Å; R148-R163 WeakPolarHBondContact CD-O 3.33Å; Y149-R163 PolarHBondContact N-O 3.31Å; Y149-R163 PolarHBondContact O-N 2.73Å; H151-R163 PolarHBondContact ND1-NH2 2.71Å; R163-I165 VanDerWaalsContact CD-O 3.3Å; R163-I165 WeakPolarHBondContact CD-O 3.36Å; R163-I165 WeakPolarHBondContact CG-O 3.29Å; R163-W167 PolarHBondContact NH1-O 2.72Å; R163-E170 IonicContact CZ-OE2 3.08Å; R163-E170 IonicContact NH1-OE2 2.63Å; R163-E170 PolarHBondContact NH1-OE2 3.36Å; R163-E170 IonicContact NH2-OE2 2.76Å; R163-E170 PolarHBondContact NH2-OE2 3.2Å |
| 164 | N | 94.6 | Very high | 96 | Very high | 109 Ų | 109 | 40.1 Ų | 40.1 | 58% | 0.583 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -72.1 | -34.1 | -177.1 | -69.5 | -49.8 | 0 | 0 | 0 | 113.1 | R148 | R148-N164 PolarHBondContact NE-OD1 2.98Å; R148-N164 PolarHBondContact NH2-OD1 3.43Å |
| 165 | I | 94.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 36 Ų | 36 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -138.7 | 151.8 | 179.9 | 57.5 | 160.3 | 0 | 0 | 0 | 109.3 | R163 W167 S306 | R163-I165 VanDerWaalsContact CD-O 3.3Å; R163-I165 WeakPolarHBondContact CD-O 3.36Å; R163-I165 WeakPolarHBondContact CG-O 3.29Å; I165-W167 HydrophobicContact CD1-CB 4.01Å; I165-W167 HydrophobicContact CD1-CD2 4.04Å; I165-W167 HydrophobicContact CD1-CE3 3.66Å; I165-W167 HydrophobicContact CD1-CG 4.22Å; I165-W167 HydrophobicContact CD1-CZ3 4.38Å; I165-W167 HydrophobicContact CG1-CB 4.16Å; I165-W167 PolarHBondContact O-N 3.11Å; I165-S306 WeakPolarHBondContact CD1-O 3.3Å |
| 166 | P | 95.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 28 Ų | 28 | 10% | 0.104 | 15% | 0.154 | C | C | . | . | trans | -81.4 | 69.1 | -177.9 | 32.6 | -33.3 | 0 | 0 | 0 | 111.4 | N140 Y149 A171 Q258 | N140-P166 HydrophobicContact CB-CB 3.68Å; N140-P166 HydrophobicContact CB-CG 4.21Å; N140-P166 WeakPolarHBondContact ND2-CB 3.29Å; Y149-P166 HydrophobicContact CD1-CB 3.82Å; Y149-P166 HydrophobicContact CD1-CG 4.02Å; Y149-P166 HydrophobicContact CE1-CB 4.2Å; Y149-P166 HydrophobicContact CE1-CG 3.89Å; Y149-P166 HydrophobicContact CG-CB 4.04Å; Y149-P166 HydrophobicContact CG-CG 4.36Å; P166-A171 VanDerWaalsContact C-CB 3.47Å; P166-A171 HydrophobicContact CB-CB 4.04Å; P166-Q258 PolarHBondContact O-NE2 2.6Å | ||
| 167 | W | 95.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 25.3 Ų | 25.3 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | trans | -96.8 | 151.8 | -177.3 | -146.4 | -105 | 0 | 0 | 0 | 112.8 | R163 I165 A171 T289 Q291 R304 T305 | R163-W167 PolarHBondContact NH1-O 2.72Å; I165-W167 HydrophobicContact CD1-CB 4.01Å; I165-W167 HydrophobicContact CD1-CD2 4.04Å; I165-W167 HydrophobicContact CD1-CE3 3.66Å; I165-W167 HydrophobicContact CD1-CG 4.22Å; I165-W167 HydrophobicContact CD1-CZ3 4.38Å; I165-W167 HydrophobicContact CG1-CB 4.16Å; I165-W167 PolarHBondContact O-N 3.11Å; W167-A171 WeakPolarHBondContact O-CB 3.47Å; W167-T289 HydrophobicContact CZ2-CG2 4.07Å; W167-T289 VanDerWaalsContact CZ2-O 3.3Å; W167-T289 WeakPolarHBondContact CZ2-O 3.35Å; W167-Q291 HydrophobicContact CH2-CB 3.53Å; W167-Q291 HydrophobicContact CZ3-CB 3.6Å; W167-R304 WeakPolarHBondContact CH2-O 3.4Å; W167-T305 WeakPolarHBondContact CH2-O 3.18Å | ||
| 168 | G | 94.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 72.6 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | E170 A171 | G168-E170 PolarHBondContact O-N 3.08Å; G168-A171 PolarHBondContact O-N 2.85Å |
| 169 | V | 95.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 32.8 Ų | 32.8 | 30% | 0.297 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -64.2 | -30.1 | 178.6 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | A171 L172 C187 P380 | V169-A171 PolarHBondContact O-N 2.84Å; V169-L172 WeakPolarHBondContact O-CB 3.27Å; V169-L172 PolarHBondContact O-N 2.9Å; V169-L172 VanDerWaalsContact O-N 3.11Å; V169-C187 HydrophobicContact CG2-CB 3.76Å; V169-C187 WeakPolarHBondContact O-CB 3.33Å; V169-P380 HydrophobicContact CG2-CG 3.61Å |
| 170 | E | 96.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 27% | 0.271 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -65.6 | -24.8 | -179.2 | -62.5 | 172.1 | 153.7 | 0 | 0 | 113.6 | H151 L152 T154 R163 G168 L172 | H151-E170 CarbonylContact C-O 3.5Å; H151-E170 VanDerWaalsContact CA-O 3.23Å; H151-E170 WeakPolarHBondContact CA-O 3.32Å; H151-E170 HydrophobicContact CB-CB 4.35Å; H151-E170 WeakPolarHBondContact CB-O 3.36Å; L152-E170 HydrophobicContact CB-CB 4.22Å; L152-E170 PolarHBondContact N-O 2.83Å; T154-E170 PolarHBondContact OG1-OE1 2.86Å; R163-E170 IonicContact CZ-OE2 3.08Å; R163-E170 IonicContact NH1-OE2 2.63Å; R163-E170 PolarHBondContact NH1-OE2 3.36Å; R163-E170 IonicContact NH2-OE2 2.76Å; R163-E170 PolarHBondContact NH2-OE2 3.2Å; G168-E170 PolarHBondContact O-N 3.08Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 2.91Å |
| 171 | A | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -78.6 | -9.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N140 H151 P166 W167 G168 V169 L173 | N140-A171 PolarHBondContact ND2-O 3.46Å; H151-A171 HydrophobicContact CB-CB 4.5Å; P166-A171 VanDerWaalsContact C-CB 3.47Å; P166-A171 HydrophobicContact CB-CB 4.04Å; W167-A171 WeakPolarHBondContact O-CB 3.47Å; G168-A171 PolarHBondContact O-N 2.85Å; V169-A171 PolarHBondContact O-N 2.84Å; A171-L173 PolarHBondContact O-N 3.18Å |
| 172 | L | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -75.9 | 118.1 | 177.5 | -175.4 | 72.7 | 0 | 0 | 0 | 110.2 | Q138 V169 E170 N378 | Q138-L172 HydrophobicContact CB-CD1 4.03Å; V169-L172 WeakPolarHBondContact O-CB 3.27Å; V169-L172 PolarHBondContact O-N 2.9Å; V169-L172 VanDerWaalsContact O-N 3.11Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 2.91Å; L172-N378 WeakPolarHBondContact CD2-O 3.23Å | ||
| 173 | L | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.7 | 165.1 | -62.8 | -176.7 | 0 | 0 | 0 | 109.7 | A139 L141 A150 I159 A171 T186 | A139-L173 PolarHBondContact N-O 3.29Å; A139-L173 PolarHBondContact O-N 2.82Å; A139-L173 VanDerWaalsContact O-O 3.11Å; L141-L173 HydrophobicContact CB-CD1 3.75Å; L141-L173 HydrophobicContact CD2-CD1 4.08Å; A150-L173 HydrophobicContact CB-CD1 3.9Å; I159-L173 HydrophobicContact CD1-CD2 4.06Å; A171-L173 PolarHBondContact O-N 3.18Å; L173-T186 HydrophobicContact CD2-CG2 4.11Å |
| 174 | T | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.2 | 173.3 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | P137 Q138 V176 K185 M381 I383 I409 | P137-T174 WeakPolarHBondContact O-CA 3.44Å; Q138-T174 HydrophobicContact CG-CG2 4.36Å; T174-V176 HydrophobicContact CG2-CG2 4.16Å; T174-V176 PolarHBondContact O-N 2.98Å; T174-K185 PolarHBondContact N-O 2.93Å; T174-K185 WeakPolarHBondContact O-CB 3.45Å; T174-K185 PolarHBondContact O-N 3.28Å; T174-M381 WeakPolarHBondContact OG1-CE 3.24Å; T174-I383 HydrophobicContact CG2-CD1 3.59Å; T174-I409 HydrophobicContact CG2-CD1 4.09Å |
| 175 | L | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 115 | 174.4 | -75.4 | 81.3 | 0 | 0 | 0 | 107.6 | L133 P137 A139 Y182 C183 L184 L252 Y407 | L133-L175 HydrophobicContact CD1-CD2 3.54Å; P137-L175 WeakPolarHBondContact CB-O 3.46Å; P137-L175 WeakPolarHBondContact O-CD1 3.25Å; P137-L175 PolarHBondContact O-N 3.28Å; A139-L175 HydrophobicContact CB-CD1 4.22Å; L175-Y182 HydrophobicContact CB-CD1 3.98Å; L175-Y182 HydrophobicContact CB-CE1 4.37Å; L175-C183 WeakPolarHBondContact CA-O 3.35Å; L175-L184 HydrophobicContact CD1-CD2 4.49Å; L175-L184 HydrophobicContact CG-CD2 4.12Å; L175-L252 HydrophobicContact CD1-CD1 3.77Å; L175-L252 HydrophobicContact CD1-CD2 4.17Å; L175-L252 HydrophobicContact CD2-CD1 4.32Å; L175-L252 HydrophobicContact CD2-CD2 3.72Å; L175-Y407 PolarHBondContact O-OH 3.08Å |
| 176 | V | 96.6 | Very high | 95.5 | Very high | 21 Ų | 21 | 24.5 Ų | 24.5 | 13% | 0.127 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 110.6 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | T174 Y182 C183 K185 F191 I409 | T174-V176 HydrophobicContact CG2-CG2 4.16Å; T174-V176 PolarHBondContact O-N 2.98Å; V176-Y182 CarbonylContact O-C 3.57Å; V176-Y182 VanDerWaalsContact O-CA 3.32Å; V176-Y182 WeakPolarHBondContact O-CA 3.3Å; V176-C183 HydrophobicContact CB-CB 4.31Å; V176-C183 PolarHBondContact N-O 3Å; V176-C183 PolarHBondContact O-N 3.03Å; V176-K185 HydrophobicContact CG2-CB 3.82Å; V176-K185 HydrophobicContact CG2-CD 4.11Å; V176-F191 HydrophobicContact CB-CE1 4.26Å; V176-F191 HydrophobicContact CG2-CE1 3.99Å; V176-I409 HydrophobicContact CG2-CD1 3.72Å |
| 177 | Y | 94.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 131.3 | 175.6 | 177.9 | -98 | 0 | 0 | 0 | 111.2 | A130 H132 G180 K181 Y182 V406 Y407 | A130-Y177 VanDerWaalsContact CB-OH 3.26Å; A130-Y177 WeakPolarHBondContact CB-OH 3.41Å; H132-Y177 AromaticContact CD2-CE2 3.71Å; H132-Y177 AromaticContact CD2-CZ 3.72Å; H132-Y177 AromaticContact CE1-CD1 3.99Å; H132-Y177 AromaticContact CE1-CE1 3.9Å; H132-Y177 AromaticContact NE2-CD1 3.56Å; H132-Y177 AromaticContact NE2-CD2 4Å; H132-Y177 AromaticContact NE2-CE1 3.15Å; H132-Y177 WeakPolarHBondContact NE2-CE1 3.4Å; H132-Y177 AromaticContact NE2-CE2 3.62Å; H132-Y177 AromaticContact NE2-CG 3.95Å; H132-Y177 AromaticContact NE2-CZ 3.16Å; Y177-G180 WeakPolarHBondContact OH-CA 3.43Å; Y177-G180 PolarHBondContact OH-N 3.16Å; Y177-G180 VanDerWaalsContact OH-N 3.09Å; Y177-K181 CarbonylContact C-O 3.57Å; Y177-K181 WeakPolarHBondContact CA-O 2.74Å; Y177-K181 WeakPolarHBondContact CD2-O 3.22Å; Y177-Y182 HydrophobicContact CD2-CD2 4.12Å; Y177-Y182 HydrophobicContact CD2-CE1 4.19Å; Y177-Y182 AromaticContact CD2-CE2 3.63Å; Y177-Y182 HydrophobicContact CD2-CE2 3.63Å; Y177-Y182 AromaticContact CD2-CZ 3.67Å; Y177-Y182 HydrophobicContact CE2-CE2 4.32Å; Y177-Y182 HydrophobicContact CG-CE1 4.47Å; Y177-V406 HydrophobicContact CD1-CG1 4.45Å; Y177-Y407 VanDerWaalsContact CB-OH 3.31Å; Y177-Y407 WeakPolarHBondContact CB-OH 3.44Å; Y177-Y407 PolarHBondContact N-OH 2.99Å |
| 178 | Q | 89.4 | Confident | 95.5 | Very high | 73 Ų | 73 | 27.5 Ų | 27.5 | 34% | 0.341 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 117.7 | 176.7 | -174.2 | 176.6 | 8 | 0 | 0 | 110 | G180 K181 N202 | Q178-G180 VanDerWaalsContact C-N 3.34Å; Q178-G180 PolarHBondContact O-N 2.83Å; Q178-K181 PolarHBondContact N-O 3.44Å; Q178-K181 WeakPolarHBondContact O-CA 3.36Å; Q178-K181 PolarHBondContact O-N 2.92Å; Q178-N202 PolarHBondContact NE2-ND2 2.9Å; Q178-N202 PolarHBondContact OE1-ND2 3.24Å |
| 179 | D | 85.4 | Confident | 95.5 | Very high | 135 Ų | 135 | 29.6 Ų | 29.6 | 72% | 0.722 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 49.8 | 170.3 | -54.9 | -36.7 | 0 | 0 | 0 | 114.4 | K181 | D179-K181 VanDerWaalsContact C-N 3.31Å; D179-K181 PolarHBondContact O-N 2.8Å |
| 180 | G | 88.9 | Confident | 95.6 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 8% | 0.082 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -4.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | G96 Y177 Q178 | G96-G180 CarbonylContact C-O 3.52Å; Y177-G180 WeakPolarHBondContact OH-CA 3.43Å; Y177-G180 PolarHBondContact OH-N 3.16Å; Y177-G180 VanDerWaalsContact OH-N 3.09Å; Q178-G180 VanDerWaalsContact C-N 3.34Å; Q178-G180 PolarHBondContact O-N 2.83Å |
| 181 | K | 94.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 169.6 | -178.8 | -62.9 | -177.5 | -175.8 | 179 | 0 | 111.6 | S94 D95 Y177 Q178 D179 A207 Y208 | S94-K181 WeakPolarHBondContact O-CE 3.25Å; S94-K181 PolarHBondContact O-NZ 2.83Å; D95-K181 VanDerWaalsContact C-CE 3.48Å; D95-K181 WeakPolarHBondContact O-CE 3.28Å; Y177-K181 CarbonylContact C-O 3.57Å; Y177-K181 WeakPolarHBondContact CA-O 2.74Å; Y177-K181 WeakPolarHBondContact CD2-O 3.22Å; Q178-K181 PolarHBondContact N-O 3.44Å; Q178-K181 WeakPolarHBondContact O-CA 3.36Å; Q178-K181 PolarHBondContact O-N 2.92Å; D179-K181 VanDerWaalsContact C-N 3.31Å; D179-K181 PolarHBondContact O-N 2.8Å; K181-A207 HydrophobicContact CB-CB 4.23Å; K181-A207 HydrophobicContact CD-CB 4.03Å; K181-Y208 WeakPolarHBondContact CA-O 3.45Å; K181-Y208 WeakPolarHBondContact CB-O 3.27Å |
| 182 | Y | 96.5 | Very high | 95.8 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.1 | 177.2 | -78.9 | -91.2 | 0 | 0 | 0 | 111.1 | H132 L133 L175 V176 Y177 Y208 L210 | H132-Y182 WeakPolarHBondContact CA-OH 3.4Å; L133-Y182 HydrophobicContact CD1-CE1 4.42Å; L133-Y182 PolarHBondContact N-OH 3.01Å; L175-Y182 HydrophobicContact CB-CD1 3.98Å; L175-Y182 HydrophobicContact CB-CE1 4.37Å; V176-Y182 CarbonylContact O-C 3.57Å; V176-Y182 VanDerWaalsContact O-CA 3.32Å; V176-Y182 WeakPolarHBondContact O-CA 3.3Å; Y177-Y182 HydrophobicContact CD2-CD2 4.12Å; Y177-Y182 HydrophobicContact CD2-CE1 4.19Å; Y177-Y182 AromaticContact CD2-CE2 3.63Å; Y177-Y182 HydrophobicContact CD2-CE2 3.63Å; Y177-Y182 AromaticContact CD2-CZ 3.67Å; Y177-Y182 HydrophobicContact CE2-CE2 4.32Å; Y177-Y182 HydrophobicContact CG-CE1 4.47Å; Y182-Y208 PolarHBondContact N-O 3.1Å; Y182-Y208 WeakPolarHBondContact O-CA 3.34Å; Y182-Y208 WeakPolarHBondContact O-CB 3.22Å; Y182-Y208 WeakPolarHBondContact O-CD2 3.48Å; Y182-Y208 PolarHBondContact O-N 3.16Å; Y182-L210 HydrophobicContact CD2-CD1 3.31Å; Y182-L210 HydrophobicContact CD2-CG 3.62Å; Y182-L210 HydrophobicContact CE2-CD1 3.56Å; Y182-L210 HydrophobicContact CE2-CG 4.27Å; Y182-L210 HydrophobicContact CG-CD1 3.83Å; Y182-L210 HydrophobicContact CG-CG 4.14Å |
| 183 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.2 | 168.4 | -54.3 | 0 | 0 | 0 | 0 | 109.5 | L175 V176 F191 T206 | L175-C183 WeakPolarHBondContact CA-O 3.35Å; V176-C183 HydrophobicContact CB-CB 4.31Å; V176-C183 PolarHBondContact N-O 3Å; V176-C183 PolarHBondContact O-N 3.03Å; C183-F191 HydrophobicContact CB-CD1 3.66Å; C183-F191 HydrophobicContact CB-CE1 4.06Å; C183-T206 WeakPolarHBondContact CA-O 3.2Å; C183-T206 WeakPolarHBondContact CB-O 3.41Å; C183-T206 PolarHBondContact SG-O 3.36Å |
| 184 | L | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.3 | 171.8 | -66.3 | 173.6 | 0 | 0 | 0 | 108.9 | L175 F191 L192 F219 L227 L236 | L175-L184 HydrophobicContact CD1-CD2 4.49Å; L175-L184 HydrophobicContact CG-CD2 4.12Å; L184-F191 CarbonylContact O-C 3.44Å; L184-F191 WeakPolarHBondContact O-CA 3.49Å; L184-L192 HydrophobicContact CB-CB 4.08Å; L184-L192 HydrophobicContact CD1-CD2 3.91Å; L184-L192 PolarHBondContact O-N 3.15Å; L184-F219 HydrophobicContact CD1-CD1 4.37Å; L184-F219 HydrophobicContact CD1-CE1 4.33Å; L184-F219 HydrophobicContact CD2-CE1 3.85Å; L184-F219 HydrophobicContact CD2-CZ 4.26Å; L184-F219 HydrophobicContact CG-CE1 4.27Å; L184-L227 HydrophobicContact CD1-CD1 3.68Å; L184-L236 HydrophobicContact CD1-CD2 4.12Å |
| 185 | K | 98.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.6 | -180 | -172.2 | 174.8 | -176.5 | 168.3 | 0 | 111 | T174 V176 S189 R190 F191 M381 I409 | T174-K185 PolarHBondContact N-O 2.93Å; T174-K185 WeakPolarHBondContact O-CB 3.45Å; T174-K185 PolarHBondContact O-N 3.28Å; V176-K185 HydrophobicContact CG2-CB 3.82Å; V176-K185 HydrophobicContact CG2-CD 4.11Å; K185-S189 VanDerWaalsContact CE-CB 3.5Å; K185-S189 WeakPolarHBondContact CE-O 3.48Å; K185-R190 CarbonylContact C-O 3.5Å; K185-R190 VanDerWaalsContact CA-O 3.24Å; K185-R190 WeakPolarHBondContact CA-O 3.27Å; K185-F191 HydrophobicContact CB-CD1 3.93Å; K185-F191 HydrophobicContact CB-CE1 3.93Å; K185-F191 HydrophobicContact CD-CE1 3.85Å; K185-F191 HydrophobicContact CD-CZ 3.85Å; K185-F191 HydrophobicContact CG-CD1 4.26Å; K185-F191 HydrophobicContact CG-CE1 4.09Å; K185-F191 HydrophobicContact CG-CZ 4.4Å; K185-M381 HydrophobicContact CD-SD 4.03Å; K185-M381 HydrophobicContact CG-CE 4.44Å; K185-M381 HydrophobicContact CG-SD 4.47Å; K185-I409 HydrophobicContact CD-CD1 4.13Å |
| 186 | T | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -82.6 | 166.2 | 177.8 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | L152 I159 L173 D188 S189 R190 L198 M381 | L152-T186 HydrophobicContact CB-CG2 4.36Å; L152-T186 HydrophobicContact CD1-CG2 4.2Å; I159-T186 HydrophobicContact CD1-CG2 3.66Å; I159-T186 HydrophobicContact CG1-CG2 3.73Å; L173-T186 HydrophobicContact CD2-CG2 4.11Å; T186-D188 WeakPolarHBondContact CB-OD1 3.27Å; T186-D188 PolarHBondContact O-N 2.82Å; T186-D188 VanDerWaalsContact O-N 3.16Å; T186-D188 PolarHBondContact OG1-OD1 3.39Å; T186-S189 PolarHBondContact O-N 3.34Å; T186-R190 PolarHBondContact N-O 2.89Å; T186-R190 PolarHBondContact OG1-O 2.73Å; T186-R190 VanDerWaalsContact OG1-O 3.05Å; T186-L198 HydrophobicContact CG2-CD1 4.33Å; T186-L198 HydrophobicContact CG2-CD2 3.91Å; T186-M381 WeakPolarHBondContact O-CE 3.5Å | ||
| 187 | C | 96 | Very high | 95.8 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 14% | 0.135 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | -177.1 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | V169 S189 P380 | V169-C187 HydrophobicContact CG2-CB 3.76Å; V169-C187 WeakPolarHBondContact O-CB 3.33Å; C187-S189 VanDerWaalsContact C-N 3.26Å; C187-S189 PolarHBondContact O-N 2.91Å; C187-P380 HydrophobicContact CB-CG 4.23Å |
| 188 | D | 95.9 | Very high | 96 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 15.3 | 175.5 | 69.1 | -9.6 | 0 | 0 | 0 | 113.3 | L152 T186 R190 | L152-D188 HydrophobicContact CD2-CB 4.11Å; T186-D188 WeakPolarHBondContact CB-OD1 3.27Å; T186-D188 PolarHBondContact O-N 2.82Å; T186-D188 VanDerWaalsContact O-N 3.16Å; T186-D188 PolarHBondContact OG1-OD1 3.39Å; D188-R190 VanDerWaalsContact C-N 3.35Å; D188-R190 PolarHBondContact O-N 2.87Å; D188-R190 PolarHBondContact OD1-N 3.42Å; D188-R190 IonicContact OD1-NE 2.6Å; D188-R190 IonicContact OD2-CZ 3.08Å; D188-R190 IonicContact OD2-NE 2.71Å; D188-R190 PolarHBondContact OD2-NE 2.9Å; D188-R190 IonicContact OD2-NH2 3.7Å; D188-R190 PolarHBondContact OD2-NH2 2.84Å |
| 189 | S | 95.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 69.3 | 16.3 | 176 | -64 | 0 | 0 | 0 | 0 | 117.5 | K185 T186 C187 | K185-S189 VanDerWaalsContact CE-CB 3.5Å; K185-S189 WeakPolarHBondContact CE-O 3.48Å; T186-S189 PolarHBondContact O-N 3.34Å; C187-S189 VanDerWaalsContact C-N 3.26Å; C187-S189 PolarHBondContact O-N 2.91Å |
| 190 | R | 97.8 | Very high | 97 | Very high | 56 Ų | 56 | 35 Ų | 35 | 21% | 0.211 | 19% | 0.187 | C | C | . | . | trans | -91 | 156.5 | 171.3 | -62.5 | -177.1 | -69.6 | 167.5 | -5.3 | 112.3 | K185 T186 D188 L198 L199 T200 | K185-R190 CarbonylContact C-O 3.5Å; K185-R190 VanDerWaalsContact CA-O 3.24Å; K185-R190 WeakPolarHBondContact CA-O 3.27Å; T186-R190 PolarHBondContact N-O 2.89Å; T186-R190 PolarHBondContact OG1-O 2.73Å; T186-R190 VanDerWaalsContact OG1-O 3.05Å; D188-R190 VanDerWaalsContact C-N 3.35Å; D188-R190 PolarHBondContact O-N 2.87Å; D188-R190 PolarHBondContact OD1-N 3.42Å; D188-R190 IonicContact OD1-NE 2.6Å; D188-R190 IonicContact OD2-CZ 3.08Å; D188-R190 IonicContact OD2-NE 2.71Å; D188-R190 PolarHBondContact OD2-NE 2.9Å; D188-R190 IonicContact OD2-NH2 3.7Å; D188-R190 PolarHBondContact OD2-NH2 2.84Å; R190-L198 HydrophobicContact CB-CB 3.87Å; R190-L198 HydrophobicContact CB-CD2 4.46Å; R190-L199 CarbonylContact C-O 3.52Å; R190-L199 VanDerWaalsContact CA-O 3.22Å; R190-L199 WeakPolarHBondContact CA-O 3.28Å; R190-L199 WeakPolarHBondContact CB-O 3.47Å; R190-T200 HydrophobicContact CG-CG2 4.45Å | ||
| 191 | F | 98.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 41.7 Ų | 41.7 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.7 | 178.8 | -62.9 | -85.1 | 0 | 0 | 0 | 111.1 | V176 C183 L184 K185 S193 L198 L199 N202 T206 | V176-F191 HydrophobicContact CB-CE1 4.26Å; V176-F191 HydrophobicContact CG2-CE1 3.99Å; C183-F191 HydrophobicContact CB-CD1 3.66Å; C183-F191 HydrophobicContact CB-CE1 4.06Å; L184-F191 CarbonylContact O-C 3.44Å; L184-F191 WeakPolarHBondContact O-CA 3.49Å; K185-F191 HydrophobicContact CB-CD1 3.93Å; K185-F191 HydrophobicContact CB-CE1 3.93Å; K185-F191 HydrophobicContact CD-CE1 3.85Å; K185-F191 HydrophobicContact CD-CZ 3.85Å; K185-F191 HydrophobicContact CG-CD1 4.26Å; K185-F191 HydrophobicContact CG-CE1 4.09Å; K185-F191 HydrophobicContact CG-CZ 4.4Å; F191-S193 PolarHBondContact O-N 3.47Å; F191-L198 CarbonylContact O-C 3.51Å; F191-L198 WeakPolarHBondContact O-CA 3.28Å; F191-L199 PolarHBondContact N-O 3.3Å; F191-L199 PolarHBondContact O-N 3.19Å; F191-N202 HydrophobicContact CD1-CB 4.49Å; F191-N202 HydrophobicContact CD2-CB 4.28Å; F191-N202 HydrophobicContact CE1-CB 4.38Å; F191-N202 HydrophobicContact CE2-CB 4.19Å; F191-N202 HydrophobicContact CG-CB 4.41Å; F191-N202 HydrophobicContact CZ-CB 4.23Å; F191-T206 HydrophobicContact CB-CG2 3.97Å |
| 192 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.1 | 172.9 | -174.6 | 68.9 | 0 | 0 | 0 | 111 | I159 L184 L198 T206 Y208 L227 L236 | I159-L192 HydrophobicContact CB-CD1 4.42Å; I159-L192 HydrophobicContact CD1-CB 3.95Å; I159-L192 HydrophobicContact CD1-CD1 4.03Å; I159-L192 HydrophobicContact CD1-CD2 4.19Å; I159-L192 HydrophobicContact CD1-CG 4.27Å; I159-L192 HydrophobicContact CG1-CD1 4.18Å; L184-L192 HydrophobicContact CB-CB 4.08Å; L184-L192 HydrophobicContact CD1-CD2 3.91Å; L184-L192 PolarHBondContact O-N 3.15Å; L192-L198 HydrophobicContact CB-CD2 4.47Å; L192-L198 HydrophobicContact CD1-CD2 4.35Å; L192-T206 WeakPolarHBondContact O-CA 3.44Å; L192-T206 VanDerWaalsContact O-CB 3.26Å; L192-T206 WeakPolarHBondContact O-CB 3.16Å; L192-Y208 PolarHBondContact O-OH 3.24Å; L192-L227 HydrophobicContact CD2-CD1 3.78Å; L192-L227 HydrophobicContact CD2-CD2 4.11Å; L192-L236 WeakPolarHBondContact CD1-O 3.23Å; L192-L236 HydrophobicContact CD2-CB 4.31Å; L192-L236 HydrophobicContact CD2-CD2 3.75Å; L192-L236 HydrophobicContact CD2-CG 3.84Å |
| 193 | S | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | trans | -89.8 | 153.1 | 169 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | F191 D195 G196 K197 A205 Y208 | F191-S193 PolarHBondContact O-N 3.47Å; S193-D195 VanDerWaalsContact CB-OD1 3.23Å; S193-D195 WeakPolarHBondContact CB-OD1 3.41Å; S193-D195 PolarHBondContact O-N 2.81Å; S193-D195 VanDerWaalsContact O-N 3.12Å; S193-D195 PolarHBondContact OG-OD1 2.92Å; S193-G196 PolarHBondContact O-N 3.36Å; S193-K197 WeakPolarHBondContact CB-O 3.47Å; S193-K197 PolarHBondContact N-O 2.63Å; S193-A205 CarbonylContact C-O 3.56Å; S193-Y208 PolarHBondContact O-OH 3.17Å | ||
| 194 | S | 97.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24 | 178.1 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | G196 A205 Y208 S238 | S194-G196 VanDerWaalsContact C-N 3.29Å; S194-A205 PolarHBondContact N-O 3.02Å; S194-Y208 WeakPolarHBondContact CA-OH 3.42Å; S194-Y208 PolarHBondContact N-OH 3.34Å; S194-Y208 VanDerWaalsContact N-OH 3.13Å; S194-S238 WeakPolarHBondContact CB-OG 3.16Å; S194-S238 VanDerWaalsContact O-CB 3.3Å; S194-S238 WeakPolarHBondContact O-CB 3.3Å; S194-S238 PolarHBondContact O-N 2.95Å |
| 195 | D | 97.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.4 | 174.8 | 73.2 | -21.3 | 0 | 0 | 0 | 114.2 | S193 K197 | S193-D195 VanDerWaalsContact CB-OD1 3.23Å; S193-D195 WeakPolarHBondContact CB-OD1 3.41Å; S193-D195 PolarHBondContact O-N 2.81Å; S193-D195 VanDerWaalsContact O-N 3.12Å; S193-D195 PolarHBondContact OG-OD1 2.92Å; D195-K197 WeakPolarHBondContact OD1-CB 3.39Å; D195-K197 PolarHBondContact OD1-N 2.76Å; D195-K197 WeakPolarHBondContact OD2-CD 3.33Å; D195-K197 WeakPolarHBondContact OD2-CE 3.15Å; D195-K197 IonicContact OD2-NZ 3.51Å; D195-K197 PolarHBondContact OD2-NZ 2.9Å |
| 196 | G | 97.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 97.8 | -3.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S193 S194 | S193-G196 PolarHBondContact O-N 3.36Å; S194-G196 VanDerWaalsContact C-N 3.29Å |
| 197 | K | 97.5 | Very high | 96.6 | Very high | 128 Ų | 128 | 54.1 Ų | 54.1 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | trans | -80.4 | 157.7 | 177.5 | -64.7 | -179.5 | -168.9 | 130.3 | 0 | 112 | S193 D195 | S193-K197 WeakPolarHBondContact CB-O 3.47Å; S193-K197 PolarHBondContact N-O 2.63Å; D195-K197 WeakPolarHBondContact OD1-CB 3.39Å; D195-K197 PolarHBondContact OD1-N 2.76Å; D195-K197 WeakPolarHBondContact OD2-CD 3.33Å; D195-K197 WeakPolarHBondContact OD2-CE 3.15Å; D195-K197 IonicContact OD2-NZ 3.51Å; D195-K197 PolarHBondContact OD2-NZ 2.9Å | ||
| 198 | L | 98.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.5 | 173 | -70 | 177.1 | 0 | 0 | 0 | 110.9 | L152 I159 T186 R190 F191 L192 | L152-L198 HydrophobicContact CD1-CD1 3.34Å; I159-L198 HydrophobicContact CD1-CD2 4.27Å; I159-L198 HydrophobicContact CG1-CD2 4.03Å; T186-L198 HydrophobicContact CG2-CD1 4.33Å; T186-L198 HydrophobicContact CG2-CD2 3.91Å; R190-L198 HydrophobicContact CB-CB 3.87Å; R190-L198 HydrophobicContact CB-CD2 4.46Å; F191-L198 CarbonylContact O-C 3.51Å; F191-L198 WeakPolarHBondContact O-CA 3.28Å; L192-L198 HydrophobicContact CB-CD2 4.47Å; L192-L198 HydrophobicContact CD1-CD2 4.35Å |
| 199 | L | 97.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.6 | -177.2 | -55.2 | -177.3 | 0 | 0 | 0 | 111.2 | R190 F191 T206 | R190-L199 CarbonylContact C-O 3.52Å; R190-L199 VanDerWaalsContact CA-O 3.22Å; R190-L199 WeakPolarHBondContact CA-O 3.28Å; R190-L199 WeakPolarHBondContact CB-O 3.47Å; F191-L199 PolarHBondContact N-O 3.3Å; F191-L199 PolarHBondContact O-N 3.19Å; L199-T206 HydrophobicContact CB-CG2 4.47Å; L199-T206 HydrophobicContact CD1-CG2 3.89Å; L199-T206 HydrophobicContact CG-CG2 4.48Å |
| 200 | T | 96.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -75.8 | -25.9 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 113.3 | R190 | R190-T200 HydrophobicContact CG-CG2 4.45Š|
| 201 | E | 94.4 | Very high | 96.1 | Very high | 147 Ų | 147 | 47.4 Ų | 47.4 | 69% | 0.687 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -110.9 | 149.9 | 179.7 | -64 | -176 | 175.2 | 0 | 0 | 110.4 | ||
| 202 | N | 91.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 48 Ų | 48 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -79.9 | 156.2 | 169.2 | 57.1 | -3.7 | 0 | 0 | 0 | 110.4 | Q178 F191 T206 | Q178-N202 PolarHBondContact NE2-ND2 2.9Å; Q178-N202 PolarHBondContact OE1-ND2 3.24Å; F191-N202 HydrophobicContact CD1-CB 4.49Å; F191-N202 HydrophobicContact CD2-CB 4.28Å; F191-N202 HydrophobicContact CE1-CB 4.38Å; F191-N202 HydrophobicContact CE2-CB 4.19Å; F191-N202 HydrophobicContact CG-CB 4.41Å; F191-N202 HydrophobicContact CZ-CB 4.23Å; N202-T206 WeakPolarHBondContact CA-OG1 3.49Å | ||
| 203 | G | 93.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | trans | -173.9 | -168.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A205 T206 A207 | G203-A205 PolarHBondContact O-N 2.84Å; G203-T206 PolarHBondContact N-OG1 2.93Å; G203-T206 PolarHBondContact O-N 2.71Å; G203-T206 PolarHBondContact O-OG1 2.75Å; G203-T206 VanDerWaalsContact O-OG1 3.08Å; G203-A207 WeakPolarHBondContact O-CB 3.38Å; G203-A207 PolarHBondContact O-N 2.91Å | ||
| 204 | R | 94.2 | Very high | 93.9 | Very high | 192 Ų | 192 | 55.3 Ų | 55.3 | 73% | 0.725 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -56.4 | -37.7 | -178.1 | -175.9 | -178.7 | 171 | 179.8 | 0.7 | 112.8 | T206 C222 | R204-T206 VanDerWaalsContact C-N 3.34Å; R204-C222 HydrophobicContact CG-CB 3.57Å; R204-C222 WeakPolarHBondContact O-CB 3.41Å |
| 205 | A | 96.3 | Very high | 93 | Very high | 36 Ų | 36 | 56 Ų | 56 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -76.2 | -18.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S193 S194 G203 | S193-A205 CarbonylContact C-O 3.56Å; S194-A205 PolarHBondContact N-O 3.02Å; G203-A205 PolarHBondContact O-N 2.84Å |
| 206 | T | 97.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -102.9 | -2.2 | -179.4 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | C183 F191 L192 L199 N202 G203 R204 Y208 | C183-T206 WeakPolarHBondContact CA-O 3.2Å; C183-T206 WeakPolarHBondContact CB-O 3.41Å; C183-T206 PolarHBondContact SG-O 3.36Å; F191-T206 HydrophobicContact CB-CG2 3.97Å; L192-T206 WeakPolarHBondContact O-CA 3.44Å; L192-T206 VanDerWaalsContact O-CB 3.26Å; L192-T206 WeakPolarHBondContact O-CB 3.16Å; L199-T206 HydrophobicContact CB-CG2 4.47Å; L199-T206 HydrophobicContact CD1-CG2 3.89Å; L199-T206 HydrophobicContact CG-CG2 4.48Å; N202-T206 WeakPolarHBondContact CA-OG1 3.49Å; G203-T206 PolarHBondContact N-OG1 2.93Å; G203-T206 PolarHBondContact O-N 2.71Å; G203-T206 PolarHBondContact O-OG1 2.75Å; G203-T206 VanDerWaalsContact O-OG1 3.08Å; R204-T206 VanDerWaalsContact C-N 3.34Å; T206-Y208 WeakPolarHBondContact O-CD2 3.38Å; T206-Y208 VanDerWaalsContact O-CE2 3.23Å; T206-Y208 WeakPolarHBondContact O-CE2 3.44Å |
| 207 | A | 96.9 | Very high | 92.4 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | trans | -99.7 | 123.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K181 G203 | K181-A207 HydrophobicContact CB-CB 4.23Å; K181-A207 HydrophobicContact CD-CB 4.03Å; G203-A207 WeakPolarHBondContact O-CB 3.38Å; G203-A207 PolarHBondContact O-N 2.91Å | ||
| 208 | Y | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 135.1 | -176.9 | -55.5 | -86.2 | 0 | 0 | 0 | 111.3 | K181 Y182 L192 S193 S194 T206 F219 K220 D221 L227 | K181-Y208 WeakPolarHBondContact CA-O 3.45Å; K181-Y208 WeakPolarHBondContact CB-O 3.27Å; Y182-Y208 PolarHBondContact N-O 3.1Å; Y182-Y208 WeakPolarHBondContact O-CA 3.34Å; Y182-Y208 WeakPolarHBondContact O-CB 3.22Å; Y182-Y208 WeakPolarHBondContact O-CD2 3.48Å; Y182-Y208 PolarHBondContact O-N 3.16Å; L192-Y208 PolarHBondContact O-OH 3.24Å; S193-Y208 PolarHBondContact O-OH 3.17Å; S194-Y208 WeakPolarHBondContact CA-OH 3.42Å; S194-Y208 PolarHBondContact N-OH 3.34Å; S194-Y208 VanDerWaalsContact N-OH 3.13Å; T206-Y208 WeakPolarHBondContact O-CD2 3.38Å; T206-Y208 VanDerWaalsContact O-CE2 3.23Å; T206-Y208 WeakPolarHBondContact O-CE2 3.44Å; Y208-F219 HydrophobicContact CD1-CB 4.09Å; Y208-F219 HydrophobicContact CG-CB 4.1Å; Y208-K220 CarbonylContact C-O 3.45Å; Y208-K220 WeakPolarHBondContact CA-O 3.48Å; Y208-D221 HydrophobicContact CD1-CB 4.07Å; Y208-D221 HydrophobicContact CE1-CB 3.97Å; Y208-L227 HydrophobicContact CD1-CD1 4.12Å; Y208-L227 HydrophobicContact CD1-CD2 4.45Å; Y208-L227 HydrophobicContact CD1-CG 4.01Å; Y208-L227 HydrophobicContact CE1-CD1 3.79Å; Y208-L227 HydrophobicContact CE1-CD2 3.55Å; Y208-L227 HydrophobicContact CE1-CG 3.58Å; Y208-L227 HydrophobicContact CE2-CD1 4.22Å; Y208-L227 HydrophobicContact CG-CD1 4.47Å |
| 209 | T | 94.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.3 | 165.5 | -53.7 | 0 | 0 | 0 | 0 | 107.9 | K220 | T209-K220 PolarHBondContact N-O 2.88Å; T209-K220 WeakPolarHBondContact O-CB 3.28Å; T209-K220 PolarHBondContact O-N 2.88Å |
| 210 | L | 92.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.1 | 175.4 | -61.3 | -174.7 | 0 | 0 | 0 | 109.6 | M131 L133 Y182 L217 F219 | M131-L210 HydrophobicContact CE-CB 3.42Å; M131-L210 VanDerWaalsContact CE-CB 3.42Å; M131-L210 HydrophobicContact CE-CD1 3.75Å; M131-L210 HydrophobicContact CE-CG 4.19Å; L133-L210 HydrophobicContact CD1-CD1 3.88Å; L133-L210 HydrophobicContact CD2-CD1 4.16Å; L133-L210 HydrophobicContact CG-CD1 4.05Å; Y182-L210 HydrophobicContact CD2-CD1 3.31Å; Y182-L210 HydrophobicContact CD2-CG 3.62Å; Y182-L210 HydrophobicContact CE2-CD1 3.56Å; Y182-L210 HydrophobicContact CE2-CG 4.27Å; Y182-L210 HydrophobicContact CG-CD1 3.83Å; Y182-L210 HydrophobicContact CG-CG 4.14Å; L210-L217 HydrophobicContact CB-CD2 4.32Å; L210-L217 HydrophobicContact CD1-CD2 4.18Å; L210-F219 HydrophobicContact CD2-CD1 3.35Å; L210-F219 HydrophobicContact CD2-CE1 3.39Å; L210-F219 HydrophobicContact CD2-CG 4.14Å; L210-F219 HydrophobicContact CD2-CZ 4.2Å |
| 211 | E | 90.4 | Very high | 92.1 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 147.3 | 169.3 | -68.4 | -167.8 | -177.3 | 0 | 0 | 110.1 | A218 K220 Y226 | E211-A218 PolarHBondContact N-O 2.86Å; E211-A218 PolarHBondContact O-N 2.91Å; E211-K220 VanDerWaalsContact OE1-CD 3.26Å; E211-K220 WeakPolarHBondContact OE1-CD 3.42Å; E211-K220 IonicContact OE1-NZ 3.4Å; E211-K220 PolarHBondContact OE1-NZ 2.9Å; E211-Y226 VanDerWaalsContact CD-OH 3.24Å; E211-Y226 HydrophobicContact CG-CE1 4.44Å; E211-Y226 PolarHBondContact OE1-OH 2.83Å; E211-Y226 PolarHBondContact OE2-OH 2.73Å |
| 212 | L | 85.4 | Confident | 92.1 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.1 | 178.3 | -61.5 | -179.8 | 0 | 0 | 0 | 110.5 | L11 F13 L47 W98 M131 K216 L217 | L11-L212 HydrophobicContact CD2-CD1 4.17Å; L11-L212 HydrophobicContact CD2-CD2 3.12Å; L11-L212 HydrophobicContact CD2-CG 4.27Å; L11-L212 HydrophobicContact CG-CD2 4.46Å; F13-L212 HydrophobicContact CD1-CD1 4.14Å; F13-L212 HydrophobicContact CE1-CD1 3.8Å; F13-L212 HydrophobicContact CZ-CD1 4.48Å; L47-L212 HydrophobicContact CB-CD1 4.03Å; L47-L212 HydrophobicContact CD2-CB 3.75Å; L47-L212 HydrophobicContact CD2-CD1 3.79Å; L47-L212 HydrophobicContact CD2-CG 4.38Å; W98-L212 HydrophobicContact CH2-CD1 3.82Å; W98-L212 HydrophobicContact CH2-CG 4.1Å; M131-L212 HydrophobicContact SD-CD1 4.12Å; L212-K216 WeakPolarHBondContact CA-O 3.26Å; L212-L217 HydrophobicContact CD2-CD2 3.64Å; L212-L217 HydrophobicContact CD2-CG 4.38Å |
| 213 | K | 84.4 | Confident | 92.2 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 32% | 0.317 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 123 | 175.9 | -177.2 | 168.2 | -178.8 | 173 | 0 | 110.4 | G215 K216 P244 L249 | K213-G215 PolarHBondContact O-N 2.87Å; K213-G215 VanDerWaalsContact O-N 3.17Å; K213-K216 PolarHBondContact N-O 2.78Å; K213-K216 WeakPolarHBondContact O-CB 3.39Å; K213-K216 PolarHBondContact O-N 2.89Å; K213-P244 HydrophobicContact CD-CG 3.91Å; K213-P244 WeakPolarHBondContact CD-O 3.21Å; K213-P244 WeakPolarHBondContact CE-O 3.45Å; K213-P244 PolarHBondContact NZ-O 2.68Å; K213-L249 HydrophobicContact CB-CD2 3.99Å; K213-L249 HydrophobicContact CG-CD2 4.48Å |
| 214 | C | 79.9 | Confident | 92.3 | Very high | 86 Ų | 86 | 39 Ų | 39 | 58% | 0.581 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.7 | -178.6 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | K216 | C214-K216 VanDerWaalsContact C-N 3.25Å; C214-K216 PolarHBondContact O-N 2.91Å |
| 215 | G | 79.1 | Confident | 92.4 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 9.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | K213 | K213-G215 PolarHBondContact O-N 2.87Å; K213-G215 VanDerWaalsContact O-N 3.17Å |
| 216 | K | 88.7 | Confident | 92.5 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 14% | 0.143 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 159 | 176.7 | -52.1 | -62.6 | 173.3 | -179.8 | 0 | 111.1 | V144 L212 K213 C214 L249 D251 | V144-K216 HydrophobicContact CG2-CD 3.91Å; V144-K216 HydrophobicContact CG2-CG 4.13Å; L212-K216 WeakPolarHBondContact CA-O 3.26Å; K213-K216 PolarHBondContact N-O 2.78Å; K213-K216 WeakPolarHBondContact O-CB 3.39Å; K213-K216 PolarHBondContact O-N 2.89Å; C214-K216 VanDerWaalsContact C-N 3.25Å; C214-K216 PolarHBondContact O-N 2.91Å; K216-L249 HydrophobicContact CB-CB 3.86Å; K216-L249 HydrophobicContact CB-CD1 4.12Å; K216-L249 HydrophobicContact CB-CD2 4.16Å; K216-L249 HydrophobicContact CB-CG 4.22Å; K216-L249 HydrophobicContact CG-CB 4.29Å; K216-L249 HydrophobicContact CG-CD1 4.18Å; K216-D251 WeakPolarHBondContact CD-OD1 3.24Å; K216-D251 WeakPolarHBondContact CE-OD1 3.48Å; K216-D251 IonicContact NZ-OD1 3.83Å; K216-D251 PolarHBondContact NZ-OD1 3.35Å; K216-D251 IonicContact NZ-OD2 2.91Å; K216-D251 PolarHBondContact NZ-OD2 2.73Å |
| 217 | L | 93.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 140.9 | 176 | -74.5 | 165.9 | 0 | 0 | 0 | 111 | L11 L133 L210 L212 F219 L249 F250 L252 | L11-L217 HydrophobicContact CD1-CD1 4.13Å; L11-L217 HydrophobicContact CD1-CG 4.36Å; L11-L217 HydrophobicContact CD2-CD2 3.67Å; L11-L217 HydrophobicContact CD2-CG 4.03Å; L133-L217 HydrophobicContact CD2-CD2 4.41Å; L210-L217 HydrophobicContact CB-CD2 4.32Å; L210-L217 HydrophobicContact CD1-CD2 4.18Å; L212-L217 HydrophobicContact CD2-CD2 3.64Å; L212-L217 HydrophobicContact CD2-CG 4.38Å; L217-F219 HydrophobicContact CB-CE2 4.28Å; L217-L249 WeakPolarHBondContact O-CA 3.33Å; L217-F250 PolarHBondContact N-O 3.04Å; L217-F250 PolarHBondContact O-N 2.89Å; L217-L252 HydrophobicContact CD1-CB 3.86Å; L217-L252 HydrophobicContact CD1-CD2 4.17Å |
| 218 | A | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E211 Y226 P244 E248 L249 | E211-A218 PolarHBondContact N-O 2.86Å; E211-A218 PolarHBondContact O-N 2.91Å; A218-Y226 HydrophobicContact CB-CD1 3.8Å; A218-Y226 HydrophobicContact CB-CE1 4.18Å; A218-P244 HydrophobicContact CB-CB 3.63Å; A218-P244 HydrophobicContact CB-CG 4.04Å; A218-E248 WeakPolarHBondContact CA-O 3.27Å; A218-L249 HydrophobicContact CB-CD2 4.25Å |
| 219 | F | 96.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.8 | -177.1 | -62.2 | -98.8 | 0 | 0 | 0 | 109.2 | L141 L184 Y208 L210 L217 Y226 L227 F250 | L141-F219 HydrophobicContact CD1-CE2 3.85Å; L141-F219 HydrophobicContact CD1-CZ 3.9Å; L141-F219 HydrophobicContact CD2-CE2 4.44Å; L184-F219 HydrophobicContact CD1-CD1 4.37Å; L184-F219 HydrophobicContact CD1-CE1 4.33Å; L184-F219 HydrophobicContact CD2-CE1 3.85Å; L184-F219 HydrophobicContact CD2-CZ 4.26Å; L184-F219 HydrophobicContact CG-CE1 4.27Å; Y208-F219 HydrophobicContact CD1-CB 4.09Å; Y208-F219 HydrophobicContact CG-CB 4.1Å; L210-F219 HydrophobicContact CD2-CD1 3.35Å; L210-F219 HydrophobicContact CD2-CE1 3.39Å; L210-F219 HydrophobicContact CD2-CG 4.14Å; L210-F219 HydrophobicContact CD2-CZ 4.2Å; L217-F219 HydrophobicContact CB-CE2 4.28Å; F219-Y226 CarbonylContact O-C 3.56Å; F219-Y226 VanDerWaalsContact O-CA 3.26Å; F219-Y226 WeakPolarHBondContact O-CA 3.33Å; F219-L227 HydrophobicContact CB-CB 4.05Å; F219-L227 HydrophobicContact CB-CD1 3.6Å; F219-L227 HydrophobicContact CB-CG 3.81Å; F219-L227 HydrophobicContact CD2-CD1 4.45Å; F219-L227 HydrophobicContact CG-CD1 3.99Å; F219-L227 PolarHBondContact O-N 3.31Å; F219-F250 AromaticContact CD2-CD2 3.81Å; F219-F250 HydrophobicContact CD2-CD2 3.81Å; F219-F250 HydrophobicContact CD2-CE2 4.18Å; F219-F250 HydrophobicContact CE2-CB 4.22Å; F219-F250 AromaticContact CE2-CD2 3.87Å; F219-F250 HydrophobicContact CE2-CD2 3.87Å; F219-F250 HydrophobicContact CE2-CG 4.18Å |
| 220 | K | 96.4 | Very high | 92.8 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 20% | 0.2 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.3 | -177.9 | -171.8 | -176 | -166.3 | 166.2 | 0 | 111.2 | Y208 T209 E211 K225 Y226 | Y208-K220 CarbonylContact C-O 3.45Å; Y208-K220 WeakPolarHBondContact CA-O 3.48Å; T209-K220 PolarHBondContact N-O 2.88Å; T209-K220 WeakPolarHBondContact O-CB 3.28Å; T209-K220 PolarHBondContact O-N 2.88Å; E211-K220 VanDerWaalsContact OE1-CD 3.26Å; E211-K220 WeakPolarHBondContact OE1-CD 3.42Å; E211-K220 IonicContact OE1-NZ 3.4Å; E211-K220 PolarHBondContact OE1-NZ 2.9Å; K220-K225 CarbonylContact C-O 3.45Å; K220-K225 VanDerWaalsContact CA-O 3.24Å; K220-K225 WeakPolarHBondContact CA-O 3.42Å; K220-Y226 HydrophobicContact CB-CD1 3.95Å; K220-Y226 HydrophobicContact CB-CE1 3.62Å; K220-Y226 HydrophobicContact CD-CE1 4.2Å; K220-Y226 WeakPolarHBondContact CE-OH 3.21Å; K220-Y226 HydrophobicContact CG-CD1 4.42Å; K220-Y226 HydrophobicContact CG-CE1 3.93Å; K220-Y226 HydrophobicContact CG-CE2 4.31Å |
| 221 | D | 96.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | trans | -77.9 | -177.7 | 179.2 | 73 | 14.6 | 0 | 0 | 0 | 113.4 | Y208 E223 G224 K225 S238 | Y208-D221 HydrophobicContact CD1-CB 4.07Å; Y208-D221 HydrophobicContact CE1-CB 3.97Å; D221-E223 PolarHBondContact O-N 2.95Å; D221-E223 WeakPolarHBondContact OD1-CA 3.18Å; D221-E223 PolarHBondContact OD1-N 3.01Å; D221-G224 PolarHBondContact O-N 2.81Å; D221-G224 VanDerWaalsContact O-N 3.16Å; D221-G224 PolarHBondContact OD1-N 3.45Å; D221-K225 PolarHBondContact N-O 3.48Å; D221-K225 PolarHBondContact OD1-N 3.49Å; D221-S238 WeakPolarHBondContact OD2-CB 3.48Å; D221-S238 PolarHBondContact OD2-OG 2.53Å | ||
| 222 | C | 93.8 | Very high | 93.2 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -5.9 | -178.6 | 76.3 | 0 | 0 | 0 | 0 | 115.7 | R204 | R204-C222 HydrophobicContact CG-CB 3.57Å; R204-C222 WeakPolarHBondContact O-CB 3.41Å |
| 223 | E | 94.8 | Very high | 93.7 | Very high | 150 Ų | 150 | 41.5 Ų | 41.5 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 2.5 | 174.3 | -60.7 | -170.4 | 171.3 | 0 | 0 | 111.8 | D221 K225 | D221-E223 PolarHBondContact O-N 2.95Å; D221-E223 WeakPolarHBondContact OD1-CA 3.18Å; D221-E223 PolarHBondContact OD1-N 3.01Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 HydrophobicContact CB-CG 4.39Å |
| 224 | G | 94.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 77 | 18.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D221 | D221-G224 PolarHBondContact O-N 2.81Å; D221-G224 VanDerWaalsContact O-N 3.16Å; D221-G224 PolarHBondContact OD1-N 3.45Å |
| 225 | K | 97.2 | Very high | 95.2 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | trans | -96.2 | 166.7 | 171.6 | -51.5 | -55.5 | -175.3 | 175.7 | 0 | 110.3 | K220 D221 E223 R240 C241 | K220-K225 CarbonylContact C-O 3.45Å; K220-K225 VanDerWaalsContact CA-O 3.24Å; K220-K225 WeakPolarHBondContact CA-O 3.42Å; D221-K225 PolarHBondContact N-O 3.48Å; D221-K225 PolarHBondContact OD1-N 3.49Å; E223-K225 VanDerWaalsContact C-N 3.33Å; E223-K225 HydrophobicContact CB-CG 4.39Å; K225-R240 WeakPolarHBondContact CD-O 3.27Å; K225-R240 PolarHBondContact NZ-O 3.43Å; K225-C241 WeakPolarHBondContact CA-O 3.39Å; K225-C241 WeakPolarHBondContact CD-O 3.19Å | ||
| 226 | Y | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -120.5 | 143.7 | -173.3 | -63.6 | -95.9 | 0 | 0 | 0 | 111.8 | E211 A218 F219 K220 S238 G239 C241 S242 P244 E248 | E211-Y226 VanDerWaalsContact CD-OH 3.24Å; E211-Y226 HydrophobicContact CG-CE1 4.44Å; E211-Y226 PolarHBondContact OE1-OH 2.83Å; E211-Y226 PolarHBondContact OE2-OH 2.73Å; A218-Y226 HydrophobicContact CB-CD1 3.8Å; A218-Y226 HydrophobicContact CB-CE1 4.18Å; F219-Y226 CarbonylContact O-C 3.56Å; F219-Y226 VanDerWaalsContact O-CA 3.26Å; F219-Y226 WeakPolarHBondContact O-CA 3.33Å; K220-Y226 HydrophobicContact CB-CD1 3.95Å; K220-Y226 HydrophobicContact CB-CE1 3.62Å; K220-Y226 HydrophobicContact CD-CE1 4.2Å; K220-Y226 WeakPolarHBondContact CE-OH 3.21Å; K220-Y226 HydrophobicContact CG-CD1 4.42Å; K220-Y226 HydrophobicContact CG-CE1 3.93Å; K220-Y226 HydrophobicContact CG-CE2 4.31Å; Y226-S238 WeakPolarHBondContact O-CA 3.36Å; Y226-G239 PolarHBondContact O-N 3.23Å; Y226-C241 WeakPolarHBondContact CD2-O 3.49Å; Y226-S242 VanDerWaalsContact CE2-C 3.44Å; Y226-S242 WeakPolarHBondContact CE2-O 3.25Å; Y226-P244 HydrophobicContact CD1-CB 4.02Å; Y226-P244 HydrophobicContact CD1-CG 4.34Å; Y226-P244 HydrophobicContact CE1-CB 4.16Å; Y226-P244 HydrophobicContact CE1-CG 3.96Å; Y226-P244 HydrophobicContact CG-CB 4.31Å; Y226-E248 VanDerWaalsContact CB-CG 3.5Å; Y226-E248 HydrophobicContact CG-CG 4.35Å |
| 227 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 135.6 | 169.5 | -67 | -176.1 | 0 | 0 | 0 | 110.6 | L184 L192 Y208 F219 L236 R237 E248 F250 | L184-L227 HydrophobicContact CD1-CD1 3.68Å; L192-L227 HydrophobicContact CD2-CD1 3.78Å; L192-L227 HydrophobicContact CD2-CD2 4.11Å; Y208-L227 HydrophobicContact CD1-CD1 4.12Å; Y208-L227 HydrophobicContact CD1-CD2 4.45Å; Y208-L227 HydrophobicContact CD1-CG 4.01Å; Y208-L227 HydrophobicContact CE1-CD1 3.79Å; Y208-L227 HydrophobicContact CE1-CD2 3.55Å; Y208-L227 HydrophobicContact CE1-CG 3.58Å; Y208-L227 HydrophobicContact CE2-CD1 4.22Å; Y208-L227 HydrophobicContact CG-CD1 4.47Å; F219-L227 HydrophobicContact CB-CB 4.05Å; F219-L227 HydrophobicContact CB-CD1 3.6Å; F219-L227 HydrophobicContact CB-CG 3.81Å; F219-L227 HydrophobicContact CD2-CD1 4.45Å; F219-L227 HydrophobicContact CG-CD1 3.99Å; F219-L227 PolarHBondContact O-N 3.31Å; L227-L236 HydrophobicContact CB-CD1 4Å; L227-L236 HydrophobicContact CB-CG 4.46Å; L227-L236 HydrophobicContact CD1-CD2 4.37Å; L227-L236 HydrophobicContact CD1-CG 4.32Å; L227-R237 CarbonylContact C-O 3.35Å; L227-R237 WeakPolarHBondContact CA-O 3.36Å; L227-R237 VanDerWaalsContact CD2-C 3.5Å; L227-E248 WeakPolarHBondContact O-CA 3.49Å; L227-F250 HydrophobicContact CB-CE2 4.42Å; L227-F250 WeakPolarHBondContact O-CE2 3.18Å |
| 228 | S | 98.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.1 | 173.6 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | M230 R237 | S228-M230 PolarHBondContact O-N 3.35Å; S228-R237 PolarHBondContact N-O 3.45Å; S228-R237 PolarHBondContact O-N 3Å; S228-R237 VanDerWaalsContact O-O 3.07Å |
| 229 | P | 98.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.1 | 174 | -22.9 | 37.3 | 0 | 0 | 0 | 112.6 | R146 V161 L236 D247 F250 | R146-P229 HydrophobicContact CG-CB 4.24Å; R146-P229 HydrophobicContact CG-CG 4.44Å; R146-P229 VanDerWaalsContact NE-CB 3.3Å; V161-P229 HydrophobicContact CB-CB 3.99Å; V161-P229 HydrophobicContact CB-CG 4.01Å; V161-P229 HydrophobicContact CG1-CB 4.42Å; V161-P229 HydrophobicContact CG1-CG 3.98Å; V161-P229 HydrophobicContact CG2-CB 4.25Å; V161-P229 HydrophobicContact CG2-CG 4.09Å; P229-L236 HydrophobicContact CG-CD1 4.48Å; P229-D247 VanDerWaalsContact CD-O 3.31Å; P229-D247 WeakPolarHBondContact CD-O 3.43Å; P229-F250 HydrophobicContact CG-CE1 4.1Å; P229-F250 HydrophobicContact CG-CZ 4.33Å |
| 230 | M | 96.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.8 | -176.3 | -59.1 | -172.3 | 77.1 | 0 | 0 | 113.2 | S228 G234 T235 R237 | S228-M230 PolarHBondContact O-N 3.35Å; M230-G234 CarbonylContact O-C 3.49Å; M230-G234 WeakPolarHBondContact O-CA 3.46Å; M230-G234 PolarHBondContact O-N 3.02Å; M230-T235 PolarHBondContact N-O 2.93Å; M230-T235 PolarHBondContact O-N 2.88Å; M230-R237 HydrophobicContact CG-CG 4.28Å; M230-R237 HydrophobicContact SD-CG 3.76Å; M230-R237 PolarHBondContact SD-NE 3.46Å |
| 231 | G | 95.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -175 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R146 G234 | R146-G231 PolarHBondContact NH2-O 3.1Å; G231-G234 PolarHBondContact O-N 3.19Å |
| 232 | P | 95.3 | Very high | 96 | Very high | 131 Ų | 131 | 53 Ų | 53 | 85% | 0.851 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -52.6 | -174.4 | -25.5 | 35.9 | 0 | 0 | 0 | 113.9 | R146 G234 | R146-P232 PolarHBondContact NH1-O 3.32Å; P232-G234 PolarHBondContact O-N 3.17Å |
| 233 | T | 95.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 27% | 0.27 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -18 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | E158 V161 | E158-T233 PolarHBondContact OE1-OG1 2.76Å; V161-T233 CarbonylContact C-O 3.51Å; V161-T233 PolarHBondContact N-O 2.72Å |
| 234 | G | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V161 M230 G231 P232 L236 | V161-G234 WeakPolarHBondContact CG2-O 3.15Å; V161-G234 PolarHBondContact N-O 3.41Å; M230-G234 CarbonylContact O-C 3.49Å; M230-G234 WeakPolarHBondContact O-CA 3.46Å; M230-G234 PolarHBondContact O-N 3.02Å; G231-G234 PolarHBondContact O-N 3.19Å; P232-G234 PolarHBondContact O-N 3.17Å; G234-L236 PolarHBondContact O-N 3.11Å |
| 235 | T | 98.5 | Very high | 95.7 | Very high | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -38.5 | 115.9 | 169.7 | -48.1 | 0 | 0 | 0 | 0 | 110.2 | E158 M230 R237 | E158-T235 HydrophobicContact CB-CG2 4.26Å; E158-T235 PolarHBondContact OE1-OG1 3.06Å; E158-T235 WeakPolarHBondContact OE2-CB 3.28Å; E158-T235 WeakPolarHBondContact OE2-CG2 3.39Å; E158-T235 PolarHBondContact OE2-OG1 3.08Å; M230-T235 PolarHBondContact N-O 2.93Å; M230-T235 PolarHBondContact O-N 2.88Å; T235-R237 PolarHBondContact O-N 3.36Å |
| 236 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 110.4 | -178.6 | -173.6 | 62 | 0 | 0 | 0 | 109.2 | L141 I159 V161 L184 L192 L227 P229 G234 F250 | L141-L236 HydrophobicContact CD2-CD2 4.01Å; I159-L236 HydrophobicContact CB-CB 4.13Å; I159-L236 HydrophobicContact CG2-CB 4.08Å; I159-L236 HydrophobicContact CG2-CD2 4.02Å; I159-L236 PolarHBondContact O-N 3.41Å; V161-L236 HydrophobicContact CG2-CB 4Å; V161-L236 HydrophobicContact CG2-CD1 4.37Å; L184-L236 HydrophobicContact CD1-CD2 4.12Å; L192-L236 WeakPolarHBondContact CD1-O 3.23Å; L192-L236 HydrophobicContact CD2-CB 4.31Å; L192-L236 HydrophobicContact CD2-CD2 3.75Å; L192-L236 HydrophobicContact CD2-CG 3.84Å; L227-L236 HydrophobicContact CB-CD1 4Å; L227-L236 HydrophobicContact CB-CG 4.46Å; L227-L236 HydrophobicContact CD1-CD2 4.37Å; L227-L236 HydrophobicContact CD1-CG 4.32Å; P229-L236 HydrophobicContact CG-CD1 4.48Å; G234-L236 PolarHBondContact O-N 3.11Å; L236-F250 HydrophobicContact CD1-CE1 3.79Å; L236-F250 HydrophobicContact CD1-CZ 3.49Å; L236-F250 VanDerWaalsContact CD1-CZ 3.49Å |
| 237 | R | 98.5 | Very high | 95.5 | Very high | 103 Ų | 103 | 60.6 Ų | 60.6 | 39% | 0.389 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 168.9 | 178 | 69.5 | 179.8 | -171.5 | -173.5 | -1.6 | 111.6 | L227 S228 M230 T235 G239 | L227-R237 CarbonylContact C-O 3.35Å; L227-R237 WeakPolarHBondContact CA-O 3.36Å; L227-R237 VanDerWaalsContact CD2-C 3.5Å; S228-R237 PolarHBondContact N-O 3.45Å; S228-R237 PolarHBondContact O-N 3Å; S228-R237 VanDerWaalsContact O-O 3.07Å; M230-R237 HydrophobicContact CG-CG 4.28Å; M230-R237 HydrophobicContact SD-CG 3.76Å; M230-R237 PolarHBondContact SD-NE 3.46Å; T235-R237 PolarHBondContact O-N 3.36Å; R237-G239 PolarHBondContact O-N 3.13Å |
| 238 | S | 98.2 | Very high | 95.5 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 126.4 | 176 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | S194 D221 Y226 | S194-S238 WeakPolarHBondContact CB-OG 3.16Å; S194-S238 VanDerWaalsContact O-CB 3.3Å; S194-S238 WeakPolarHBondContact O-CB 3.3Å; S194-S238 PolarHBondContact O-N 2.95Å; D221-S238 WeakPolarHBondContact OD2-CB 3.48Å; D221-S238 PolarHBondContact OD2-OG 2.53Å; Y226-S238 WeakPolarHBondContact O-CA 3.36Å |
| 239 | G | 94.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | trans | -81.1 | -159.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y226 R237 | Y226-G239 PolarHBondContact O-N 3.23Å; R237-G239 PolarHBondContact O-N 3.13Å | ||
| 240 | R | 91.9 | Very high | 95.4 | Very high | 232 Ų | 232 | 60.6 Ų | 60.6 | 88% | 0.875 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -98 | -13.8 | 176.9 | -62 | -178.7 | -177.9 | -178.1 | 0.4 | 113.3 | K225 | K225-R240 WeakPolarHBondContact CD-O 3.27Å; K225-R240 PolarHBondContact NZ-O 3.43Å |
| 241 | C | 91.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | trans | -64.2 | 133.5 | -175.3 | -60 | 0 | 0 | 0 | 0 | 111.3 | K225 Y226 E248 | K225-C241 WeakPolarHBondContact CA-O 3.39Å; K225-C241 WeakPolarHBondContact CD-O 3.19Å; Y226-C241 WeakPolarHBondContact CD2-O 3.49Å; C241-E248 PolarHBondContact SG-OE1 3.34Å | ||
| 242 | S | 89.9 | Confident | 95.2 | Very high | 80 Ų | 80 | 57.7 Ų | 57.7 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -99.9 | 1.2 | 172.7 | 55 | 0 | 0 | 0 | 0 | 113.4 | Y226 | Y226-S242 VanDerWaalsContact CE2-C 3.44Å; Y226-S242 WeakPolarHBondContact CE2-O 3.25Å |
| 243 | K | 91.3 | Very high | 95.1 | Very high | 164 Ų | 164 | 53.5 Ų | 53.5 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -138.5 | 139.2 | 171.1 | -64.4 | -176.1 | 179.7 | -177.1 | 0 | 107.9 | G245 | K243-G245 PolarHBondContact O-N 3.03Š|
| 244 | P | 92.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | trans | -73.1 | 122.3 | -177 | 26.6 | -29.5 | 0 | 0 | 0 | 110.4 | K213 A218 Y226 E248 L249 | K213-P244 HydrophobicContact CD-CG 3.91Å; K213-P244 WeakPolarHBondContact CD-O 3.21Å; K213-P244 WeakPolarHBondContact CE-O 3.45Å; K213-P244 PolarHBondContact NZ-O 2.68Å; A218-P244 HydrophobicContact CB-CB 3.63Å; A218-P244 HydrophobicContact CB-CG 4.04Å; Y226-P244 HydrophobicContact CD1-CB 4.02Å; Y226-P244 HydrophobicContact CD1-CG 4.34Å; Y226-P244 HydrophobicContact CE1-CB 4.16Å; Y226-P244 HydrophobicContact CE1-CG 3.96Å; Y226-P244 HydrophobicContact CG-CB 4.31Å; P244-E248 HydrophobicContact CB-CB 3.82Å; P244-L249 HydrophobicContact CB-CD2 4.26Å | ||
| 245 | G | 92.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -94.4 | -167 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K243 D247 E248 L249 | K243-G245 PolarHBondContact O-N 3.03Å; G245-D247 PolarHBondContact O-N 2.96Å; G245-E248 VanDerWaalsContact C-OE2 3.28Å; G245-E248 WeakPolarHBondContact CA-OE2 3.48Å; G245-E248 PolarHBondContact N-OE2 2.55Å; G245-E248 PolarHBondContact O-N 2.84Å; G245-L249 WeakPolarHBondContact O-CG 3.35Å | ||
| 246 | K | 94.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 54.3 Ų | 54.3 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -62 | -31.3 | -178.5 | -173.5 | -176.5 | 175.6 | -171.1 | 0 | 113 | V144 A145 E248 L249 | V144-K246 HydrophobicContact CG1-CG 4.3Å; A145-K246 HydrophobicContact CB-CG 4.37Å; K246-E248 VanDerWaalsContact C-N 3.3Å; K246-L249 PolarHBondContact O-N 3.14Å |
| 247 | D | 96.7 | Very high | 94.6 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -73.9 | -23.3 | -177.2 | -61.6 | -31.7 | 0 | 0 | 0 | 112.6 | A145 P229 G245 | A145-D247 HydrophobicContact CB-CB 4.41Å; A145-D247 WeakPolarHBondContact CB-OD1 3.49Å; P229-D247 VanDerWaalsContact CD-O 3.31Å; P229-D247 WeakPolarHBondContact CD-O 3.43Å; G245-D247 PolarHBondContact O-N 2.96Å |
| 248 | E | 97.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -91.6 | 2.1 | 177.2 | -63.9 | 71.8 | -160 | 0 | 0 | 113.6 | A218 Y226 L227 C241 P244 G245 K246 F250 | A218-E248 WeakPolarHBondContact CA-O 3.27Å; Y226-E248 VanDerWaalsContact CB-CG 3.5Å; Y226-E248 HydrophobicContact CG-CG 4.35Å; L227-E248 WeakPolarHBondContact O-CA 3.49Å; C241-E248 PolarHBondContact SG-OE1 3.34Å; P244-E248 HydrophobicContact CB-CB 3.82Å; G245-E248 VanDerWaalsContact C-OE2 3.28Å; G245-E248 WeakPolarHBondContact CA-OE2 3.48Å; G245-E248 PolarHBondContact N-OE2 2.55Å; G245-E248 PolarHBondContact O-N 2.84Å; K246-E248 VanDerWaalsContact C-N 3.3Å; E248-F250 WeakPolarHBondContact O-CD2 3.47Å; E248-F250 WeakPolarHBondContact O-CE2 3.27Å |
| 249 | L | 96.6 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | trans | -97.9 | 135.4 | -178.8 | -60.5 | -174.9 | 0 | 0 | 0 | 112.4 | V144 K213 K216 L217 A218 P244 G245 K246 | V144-L249 HydrophobicContact CB-CB 4.1Å; V144-L249 WeakPolarHBondContact CB-O 3.42Å; V144-L249 HydrophobicContact CG2-CB 3.94Å; V144-L249 WeakPolarHBondContact CG2-O 3.22Å; V144-L249 PolarHBondContact N-O 3.36Å; K213-L249 HydrophobicContact CB-CD2 3.99Å; K213-L249 HydrophobicContact CG-CD2 4.48Å; K216-L249 HydrophobicContact CB-CB 3.86Å; K216-L249 HydrophobicContact CB-CD1 4.12Å; K216-L249 HydrophobicContact CB-CD2 4.16Å; K216-L249 HydrophobicContact CB-CG 4.22Å; K216-L249 HydrophobicContact CG-CB 4.29Å; K216-L249 HydrophobicContact CG-CD1 4.18Å; L217-L249 WeakPolarHBondContact O-CA 3.33Å; A218-L249 HydrophobicContact CB-CD2 4.25Å; P244-L249 HydrophobicContact CB-CD2 4.26Å; G245-L249 WeakPolarHBondContact O-CG 3.35Å; K246-L249 PolarHBondContact O-N 3.14Å | ||
| 250 | F | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.5 | 179.1 | -55.2 | -92.8 | 0 | 0 | 0 | 111.8 | L141 L142 L217 F219 L227 P229 L236 E248 | L141-F250 HydrophobicContact CD1-CB 3.55Å; L141-F250 HydrophobicContact CD1-CD1 4.23Å; L141-F250 HydrophobicContact CD1-CG 4.04Å; L141-F250 HydrophobicContact CD2-CD1 3.91Å; L141-F250 HydrophobicContact CD2-CE1 4.32Å; L141-F250 HydrophobicContact CD2-CG 4.33Å; L141-F250 HydrophobicContact CG-CB 4.08Å; L141-F250 HydrophobicContact CG-CD1 3.84Å; L141-F250 HydrophobicContact CG-CG 4.17Å; L142-F250 CarbonylContact O-C 3.59Å; L142-F250 VanDerWaalsContact O-CA 3.24Å; L142-F250 WeakPolarHBondContact O-CA 3.25Å; L217-F250 PolarHBondContact N-O 3.04Å; L217-F250 PolarHBondContact O-N 2.89Å; F219-F250 AromaticContact CD2-CD2 3.81Å; F219-F250 HydrophobicContact CD2-CD2 3.81Å; F219-F250 HydrophobicContact CD2-CE2 4.18Å; F219-F250 HydrophobicContact CE2-CB 4.22Å; F219-F250 AromaticContact CE2-CD2 3.87Å; F219-F250 HydrophobicContact CE2-CD2 3.87Å; F219-F250 HydrophobicContact CE2-CG 4.18Å; L227-F250 HydrophobicContact CB-CE2 4.42Å; L227-F250 WeakPolarHBondContact O-CE2 3.18Å; P229-F250 HydrophobicContact CG-CE1 4.1Å; P229-F250 HydrophobicContact CG-CZ 4.33Å; L236-F250 HydrophobicContact CD1-CE1 3.79Å; L236-F250 HydrophobicContact CD1-CZ 3.49Å; L236-F250 VanDerWaalsContact CD1-CZ 3.49Å; E248-F250 WeakPolarHBondContact O-CD2 3.47Å; E248-F250 WeakPolarHBondContact O-CE2 3.27Å |
| 251 | D | 95.3 | Very high | 95 | Very high | 26 Ų | 26 | 37.1 Ų | 37.1 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 144.3 | 162.7 | -80.5 | -54.3 | 0 | 0 | 0 | 109.5 | L142 K216 | L142-D251 HydrophobicContact CB-CB 4.09Å; L142-D251 HydrophobicContact CD2-CB 4.34Å; L142-D251 PolarHBondContact N-O 3.5Å; L142-D251 PolarHBondContact O-N 3.21Å; K216-D251 WeakPolarHBondContact CD-OD1 3.24Å; K216-D251 WeakPolarHBondContact CE-OD1 3.48Å; K216-D251 IonicContact NZ-OD1 3.83Å; K216-D251 PolarHBondContact NZ-OD1 3.35Å; K216-D251 IonicContact NZ-OD2 2.91Å; K216-D251 PolarHBondContact NZ-OD2 2.73Å |
| 252 | L | 93.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.4 | 174.6 | -164.8 | 70.6 | 0 | 0 | 0 | 108.8 | L133 L135 A139 L141 L175 L217 | L133-L252 HydrophobicContact CD1-CD2 3.87Å; L135-L252 HydrophobicContact CD2-CB 4.09Å; L135-L252 HydrophobicContact CD2-CD2 3.46Å; L135-L252 VanDerWaalsContact CD2-CD2 3.46Å; L135-L252 HydrophobicContact CD2-CG 3.45Å; L135-L252 VanDerWaalsContact CD2-CG 3.45Å; A139-L252 HydrophobicContact CB-CD1 3.57Å; A139-L252 HydrophobicContact CB-CD2 4.23Å; A139-L252 HydrophobicContact CB-CG 3.71Å; L141-L252 HydrophobicContact CD1-CD1 3.99Å; L175-L252 HydrophobicContact CD1-CD1 3.77Å; L175-L252 HydrophobicContact CD1-CD2 4.17Å; L175-L252 HydrophobicContact CD2-CD1 4.32Å; L175-L252 HydrophobicContact CD2-CD2 3.72Å; L217-L252 HydrophobicContact CD1-CB 3.86Å; L217-L252 HydrophobicContact CD1-CD2 4.17Å |
| 253 | E | 93.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 20% | 0.201 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.5 | -175.2 | -60.3 | -167.6 | -176.4 | 0 | 0 | 111.4 | A139 N140 Y149 S255 | A139-E253 CarbonylContact C-O 3.49Å; A139-E253 VanDerWaalsContact CA-O 3.3Å; A139-E253 WeakPolarHBondContact CA-O 3.29Å; A139-E253 VanDerWaalsContact CB-O 3.25Å; A139-E253 WeakPolarHBondContact CB-O 3.15Å; N140-E253 PolarHBondContact N-O 3.22Å; N140-E253 PolarHBondContact O-N 3.31Å; Y149-E253 PolarHBondContact OH-OE2 3Å; E253-S255 PolarHBondContact O-N 2.97Å |
| 254 | E | 92 | Very high | 95.6 | Very high | 48 Ų | 48 | 25.9 Ų | 25.9 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 125.9 | 173 | -176.1 | -171.8 | 171 | 0 | 0 | 109.9 | L135 H256 R454 | L135-E254 HydrophobicContact CD1-CB 4.47Å; E254-H256 PolarHBondContact O-N 3.12Å; E254-H256 IonicContact OE1-CE1 3.95Å; E254-H256 IonicContact OE1-ND1 2.67Å; E254-H256 IonicContact OE2-CE1 3.72Å; E254-R454 IonicContact OE2-CZ 3.29Å; E254-R454 IonicContact OE2-NE 3.9Å; E254-R454 PolarHBondContact OE2-NE 3.24Å; E254-R454 IonicContact OE2-NH2 3.02Å; E254-R454 PolarHBondContact OE2-NH2 3.13Å |
| 255 | S | 95.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -79.3 | 105.2 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | N140 E253 R379 | N140-S255 WeakPolarHBondContact OD1-CA 3.48Å; E253-S255 PolarHBondContact O-N 2.97Å; S255-R379 PolarHBondContact O-NH2 3.3Å; S255-R379 PolarHBondContact OG-NH1 3.37Å; S255-R379 VanDerWaalsContact OG-NH1 3.11Å | ||
| 256 | H | 95.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.167 | 17% | 0.167 | C | C | . | . | trans | -68.6 | 151.1 | 176.3 | -68.2 | -56.5 | 0 | 0 | 0 | 112.2 | E254 Q258 Q291 N378 | E254-H256 PolarHBondContact O-N 3.12Å; E254-H256 IonicContact OE1-CE1 3.95Å; E254-H256 IonicContact OE1-ND1 2.67Å; E254-H256 IonicContact OE2-CE1 3.72Å; H256-Q258 PolarHBondContact O-N 3.33Å; H256-Q291 HydrophobicContact CB-CG 3.62Å; H256-N378 PolarHBondContact O-ND2 3.3Å | ||
| 257 | P | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | trans | -63.2 | 130.5 | 175.7 | 25.3 | -32 | 0 | 0 | 0 | 110.4 | Q291 M292 L376 L451 F490 | P257-Q291 WeakPolarHBondContact O-CA 3.35Å; P257-M292 HydrophobicContact CG-CB 4.35Å; P257-M292 WeakPolarHBondContact CG-O 3.4Å; P257-M292 PolarHBondContact O-N 2.81Å; P257-L376 HydrophobicContact CB-CD1 3.6Å; P257-L451 HydrophobicContact CB-CD1 4.01Å; P257-L451 HydrophobicContact CB-CD2 4.27Å; P257-L451 HydrophobicContact CG-CD1 4.28Å; P257-L451 HydrophobicContact CG-CD2 4.48Å; P257-F490 HydrophobicContact CB-CE2 3.94Å; P257-F490 HydrophobicContact CB-CZ 3.96Å; P257-F490 HydrophobicContact CG-CE2 4.42Å; P257-F490 HydrophobicContact CG-CZ 4.03Å | ||
| 258 | Q | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.8 | 170.5 | -68.5 | 177.5 | 21.9 | 0 | 0 | 108.6 | P166 H256 T289 F290 Q291 I377 N378 | P166-Q258 PolarHBondContact O-NE2 2.6Å; H256-Q258 PolarHBondContact O-N 3.33Å; Q258-T289 HydrophobicContact CB-CG2 3.9Å; Q258-T289 HydrophobicContact CG-CG2 4.44Å; Q258-F290 CarbonylContact C-O 3.47Å; Q258-F290 WeakPolarHBondContact CA-O 3.49Å; Q258-Q291 HydrophobicContact CG-CB 4.06Å; Q258-Q291 HydrophobicContact CG-CG 4.39Å; Q258-I377 HydrophobicContact CB-CG1 4.14Å; Q258-I377 VanDerWaalsContact O-CG1 3.23Å; Q258-I377 WeakPolarHBondContact O-CG1 3.48Å; Q258-I377 PolarHBondContact O-N 2.98Å; Q258-N378 HydrophobicContact CB-CB 4.16Å; Q258-N378 PolarHBondContact N-OD1 2.63Å |
| 259 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 153 | -170.4 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | F290 M292 F303 L374 K375 L376 L451 | V259-F290 PolarHBondContact N-O 2.93Å; V259-F290 PolarHBondContact O-N 3.42Å; V259-M292 HydrophobicContact CG1-CB 4.48Å; V259-M292 HydrophobicContact CG2-CB 4.34Å; V259-F303 HydrophobicContact CG2-CD1 4.4Å; V259-F303 HydrophobicContact CG2-CE1 4.19Å; V259-L374 HydrophobicContact CB-CD2 4.17Å; V259-L374 HydrophobicContact CB-CG 4.18Å; V259-L374 HydrophobicContact CG1-CD2 3.72Å; V259-L374 HydrophobicContact CG1-CG 4.18Å; V259-L374 HydrophobicContact CG2-CG 4.49Å; V259-K375 CarbonylContact C-O 3.51Å; V259-K375 WeakPolarHBondContact CA-O 3.5Å; V259-L376 HydrophobicContact CG1-CD1 4.39Å; V259-L451 HydrophobicContact CG1-CD1 3.98Å |
| 260 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147 | 161.8 | -59.6 | 0 | 0 | 0 | 0 | 108 | Y268 E284 K375 I377 | V260-Y268 HydrophobicContact CB-CD1 4.1Å; V260-Y268 HydrophobicContact CB-CE1 4.28Å; V260-Y268 HydrophobicContact CG2-CD1 4.22Å; V260-Y268 HydrophobicContact CG2-CE1 3.9Å; V260-E284 HydrophobicContact CG1-CG 4.34Å; V260-K375 HydrophobicContact CG2-CB 3.67Å; V260-K375 HydrophobicContact CG2-CD 3.78Å; V260-K375 HydrophobicContact CG2-CG 4.1Å; V260-K375 PolarHBondContact N-O 3.05Å; V260-K375 PolarHBondContact O-N 3.01Å; V260-I377 HydrophobicContact CB-CG2 4.41Å; V260-I377 HydrophobicContact CG1-CD1 4.24Å; V260-I377 HydrophobicContact CG1-CG2 3.82Å; V260-I377 HydrophobicContact CG2-CG2 3.86Å |
| 261 | L | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.5 | 179.6 | -71.1 | 163.1 | 0 | 0 | 0 | 109 | Y268 V269 F303 W311 V341 I343 L372 T373 L374 | L261-Y268 WeakPolarHBondContact O-CA 3.48Å; L261-V269 HydrophobicContact CB-CB 4.07Å; L261-V269 HydrophobicContact CB-CG2 3.73Å; L261-V269 WeakPolarHBondContact O-CG2 3.48Å; L261-V269 PolarHBondContact O-N 3.42Å; L261-F303 HydrophobicContact CD1-CE1 4.29Å; L261-W311 HydrophobicContact CD1-CH2 3.35Å; L261-W311 HydrophobicContact CD1-CZ2 4.02Å; L261-W311 HydrophobicContact CD1-CZ3 4.03Å; L261-V341 HydrophobicContact CD2-CG2 4.44Å; L261-I343 HydrophobicContact CD1-CD1 4.03Å; L261-I343 HydrophobicContact CD2-CD1 4.23Å; L261-L372 HydrophobicContact CD2-CB 4.32Å; L261-L372 HydrophobicContact CD2-CD1 4.36Å; L261-T373 WeakPolarHBondContact CA-O 3.48Å; L261-L374 HydrophobicContact CD2-CB 3.89Å; L261-L374 HydrophobicContact CD2-CD1 4.2Å; L261-L374 HydrophobicContact CD2-CG 4.06Å |
| 262 | I | 96.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.8 | -179.5 | -52.7 | 167.3 | 0 | 0 | 0 | 107.9 | R267 Y268 L372 T373 | I262-R267 WeakPolarHBondContact CA-O 3.28Å; I262-Y268 HydrophobicContact CD1-CD1 4.48Å; I262-Y268 HydrophobicContact CD1-CE1 3.78Å; I262-Y268 HydrophobicContact CG1-CD1 3.75Å; I262-Y268 HydrophobicContact CG1-CE1 3.54Å; I262-L372 CarbonylContact O-C 3.52Å; I262-L372 WeakPolarHBondContact O-CA 3.48Å; I262-T373 PolarHBondContact N-O 2.98Å; I262-T373 PolarHBondContact O-N 2.93Å |
| 263 | A | 96.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | trans | -79.7 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | N265 G266 R267 A279 T353 L372 | A263-N265 WeakPolarHBondContact CB-OD1 3.5Å; A263-N265 PolarHBondContact O-N 2.76Å; A263-N265 VanDerWaalsContact O-N 3.16Å; A263-G266 PolarHBondContact O-N 3.44Å; A263-R267 PolarHBondContact N-O 3.34Å; A263-A279 HydrophobicContact CB-CB 3.41Å; A263-A279 VanDerWaalsContact CB-CB 3.41Å; A263-T353 HydrophobicContact CB-CG2 3.79Å; A263-T353 WeakPolarHBondContact CB-OG1 3.12Å; A263-L372 HydrophobicContact CB-CD2 3.84Å | ||
| 264 | A | 92.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G266 E368 | A264-G266 PolarHBondContact O-N 3.32Å; A264-E368 HydrophobicContact CB-CG 4.33Å; A264-E368 WeakPolarHBondContact CB-O 3.38Å |
| 265 | N | 94.1 | Very high | 94.5 | Very high | 74 Ų | 74 | 34 Ų | 34 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2.7 | 174.8 | 70.5 | -2.9 | 0 | 0 | 0 | 114.3 | A263 R267 A279 | A263-N265 WeakPolarHBondContact CB-OD1 3.5Å; A263-N265 PolarHBondContact O-N 2.76Å; A263-N265 VanDerWaalsContact O-N 3.16Å; N265-R267 VanDerWaalsContact C-N 3.27Å; N265-R267 PolarHBondContact O-N 2.76Å; N265-R267 VanDerWaalsContact OD1-CB 3.29Å; N265-R267 WeakPolarHBondContact OD1-CB 3.44Å; N265-R267 PolarHBondContact OD1-N 3.23Å; N265-A279 PolarHBondContact ND2-O 2.8Å |
| 266 | G | 94.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 36 Ų | 36 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 75.3 | 9.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A263 A264 | A263-G266 PolarHBondContact O-N 3.44Å; A264-G266 PolarHBondContact O-N 3.32Å |
| 267 | R | 96.9 | Very high | 94.5 | Very high | 90 Ų | 90 | 34.3 Ų | 34.3 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -102.1 | 150.8 | -177.8 | -57.8 | -64 | 179.1 | 145.2 | -22.6 | 112.1 | I262 A263 N265 A279 Q281 E282 | I262-R267 WeakPolarHBondContact CA-O 3.28Å; A263-R267 PolarHBondContact N-O 3.34Å; N265-R267 VanDerWaalsContact C-N 3.27Å; N265-R267 PolarHBondContact O-N 2.76Å; N265-R267 VanDerWaalsContact OD1-CB 3.29Å; N265-R267 WeakPolarHBondContact OD1-CB 3.44Å; N265-R267 PolarHBondContact OD1-N 3.23Å; R267-A279 VanDerWaalsContact CB-C 3.46Å; R267-A279 HydrophobicContact CB-CB 4.36Å; R267-A279 VanDerWaalsContact CB-O 3.25Å; R267-A279 WeakPolarHBondContact CB-O 3.43Å; R267-Q281 WeakPolarHBondContact CA-O 3.3Å; R267-Q281 WeakPolarHBondContact CD-O 3.32Å; R267-E282 IonicContact CZ-OE1 2.71Å; R267-E282 VanDerWaalsContact NH1-CD 3.26Å; R267-E282 IonicContact NH1-OE1 3.83Å; R267-E282 PolarHBondContact NH1-OE1 2.95Å; R267-E282 IonicContact NH2-OE1 2.75Å; R267-E282 PolarHBondContact NH2-OE1 3.15Å |
| 268 | Y | 97.5 | Very high | 94.4 | Very high | 39 Ų | 39 | 34.2 Ų | 34.2 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.7 | 175.3 | -66.1 | -81.9 | 0 | 0 | 0 | 111.5 | V260 L261 I262 A279 N280 Q281 E282 E284 E288 | V260-Y268 HydrophobicContact CB-CD1 4.1Å; V260-Y268 HydrophobicContact CB-CE1 4.28Å; V260-Y268 HydrophobicContact CG2-CD1 4.22Å; V260-Y268 HydrophobicContact CG2-CE1 3.9Å; L261-Y268 WeakPolarHBondContact O-CA 3.48Å; I262-Y268 HydrophobicContact CD1-CD1 4.48Å; I262-Y268 HydrophobicContact CD1-CE1 3.78Å; I262-Y268 HydrophobicContact CG1-CD1 3.75Å; I262-Y268 HydrophobicContact CG1-CE1 3.54Å; Y268-A279 VanDerWaalsContact O-CA 3.29Å; Y268-A279 WeakPolarHBondContact O-CA 3.39Å; Y268-N280 PolarHBondContact O-N 3.14Å; Y268-Q281 PolarHBondContact N-O 3.2Å; Y268-Q281 PolarHBondContact O-N 3.29Å; Y268-E282 VanDerWaalsContact CE2-O 3.25Å; Y268-E282 WeakPolarHBondContact CE2-O 3.49Å; Y268-E284 HydrophobicContact CD1-CG 4.09Å; Y268-E284 HydrophobicContact CE1-CG 3.47Å; Y268-E284 VanDerWaalsContact CE1-CG 3.47Å; Y268-E284 HydrophobicContact CE2-CG 4.14Å; Y268-E284 PolarHBondContact OH-OE1 3.04Å; Y268-E288 HydrophobicContact CG-CG 4.48Å |
| 269 | V | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.9 | 167.6 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | L261 L277 A279 E288 F290 W311 L359 | L261-V269 HydrophobicContact CB-CB 4.07Å; L261-V269 HydrophobicContact CB-CG2 3.73Å; L261-V269 WeakPolarHBondContact O-CG2 3.48Å; L261-V269 PolarHBondContact O-N 3.42Å; V269-L277 HydrophobicContact CG1-CB 4.32Å; V269-L277 HydrophobicContact CG1-CD2 4.48Å; V269-A279 HydrophobicContact CG2-CB 4.17Å; V269-E288 WeakPolarHBondContact O-CA 3.31Å; V269-F290 HydrophobicContact CB-CE2 4.31Å; V269-F290 HydrophobicContact CG1-CE2 4.17Å; V269-F290 HydrophobicContact CG1-CZ 4.36Å; V269-F290 WeakPolarHBondContact O-CE2 3.39Å; V269-W311 HydrophobicContact CG1-CH2 3.73Å; V269-W311 HydrophobicContact CG1-CZ2 3.7Å; V269-L359 HydrophobicContact CB-CD2 4.49Å; V269-L359 HydrophobicContact CG1-CD1 4.1Å; V269-L359 HydrophobicContact CG1-CD2 3.62Å; V269-L359 HydrophobicContact CG2-CD1 4.2Å; V269-L359 HydrophobicContact CG2-CD2 3.98Å |
| 270 | S | 97 | Very high | 94.3 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.4 | -171.4 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | R272 L277 A278 Q281 T287 E288 | S270-R272 WeakPolarHBondContact OG-CB 3.29Å; S270-R272 PolarHBondContact OG-N 2.77Å; S270-L277 WeakPolarHBondContact O-CA 3.37Å; S270-A278 PolarHBondContact N-O 3.07Å; S270-A278 PolarHBondContact O-N 3.21Å; S270-A278 VanDerWaalsContact O-N 3.1Å; S270-Q281 VanDerWaalsContact CB-CG 3.47Å; S270-T287 WeakPolarHBondContact CA-O 3.49Å; S270-E288 WeakPolarHBondContact CB-OE1 3.2Å; S270-E288 PolarHBondContact OG-OE1 3.4Å |
| 271 | N | 93.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -101.9 | 15 | 165.7 | 72.1 | -21.5 | 0 | 0 | 0 | 113.7 | Q273 G274 L277 T287 S321 | N271-Q273 PolarHBondContact O-N 2.96Å; N271-G274 PolarHBondContact O-N 2.72Å; N271-G274 VanDerWaalsContact O-O 3.06Å; N271-L277 HydrophobicContact CB-CD2 3.87Å; N271-T287 PolarHBondContact N-O 2.92Å; N271-T287 VanDerWaalsContact OD1-CA 3.28Å; N271-T287 WeakPolarHBondContact OD1-CA 3.48Å; N271-T287 WeakPolarHBondContact OD1-CB 3.32Å; N271-T287 WeakPolarHBondContact OD1-CG2 3.06Å; N271-T287 PolarHBondContact OD1-O 3.38Å; N271-S321 WeakPolarHBondContact CB-OG 3.32Å |
| 272 | R | 91.5 | Very high | 94 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.9 | -177.4 | -169.5 | -177.4 | -62.1 | -178.3 | -6.5 | 113.7 | S270 G274 T285 T287 E288 | S270-R272 WeakPolarHBondContact OG-CB 3.29Å; S270-R272 PolarHBondContact OG-N 2.77Å; R272-G274 PolarHBondContact O-N 3.29Å; R272-T285 PolarHBondContact NH2-OG1 3.27Å; R272-T287 PolarHBondContact NE-OG1 3.37Å; R272-E288 IonicContact CZ-OE1 3.16Å; R272-E288 IonicContact NE-OE1 2.79Å; R272-E288 IonicContact NH2-OE1 2.72Å; R272-E288 IonicContact NH2-OE2 3.74Å; R272-E288 PolarHBondContact NH2-OE2 2.95Å |
| 273 | Q | 84.9 | Confident | 93.8 | Very high | 122 Ų | 122 | 47.1 Ų | 47.1 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 10.6 | -176.4 | -66.1 | -179.9 | -12.7 | 0 | 0 | 113.6 | N271 N280 | N271-Q273 PolarHBondContact O-N 2.96Å; Q273-N280 PolarHBondContact OE1-ND2 2.96Å |
| 274 | G | 84.9 | Confident | 93.6 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 119 | -147.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N271 R272 | N271-G274 PolarHBondContact O-N 2.72Å; N271-G274 VanDerWaalsContact O-O 3.06Å; R272-G274 PolarHBondContact O-N 3.29Å |
| 275 | V | 88.1 | Confident | 93.7 | Very high | 67 Ų | 67 | 51.4 Ų | 51.4 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -72.2 | -34 | -170.8 | 170.4 | 0 | 0 | 0 | 0 | 113 | Q320 S321 T322 | V275-Q320 HydrophobicContact CG1-CB 3.74Å; V275-Q320 HydrophobicContact CG1-CG 3.84Å; V275-Q320 CarbonylContact O-C 3.55Å; V275-Q320 WeakPolarHBondContact O-CA 3.39Å; V275-Q320 WeakPolarHBondContact O-CB 3.44Å; V275-S321 PolarHBondContact O-N 3.31Å; V275-T322 HydrophobicContact CB-CG2 4.15Å; V275-T322 HydrophobicContact CG1-CG2 3.34Å; V275-T322 HydrophobicContact CG2-CG2 3.84Å |
| 276 | S | 93.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -83.3 | 135.1 | -179.5 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 277 | L | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -76.2 | 137.3 | 176.2 | -66.7 | 164.7 | 0 | 0 | 0 | 110.9 | V269 S270 N271 F290 W311 V319 L359 | V269-L277 HydrophobicContact CG1-CB 4.32Å; V269-L277 HydrophobicContact CG1-CD2 4.48Å; S270-L277 WeakPolarHBondContact O-CA 3.37Å; N271-L277 HydrophobicContact CB-CD2 3.87Å; L277-F290 HydrophobicContact CD2-CE1 4.17Å; L277-F290 HydrophobicContact CD2-CZ 4.09Å; L277-W311 HydrophobicContact CD1-CB 4.38Å; L277-W311 HydrophobicContact CD1-CD2 3.27Å; L277-W311 HydrophobicContact CD1-CE3 3.82Å; L277-W311 HydrophobicContact CD1-CG 3.54Å; L277-W311 HydrophobicContact CD1-CH2 4.21Å; L277-W311 HydrophobicContact CD1-CZ2 3.75Å; L277-W311 HydrophobicContact CD1-CZ3 4.25Å; L277-W311 HydrophobicContact CD2-CZ2 4.32Å; L277-V319 HydrophobicContact CD1-CB 4.21Å; L277-V319 HydrophobicContact CD1-CG1 3.7Å; L277-V319 PolarHBondContact N-O 2.94Å; L277-L359 HydrophobicContact CB-CB 4.47Å; L277-L359 HydrophobicContact CB-CD2 4.39Å; L277-L359 PolarHBondContact O-N 3.4Å; L277-L359 VanDerWaalsContact O-N 3.09Å | ||
| 278 | A | 96.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S270 N280 G357 | S270-A278 PolarHBondContact N-O 3.07Å; S270-A278 PolarHBondContact O-N 3.21Å; S270-A278 VanDerWaalsContact O-N 3.1Å; A278-N280 WeakPolarHBondContact CB-ND2 3.43Å; A278-N280 PolarHBondContact O-N 2.82Å; A278-G357 CarbonylContact C-O 3.54Å; A278-G357 WeakPolarHBondContact CA-O 3.32Å |
| 279 | A | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 82.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A263 N265 R267 Y268 V269 T353 G357 L359 | A263-A279 HydrophobicContact CB-CB 3.41Å; A263-A279 VanDerWaalsContact CB-CB 3.41Å; N265-A279 PolarHBondContact ND2-O 2.8Å; R267-A279 VanDerWaalsContact CB-C 3.46Å; R267-A279 HydrophobicContact CB-CB 4.36Å; R267-A279 VanDerWaalsContact CB-O 3.25Å; R267-A279 WeakPolarHBondContact CB-O 3.43Å; Y268-A279 VanDerWaalsContact O-CA 3.29Å; Y268-A279 WeakPolarHBondContact O-CA 3.39Å; V269-A279 HydrophobicContact CG2-CB 4.17Å; A279-T353 HydrophobicContact CB-CG2 4.02Å; A279-G357 PolarHBondContact N-O 3.45Å; A279-L359 HydrophobicContact CB-CD1 4.27Å |
| 280 | N | 95.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | -4.3 | -172.1 | -75.4 | -25.4 | 0 | 0 | 0 | 114.4 | Y268 Q273 A278 N356 G357 | Y268-N280 PolarHBondContact O-N 3.14Å; Q273-N280 PolarHBondContact OE1-ND2 2.96Å; A278-N280 WeakPolarHBondContact CB-ND2 3.43Å; A278-N280 PolarHBondContact O-N 2.82Å; N280-N356 PolarHBondContact ND2-O 2.73Å; N280-N356 VanDerWaalsContact ND2-O 3.07Å; N280-N356 PolarHBondContact OD1-O 2.86Å; N280-G357 WeakPolarHBondContact OD1-CA 3.24Å |
| 281 | Q | 95.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 159.1 | -174.6 | -53.2 | -55 | -55.3 | 0 | 0 | 112.4 | R267 Y268 S270 E288 | R267-Q281 WeakPolarHBondContact CA-O 3.3Å; R267-Q281 WeakPolarHBondContact CD-O 3.32Å; Y268-Q281 PolarHBondContact N-O 3.2Å; Y268-Q281 PolarHBondContact O-N 3.29Å; S270-Q281 VanDerWaalsContact CB-CG 3.47Å; Q281-E288 HydrophobicContact CB-CG 4.15Å; Q281-E288 HydrophobicContact CG-CG 4.35Å |
| 282 | E | 94.5 | Very high | 93.9 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 59% | 0.593 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -107.6 | -13.9 | 176.6 | -60.3 | -175 | -178.1 | 0 | 0 | 113.2 | R267 Y268 | R267-E282 IonicContact CZ-OE1 2.71Å; R267-E282 VanDerWaalsContact NH1-CD 3.26Å; R267-E282 IonicContact NH1-OE1 3.83Å; R267-E282 PolarHBondContact NH1-OE1 2.95Å; R267-E282 IonicContact NH2-OE1 2.75Å; R267-E282 PolarHBondContact NH2-OE1 3.15Å; Y268-E282 VanDerWaalsContact CE2-O 3.25Å; Y268-E282 WeakPolarHBondContact CE2-O 3.49Å |
| 283 | D | 92.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -114.8 | 150.4 | -172.8 | -50.5 | -53.6 | 0 | 0 | 0 | 111.8 | T285 E288 | D283-T285 HydrophobicContact CB-CG2 4.39Å; D283-E288 WeakPolarHBondContact O-CG 3.39Å |
| 284 | E | 92.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 34.7 Ų | 34.7 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | trans | -92.7 | 103.7 | 173.6 | -65 | 179.4 | -164.4 | 0 | 0 | 109.9 | V260 Y268 K375 | V260-E284 HydrophobicContact CG1-CG 4.34Å; Y268-E284 HydrophobicContact CD1-CG 4.09Å; Y268-E284 HydrophobicContact CE1-CG 3.47Å; Y268-E284 VanDerWaalsContact CE1-CG 3.47Å; Y268-E284 HydrophobicContact CE2-CG 4.14Å; Y268-E284 PolarHBondContact OH-OE1 3.04Å; E284-K375 IonicContact OE1-NZ 2.75Å; E284-K375 PolarHBondContact OE1-NZ 2.88Å; E284-K375 IonicContact OE2-NZ 3.13Å; E284-K375 PolarHBondContact OE2-NZ 2.85Å | ||
| 285 | T | 93.5 | Very high | 95 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | trans | -126.1 | -174.7 | 173.4 | 78.6 | 0 | 0 | 0 | 0 | 111.8 | R272 D283 T287 E288 T289 | R272-T285 PolarHBondContact NH2-OG1 3.27Å; D283-T285 HydrophobicContact CB-CG2 4.39Å; T285-T287 PolarHBondContact O-N 2.89Å; T285-T287 VanDerWaalsContact O-N 3.13Å; T285-T287 PolarHBondContact OG1-N 3.13Å; T285-T287 PolarHBondContact OG1-OG1 3.5Å; T285-E288 WeakPolarHBondContact CB-OE2 3.47Å; T285-E288 PolarHBondContact N-OE2 3.11Å; T285-E288 VanDerWaalsContact N-OE2 3.14Å; T285-E288 PolarHBondContact O-N 2.96Å; T285-E288 VanDerWaalsContact O-N 3.08Å; T285-E288 PolarHBondContact OG1-OE2 3.12Å; T285-T289 PolarHBondContact O-N 2.85Å; T285-T289 PolarHBondContact O-OG1 3.17Å | ||
| 286 | D | 93.6 | Very high | 95 | Very high | 80 Ų | 80 | 38.5 Ų | 38.5 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.1 | 175.2 | -76.9 | -1 | 0 | 0 | 0 | 114 | S306 | D286-S306 WeakPolarHBondContact O-CB 3.27Å; D286-S306 PolarHBondContact O-OG 3.34Å |
| 287 | T | 94.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -16.4 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 114 | S270 N271 R272 T285 | S270-T287 WeakPolarHBondContact CA-O 3.49Å; N271-T287 PolarHBondContact N-O 2.92Å; N271-T287 VanDerWaalsContact OD1-CA 3.28Å; N271-T287 WeakPolarHBondContact OD1-CA 3.48Å; N271-T287 WeakPolarHBondContact OD1-CB 3.32Å; N271-T287 WeakPolarHBondContact OD1-CG2 3.06Å; N271-T287 PolarHBondContact OD1-O 3.38Å; R272-T287 PolarHBondContact NE-OG1 3.37Å; T285-T287 PolarHBondContact O-N 2.89Å; T285-T287 VanDerWaalsContact O-N 3.13Å; T285-T287 PolarHBondContact OG1-N 3.13Å; T285-T287 PolarHBondContact OG1-OG1 3.5Å |
| 288 | E | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -12 | 176.1 | -68.5 | 69 | -121.3 | 0 | 0 | 112.1 | Y268 V269 S270 R272 Q281 D283 T285 F290 | Y268-E288 HydrophobicContact CG-CG 4.48Å; V269-E288 WeakPolarHBondContact O-CA 3.31Å; S270-E288 WeakPolarHBondContact CB-OE1 3.2Å; S270-E288 PolarHBondContact OG-OE1 3.4Å; R272-E288 IonicContact CZ-OE1 3.16Å; R272-E288 IonicContact NE-OE1 2.79Å; R272-E288 IonicContact NH2-OE1 2.72Å; R272-E288 IonicContact NH2-OE2 3.74Å; R272-E288 PolarHBondContact NH2-OE2 2.95Å; Q281-E288 HydrophobicContact CB-CG 4.15Å; Q281-E288 HydrophobicContact CG-CG 4.35Å; D283-E288 WeakPolarHBondContact O-CG 3.39Å; T285-E288 WeakPolarHBondContact CB-OE2 3.47Å; T285-E288 PolarHBondContact N-OE2 3.11Å; T285-E288 VanDerWaalsContact N-OE2 3.14Å; T285-E288 PolarHBondContact O-N 2.96Å; T285-E288 VanDerWaalsContact O-N 3.08Å; T285-E288 PolarHBondContact OG1-OE2 3.12Å; E288-F290 WeakPolarHBondContact O-CD2 3.48Å; E288-F290 WeakPolarHBondContact O-CE2 3.49Å |
| 289 | T | 97.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.6 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | W167 Q258 T285 I377 | W167-T289 HydrophobicContact CZ2-CG2 4.07Å; W167-T289 VanDerWaalsContact CZ2-O 3.3Å; W167-T289 WeakPolarHBondContact CZ2-O 3.35Å; Q258-T289 HydrophobicContact CB-CG2 3.9Å; Q258-T289 HydrophobicContact CG-CG2 4.44Å; T285-T289 PolarHBondContact O-N 2.85Å; T285-T289 PolarHBondContact O-OG1 3.17Å; T289-I377 HydrophobicContact CG2-CD1 3.55Å; T289-I377 HydrophobicContact CG2-CG1 4.43Å; T289-I377 VanDerWaalsContact OG1-CD1 3.3Å; T289-I377 WeakPolarHBondContact OG1-CD1 3.15Å |
| 290 | F | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.6 | 174.9 | -54 | -73.6 | 0 | 0 | 0 | 111 | Q258 V259 V269 L277 E288 M292 F303 R304 T305 W311 | Q258-F290 CarbonylContact C-O 3.47Å; Q258-F290 WeakPolarHBondContact CA-O 3.49Å; V259-F290 PolarHBondContact N-O 2.93Å; V259-F290 PolarHBondContact O-N 3.42Å; V269-F290 HydrophobicContact CB-CE2 4.31Å; V269-F290 HydrophobicContact CG1-CE2 4.17Å; V269-F290 HydrophobicContact CG1-CZ 4.36Å; V269-F290 WeakPolarHBondContact O-CE2 3.39Å; L277-F290 HydrophobicContact CD2-CE1 4.17Å; L277-F290 HydrophobicContact CD2-CZ 4.09Å; E288-F290 WeakPolarHBondContact O-CD2 3.48Å; E288-F290 WeakPolarHBondContact O-CE2 3.49Å; F290-M292 PolarHBondContact O-N 3.03Å; F290-F303 HydrophobicContact CB-CB 4.25Å; F290-F303 HydrophobicContact CB-CD1 4.25Å; F290-R304 CarbonylContact C-O 3.55Å; F290-R304 VanDerWaalsContact CA-O 3.25Å; F290-R304 WeakPolarHBondContact CA-O 3.45Å; F290-T305 HydrophobicContact CD1-CG2 4.09Å; F290-T305 HydrophobicContact CE1-CG2 4.05Å; F290-W311 AromaticContact CD1-CE2 3.87Å; F290-W311 HydrophobicContact CD1-CZ2 4.12Å; F290-W311 AromaticContact CD1-NE1 3.11Å; F290-W311 AromaticContact CD2-CZ2 3.71Å; F290-W311 HydrophobicContact CD2-CZ2 3.71Å; F290-W311 AromaticContact CE1-CE2 3.91Å; F290-W311 HydrophobicContact CE1-CZ2 4.04Å; F290-W311 AromaticContact CE1-NE1 3.16Å; F290-W311 AromaticContact CE2-CZ2 3.62Å; F290-W311 HydrophobicContact CE2-CZ2 3.62Å; F290-W311 AromaticContact CG-CZ2 3.96Å; F290-W311 HydrophobicContact CG-CZ2 3.96Å; F290-W311 AromaticContact CG-NE1 3.72Å; F290-W311 AromaticContact CZ-CZ2 3.79Å; F290-W311 HydrophobicContact CZ-CZ2 3.79Å; F290-W311 AromaticContact CZ-NE1 3.81Å |
| 291 | Q | 97.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.1 | 172.7 | 179.7 | 169.1 | -70.8 | 0 | 0 | 109.2 | W167 H256 P257 Q258 E293 F303 R304 | W167-Q291 HydrophobicContact CH2-CB 3.53Å; W167-Q291 HydrophobicContact CZ3-CB 3.6Å; H256-Q291 HydrophobicContact CB-CG 3.62Å; P257-Q291 WeakPolarHBondContact O-CA 3.35Å; Q258-Q291 HydrophobicContact CG-CB 4.06Å; Q258-Q291 HydrophobicContact CG-CG 4.39Å; Q291-E293 HydrophobicContact CG-CG 4Å; Q291-E293 PolarHBondContact NE2-OE1 2.68Å; Q291-F303 WeakPolarHBondContact O-CA 3.47Å; Q291-R304 HydrophobicContact CB-CB 4.24Å; Q291-R304 PolarHBondContact N-O 2.98Å; Q291-R304 PolarHBondContact O-N 3.36Å |
| 292 | M | 97.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.8 | 178.7 | -176 | 177.3 | 173.2 | 0 | 0 | 109.4 | P257 V259 F290 I294 C301 T302 F303 V334 L374 L451 | P257-M292 HydrophobicContact CG-CB 4.35Å; P257-M292 WeakPolarHBondContact CG-O 3.4Å; P257-M292 PolarHBondContact O-N 2.81Å; V259-M292 HydrophobicContact CG1-CB 4.48Å; V259-M292 HydrophobicContact CG2-CB 4.34Å; F290-M292 PolarHBondContact O-N 3.03Å; M292-I294 HydrophobicContact CE-CD1 4.11Å; M292-I294 HydrophobicContact CE-CG1 4.05Å; M292-C301 HydrophobicContact CE-CB 3.66Å; M292-C301 HydrophobicContact CG-CB 3.95Å; M292-T302 WeakPolarHBondContact CA-O 3.31Å; M292-F303 HydrophobicContact CB-CD1 4.28Å; M292-F303 HydrophobicContact CB-CE1 4.12Å; M292-F303 HydrophobicContact CG-CD1 4.43Å; M292-F303 HydrophobicContact CG-CE1 3.93Å; M292-F303 HydrophobicContact CG-CZ 4.48Å; M292-F303 HydrophobicContact SD-CE1 4.15Å; M292-V334 HydrophobicContact CE-CG2 3.88Å; M292-L374 HydrophobicContact SD-CD1 4.16Å; M292-L451 HydrophobicContact CE-CB 4.12Å; M292-L451 HydrophobicContact SD-CB 4.16Å; M292-L451 HydrophobicContact SD-CD1 3.58Å; M292-L451 VanDerWaalsContact SD-CD1 3.58Å |
| 293 | E | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109 | -178.1 | -57.2 | 174.7 | 173.4 | 0 | 0 | 109.1 | Q291 C301 T302 R326 | Q291-E293 HydrophobicContact CG-CG 4Å; Q291-E293 PolarHBondContact NE2-OE1 2.68Å; E293-C301 CarbonylContact O-C 3.51Å; E293-C301 VanDerWaalsContact O-CA 3.3Å; E293-C301 WeakPolarHBondContact O-CA 3.25Å; E293-T302 PolarHBondContact N-O 2.82Å; E293-T302 PolarHBondContact O-N 3.29Å; E293-R326 IonicContact OE2-CZ 3.02Å; E293-R326 IonicContact OE2-NE 2.71Å; E293-R326 PolarHBondContact OE2-NE 3.37Å; E293-R326 IonicContact OE2-NH2 2.65Å; E293-R326 PolarHBondContact OE2-NH2 2.91Å |
| 294 | I | 94.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129 | 179.7 | -58.9 | 165.5 | 0 | 0 | 0 | 109.3 | M292 C301 L451 R454 | M292-I294 HydrophobicContact CE-CD1 4.11Å; M292-I294 HydrophobicContact CE-CG1 4.05Å; I294-C301 HydrophobicContact CG1-CB 4.13Å; I294-L451 HydrophobicContact CD1-CB 4.05Å; I294-L451 WeakPolarHBondContact CD1-O 3.07Å; I294-R454 WeakPolarHBondContact O-CB 3.48Å |
| 295 | D | 92.6 | Very high | 95 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 19% | 0.193 | C | C | . | . | trans | -72.8 | 138.6 | 174.9 | -178.5 | -108.3 | 0 | 0 | 0 | 111.2 | D297 T298 K299 M300 M331 | D295-D297 VanDerWaalsContact C-N 3.32Å; D295-D297 PolarHBondContact O-N 3.46Å; D295-D297 PolarHBondContact OD1-N 2.86Å; D295-T298 WeakPolarHBondContact CB-OG1 3.47Å; D295-T298 WeakPolarHBondContact OD1-CB 3.48Å; D295-T298 WeakPolarHBondContact OD1-CG2 3.21Å; D295-T298 PolarHBondContact OD1-N 2.86Å; D295-T298 PolarHBondContact OD1-OG1 2.92Å; D295-K299 WeakPolarHBondContact O-CA 3.34Å; D295-K299 PolarHBondContact O-N 3.11Å; D295-M300 WeakPolarHBondContact CB-O 3.22Å; D295-M300 PolarHBondContact N-O 2.88Å; D295-M331 HydrophobicContact CB-CE 3.81Å | ||
| 296 | R | 89.1 | Confident | 95 | Very high | 145 Ų | 145 | 37.5 Ų | 37.5 | 55% | 0.547 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -35.7 | -171.8 | -72 | -176 | -178.8 | -91.6 | -2.2 | 112.2 | K299 R454 | R296-K299 PolarHBondContact O-NZ 2.82Å; R296-K299 VanDerWaalsContact O-NZ 3.17Å; R296-R454 HydrophobicContact CG-CB 4.18Å |
| 297 | D | 89.5 | Confident | 94.9 | Very high | 146 Ų | 146 | 39.7 Ų | 39.7 | 78% | 0.781 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -50.5 | -169.4 | -57.8 | -34.9 | 0 | 0 | 0 | 111 | D295 | D295-D297 VanDerWaalsContact C-N 3.32Å; D295-D297 PolarHBondContact O-N 3.46Å; D295-D297 PolarHBondContact OD1-N 2.86Å |
| 298 | T | 91.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.2 | -176.4 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | D295 M300 M331 | D295-T298 WeakPolarHBondContact CB-OG1 3.47Å; D295-T298 WeakPolarHBondContact OD1-CB 3.48Å; D295-T298 WeakPolarHBondContact OD1-CG2 3.21Å; D295-T298 PolarHBondContact OD1-N 2.86Å; D295-T298 PolarHBondContact OD1-OG1 2.92Å; T298-M300 PolarHBondContact O-N 2.85Å; T298-M300 PolarHBondContact OG1-N 3.48Å; T298-M331 WeakPolarHBondContact OG1-CE 3.4Å |
| 299 | K | 91.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 42.4 Ų | 42.4 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | trans | 59.4 | 7.2 | -171.7 | -49 | -56.4 | -169.8 | -178.8 | 0 | 114.8 | D295 R296 E453 | D295-K299 WeakPolarHBondContact O-CA 3.34Å; D295-K299 PolarHBondContact O-N 3.11Å; R296-K299 PolarHBondContact O-NZ 2.82Å; R296-K299 VanDerWaalsContact O-NZ 3.17Å; K299-E453 IonicContact NZ-OE1 2.86Å; K299-E453 PolarHBondContact NZ-OE1 3.38Å | ||
| 300 | M | 95.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | trans | -73.2 | 149 | 172.5 | -58.9 | -69.3 | -77.6 | 0 | 0 | 109.4 | D295 T298 M331 F332 | D295-M300 WeakPolarHBondContact CB-O 3.22Å; D295-M300 PolarHBondContact N-O 2.88Å; T298-M300 PolarHBondContact O-N 2.85Å; T298-M300 PolarHBondContact OG1-N 3.48Å; M300-M331 HydrophobicContact CB-CB 4.16Å; M300-M331 HydrophobicContact CB-CE 3.74Å; M300-M331 HydrophobicContact CB-SD 4.34Å; M300-M331 HydrophobicContact CE-CB 4.33Å; M300-M331 HydrophobicContact CG-CE 4.49Å; M300-F332 CarbonylContact C-O 3.57Å; M300-F332 WeakPolarHBondContact CA-O 3.39Å | ||
| 301 | C | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 151 | 176 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | M292 E293 I294 F303 F332 V334 | M292-C301 HydrophobicContact CE-CB 3.66Å; M292-C301 HydrophobicContact CG-CB 3.95Å; E293-C301 CarbonylContact O-C 3.51Å; E293-C301 VanDerWaalsContact O-CA 3.3Å; E293-C301 WeakPolarHBondContact O-CA 3.25Å; I294-C301 HydrophobicContact CG1-CB 4.13Å; C301-F303 VanDerWaalsContact SG-CE2 3.54Å; C301-F332 PolarHBondContact N-O 3.04Å; C301-F332 PolarHBondContact O-N 2.89Å; C301-F332 PolarHBondContact SG-O 2.89Å; C301-V334 VanDerWaalsContact SG-CG2 3.55Å |
| 302 | T | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.1 | 162.3 | 69.9 | 0 | 0 | 0 | 0 | 109.2 | M292 E293 R326 T330 M331 | M292-T302 WeakPolarHBondContact CA-O 3.31Å; E293-T302 PolarHBondContact N-O 2.82Å; E293-T302 PolarHBondContact O-N 3.29Å; T302-R326 HydrophobicContact CG2-CG 4.31Å; T302-T330 WeakPolarHBondContact CG2-O 3.24Å; T302-M331 HydrophobicContact CG2-CG 4.49Å; T302-M331 HydrophobicContact CG2-SD 3.4Å; T302-M331 WeakPolarHBondContact CG2-SD 3.41Å |
| 303 | F | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 111.7 | 174.3 | -63.8 | -81.2 | 0 | 0 | 0 | 108.7 | V259 L261 F290 Q291 M292 C301 Y310 W311 F332 I343 | V259-F303 HydrophobicContact CG2-CD1 4.4Å; V259-F303 HydrophobicContact CG2-CE1 4.19Å; L261-F303 HydrophobicContact CD1-CE1 4.29Å; F290-F303 HydrophobicContact CB-CB 4.25Å; F290-F303 HydrophobicContact CB-CD1 4.25Å; Q291-F303 WeakPolarHBondContact O-CA 3.47Å; M292-F303 HydrophobicContact CB-CD1 4.28Å; M292-F303 HydrophobicContact CB-CE1 4.12Å; M292-F303 HydrophobicContact CG-CD1 4.43Å; M292-F303 HydrophobicContact CG-CE1 3.93Å; M292-F303 HydrophobicContact CG-CZ 4.48Å; M292-F303 HydrophobicContact SD-CE1 4.15Å; C301-F303 VanDerWaalsContact SG-CE2 3.54Å; F303-Y310 CarbonylContact O-C 3.41Å; F303-Y310 WeakPolarHBondContact O-CA 3.47Å; F303-W311 HydrophobicContact CB-CB 4.06Å; F303-W311 HydrophobicContact CB-CD2 3.6Å; F303-W311 HydrophobicContact CB-CE3 4.17Å; F303-W311 HydrophobicContact CB-CG 3.53Å; F303-W311 HydrophobicContact CD2-CD2 4.04Å; F303-W311 AromaticContact CD2-CE3 3.71Å; F303-W311 HydrophobicContact CD2-CE3 3.71Å; F303-W311 HydrophobicContact CD2-CG 4.5Å; F303-W311 HydrophobicContact CD2-CZ3 4.19Å; F303-W311 HydrophobicContact CE2-CE3 4.4Å; F303-W311 HydrophobicContact CG-CD2 4.03Å; F303-W311 HydrophobicContact CG-CE3 4.1Å; F303-W311 HydrophobicContact CG-CG 4.4Å; F303-W311 PolarHBondContact O-N 3.38Å; F303-F332 HydrophobicContact CD2-CD2 4Å; F303-F332 HydrophobicContact CD2-CE2 4.49Å; F303-F332 HydrophobicContact CE2-CB 4.28Å; F303-F332 HydrophobicContact CE2-CD2 4.3Å; F303-F332 HydrophobicContact CE2-CG 4.41Å; F303-I343 HydrophobicContact CE2-CD1 4.14Å; F303-I343 HydrophobicContact CE2-CG2 4.38Å; F303-I343 HydrophobicContact CZ-CD1 3.96Å |
| 304 | R | 97.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 151.3 | 177 | -165.7 | 176.1 | 180 | -163.5 | -9.7 | 110 | W167 F290 Q291 F309 Y310 | W167-R304 WeakPolarHBondContact CH2-O 3.4Å; F290-R304 CarbonylContact C-O 3.55Å; F290-R304 VanDerWaalsContact CA-O 3.25Å; F290-R304 WeakPolarHBondContact CA-O 3.45Å; Q291-R304 HydrophobicContact CB-CB 4.24Å; Q291-R304 PolarHBondContact N-O 2.98Å; Q291-R304 PolarHBondContact O-N 3.36Å; R304-F309 CarbonylContact C-O 3.6Å; R304-F309 VanDerWaalsContact CA-O 3.27Å; R304-F309 WeakPolarHBondContact CA-O 3.42Å; R304-F309 WeakPolarHBondContact CG-O 3.3Å; R304-Y310 HydrophobicContact CB-CD1 3.96Å; R304-Y310 HydrophobicContact CB-CE1 3.84Å; R304-Y310 HydrophobicContact CG-CD1 4.23Å; R304-Y310 HydrophobicContact CG-CE1 3.96Å |
| 305 | T | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -102.4 | 166.7 | 176.2 | 71 | 0 | 0 | 0 | 0 | 111.8 | W167 F290 Q307 G308 F309 | W167-T305 WeakPolarHBondContact CH2-O 3.18Å; F290-T305 HydrophobicContact CD1-CG2 4.09Å; F290-T305 HydrophobicContact CE1-CG2 4.05Å; T305-Q307 PolarHBondContact O-N 3.16Å; T305-Q307 VanDerWaalsContact O-N 3.13Å; T305-Q307 PolarHBondContact OG1-N 3.38Å; T305-G308 WeakPolarHBondContact O-CA 3.25Å; T305-G308 PolarHBondContact O-N 2.86Å; T305-F309 PolarHBondContact N-O 3.38Å; T305-F309 PolarHBondContact OG1-N 3.43Å; T305-F309 PolarHBondContact OG1-O 3.39Å | ||
| 306 | S | 94 | Very high | 94.7 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.5 | 172.6 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | I165 D286 G308 | I165-S306 WeakPolarHBondContact CD1-O 3.3Å; D286-S306 WeakPolarHBondContact O-CB 3.27Å; D286-S306 PolarHBondContact O-OG 3.34Å; S306-G308 VanDerWaalsContact C-N 3.34Å |
| 307 | Q | 92.3 | Very high | 95 | Very high | 126 Ų | 126 | 47 Ų | 47 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.3 | 175.7 | -63.4 | 173.1 | 9.9 | 0 | 0 | 112.5 | T305 F309 | T305-Q307 PolarHBondContact O-N 3.16Å; T305-Q307 VanDerWaalsContact O-N 3.13Å; T305-Q307 PolarHBondContact OG1-N 3.38Å; Q307-F309 HydrophobicContact CB-CD2 3.71Å; Q307-F309 HydrophobicContact CB-CE2 3.81Å |
| 308 | G | 92.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 85.9 | 6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T305 S306 | T305-G308 WeakPolarHBondContact O-CA 3.25Å; T305-G308 PolarHBondContact O-N 2.86Å; S306-G308 VanDerWaalsContact C-N 3.34Å |
| 309 | F | 95.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | trans | -83.7 | 160.1 | 173.4 | -57.6 | -69.2 | 0 | 0 | 0 | 111.5 | R304 T305 Q307 S321 A323 T324 | R304-F309 CarbonylContact C-O 3.6Å; R304-F309 VanDerWaalsContact CA-O 3.27Å; R304-F309 WeakPolarHBondContact CA-O 3.42Å; R304-F309 WeakPolarHBondContact CG-O 3.3Å; T305-F309 PolarHBondContact N-O 3.38Å; T305-F309 PolarHBondContact OG1-N 3.43Å; T305-F309 PolarHBondContact OG1-O 3.39Å; Q307-F309 HydrophobicContact CB-CD2 3.71Å; Q307-F309 HydrophobicContact CB-CE2 3.81Å; F309-S321 WeakPolarHBondContact CB-O 3.3Å; F309-S321 WeakPolarHBondContact CG-O 2.96Å; F309-A323 CarbonylContact C-O 3.59Å; F309-A323 VanDerWaalsContact CA-O 3.27Å; F309-A323 WeakPolarHBondContact CA-O 3.48Å; F309-T324 HydrophobicContact CD1-CG2 3.86Å; F309-T324 HydrophobicContact CE1-CG2 3.73Å | ||
| 310 | Y | 97.2 | Very high | 95.8 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.3 | 173.9 | -63 | -88.2 | 0 | 0 | 0 | 110.9 | F303 R304 A323 R326 | F303-Y310 CarbonylContact O-C 3.41Å; F303-Y310 WeakPolarHBondContact O-CA 3.47Å; R304-Y310 HydrophobicContact CB-CD1 3.96Å; R304-Y310 HydrophobicContact CB-CE1 3.84Å; R304-Y310 HydrophobicContact CG-CD1 4.23Å; R304-Y310 HydrophobicContact CG-CE1 3.96Å; Y310-A323 PolarHBondContact N-O 2.8Å; Y310-A323 PolarHBondContact O-N 3.27Å; Y310-R326 HydrophobicContact CE1-CG 4.14Å; Y310-R326 HydrophobicContact CE2-CG 4.32Å |
| 311 | W | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 136.7 | 161.8 | -72.7 | 27.1 | 0 | 0 | 0 | 109.5 | L261 V269 L277 F290 F303 V319 Q320 T330 F332 L359 | L261-W311 HydrophobicContact CD1-CH2 3.35Å; L261-W311 HydrophobicContact CD1-CZ2 4.02Å; L261-W311 HydrophobicContact CD1-CZ3 4.03Å; V269-W311 HydrophobicContact CG1-CH2 3.73Å; V269-W311 HydrophobicContact CG1-CZ2 3.7Å; L277-W311 HydrophobicContact CD1-CB 4.38Å; L277-W311 HydrophobicContact CD1-CD2 3.27Å; L277-W311 HydrophobicContact CD1-CE3 3.82Å; L277-W311 HydrophobicContact CD1-CG 3.54Å; L277-W311 HydrophobicContact CD1-CH2 4.21Å; L277-W311 HydrophobicContact CD1-CZ2 3.75Å; L277-W311 HydrophobicContact CD1-CZ3 4.25Å; L277-W311 HydrophobicContact CD2-CZ2 4.32Å; F290-W311 AromaticContact CD1-CE2 3.87Å; F290-W311 HydrophobicContact CD1-CZ2 4.12Å; F290-W311 AromaticContact CD1-NE1 3.11Å; F290-W311 AromaticContact CD2-CZ2 3.71Å; F290-W311 HydrophobicContact CD2-CZ2 3.71Å; F290-W311 AromaticContact CE1-CE2 3.91Å; F290-W311 HydrophobicContact CE1-CZ2 4.04Å; F290-W311 AromaticContact CE1-NE1 3.16Å; F290-W311 AromaticContact CE2-CZ2 3.62Å; F290-W311 HydrophobicContact CE2-CZ2 3.62Å; F290-W311 AromaticContact CG-CZ2 3.96Å; F290-W311 HydrophobicContact CG-CZ2 3.96Å; F290-W311 AromaticContact CG-NE1 3.72Å; F290-W311 AromaticContact CZ-CZ2 3.79Å; F290-W311 HydrophobicContact CZ-CZ2 3.79Å; F290-W311 AromaticContact CZ-NE1 3.81Å; F303-W311 HydrophobicContact CB-CB 4.06Å; F303-W311 HydrophobicContact CB-CD2 3.6Å; F303-W311 HydrophobicContact CB-CE3 4.17Å; F303-W311 HydrophobicContact CB-CG 3.53Å; F303-W311 HydrophobicContact CD2-CD2 4.04Å; F303-W311 AromaticContact CD2-CE3 3.71Å; F303-W311 HydrophobicContact CD2-CE3 3.71Å; F303-W311 HydrophobicContact CD2-CG 4.5Å; F303-W311 HydrophobicContact CD2-CZ3 4.19Å; F303-W311 HydrophobicContact CE2-CE3 4.4Å; F303-W311 HydrophobicContact CG-CD2 4.03Å; F303-W311 HydrophobicContact CG-CE3 4.1Å; F303-W311 HydrophobicContact CG-CG 4.4Å; F303-W311 PolarHBondContact O-N 3.38Å; W311-V319 HydrophobicContact CB-CG1 4.19Å; W311-V319 HydrophobicContact CD2-CG1 4.42Å; W311-V319 HydrophobicContact CE3-CG1 4.07Å; W311-Q320 CarbonylContact C-O 3.48Å; W311-Q320 VanDerWaalsContact CA-O 3.28Å; W311-Q320 WeakPolarHBondContact CA-O 3.5Å; W311-T330 WeakPolarHBondContact O-CA 3.45Å; W311-T330 VanDerWaalsContact O-CB 3.26Å; W311-T330 WeakPolarHBondContact O-CB 3.42Å; W311-T330 WeakPolarHBondContact O-CG2 3.37Å; W311-F332 HydrophobicContact CB-CE2 3.71Å; W311-F332 HydrophobicContact CB-CZ 3.98Å; W311-L359 HydrophobicContact CH2-CD2 4.02Å; W311-L359 HydrophobicContact CZ3-CD2 4.17Å |
| 312 | A | 97.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 131.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V319 Q320 A323 N329 T330 | A312-V319 WeakPolarHBondContact O-CA 3.26Å; A312-Q320 PolarHBondContact N-O 2.68Å; A312-Q320 PolarHBondContact O-N 2.76Å; A312-A323 HydrophobicContact CB-CB 3.83Å; A312-N329 CarbonylContact C-O 3.5Å; A312-N329 WeakPolarHBondContact CA-O 3.23Å; A312-T330 HydrophobicContact CB-CG2 4.07Å |
| 313 | L | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.1 | 166.4 | -179.6 | 67.1 | 0 | 0 | 0 | 110 | N329 A345 S346 N347 A361 | L313-N329 HydrophobicContact CB-CB 4.39Å; L313-N329 PolarHBondContact N-O 2.79Å; L313-A345 HydrophobicContact CD1-CB 4.33Å; L313-A345 HydrophobicContact CD2-CB 4.12Å; L313-S346 WeakPolarHBondContact CD2-OG 3.28Å; L313-N347 HydrophobicContact CD2-CB 3.63Å; L313-A361 HydrophobicContact CD1-CB 3.71Å |
| 314 | V | 96.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | trans | -110.6 | 164 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | H316 G317 G318 Q320 | V314-H316 WeakPolarHBondContact CG2-CE1 3.4Å; V314-H316 PolarHBondContact O-N 3.01Å; V314-G317 PolarHBondContact O-N 3.11Å; V314-G318 VanDerWaalsContact CG2-O 3.27Å; V314-G318 WeakPolarHBondContact CG2-O 3.17Å; V314-G318 PolarHBondContact N-O 3.47Å; V314-Q320 HydrophobicContact CG1-CB 4.27Å; V314-Q320 HydrophobicContact CG1-CG 4.02Å; V314-Q320 HydrophobicContact CG2-CG 4.14Å | ||
| 315 | A | 94.3 | Very high | 95.1 | Very high | 116 Ų | 116 | 45 Ų | 45 | 96% | 0.959 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G317 | A315-G317 VanDerWaalsContact C-N 3.26Å; A315-G317 PolarHBondContact O-N 2.93Å |
| 316 | H | 91.6 | Very high | 95 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 60% | 0.597 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 12.3 | 178 | 62.7 | -92.5 | 0 | 0 | 0 | 113.6 | V314 G318 | V314-H316 WeakPolarHBondContact CG2-CE1 3.4Å; V314-H316 PolarHBondContact O-N 3.01Å; H316-G318 VanDerWaalsContact C-N 3.34Å; H316-G318 PolarHBondContact O-N 3.5Å |
| 317 | G | 94.7 | Very high | 95 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 85.8 | -3.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V314 A315 L360 A361 | V314-G317 PolarHBondContact O-N 3.11Å; A315-G317 VanDerWaalsContact C-N 3.26Å; A315-G317 PolarHBondContact O-N 2.93Å; G317-L360 CarbonylContact O-C 3.59Å; G317-L360 WeakPolarHBondContact O-CA 3.3Å; G317-A361 PolarHBondContact O-N 2.93Å |
| 318 | G | 96.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 156.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | V314 H316 L360 | V314-G318 VanDerWaalsContact CG2-O 3.27Å; V314-G318 WeakPolarHBondContact CG2-O 3.17Å; V314-G318 PolarHBondContact N-O 3.47Å; H316-G318 VanDerWaalsContact C-N 3.34Å; H316-G318 PolarHBondContact O-N 3.5Å; G318-L360 VanDerWaalsContact CA-CD2 3.44Å |
| 319 | V | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.7 | 170.9 | -164.4 | 0 | 0 | 0 | 0 | 109.5 | L277 W311 A312 F332 I351 L359 | L277-V319 HydrophobicContact CD1-CB 4.21Å; L277-V319 HydrophobicContact CD1-CG1 3.7Å; L277-V319 PolarHBondContact N-O 2.94Å; W311-V319 HydrophobicContact CB-CG1 4.19Å; W311-V319 HydrophobicContact CD2-CG1 4.42Å; W311-V319 HydrophobicContact CE3-CG1 4.07Å; A312-V319 WeakPolarHBondContact O-CA 3.26Å; V319-F332 HydrophobicContact CG1-CE1 4.32Å; V319-F332 HydrophobicContact CG1-CZ 4.01Å; V319-I351 HydrophobicContact CG2-CD1 4.02Å; V319-I351 HydrophobicContact CG2-CG1 4.22Å; V319-L359 HydrophobicContact CB-CB 4.45Å; V319-L359 HydrophobicContact CG2-CB 4.46Å; V319-L359 PolarHBondContact N-O 3.17Å |
| 320 | Q | 96.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157.8 | -175.7 | -65.9 | -172.9 | -6.9 | 0 | 0 | 111.5 | V275 W311 A312 V314 | V275-Q320 HydrophobicContact CG1-CB 3.74Å; V275-Q320 HydrophobicContact CG1-CG 3.84Å; V275-Q320 CarbonylContact O-C 3.55Å; V275-Q320 WeakPolarHBondContact O-CA 3.39Å; V275-Q320 WeakPolarHBondContact O-CB 3.44Å; W311-Q320 CarbonylContact C-O 3.48Å; W311-Q320 VanDerWaalsContact CA-O 3.28Å; W311-Q320 WeakPolarHBondContact CA-O 3.5Å; A312-Q320 PolarHBondContact N-O 2.68Å; A312-Q320 PolarHBondContact O-N 2.76Å; V314-Q320 HydrophobicContact CG1-CB 4.27Å; V314-Q320 HydrophobicContact CG1-CG 4.02Å; V314-Q320 HydrophobicContact CG2-CG 4.14Å |
| 321 | S | 94.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 55.4 | 178.5 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | N271 V275 F309 | N271-S321 WeakPolarHBondContact CB-OG 3.32Å; V275-S321 PolarHBondContact O-N 3.31Å; F309-S321 WeakPolarHBondContact CB-O 3.3Å; F309-S321 WeakPolarHBondContact CG-O 2.96Å |
| 322 | T | 92.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 51 Ų | 51 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | -11.3 | -177.4 | 41.1 | 0 | 0 | 0 | 0 | 114.7 | V275 T324 | V275-T322 HydrophobicContact CB-CG2 4.15Å; V275-T322 HydrophobicContact CG1-CG2 3.34Å; V275-T322 HydrophobicContact CG2-CG2 3.84Å; T322-T324 PolarHBondContact O-N 3.26Å |
| 323 | A | 94.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F309 Y310 A312 T330 | F309-A323 CarbonylContact C-O 3.59Å; F309-A323 VanDerWaalsContact CA-O 3.27Å; F309-A323 WeakPolarHBondContact CA-O 3.48Å; Y310-A323 PolarHBondContact N-O 2.8Å; Y310-A323 PolarHBondContact O-N 3.27Å; A312-A323 HydrophobicContact CB-CB 3.83Å; A323-T330 HydrophobicContact CB-CG2 3.6Å |
| 324 | T | 94.3 | Very high | 95.4 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -91.5 | -12.8 | 177.8 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | F309 T322 | F309-T324 HydrophobicContact CD1-CG2 3.86Å; F309-T324 HydrophobicContact CE1-CG2 3.73Å; T322-T324 PolarHBondContact O-N 3.26Å |
| 325 | Q | 93.6 | Very high | 95.4 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -137.1 | 154.6 | -178.2 | -63.9 | -175.7 | -4.7 | 0 | 0 | 110.1 | ||
| 326 | R | 94.1 | Very high | 95.4 | Very high | 129 Ų | 129 | 52.4 Ų | 52.4 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -72.1 | 139.2 | 174 | -59.7 | -174.8 | -171.9 | 166 | 4.8 | 110.1 | E293 T302 Y310 T330 | E293-R326 IonicContact OE2-CZ 3.02Å; E293-R326 IonicContact OE2-NE 2.71Å; E293-R326 PolarHBondContact OE2-NE 3.37Å; E293-R326 IonicContact OE2-NH2 2.65Å; E293-R326 PolarHBondContact OE2-NH2 2.91Å; T302-R326 HydrophobicContact CG2-CG 4.31Å; Y310-R326 HydrophobicContact CE1-CG 4.14Å; Y310-R326 HydrophobicContact CE2-CG 4.32Å; R326-T330 WeakPolarHBondContact CA-OG1 3.4Å | ||
| 327 | S | 94.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 48.8 Ų | 48.8 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | trans | -150.8 | 175.7 | 174.3 | 67.7 | 0 | 0 | 0 | 0 | 109.4 | N329 T330 M331 | S327-N329 PolarHBondContact O-N 2.85Å; S327-N329 VanDerWaalsContact O-N 3.11Å; S327-N329 PolarHBondContact OG-N 2.9Å; S327-T330 PolarHBondContact N-OG1 2.82Å; S327-T330 PolarHBondContact O-N 3.44Å; S327-T330 PolarHBondContact O-OG1 2.98Å; S327-M331 VanDerWaalsContact O-CG 3.29Å; S327-M331 WeakPolarHBondContact O-CG 3.34Å | ||
| 328 | A | 95.3 | Very high | 95 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -52.4 | -36.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T330 M331 S346 | A328-T330 VanDerWaalsContact C-N 3.28Å; A328-T330 PolarHBondContact O-N 3.14Å; A328-M331 PolarHBondContact O-N 2.87Å; A328-S346 WeakPolarHBondContact O-CB 3.38Å |
| 329 | N | 97 | Very high | 94.7 | Very high | 76 Ų | 76 | 55 Ų | 55 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -75.5 | -12.9 | -179 | -68.2 | -15.5 | 0 | 0 | 0 | 114.3 | A312 L313 S327 S346 | A312-N329 CarbonylContact C-O 3.5Å; A312-N329 WeakPolarHBondContact CA-O 3.23Å; L313-N329 HydrophobicContact CB-CB 4.39Å; L313-N329 PolarHBondContact N-O 2.79Å; S327-N329 PolarHBondContact O-N 2.85Å; S327-N329 VanDerWaalsContact O-N 3.11Å; S327-N329 PolarHBondContact OG-N 2.9Å; N329-S346 PolarHBondContact OD1-OG 2.84Å |
| 330 | T | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -95.3 | 1 | 175.2 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | T302 W311 A312 A323 R326 S327 A328 F332 | T302-T330 WeakPolarHBondContact CG2-O 3.24Å; W311-T330 WeakPolarHBondContact O-CA 3.45Å; W311-T330 VanDerWaalsContact O-CB 3.26Å; W311-T330 WeakPolarHBondContact O-CB 3.42Å; W311-T330 WeakPolarHBondContact O-CG2 3.37Å; A312-T330 HydrophobicContact CB-CG2 4.07Å; A323-T330 HydrophobicContact CB-CG2 3.6Å; R326-T330 WeakPolarHBondContact CA-OG1 3.4Å; S327-T330 PolarHBondContact N-OG1 2.82Å; S327-T330 PolarHBondContact O-N 3.44Å; S327-T330 PolarHBondContact O-OG1 2.98Å; A328-T330 VanDerWaalsContact C-N 3.28Å; A328-T330 PolarHBondContact O-N 3.14Å; T330-F332 WeakPolarHBondContact O-CD2 3.43Å; T330-F332 VanDerWaalsContact O-CE2 3.32Å; T330-F332 WeakPolarHBondContact O-CE2 3.35Å |
| 331 | M | 97.1 | Very high | 94.6 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | trans | -101.9 | 129.3 | -174.4 | -62.3 | -73.2 | -92.5 | 0 | 0 | 109.8 | D295 T298 M300 T302 S327 A328 | D295-M331 HydrophobicContact CB-CE 3.81Å; T298-M331 WeakPolarHBondContact OG1-CE 3.4Å; M300-M331 HydrophobicContact CB-CB 4.16Å; M300-M331 HydrophobicContact CB-CE 3.74Å; M300-M331 HydrophobicContact CB-SD 4.34Å; M300-M331 HydrophobicContact CE-CB 4.33Å; M300-M331 HydrophobicContact CG-CE 4.49Å; T302-M331 HydrophobicContact CG2-CG 4.49Å; T302-M331 HydrophobicContact CG2-SD 3.4Å; T302-M331 WeakPolarHBondContact CG2-SD 3.41Å; S327-M331 VanDerWaalsContact O-CG 3.29Å; S327-M331 WeakPolarHBondContact O-CG 3.34Å; A328-M331 PolarHBondContact O-N 2.87Å | ||
| 332 | F | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -127.6 | 146.9 | -178.6 | -55.9 | -91.4 | 0 | 0 | 0 | 109.9 | M300 C301 F303 W311 V319 T330 I343 K344 A345 I351 | M300-F332 CarbonylContact C-O 3.57Å; M300-F332 WeakPolarHBondContact CA-O 3.39Å; C301-F332 PolarHBondContact N-O 3.04Å; C301-F332 PolarHBondContact O-N 2.89Å; C301-F332 PolarHBondContact SG-O 2.89Å; F303-F332 HydrophobicContact CD2-CD2 4Å; F303-F332 HydrophobicContact CD2-CE2 4.49Å; F303-F332 HydrophobicContact CE2-CB 4.28Å; F303-F332 HydrophobicContact CE2-CD2 4.3Å; F303-F332 HydrophobicContact CE2-CG 4.41Å; W311-F332 HydrophobicContact CB-CE2 3.71Å; W311-F332 HydrophobicContact CB-CZ 3.98Å; V319-F332 HydrophobicContact CG1-CE1 4.32Å; V319-F332 HydrophobicContact CG1-CZ 4.01Å; T330-F332 WeakPolarHBondContact O-CD2 3.43Å; T330-F332 VanDerWaalsContact O-CE2 3.32Å; T330-F332 WeakPolarHBondContact O-CE2 3.35Å; F332-I343 HydrophobicContact CB-CG2 3.67Å; F332-I343 HydrophobicContact CD1-CG2 3.96Å; F332-I343 HydrophobicContact CG-CG2 4.08Å; F332-K344 CarbonylContact C-O 3.57Å; F332-K344 WeakPolarHBondContact CA-O 3.38Å; F332-A345 HydrophobicContact CD1-CB 3.93Å; F332-A345 HydrophobicContact CE1-CB 3.89Å; F332-I351 HydrophobicContact CD1-CD1 3.98Å; F332-I351 HydrophobicContact CE1-CD1 3.97Å |
| 333 | S | 97.3 | Very high | 95 | Very high | 40 Ų | 40 | 53 Ų | 53 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 145.1 | 167.9 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | I343 K344 | S333-I343 CarbonylContact O-C 3.48Å; S333-I343 WeakPolarHBondContact O-CA 3.31Å; S333-K344 PolarHBondContact N-O 3.2Å; S333-K344 PolarHBondContact O-N 3.09Å; S333-K344 WeakPolarHBondContact OG-CB 3.48Å; S333-K344 PolarHBondContact OG-O 2.89Å |
| 334 | V | 96.9 | Very high | 95.2 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.7 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | M292 C301 W336 V341 | M292-V334 HydrophobicContact CE-CG2 3.88Å; C301-V334 VanDerWaalsContact SG-CG2 3.55Å; V334-W336 HydrophobicContact CG1-CD2 4.33Å; V334-W336 HydrophobicContact CG1-CZ2 3.99Å; V334-V341 HydrophobicContact CG1-CB 3.84Å; V334-V341 HydrophobicContact CG1-CG1 3.89Å |
| 335 | E | 96.3 | Very high | 95.4 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.5 | 172.4 | -169.2 | 172.4 | 152.4 | 0 | 0 | 109 | L337 V341 A342 Y350 I366 | E335-L337 HydrophobicContact CG-CD2 4.2Å; E335-V341 CarbonylContact O-C 3.48Å; E335-V341 VanDerWaalsContact O-CA 3.27Å; E335-V341 WeakPolarHBondContact O-CA 3.46Å; E335-A342 HydrophobicContact CB-CB 4.43Å; E335-A342 PolarHBondContact N-O 3.28Å; E335-A342 PolarHBondContact O-N 3.48Å; E335-Y350 PolarHBondContact OE2-OH 2.55Å; E335-I366 VanDerWaalsContact CD-CD1 3.5Å; E335-I366 HydrophobicContact CG-CD1 4.42Å; E335-I366 WeakPolarHBondContact OE1-CD1 3.32Å; E335-I366 WeakPolarHBondContact OE2-CD1 3.17Å |
| 336 | W | 93.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 19% | 0.189 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.3 | -175.6 | -62 | 93.4 | 0 | 0 | 0 | 110.6 | V334 V341 L374 L449 E450 L451 | V334-W336 HydrophobicContact CG1-CD2 4.33Å; V334-W336 HydrophobicContact CG1-CZ2 3.99Å; W336-V341 HydrophobicContact CD2-CG1 4.13Å; W336-V341 HydrophobicContact CE3-CG1 3.49Å; W336-V341 VanDerWaalsContact CE3-CG1 3.49Å; W336-V341 HydrophobicContact CH2-CG1 4.28Å; W336-V341 HydrophobicContact CZ3-CG1 3.59Å; W336-L374 HydrophobicContact CH2-CD1 4.17Å; W336-L374 HydrophobicContact CH2-CD2 4.45Å; W336-L449 WeakPolarHBondContact CZ3-O 3.41Å; W336-E450 HydrophobicContact CB-CG 4.15Å; W336-E450 HydrophobicContact CD2-CB 3.79Å; W336-E450 HydrophobicContact CD2-CG 3.72Å; W336-E450 HydrophobicContact CE3-CB 4.1Å; W336-E450 HydrophobicContact CE3-CG 3.82Å; W336-E450 HydrophobicContact CG-CB 4.13Å; W336-E450 HydrophobicContact CG-CG 3.85Å; W336-E450 HydrophobicContact CZ2-CB 4.38Å; W336-L451 HydrophobicContact CH2-CB 3.99Å; W336-L451 HydrophobicContact CH2-CG 4.24Å; W336-L451 HydrophobicContact CZ2-CB 3.87Å; W336-L451 WeakPolarHBondContact CZ2-O 3.36Å |
| 337 | L | 92.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 58 | -173.8 | -54.9 | 171.5 | 0 | 0 | 0 | 110 | E335 H339 K340 A342 I366 Q371 | E335-L337 HydrophobicContact CG-CD2 4.2Å; L337-H339 PolarHBondContact O-N 3.44Å; L337-K340 CarbonylContact C-O 3.51Å; L337-K340 WeakPolarHBondContact CA-O 3.34Å; L337-K340 HydrophobicContact CB-CB 4.21Å; L337-K340 WeakPolarHBondContact CB-O 3.44Å; L337-K340 PolarHBondContact N-O 2.84Å; L337-K340 PolarHBondContact O-N 2.86Å; L337-K340 VanDerWaalsContact O-N 3.17Å; L337-A342 HydrophobicContact CD1-CB 3.89Å; L337-I366 HydrophobicContact CD1-CD1 4.29Å; L337-I366 HydrophobicContact CD1-CG2 3.72Å; L337-I366 HydrophobicContact CD2-CD1 4.24Å; L337-Q371 HydrophobicContact CD1-CG 3.86Å |
| 338 | S | 86.3 | Confident | 95.8 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 43% | 0.427 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -98.3 | -171.4 | -163.1 | 0 | 0 | 0 | 0 | 112.2 | T448 | S338-T448 WeakPolarHBondContact O-CG2 3.19Š|
| 339 | H | 89.2 | Confident | 95.9 | Very high | 79 Ų | 79 | 41.5 Ų | 41.5 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -2 | -178.4 | -57.3 | -69.3 | 0 | 0 | 0 | 113.6 | L337 G417 T448 | L337-H339 PolarHBondContact O-N 3.44Å; H339-G417 PolarHBondContact ND1-O 3.46Å; H339-T448 WeakPolarHBondContact ND1-CG2 3.19Å |
| 340 | K | 94.4 | Very high | 96 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 30% | 0.296 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 167.9 | -178.6 | -62.7 | -68.6 | -175.9 | 166.9 | 0 | 110 | L337 Q371 L372 T373 | L337-K340 CarbonylContact C-O 3.51Å; L337-K340 WeakPolarHBondContact CA-O 3.34Å; L337-K340 HydrophobicContact CB-CB 4.21Å; L337-K340 WeakPolarHBondContact CB-O 3.44Å; L337-K340 PolarHBondContact N-O 2.84Å; L337-K340 PolarHBondContact O-N 2.86Å; L337-K340 VanDerWaalsContact O-N 3.17Å; K340-Q371 HydrophobicContact CB-CB 4.29Å; K340-Q371 HydrophobicContact CB-CG 4.49Å; K340-Q371 HydrophobicContact CG-CB 4.44Å; K340-L372 CarbonylContact C-O 3.59Å; K340-L372 WeakPolarHBondContact CA-O 3.5Å; K340-T373 PolarHBondContact NZ-OG1 2.89Å |
| 341 | V | 96.5 | Very high | 96 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.8 | 171.6 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | L261 V334 E335 W336 I343 L372 L374 | L261-V341 HydrophobicContact CD2-CG2 4.44Å; V334-V341 HydrophobicContact CG1-CB 3.84Å; V334-V341 HydrophobicContact CG1-CG1 3.89Å; E335-V341 CarbonylContact O-C 3.48Å; E335-V341 VanDerWaalsContact O-CA 3.27Å; E335-V341 WeakPolarHBondContact O-CA 3.46Å; W336-V341 HydrophobicContact CD2-CG1 4.13Å; W336-V341 HydrophobicContact CE3-CG1 3.49Å; W336-V341 VanDerWaalsContact CE3-CG1 3.49Å; W336-V341 HydrophobicContact CH2-CG1 4.28Å; W336-V341 HydrophobicContact CZ3-CG1 3.59Å; V341-I343 HydrophobicContact CG2-CG1 4.43Å; V341-L372 HydrophobicContact CG2-CB 4.03Å; V341-L372 PolarHBondContact N-O 2.87Å; V341-L372 PolarHBondContact O-N 3.2Å; V341-L374 HydrophobicContact CG1-CB 4.17Å; V341-L374 HydrophobicContact CG2-CB 3.94Å; V341-L374 HydrophobicContact CG2-CD1 4.44Å |
| 342 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | E335 L337 Y350 I366 | E335-A342 HydrophobicContact CB-CB 4.43Å; E335-A342 PolarHBondContact N-O 3.28Å; E335-A342 PolarHBondContact O-N 3.48Å; L337-A342 HydrophobicContact CD1-CB 3.89Å; A342-Y350 HydrophobicContact CB-CD1 3.8Å; A342-Y350 HydrophobicContact CB-CE1 4Å; A342-I366 HydrophobicContact CB-CD1 3.65Å; A342-I366 HydrophobicContact CB-CG1 3.8Å; A342-I366 HydrophobicContact CB-CG2 4.07Å |
| 343 | I | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.5 | -177.6 | -56.8 | 179.3 | 0 | 0 | 0 | 108.7 | L261 F303 F332 S333 V341 Y350 I351 L372 | L261-I343 HydrophobicContact CD1-CD1 4.03Å; L261-I343 HydrophobicContact CD2-CD1 4.23Å; F303-I343 HydrophobicContact CE2-CD1 4.14Å; F303-I343 HydrophobicContact CE2-CG2 4.38Å; F303-I343 HydrophobicContact CZ-CD1 3.96Å; F332-I343 HydrophobicContact CB-CG2 3.67Å; F332-I343 HydrophobicContact CD1-CG2 3.96Å; F332-I343 HydrophobicContact CG-CG2 4.08Å; S333-I343 CarbonylContact O-C 3.48Å; S333-I343 WeakPolarHBondContact O-CA 3.31Å; V341-I343 HydrophobicContact CG2-CG1 4.43Å; I343-Y350 CarbonylContact O-C 3.43Å; I343-Y350 WeakPolarHBondContact O-CA 3.43Å; I343-I351 HydrophobicContact CB-CD1 3.99Å; I343-I351 HydrophobicContact CB-CG1 4.42Å; I343-I351 HydrophobicContact CG2-CD1 3.64Å; I343-I351 HydrophobicContact CG2-CG1 4.38Å; I343-I351 PolarHBondContact O-N 3.4Å; I343-L372 HydrophobicContact CD1-CD1 3.67Å; I343-L372 HydrophobicContact CG1-CD1 4.12Å |
| 344 | K | 98.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 40 Ų | 40 | 30% | 0.3 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.5 | -178.2 | -178.1 | -179.6 | -162.3 | 169.3 | 0 | 110.8 | F332 S333 G348 K349 Y350 | F332-K344 CarbonylContact C-O 3.57Å; F332-K344 WeakPolarHBondContact CA-O 3.38Å; S333-K344 PolarHBondContact N-O 3.2Å; S333-K344 PolarHBondContact O-N 3.09Å; S333-K344 WeakPolarHBondContact OG-CB 3.48Å; S333-K344 PolarHBondContact OG-O 2.89Å; K344-G348 WeakPolarHBondContact CE-O 3.29Å; K344-K349 WeakPolarHBondContact CA-O 3.18Å; K344-Y350 HydrophobicContact CB-CD1 3.83Å; K344-Y350 HydrophobicContact CB-CE1 3.92Å; K344-Y350 HydrophobicContact CB-CG 4.47Å; K344-Y350 HydrophobicContact CD-CE1 4.25Å; K344-Y350 HydrophobicContact CD-CE2 4.5Å; K344-Y350 HydrophobicContact CG-CD1 4.45Å; K344-Y350 HydrophobicContact CG-CE1 4.47Å |
| 345 | A | 98.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | trans | -85.6 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L313 F332 N347 G348 K349 A361 | L313-A345 HydrophobicContact CD1-CB 4.33Å; L313-A345 HydrophobicContact CD2-CB 4.12Å; F332-A345 HydrophobicContact CD1-CB 3.93Å; F332-A345 HydrophobicContact CE1-CB 3.89Å; A345-N347 PolarHBondContact O-N 2.83Å; A345-G348 PolarHBondContact O-N 2.9Å; A345-K349 PolarHBondContact N-O 3.39Å; A345-A361 HydrophobicContact CB-CB 3.56Å | ||
| 346 | S | 96.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 37% | 0.371 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.8 | -176.6 | 62.3 | 0 | 0 | 0 | 0 | 115.1 | L313 A328 N329 G348 | L313-S346 WeakPolarHBondContact CD2-OG 3.28Å; A328-S346 WeakPolarHBondContact O-CB 3.38Å; N329-S346 PolarHBondContact OD1-OG 2.84Å; S346-G348 PolarHBondContact O-N 3.47Å |
| 347 | N | 97.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 3.4 | 172.2 | 65.8 | -4.7 | 0 | 0 | 0 | 113.5 | L313 A345 K349 A361 | L313-N347 HydrophobicContact CD2-CB 3.63Å; A345-N347 PolarHBondContact O-N 2.83Å; N347-K349 VanDerWaalsContact C-N 3.29Å; N347-K349 PolarHBondContact O-N 2.9Å; N347-K349 WeakPolarHBondContact OD1-CB 3.39Å; N347-K349 PolarHBondContact OD1-N 2.75Å; N347-A361 PolarHBondContact ND2-O 2.83Å |
| 348 | G | 97.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 48.3 Ų | 48.3 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 77 | 12.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K344 A345 S346 | K344-G348 WeakPolarHBondContact CE-O 3.29Å; A345-G348 PolarHBondContact O-N 2.9Å; S346-G348 PolarHBondContact O-N 3.47Å |
| 349 | K | 98.4 | Very high | 96 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 27% | 0.265 | 23% | 0.227 | S | C | . | . | trans | -110 | 148 | 179.6 | -60 | -171.3 | 168.4 | -96.1 | 0 | 111.9 | K344 A345 N347 A361 V362 S363 D364 | K344-K349 WeakPolarHBondContact CA-O 3.18Å; A345-K349 PolarHBondContact N-O 3.39Å; N347-K349 VanDerWaalsContact C-N 3.29Å; N347-K349 PolarHBondContact O-N 2.9Å; N347-K349 WeakPolarHBondContact OD1-CB 3.39Å; N347-K349 PolarHBondContact OD1-N 2.75Å; K349-A361 WeakPolarHBondContact CB-O 3.42Å; K349-V362 PolarHBondContact NZ-O 3.3Å; K349-S363 CarbonylContact C-O 3.49Å; K349-S363 WeakPolarHBondContact CA-O 3.39Å; K349-S363 WeakPolarHBondContact CB-O 3.48Å; K349-D364 VanDerWaalsContact NZ-CG 3.29Å; K349-D364 IonicContact NZ-OD1 3.42Å; K349-D364 PolarHBondContact NZ-OD1 3.14Å; K349-D364 IonicContact NZ-OD2 2.6Å; K349-D364 PolarHBondContact NZ-OD2 2.67Å | ||
| 350 | Y | 98.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.5 | 173.7 | -65.2 | -82.2 | 0 | 0 | 0 | 111.1 | E335 A342 I343 K344 C352 A361 V362 S363 I366 | E335-Y350 PolarHBondContact OE2-OH 2.55Å; A342-Y350 HydrophobicContact CB-CD1 3.8Å; A342-Y350 HydrophobicContact CB-CE1 4Å; I343-Y350 CarbonylContact O-C 3.43Å; I343-Y350 WeakPolarHBondContact O-CA 3.43Å; K344-Y350 HydrophobicContact CB-CD1 3.83Å; K344-Y350 HydrophobicContact CB-CE1 3.92Å; K344-Y350 HydrophobicContact CB-CG 4.47Å; K344-Y350 HydrophobicContact CD-CE1 4.25Å; K344-Y350 HydrophobicContact CD-CE2 4.5Å; K344-Y350 HydrophobicContact CG-CD1 4.45Å; K344-Y350 HydrophobicContact CG-CE1 4.47Å; Y350-C352 PolarHBondContact O-N 2.71Å; Y350-A361 WeakPolarHBondContact O-CA 3.08Å; Y350-V362 PolarHBondContact O-N 2.89Å; Y350-S363 PolarHBondContact N-O 2.8Å; Y350-S363 PolarHBondContact O-N 3.05Å; Y350-I366 HydrophobicContact CD1-CD1 4.34Å; Y350-I366 HydrophobicContact CD1-CG1 3.89Å; Y350-I366 HydrophobicContact CD2-CG1 4.12Å; Y350-I366 HydrophobicContact CE1-CD1 3.69Å; Y350-I366 HydrophobicContact CE1-CG1 3.66Å; Y350-I366 HydrophobicContact CE2-CD1 4.47Å; Y350-I366 HydrophobicContact CE2-CG1 3.93Å; Y350-I366 HydrophobicContact CG-CG1 4.1Å |
| 351 | I | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.6 | 171.5 | -63.8 | 179.2 | 0 | 0 | 0 | 108.2 | V319 F332 I343 L359 L360 A361 E370 | V319-I351 HydrophobicContact CG2-CD1 4.02Å; V319-I351 HydrophobicContact CG2-CG1 4.22Å; F332-I351 HydrophobicContact CD1-CD1 3.98Å; F332-I351 HydrophobicContact CE1-CD1 3.97Å; I343-I351 HydrophobicContact CB-CD1 3.99Å; I343-I351 HydrophobicContact CB-CG1 4.42Å; I343-I351 HydrophobicContact CG2-CD1 3.64Å; I343-I351 HydrophobicContact CG2-CG1 4.38Å; I343-I351 PolarHBondContact O-N 3.4Å; I351-L359 HydrophobicContact CG2-CB 3.87Å; I351-L359 HydrophobicContact CG2-CD2 4.01Å; I351-L359 HydrophobicContact CG2-CG 3.92Å; I351-L360 WeakPolarHBondContact CA-O 3.23Å; I351-A361 HydrophobicContact CG1-CB 4.24Å; I351-E370 WeakPolarHBondContact O-CA 3.32Å |
| 352 | C | 96.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.1 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 108.9 | Y350 L360 V362 E370 | Y350-C352 PolarHBondContact O-N 2.71Å; C352-L360 PolarHBondContact N-O 2.79Å; C352-L360 PolarHBondContact O-N 2.88Å; C352-V362 HydrophobicContact CB-CG2 4.29Å; C352-E370 HydrophobicContact CB-CG 4.22Å; C352-E370 VanDerWaalsContact CB-OE1 3.23Å; C352-E370 WeakPolarHBondContact CB-OE1 3.42Å; C352-E370 PolarHBondContact SG-OE1 2.88Å |
| 353 | T | 96.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 118.5 | 173.4 | -52 | 0 | 0 | 0 | 0 | 109.7 | A263 A279 D369 | A263-T353 HydrophobicContact CB-CG2 3.79Å; A263-T353 WeakPolarHBondContact CB-OG1 3.12Å; A279-T353 HydrophobicContact CB-CG2 4.02Å; T353-D369 PolarHBondContact N-O 2.9Å; T353-D369 PolarHBondContact OG1-O 2.85Å |
| 354 | K | 94.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | trans | -76.2 | 165.3 | 176.2 | -66.6 | -56.9 | -177.1 | -166.4 | 0 | 111.7 | N356 G357 Q358 L360 | K354-N356 VanDerWaalsContact CB-OD1 3.3Å; K354-N356 WeakPolarHBondContact CB-OD1 3.44Å; K354-N356 PolarHBondContact O-N 3.08Å; K354-N356 VanDerWaalsContact O-N 3.07Å; K354-G357 WeakPolarHBondContact O-CA 3.44Å; K354-G357 PolarHBondContact O-N 2.9Å; K354-Q358 PolarHBondContact N-O 2.96Å; K354-L360 HydrophobicContact CD-CD1 4.28Å; K354-L360 HydrophobicContact CG-CD1 3.74Å; K354-L360 HydrophobicContact CG-CG 4.11Å | ||
| 355 | K | 92.6 | Very high | 96.3 | Very high | 225 Ų | 225 | 50.5 Ų | 50.5 | 98% | 0.978 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.5 | 177.5 | -66.1 | -172 | 177.8 | -176 | 0 | 114.2 | G357 | K355-G357 VanDerWaalsContact C-N 3.3Š|
| 356 | N | 91.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 9 | 175.5 | 67.3 | -7.2 | 0 | 0 | 0 | 113.4 | N280 K354 Q358 | N280-N356 PolarHBondContact ND2-O 2.73Å; N280-N356 VanDerWaalsContact ND2-O 3.07Å; N280-N356 PolarHBondContact OD1-O 2.86Å; K354-N356 VanDerWaalsContact CB-OD1 3.3Å; K354-N356 WeakPolarHBondContact CB-OD1 3.44Å; K354-N356 PolarHBondContact O-N 3.08Å; K354-N356 VanDerWaalsContact O-N 3.07Å; N356-Q358 VanDerWaalsContact C-N 3.33Å; N356-Q358 PolarHBondContact ND2-OE1 2.85Å; N356-Q358 PolarHBondContact O-N 3.41Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.37Å; N356-Q358 PolarHBondContact OD1-N 2.93Å; N356-Q358 VanDerWaalsContact OD1-N 3.13Å |
| 357 | G | 94.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 83.3 | -10.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A278 A279 N280 K354 K355 L359 | A278-G357 CarbonylContact C-O 3.54Å; A278-G357 WeakPolarHBondContact CA-O 3.32Å; A279-G357 PolarHBondContact N-O 3.45Å; N280-G357 WeakPolarHBondContact OD1-CA 3.24Å; K354-G357 WeakPolarHBondContact O-CA 3.44Å; K354-G357 PolarHBondContact O-N 2.9Å; K355-G357 VanDerWaalsContact C-N 3.3Å; G357-L359 WeakPolarHBondContact O-CD1 3.33Å |
| 358 | Q | 95.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 140.5 | -176.3 | -71.8 | 179.6 | -29.9 | 0 | 0 | 112.8 | K354 N356 | K354-Q358 PolarHBondContact N-O 2.96Å; N356-Q358 VanDerWaalsContact C-N 3.33Å; N356-Q358 PolarHBondContact ND2-OE1 2.85Å; N356-Q358 PolarHBondContact O-N 3.41Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.37Å; N356-Q358 PolarHBondContact OD1-N 2.93Å; N356-Q358 VanDerWaalsContact OD1-N 3.13Å |
| 359 | L | 96.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.6 | 176.4 | -80.8 | 68.8 | 0 | 0 | 0 | 110.4 | V269 L277 A279 W311 V319 I351 G357 | V269-L359 HydrophobicContact CB-CD2 4.49Å; V269-L359 HydrophobicContact CG1-CD1 4.1Å; V269-L359 HydrophobicContact CG1-CD2 3.62Å; V269-L359 HydrophobicContact CG2-CD1 4.2Å; V269-L359 HydrophobicContact CG2-CD2 3.98Å; L277-L359 HydrophobicContact CB-CB 4.47Å; L277-L359 HydrophobicContact CB-CD2 4.39Å; L277-L359 PolarHBondContact O-N 3.4Å; L277-L359 VanDerWaalsContact O-N 3.09Å; A279-L359 HydrophobicContact CB-CD1 4.27Å; W311-L359 HydrophobicContact CH2-CD2 4.02Å; W311-L359 HydrophobicContact CZ3-CD2 4.17Å; V319-L359 HydrophobicContact CB-CB 4.45Å; V319-L359 HydrophobicContact CG2-CB 4.46Å; V319-L359 PolarHBondContact N-O 3.17Å; I351-L359 HydrophobicContact CG2-CB 3.87Å; I351-L359 HydrophobicContact CG2-CD2 4.01Å; I351-L359 HydrophobicContact CG2-CG 3.92Å; G357-L359 WeakPolarHBondContact O-CD1 3.33Å |
| 360 | L | 97.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.6 | 177.9 | -57 | -177 | 0 | 0 | 0 | 111.2 | G317 G318 I351 C352 K354 V362 | G317-L360 CarbonylContact O-C 3.59Å; G317-L360 WeakPolarHBondContact O-CA 3.3Å; G318-L360 VanDerWaalsContact CA-CD2 3.44Å; I351-L360 WeakPolarHBondContact CA-O 3.23Å; C352-L360 PolarHBondContact N-O 2.79Å; C352-L360 PolarHBondContact O-N 2.88Å; K354-L360 HydrophobicContact CD-CD1 4.28Å; K354-L360 HydrophobicContact CG-CD1 3.74Å; K354-L360 HydrophobicContact CG-CG 4.11Å; L360-V362 HydrophobicContact CB-CG1 3.96Å; L360-V362 HydrophobicContact CB-CG2 4.04Å; L360-V362 PolarHBondContact O-N 3.48Å; L360-V362 VanDerWaalsContact O-N 3.1Å |
| 361 | A | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 78.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L313 G317 A345 N347 K349 Y350 I351 | L313-A361 HydrophobicContact CD1-CB 3.71Å; G317-A361 PolarHBondContact O-N 2.93Å; A345-A361 HydrophobicContact CB-CB 3.56Å; N347-A361 PolarHBondContact ND2-O 2.83Å; K349-A361 WeakPolarHBondContact CB-O 3.42Å; Y350-A361 WeakPolarHBondContact O-CA 3.08Å; I351-A361 HydrophobicContact CG1-CB 4.24Å |
| 362 | V | 96.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -11.2 | -172.2 | -66.2 | 0 | 0 | 0 | 0 | 114.2 | K349 Y350 C352 L360 | K349-V362 PolarHBondContact NZ-O 3.3Å; Y350-V362 PolarHBondContact O-N 2.89Å; C352-V362 HydrophobicContact CB-CG2 4.29Å; L360-V362 HydrophobicContact CB-CG1 3.96Å; L360-V362 HydrophobicContact CB-CG2 4.04Å; L360-V362 PolarHBondContact O-N 3.48Å; L360-V362 VanDerWaalsContact O-N 3.1Å |
| 363 | S | 96.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.8 | -173.3 | -162.1 | 0 | 0 | 0 | 0 | 112.2 | K349 Y350 T365 E370 | K349-S363 CarbonylContact C-O 3.49Å; K349-S363 WeakPolarHBondContact CA-O 3.39Å; K349-S363 WeakPolarHBondContact CB-O 3.48Å; Y350-S363 PolarHBondContact N-O 2.8Å; Y350-S363 PolarHBondContact O-N 3.05Å; S363-T365 PolarHBondContact OG-O 3.15Å; S363-E370 WeakPolarHBondContact CB-OE1 3.36Å; S363-E370 PolarHBondContact OG-OE1 3.18Å |
| 364 | D | 97.1 | Very high | 96.1 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 59% | 0.594 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -93.7 | -11.1 | 177.4 | -60.9 | -53.2 | 0 | 0 | 0 | 112.2 | K349 | K349-D364 VanDerWaalsContact NZ-CG 3.29Å; K349-D364 IonicContact NZ-OD1 3.42Å; K349-D364 PolarHBondContact NZ-OD1 3.14Å; K349-D364 IonicContact NZ-OD2 2.6Å; K349-D364 PolarHBondContact NZ-OD2 2.67Å |
| 365 | T | 96.8 | Very high | 96.2 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -134.4 | 153.8 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 111 | S363 G367 | S363-T365 PolarHBondContact OG-O 3.15Å; T365-G367 PolarHBondContact O-N 2.94Å |
| 366 | I | 97.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | trans | -86.5 | 108.6 | 176.9 | -57.8 | 168.8 | 0 | 0 | 0 | 109.2 | E335 L337 A342 Y350 E370 Q371 | E335-I366 VanDerWaalsContact CD-CD1 3.5Å; E335-I366 HydrophobicContact CG-CD1 4.42Å; E335-I366 WeakPolarHBondContact OE1-CD1 3.32Å; E335-I366 WeakPolarHBondContact OE2-CD1 3.17Å; L337-I366 HydrophobicContact CD1-CD1 4.29Å; L337-I366 HydrophobicContact CD1-CG2 3.72Å; L337-I366 HydrophobicContact CD2-CD1 4.24Å; A342-I366 HydrophobicContact CB-CD1 3.65Å; A342-I366 HydrophobicContact CB-CG1 3.8Å; A342-I366 HydrophobicContact CB-CG2 4.07Å; Y350-I366 HydrophobicContact CD1-CD1 4.34Å; Y350-I366 HydrophobicContact CD1-CG1 3.89Å; Y350-I366 HydrophobicContact CD2-CG1 4.12Å; Y350-I366 HydrophobicContact CE1-CD1 3.69Å; Y350-I366 HydrophobicContact CE1-CG1 3.66Å; Y350-I366 HydrophobicContact CE2-CD1 4.47Å; Y350-I366 HydrophobicContact CE2-CG1 3.93Å; Y350-I366 HydrophobicContact CG-CG1 4.1Å; I366-E370 HydrophobicContact CG2-CB 4.34Å; I366-Q371 HydrophobicContact CG2-CG 3.95Å | ||
| 367 | G | 96.1 | Very high | 96.7 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | -103 | -156.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | T365 E370 Q371 | T365-G367 PolarHBondContact O-N 2.94Å; G367-E370 WeakPolarHBondContact CA-OE2 3.25Å; G367-E370 PolarHBondContact N-OE2 2.99Å; G367-Q371 WeakPolarHBondContact O-CG 3.48Å; G367-Q371 PolarHBondContact O-NE2 2.96Å | ||
| 368 | E | 95.5 | Very high | 96.8 | Very high | 152 Ų | 152 | 43.3 Ų | 43.3 | 71% | 0.71 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -71.8 | -43.8 | 176.2 | -171.2 | 178.3 | 174.6 | 0 | 0 | 111.4 | A264 E370 Q371 | A264-E368 HydrophobicContact CB-CG 4.33Å; A264-E368 WeakPolarHBondContact CB-O 3.38Å; E368-E370 PolarHBondContact O-N 3.29Å; E368-Q371 PolarHBondContact O-N 3.26Å; E368-Q371 VanDerWaalsContact O-N 3.13Å |
| 369 | D | 96.6 | Very high | 96.9 | Very high | 84 Ų | 84 | 39.8 Ų | 39.8 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16 | -176.8 | -69.6 | -33.6 | 0 | 0 | 0 | 113.9 | T353 | T353-D369 PolarHBondContact N-O 2.9Å; T353-D369 PolarHBondContact OG1-O 2.85Å |
| 370 | E | 97.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.7 | 175.1 | -68.2 | 72.6 | -153.4 | 0 | 0 | 113.5 | I351 C352 S363 I366 G367 E368 | I351-E370 WeakPolarHBondContact O-CA 3.32Å; C352-E370 HydrophobicContact CB-CG 4.22Å; C352-E370 VanDerWaalsContact CB-OE1 3.23Å; C352-E370 WeakPolarHBondContact CB-OE1 3.42Å; C352-E370 PolarHBondContact SG-OE1 2.88Å; S363-E370 WeakPolarHBondContact CB-OE1 3.36Å; S363-E370 PolarHBondContact OG-OE1 3.18Å; I366-E370 HydrophobicContact CG2-CB 4.34Å; G367-E370 WeakPolarHBondContact CA-OE2 3.25Å; G367-E370 PolarHBondContact N-OE2 2.99Å; E368-E370 PolarHBondContact O-N 3.29Å |
| 371 | Q | 97.1 | Very high | 96.8 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | trans | -89.1 | 118.1 | -179.4 | -73.7 | 176.9 | 57 | 0 | 0 | 111.3 | L337 K340 I366 G367 E368 | L337-Q371 HydrophobicContact CD1-CG 3.86Å; K340-Q371 HydrophobicContact CB-CB 4.29Å; K340-Q371 HydrophobicContact CB-CG 4.49Å; K340-Q371 HydrophobicContact CG-CB 4.44Å; I366-Q371 HydrophobicContact CG2-CG 3.95Å; G367-Q371 WeakPolarHBondContact O-CG 3.48Å; G367-Q371 PolarHBondContact O-NE2 2.96Å; E368-Q371 PolarHBondContact O-N 3.26Å; E368-Q371 VanDerWaalsContact O-N 3.13Å | ||
| 372 | L | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -108.4 | 147.8 | 175.6 | -55.8 | 173.8 | 0 | 0 | 0 | 109.7 | L261 I262 A263 K340 V341 I343 | L261-L372 HydrophobicContact CD2-CB 4.32Å; L261-L372 HydrophobicContact CD2-CD1 4.36Å; I262-L372 CarbonylContact O-C 3.52Å; I262-L372 WeakPolarHBondContact O-CA 3.48Å; A263-L372 HydrophobicContact CB-CD2 3.84Å; K340-L372 CarbonylContact C-O 3.59Å; K340-L372 WeakPolarHBondContact CA-O 3.5Å; V341-L372 HydrophobicContact CG2-CB 4.03Å; V341-L372 PolarHBondContact N-O 2.87Å; V341-L372 PolarHBondContact O-N 3.2Å; I343-L372 HydrophobicContact CD1-CD1 3.67Å; I343-L372 HydrophobicContact CG1-CD1 4.12Å |
| 373 | T | 96.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 37.5 Ų | 37.5 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.1 | 162 | -38.1 | 0 | 0 | 0 | 0 | 109 | L261 I262 K340 Y414 | L261-T373 WeakPolarHBondContact CA-O 3.48Å; I262-T373 PolarHBondContact N-O 2.98Å; I262-T373 PolarHBondContact O-N 2.93Å; K340-T373 PolarHBondContact NZ-OG1 2.89Å; T373-Y414 WeakPolarHBondContact CG2-OH 3.47Å |
| 374 | L | 96.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.073 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.4 | 175 | -175.8 | 159.5 | 0 | 0 | 0 | 109.2 | V259 L261 M292 W336 V341 Y419 L451 | V259-L374 HydrophobicContact CB-CD2 4.17Å; V259-L374 HydrophobicContact CB-CG 4.18Å; V259-L374 HydrophobicContact CG1-CD2 3.72Å; V259-L374 HydrophobicContact CG1-CG 4.18Å; V259-L374 HydrophobicContact CG2-CG 4.49Å; L261-L374 HydrophobicContact CD2-CB 3.89Å; L261-L374 HydrophobicContact CD2-CD1 4.2Å; L261-L374 HydrophobicContact CD2-CG 4.06Å; M292-L374 HydrophobicContact SD-CD1 4.16Å; W336-L374 HydrophobicContact CH2-CD1 4.17Å; W336-L374 HydrophobicContact CH2-CD2 4.45Å; V341-L374 HydrophobicContact CG1-CB 4.17Å; V341-L374 HydrophobicContact CG2-CB 3.94Å; V341-L374 HydrophobicContact CG2-CD1 4.44Å; L374-Y419 PolarHBondContact O-OH 3.36Å; L374-L451 HydrophobicContact CD2-CD1 4.16Å |
| 375 | K | 97.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 33 Ų | 33 | 17% | 0.17 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.6 | 178 | 174.1 | -167.1 | -178.5 | -161.4 | 0 | 109.7 | V259 V260 E284 I377 Y414 Y419 | V259-K375 CarbonylContact C-O 3.51Å; V259-K375 WeakPolarHBondContact CA-O 3.5Å; V260-K375 HydrophobicContact CG2-CB 3.67Å; V260-K375 HydrophobicContact CG2-CD 3.78Å; V260-K375 HydrophobicContact CG2-CG 4.1Å; V260-K375 PolarHBondContact N-O 3.05Å; V260-K375 PolarHBondContact O-N 3.01Å; E284-K375 IonicContact OE1-NZ 2.75Å; E284-K375 PolarHBondContact OE1-NZ 2.88Å; E284-K375 IonicContact OE2-NZ 3.13Å; E284-K375 PolarHBondContact OE2-NZ 2.85Å; K375-I377 HydrophobicContact CD-CG2 4.13Å; K375-I377 HydrophobicContact CG-CG2 4.14Å; K375-Y414 HydrophobicContact CB-CD2 4.26Å; K375-Y414 HydrophobicContact CB-CE1 4.31Å; K375-Y414 HydrophobicContact CB-CE2 3.97Å; K375-Y414 HydrophobicContact CD-CD1 3.68Å; K375-Y414 HydrophobicContact CD-CE1 3.87Å; K375-Y414 HydrophobicContact CD-CG 4.05Å; K375-Y414 HydrophobicContact CG-CD1 3.88Å; K375-Y414 HydrophobicContact CG-CD2 3.89Å; K375-Y414 HydrophobicContact CG-CE1 4.08Å; K375-Y414 HydrophobicContact CG-CE2 4.09Å; K375-Y414 HydrophobicContact CG-CG 3.76Å; K375-Y419 WeakPolarHBondContact CA-OH 3.42Å |
| 376 | L | 97.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120.6 | 171.3 | 179.5 | 64.6 | 0 | 0 | 0 | 109 | P257 V259 R379 L412 Y419 L449 F490 | P257-L376 HydrophobicContact CB-CD1 3.6Å; V259-L376 HydrophobicContact CG1-CD1 4.39Å; L376-R379 HydrophobicContact CD1-CG 4.39Å; L376-R379 HydrophobicContact CD2-CB 3.78Å; L376-R379 HydrophobicContact CD2-CG 3.72Å; L376-R379 HydrophobicContact CG-CB 4.07Å; L376-R379 HydrophobicContact CG-CG 4.11Å; L376-L412 HydrophobicContact CD2-CD2 4.49Å; L376-Y419 HydrophobicContact CB-CE1 4.36Å; L376-Y419 PolarHBondContact N-OH 2.96Å; L376-L449 HydrophobicContact CD2-CD1 4.43Å; L376-F490 HydrophobicContact CD2-CE2 4.39Å |
| 377 | I | 96.3 | Very high | 96.3 | Very high | 30 Ų | 30 | 29.6 Ų | 29.6 | 15% | 0.154 | 16% | 0.157 | C | C | . | . | trans | -105.6 | -27.9 | -171.5 | 62.9 | 158.2 | 0 | 0 | 0 | 113.8 | Q258 V260 T289 K375 R379 | Q258-I377 HydrophobicContact CB-CG1 4.14Å; Q258-I377 VanDerWaalsContact O-CG1 3.23Å; Q258-I377 WeakPolarHBondContact O-CG1 3.48Å; Q258-I377 PolarHBondContact O-N 2.98Å; V260-I377 HydrophobicContact CB-CG2 4.41Å; V260-I377 HydrophobicContact CG1-CD1 4.24Å; V260-I377 HydrophobicContact CG1-CG2 3.82Å; V260-I377 HydrophobicContact CG2-CG2 3.86Å; T289-I377 HydrophobicContact CG2-CD1 3.55Å; T289-I377 HydrophobicContact CG2-CG1 4.43Å; T289-I377 VanDerWaalsContact OG1-CD1 3.3Å; T289-I377 WeakPolarHBondContact OG1-CD1 3.15Å; K375-I377 HydrophobicContact CD-CG2 4.13Å; K375-I377 HydrophobicContact CG-CG2 4.14Å; I377-R379 VanDerWaalsContact C-N 3.3Å; I377-R379 PolarHBondContact O-N 3.05Å | ||
| 378 | N | 97 | Very high | 95.9 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -97 | 35.1 | -176 | 73.2 | -27.1 | 0 | 0 | 0 | 112.8 | L172 H256 Q258 | L172-N378 WeakPolarHBondContact CD2-O 3.23Å; H256-N378 PolarHBondContact O-ND2 3.3Å; Q258-N378 HydrophobicContact CB-CB 4.16Å; Q258-N378 PolarHBondContact N-OD1 2.63Å |
| 379 | R | 97.2 | Very high | 95.7 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.015 | 13% | 0.128 | C | C | . | . | trans | -140.2 | 55.1 | 172.1 | -69 | -61.1 | -173.1 | -75.2 | -5 | 112.3 | S255 L376 I377 M381 L412 F490 | S255-R379 PolarHBondContact O-NH2 3.3Å; S255-R379 PolarHBondContact OG-NH1 3.37Å; S255-R379 VanDerWaalsContact OG-NH1 3.11Å; L376-R379 HydrophobicContact CD1-CG 4.39Å; L376-R379 HydrophobicContact CD2-CB 3.78Å; L376-R379 HydrophobicContact CD2-CG 3.72Å; L376-R379 HydrophobicContact CG-CB 4.07Å; L376-R379 HydrophobicContact CG-CG 4.11Å; I377-R379 VanDerWaalsContact C-N 3.3Å; I377-R379 PolarHBondContact O-N 3.05Å; R379-M381 CarbonylContact C-O 3.56Å; R379-M381 PolarHBondContact O-N 3.02Å; R379-L412 HydrophobicContact CB-CD2 4.28Å; R379-L412 VanDerWaalsContact O-CB 3.27Å; R379-L412 WeakPolarHBondContact O-CB 3.31Å; R379-L412 WeakPolarHBondContact O-CD2 3.19Å; R379-F490 HydrophobicContact CG-CD2 4.08Å; R379-F490 PolarHBondContact NE-OXT 3.34Å; R379-F490 PolarHBondContact NH2-O 2.84Å; R379-F490 PolarHBondContact NH2-OXT 2.92Å | ||
| 380 | P | 96 | Very high | 95.6 | Very high | 40 Ų | 40 | 20.8 Ų | 20.8 | 26% | 0.26 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -64 | -29.7 | 172.2 | 29.5 | -36.3 | 0 | 0 | 0 | 111.6 | V169 C187 L412 | V169-P380 HydrophobicContact CG2-CG 3.61Å; C187-P380 HydrophobicContact CB-CG 4.23Å; P380-L412 PolarHBondContact O-N 3.08Å |
| 381 | M | 96.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.6 | 165.1 | -67.7 | -178.5 | -69 | 0 | 0 | 108.9 | Q138 T174 K185 T186 R379 I409 F410 | Q138-M381 PolarHBondContact NE2-O 3.29Å; T174-M381 WeakPolarHBondContact OG1-CE 3.24Å; K185-M381 HydrophobicContact CD-SD 4.03Å; K185-M381 HydrophobicContact CG-CE 4.44Å; K185-M381 HydrophobicContact CG-SD 4.47Å; T186-M381 WeakPolarHBondContact O-CE 3.5Å; R379-M381 CarbonylContact C-O 3.56Å; R379-M381 PolarHBondContact O-N 3.02Å; M381-I409 HydrophobicContact CB-CG2 3.68Å; M381-I409 HydrophobicContact CG-CG2 3.84Å; M381-I409 HydrophobicContact SD-CG2 3.75Å; M381-F410 CarbonylContact C-O 3.6Å; M381-F410 VanDerWaalsContact CA-O 3.27Å; M381-F410 WeakPolarHBondContact CA-O 3.38Å |
| 382 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122 | -177.9 | -173.4 | 67.7 | 0 | 0 | 0 | 109.9 | L384 F410 L412 I421 F490 | L382-L384 HydrophobicContact CD1-CD2 3.89Å; L382-L384 HydrophobicContact CD1-CG 4.31Å; L382-L384 HydrophobicContact CD2-CD1 3.85Å; L382-L384 HydrophobicContact CD2-CD2 4.2Å; L382-L384 HydrophobicContact CD2-CG 4.07Å; L382-L384 HydrophobicContact CG-CD1 4.22Å; L382-L384 HydrophobicContact CG-CD2 4.02Å; L382-L384 HydrophobicContact CG-CG 3.9Å; L382-F410 HydrophobicContact CB-CB 4.35Å; L382-F410 PolarHBondContact N-O 3.1Å; L382-F410 WeakPolarHBondContact O-CB 3.28Å; L382-F410 WeakPolarHBondContact O-CD2 3.26Å; L382-F410 PolarHBondContact O-N 3.36Å; L382-L412 HydrophobicContact CB-CB 4.26Å; L382-L412 HydrophobicContact CD2-CD1 4.21Å; L382-I421 HydrophobicContact CD2-CD1 4.18Å; L382-I421 HydrophobicContact CD2-CG1 4.45Å; L382-F490 HydrophobicContact CD1-CB 4.26Å |
| 383 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -116 | 135 | 167.2 | -60.8 | 173.9 | 0 | 0 | 0 | 106.3 | H136 P137 Q138 T174 F390 Y407 I409 F490 | H136-I383 PolarHBondContact CE1-O 2.81Å; H136-I383 PolarHBondContact NE2-O 2.85Å; P137-I383 HydrophobicContact CB-CD1 3.98Å; P137-I383 HydrophobicContact CG-CD1 4.36Å; P137-I383 HydrophobicContact CG-CG2 4.41Å; Q138-I383 HydrophobicContact CG-CB 4.39Å; Q138-I383 HydrophobicContact CG-CD1 3.95Å; Q138-I383 HydrophobicContact CG-CG1 4.32Å; Q138-I383 VanDerWaalsContact OE1-N 3.13Å; T174-I383 HydrophobicContact CG2-CD1 3.59Å; I383-F390 HydrophobicContact CG2-CD1 3.8Å; I383-F390 HydrophobicContact CG2-CE1 3.94Å; I383-Y407 HydrophobicContact CD1-CD2 3.79Å; I383-Y407 HydrophobicContact CD1-CE2 4.19Å; I383-Y407 HydrophobicContact CD1-CG 4.48Å; I383-Y407 HydrophobicContact CG2-CD2 4.35Å; I383-Y407 HydrophobicContact CG2-CG 4.02Å; I383-I409 HydrophobicContact CD1-CG1 4.07Å; I383-I409 HydrophobicContact CG1-CG1 4.21Å; I383-F490 WeakPolarHBondContact O-CA 3.47Å | ||
| 384 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -124.6 | 126.5 | -176.1 | -65.8 | 168 | 0 | 0 | 0 | 110.2 | L382 F390 I391 W429 L457 I459 W488 E489 F490 | L382-L384 HydrophobicContact CD1-CD2 3.89Å; L382-L384 HydrophobicContact CD1-CG 4.31Å; L382-L384 HydrophobicContact CD2-CD1 3.85Å; L382-L384 HydrophobicContact CD2-CD2 4.2Å; L382-L384 HydrophobicContact CD2-CG 4.07Å; L382-L384 HydrophobicContact CG-CD1 4.22Å; L382-L384 HydrophobicContact CG-CD2 4.02Å; L382-L384 HydrophobicContact CG-CG 3.9Å; L384-F390 CarbonylContact O-C 3.59Å; L384-F390 VanDerWaalsContact O-CA 3.27Å; L384-F390 WeakPolarHBondContact O-CA 3.49Å; L384-I391 HydrophobicContact CB-CB 4.26Å; L384-I391 HydrophobicContact CB-CD1 3.65Å; L384-I391 HydrophobicContact CB-CG1 3.92Å; L384-I391 HydrophobicContact CD1-CD1 3.72Å; L384-I391 HydrophobicContact CG-CD1 4.35Å; L384-I391 PolarHBondContact O-N 2.79Å; L384-W429 HydrophobicContact CD1-CH2 4.09Å; L384-W429 HydrophobicContact CD1-CZ3 4.41Å; L384-L457 HydrophobicContact CD2-CD1 4.23Å; L384-I459 HydrophobicContact CD1-CD1 3.54Å; L384-I459 HydrophobicContact CD2-CD1 4.34Å; L384-W488 HydrophobicContact CB-CB 4.26Å; L384-W488 HydrophobicContact CD2-CB 3.71Å; L384-W488 HydrophobicContact CD2-CG 4.46Å; L384-W488 HydrophobicContact CG-CB 4.48Å; L384-E489 WeakPolarHBondContact CA-O 3.47Å; L384-F490 HydrophobicContact CD2-CB 4.15Å | ||
| 385 | R | 96.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 30.3 Ų | 30.3 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.8 | 174.4 | -176.2 | 169 | 68 | -179.9 | 3.2 | 111.1 | A134 F390 E489 | A134-R385 PolarHBondContact O-NH1 2.81Å; A134-R385 PolarHBondContact O-NH2 3.34Å; R385-F390 HydrophobicContact CB-CD1 3.66Å; R385-F390 HydrophobicContact CB-CE1 3.73Å; R385-F390 HydrophobicContact CB-CG 4.39Å; R385-F390 HydrophobicContact CB-CZ 4.48Å; R385-F390 HydrophobicContact CG-CD1 4.15Å; R385-F390 HydrophobicContact CG-CE1 4.13Å; R385-F390 HydrophobicContact CG-CG 4.49Å; R385-F390 HydrophobicContact CG-CZ 4.43Å; R385-E489 HydrophobicContact CB-CB 4.25Å; R385-E489 IonicContact CZ-OE1 3.28Å; R385-E489 IonicContact CZ-OE2 3.48Å; R385-E489 PolarHBondContact N-O 3.32Å; R385-E489 IonicContact NE-OE2 3.96Å; R385-E489 PolarHBondContact NE-OE2 2.84Å; R385-E489 IonicContact NH2-OE1 2.99Å; R385-E489 PolarHBondContact NH2-OE1 2.99Å; R385-E489 IonicContact NH2-OE2 3.39Å; R385-E489 PolarHBondContact NH2-OE2 3.04Å; R385-E489 PolarHBondContact O-N 2.85Å |
| 386 | G | 93.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -173.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N388 G389 | G386-N388 PolarHBondContact O-N 2.93Å; G386-N388 VanDerWaalsContact O-N 3.16Å; G386-G389 PolarHBondContact N-O 2.99Å; G386-G389 PolarHBondContact O-N 2.89Å |
| 387 | D | 88.4 | Confident | 94 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 36% | 0.364 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -33.5 | 179.9 | -74.8 | -21.9 | 0 | 0 | 0 | 112.8 | K40 S484 | K40-D387 WeakPolarHBondContact CE-O 3.23Å; D387-S484 WeakPolarHBondContact OD2-CB 3.41Å; D387-S484 PolarHBondContact OD2-OG 2.99Å |
| 388 | N | 87.9 | Confident | 93.8 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 31% | 0.31 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.2 | -174.7 | -68.1 | -35.8 | 0 | 0 | 0 | 114.6 | S38 K40 G386 S403 | S38-N388 VanDerWaalsContact CB-O 3.25Å; S38-N388 WeakPolarHBondContact CB-O 3.33Å; K40-N388 PolarHBondContact NZ-OD1 3.27Å; G386-N388 PolarHBondContact O-N 2.93Å; G386-N388 VanDerWaalsContact O-N 3.16Å; N388-S403 CarbonylContact O-C 3.51Å; N388-S403 VanDerWaalsContact O-CA 3.3Å; N388-S403 WeakPolarHBondContact O-CA 3.26Å |
| 389 | G | 91.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 39 Ų | 39 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.8 | -164.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G386 R404 | G386-G389 PolarHBondContact N-O 2.99Å; G386-G389 PolarHBondContact O-N 2.89Å; G389-R404 CarbonylContact C-O 3.59Å; G389-R404 WeakPolarHBondContact CA-O 3.21Å |
| 390 | F | 95.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 156.4 | -179.7 | -64.8 | -83.5 | 0 | 0 | 0 | 112.5 | P137 I383 L384 R385 A402 S403 R404 V406 Y407 | P137-F390 HydrophobicContact CG-CE1 4.02Å; P137-F390 HydrophobicContact CG-CZ 4.09Å; I383-F390 HydrophobicContact CG2-CD1 3.8Å; I383-F390 HydrophobicContact CG2-CE1 3.94Å; L384-F390 CarbonylContact O-C 3.59Å; L384-F390 VanDerWaalsContact O-CA 3.27Å; L384-F390 WeakPolarHBondContact O-CA 3.49Å; R385-F390 HydrophobicContact CB-CD1 3.66Å; R385-F390 HydrophobicContact CB-CE1 3.73Å; R385-F390 HydrophobicContact CB-CG 4.39Å; R385-F390 HydrophobicContact CB-CZ 4.48Å; R385-F390 HydrophobicContact CG-CD1 4.15Å; R385-F390 HydrophobicContact CG-CE1 4.13Å; R385-F390 HydrophobicContact CG-CG 4.49Å; R385-F390 HydrophobicContact CG-CZ 4.43Å; F390-A402 CarbonylContact O-C 3.59Å; F390-S403 PolarHBondContact O-N 3.09Å; F390-R404 PolarHBondContact N-O 2.72Å; F390-R404 PolarHBondContact O-N 3.03Å; F390-R404 VanDerWaalsContact O-N 3.16Å; F390-V406 VanDerWaalsContact CB-O 3.28Å; F390-V406 WeakPolarHBondContact CB-O 3.43Å; F390-Y407 HydrophobicContact CD1-CD1 4.06Å; F390-Y407 HydrophobicContact CD1-CG 4.23Å; F390-Y407 AromaticContact CD2-CD1 3.98Å; F390-Y407 HydrophobicContact CD2-CD1 3.98Å; F390-Y407 AromaticContact CE1-CD1 3.77Å; F390-Y407 HydrophobicContact CE1-CD1 3.77Å; F390-Y407 HydrophobicContact CE1-CG 4.25Å; F390-Y407 AromaticContact CE2-CD1 3.72Å; F390-Y407 HydrophobicContact CE2-CD1 3.72Å; F390-Y407 HydrophobicContact CE2-CE1 4.4Å; F390-Y407 HydrophobicContact CG-CD1 4.14Å; F390-Y407 HydrophobicContact CG-CG 4.42Å; F390-Y407 AromaticContact CZ-CD1 3.59Å; F390-Y407 HydrophobicContact CZ-CD1 3.59Å; F390-Y407 HydrophobicContact CZ-CE1 4.19Å; F390-Y407 HydrophobicContact CZ-CG 4.5Å |
| 391 | I | 97.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.7 | 168.5 | -55.3 | -176.7 | 0 | 0 | 0 | 110.1 | L384 L400 D401 A402 F410 W429 L475 W488 | L384-I391 HydrophobicContact CB-CB 4.26Å; L384-I391 HydrophobicContact CB-CD1 3.65Å; L384-I391 HydrophobicContact CB-CG1 3.92Å; L384-I391 HydrophobicContact CD1-CD1 3.72Å; L384-I391 HydrophobicContact CG-CD1 4.35Å; L384-I391 PolarHBondContact O-N 2.79Å; I391-L400 HydrophobicContact CG2-CB 4.11Å; I391-L400 HydrophobicContact CG2-CD2 4.33Å; I391-D401 CarbonylContact C-O 3.53Å; I391-D401 WeakPolarHBondContact CA-O 3.24Å; I391-D401 WeakPolarHBondContact CG2-O 3.43Å; I391-A402 HydrophobicContact CG1-CB 4.33Å; I391-F410 HydrophobicContact CB-CE2 4.24Å; I391-F410 HydrophobicContact CG2-CE2 4.07Å; I391-F410 HydrophobicContact CG2-CZ 4.16Å; I391-F410 WeakPolarHBondContact O-CE2 3.35Å; I391-W429 HydrophobicContact CD1-CH2 4.36Å; I391-W429 HydrophobicContact CG2-CH2 3.81Å; I391-W429 HydrophobicContact CG2-CZ2 4.2Å; I391-L475 HydrophobicContact CD1-CD1 3.93Å; I391-L475 HydrophobicContact CD1-CD2 3.97Å; I391-L475 HydrophobicContact CG2-CD2 4.07Å; I391-W488 HydrophobicContact CD1-CD2 3.9Å; I391-W488 HydrophobicContact CD1-CE3 3.59Å; I391-W488 HydrophobicContact CD1-CH2 3.82Å; I391-W488 HydrophobicContact CD1-CZ2 4.11Å; I391-W488 HydrophobicContact CD1-CZ3 3.55Å; I391-W488 HydrophobicContact CG1-CE3 3.86Å; I391-W488 HydrophobicContact CG1-CH2 4.11Å; I391-W488 HydrophobicContact CG1-CZ3 3.54Å |
| 392 | C | 95.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.9 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | H394 L400 D401 R404 V406 D408 | C392-H394 PolarHBondContact O-N 2.96Å; C392-L400 CarbonylContact O-C 3.56Å; C392-L400 VanDerWaalsContact O-CA 3.3Å; C392-L400 WeakPolarHBondContact O-CA 3.44Å; C392-D401 PolarHBondContact N-O 2.85Å; C392-D401 PolarHBondContact O-N 2.71Å; C392-R404 HydrophobicContact CB-CB 4.44Å; C392-R404 HydrophobicContact CB-CG 3.84Å; C392-V406 PolarHBondContact SG-O 3.09Å; C392-D408 VanDerWaalsContact CA-OD2 3.28Å; C392-D408 WeakPolarHBondContact CA-OD2 3.23Å; C392-D408 HydrophobicContact CB-CB 4.43Å; C392-D408 WeakPolarHBondContact CB-OD2 3.36Å; C392-D408 PolarHBondContact SG-N 2.79Å |
| 393 | H | 94.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 21% | 0.213 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 129.8 | 163.4 | -164.8 | 76.8 | 0 | 0 | 0 | 110.7 | S397 D408 V424 | H393-S397 PolarHBondContact NE2-O 3.13Å; H393-D408 PolarHBondContact N-OD2 2.8Å; H393-V424 HydrophobicContact CB-CG2 4.5Å |
| 394 | H | 91.9 | Very high | 93.1 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | trans | -71.2 | 132.7 | 173.5 | -178 | -92.5 | 0 | 0 | 0 | 109.2 | C392 N396 S397 T399 D401 | C392-H394 PolarHBondContact O-N 2.96Å; H394-N396 PolarHBondContact ND1-N 2.86Å; H394-N396 PolarHBondContact O-N 3.02Å; H394-N396 VanDerWaalsContact O-N 3.1Å; H394-S397 WeakPolarHBondContact CB-OG 3.23Å; H394-S397 VanDerWaalsContact CG-OG 3.29Å; H394-S397 PolarHBondContact ND1-N 3.2Å; H394-S397 PolarHBondContact ND1-OG 3.3Å; H394-S397 PolarHBondContact O-N 3.23Å; H394-T399 VanDerWaalsContact CB-O 3.22Å; H394-T399 WeakPolarHBondContact CB-O 3.31Å; H394-T399 PolarHBondContact N-O 3.21Å; H394-D401 IonicContact CD2-OD1 2.7Å; H394-D401 PolarHBondContact CD2-OD1 2.98Å; H394-D401 VanDerWaalsContact CD2-OD1 3.28Å; H394-D401 IonicContact CD2-OD2 3.12Å; H394-D401 PolarHBondContact CD2-OD2 3.38Å; H394-D401 IonicContact CG-OD1 3.78Å | ||
| 395 | R | 84.6 | Confident | 92.4 | Very high | 197 Ų | 197 | 44.2 Ų | 44.2 | 74% | 0.743 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28 | -169.1 | -70.8 | -176 | 178.1 | 178.3 | -2.6 | 114.9 | ||
| 396 | N | 88.3 | Confident | 92 | Very high | 150 Ų | 150 | 45 Ų | 45 | 80% | 0.802 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 14.8 | -170.2 | -59.8 | -32.8 | 0 | 0 | 0 | 113.1 | H394 | H394-N396 PolarHBondContact ND1-N 2.86Å; H394-N396 PolarHBondContact O-N 3.02Å; H394-N396 VanDerWaalsContact O-N 3.1Å |
| 397 | S | 92.4 | Very high | 92 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -153.1 | 168.9 | 177.5 | 62.3 | 0 | 0 | 0 | 0 | 110 | H393 H394 T399 | H393-S397 PolarHBondContact NE2-O 3.13Å; H394-S397 WeakPolarHBondContact CB-OG 3.23Å; H394-S397 VanDerWaalsContact CG-OG 3.29Å; H394-S397 PolarHBondContact ND1-N 3.2Å; H394-S397 PolarHBondContact ND1-OG 3.3Å; H394-S397 PolarHBondContact O-N 3.23Å; S397-T399 PolarHBondContact O-N 3.43Å; S397-T399 PolarHBondContact OG-OG1 3.07Å |
| 398 | N | 93.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -77.7 | -1.6 | 175.3 | 64.6 | -13.1 | 0 | 0 | 0 | 114.4 | C438 A439 D440 | N398-C438 CarbonylContact O-C 3.52Å; N398-C438 WeakPolarHBondContact O-CA 3.4Å; N398-A439 PolarHBondContact O-N 2.9Å; N398-D440 HydrophobicContact CB-CB 3.91Å; N398-D440 WeakPolarHBondContact CB-OD1 3.49Å; N398-D440 WeakPolarHBondContact CB-OD2 3.43Å; N398-D440 VanDerWaalsContact ND2-CG 3.26Å; N398-D440 PolarHBondContact ND2-OD1 2.87Å; N398-D440 PolarHBondContact ND2-OD2 2.87Å |
| 399 | T | 96.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 168 | -176 | 57.6 | 0 | 0 | 0 | 0 | 112 | H394 S397 L436 V437 | H394-T399 VanDerWaalsContact CB-O 3.22Å; H394-T399 WeakPolarHBondContact CB-O 3.31Å; H394-T399 PolarHBondContact N-O 3.21Å; S397-T399 PolarHBondContact O-N 3.43Å; S397-T399 PolarHBondContact OG-OG1 3.07Å; T399-L436 HydrophobicContact CG2-CB 4.46Å; T399-L436 HydrophobicContact CG2-CD1 4.08Å; T399-V437 WeakPolarHBondContact CA-O 3.45Å |
| 400 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.8 | 177 | -64.6 | 159 | 0 | 0 | 0 | 111.3 | I391 C392 F410 W429 V437 A439 L475 | I391-L400 HydrophobicContact CG2-CB 4.11Å; I391-L400 HydrophobicContact CG2-CD2 4.33Å; C392-L400 CarbonylContact O-C 3.56Å; C392-L400 VanDerWaalsContact O-CA 3.3Å; C392-L400 WeakPolarHBondContact O-CA 3.44Å; L400-F410 HydrophobicContact CD2-CE1 4.17Å; L400-F410 HydrophobicContact CD2-CZ 4.14Å; L400-W429 HydrophobicContact CD1-CD2 3.55Å; L400-W429 HydrophobicContact CD1-CE3 3.82Å; L400-W429 HydrophobicContact CD1-CG 4.2Å; L400-W429 HydrophobicContact CD1-CH2 3.78Å; L400-W429 HydrophobicContact CD1-CZ2 3.47Å; L400-W429 VanDerWaalsContact CD1-CZ2 3.47Å; L400-W429 HydrophobicContact CD1-CZ3 3.93Å; L400-W429 HydrophobicContact CD2-CZ2 3.97Å; L400-W429 HydrophobicContact CG-CZ2 4.37Å; L400-V437 HydrophobicContact CD1-CB 4.19Å; L400-V437 HydrophobicContact CD1-CG1 3.68Å; L400-V437 PolarHBondContact N-O 2.84Å; L400-A439 HydrophobicContact CD1-CB 4.39Å; L400-A439 HydrophobicContact CD2-CB 4.07Å; L400-A439 HydrophobicContact CG-CB 4.27Å; L400-L475 HydrophobicContact CB-CB 3.93Å; L400-L475 HydrophobicContact CB-CD2 3.97Å; L400-L475 HydrophobicContact CD1-CD2 3.76Å; L400-L475 WeakPolarHBondContact O-CB 3.5Å; L400-L475 PolarHBondContact O-N 2.91Å |
| 401 | D | 95.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 150.6 | 166.8 | -69 | -24.4 | 0 | 0 | 0 | 109.3 | I391 C392 H394 R404 G473 | I391-D401 CarbonylContact C-O 3.53Å; I391-D401 WeakPolarHBondContact CA-O 3.24Å; I391-D401 WeakPolarHBondContact CG2-O 3.43Å; C392-D401 PolarHBondContact N-O 2.85Å; C392-D401 PolarHBondContact O-N 2.71Å; H394-D401 IonicContact CD2-OD1 2.7Å; H394-D401 PolarHBondContact CD2-OD1 2.98Å; H394-D401 VanDerWaalsContact CD2-OD1 3.28Å; H394-D401 IonicContact CD2-OD2 3.12Å; H394-D401 PolarHBondContact CD2-OD2 3.38Å; H394-D401 IonicContact CG-OD1 3.78Å; D401-R404 HydrophobicContact CB-CG 3.83Å; D401-R404 IonicContact OD2-NH1 3.53Å; D401-R404 PolarHBondContact OD2-NH1 3.21Å; D401-G473 CarbonylContact C-O 3.59Å; D401-G473 WeakPolarHBondContact CA-O 3.07Å |
| 402 | A | 95.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 27 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F390 I391 G473 L475 W488 | F390-A402 CarbonylContact O-C 3.59Å; I391-A402 HydrophobicContact CG1-CB 4.33Å; A402-G473 PolarHBondContact N-O 3.43Å; A402-L475 HydrophobicContact CB-CB 4.43Å; A402-L475 HydrophobicContact CB-CD1 4.44Å; A402-W488 HydrophobicContact CB-CH2 3.71Å; A402-W488 HydrophobicContact CB-CZ3 4Å |
| 403 | S | 91.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 24.9 | -173.7 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | N388 F390 | N388-S403 CarbonylContact O-C 3.51Å; N388-S403 VanDerWaalsContact O-CA 3.3Å; N388-S403 WeakPolarHBondContact O-CA 3.26Å; F390-S403 PolarHBondContact O-N 3.09Å |
| 404 | R | 89.8 | Confident | 93.3 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 148.9 | -173.6 | -57.7 | -65 | -66.7 | -139.7 | 3 | 111.7 | G389 F390 C392 D401 V406 | G389-R404 CarbonylContact C-O 3.59Å; G389-R404 WeakPolarHBondContact CA-O 3.21Å; F390-R404 PolarHBondContact N-O 2.72Å; F390-R404 PolarHBondContact O-N 3.03Å; F390-R404 VanDerWaalsContact O-N 3.16Å; C392-R404 HydrophobicContact CB-CB 4.44Å; C392-R404 HydrophobicContact CB-CG 3.84Å; D401-R404 HydrophobicContact CB-CG 3.83Å; D401-R404 IonicContact OD2-NH1 3.53Å; D401-R404 PolarHBondContact OD2-NH1 3.21Å; R404-V406 VanDerWaalsContact CB-O 3.27Å; R404-V406 WeakPolarHBondContact CB-O 3.26Å |
| 405 | S | 83.8 | Confident | 93.3 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -83 | -17.1 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | H132 | H132-S405 PolarHBondContact CE1-O 3.38Å; H132-S405 PolarHBondContact ND1-O 3.06Å |
| 406 | V | 88.2 | Confident | 93.4 | Very high | 55 Ų | 55 | 46.1 Ų | 46.1 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -111.1 | 162.7 | 172.7 | -64.3 | 0 | 0 | 0 | 0 | 108.8 | Y177 F390 C392 R404 | Y177-V406 HydrophobicContact CD1-CG1 4.45Å; F390-V406 VanDerWaalsContact CB-O 3.28Å; F390-V406 WeakPolarHBondContact CB-O 3.43Å; C392-V406 PolarHBondContact SG-O 3.09Å; R404-V406 VanDerWaalsContact CB-O 3.27Å; R404-V406 WeakPolarHBondContact CB-O 3.26Å |
| 407 | Y | 93.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | trans | -121.3 | 146.1 | -177 | 37.4 | -88.1 | 0 | 0 | 0 | 111.4 | P137 L175 Y177 I383 F390 | P137-Y407 HydrophobicContact CB-CE1 4.13Å; P137-Y407 HydrophobicContact CB-CE2 3.95Å; P137-Y407 HydrophobicContact CG-CD1 3.67Å; P137-Y407 HydrophobicContact CG-CD2 4.23Å; P137-Y407 HydrophobicContact CG-CE1 3.37Å; P137-Y407 HydrophobicContact CG-CE2 3.95Å; P137-Y407 HydrophobicContact CG-CG 4.09Å; L175-Y407 PolarHBondContact O-OH 3.08Å; Y177-Y407 VanDerWaalsContact CB-OH 3.31Å; Y177-Y407 WeakPolarHBondContact CB-OH 3.44Å; Y177-Y407 PolarHBondContact N-OH 2.99Å; I383-Y407 HydrophobicContact CD1-CD2 3.79Å; I383-Y407 HydrophobicContact CD1-CE2 4.19Å; I383-Y407 HydrophobicContact CD1-CG 4.48Å; I383-Y407 HydrophobicContact CG2-CD2 4.35Å; I383-Y407 HydrophobicContact CG2-CG 4.02Å; F390-Y407 HydrophobicContact CD1-CD1 4.06Å; F390-Y407 HydrophobicContact CD1-CG 4.23Å; F390-Y407 AromaticContact CD2-CD1 3.98Å; F390-Y407 HydrophobicContact CD2-CD1 3.98Å; F390-Y407 AromaticContact CE1-CD1 3.77Å; F390-Y407 HydrophobicContact CE1-CD1 3.77Å; F390-Y407 HydrophobicContact CE1-CG 4.25Å; F390-Y407 AromaticContact CE2-CD1 3.72Å; F390-Y407 HydrophobicContact CE2-CD1 3.72Å; F390-Y407 HydrophobicContact CE2-CE1 4.4Å; F390-Y407 HydrophobicContact CG-CD1 4.14Å; F390-Y407 HydrophobicContact CG-CG 4.42Å; F390-Y407 AromaticContact CZ-CD1 3.59Å; F390-Y407 HydrophobicContact CZ-CD1 3.59Å; F390-Y407 HydrophobicContact CZ-CE1 4.19Å; F390-Y407 HydrophobicContact CZ-CG 4.5Å | ||
| 408 | D | 95.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 22% | 0.219 | 21% | 0.213 | C | C | . | . | trans | -92.4 | 156.8 | 161.4 | -73.4 | -18.3 | 0 | 0 | 0 | 110 | C392 H393 F410 V424 | C392-D408 VanDerWaalsContact CA-OD2 3.28Å; C392-D408 WeakPolarHBondContact CA-OD2 3.23Å; C392-D408 HydrophobicContact CB-CB 4.43Å; C392-D408 WeakPolarHBondContact CB-OD2 3.36Å; C392-D408 PolarHBondContact SG-N 2.79Å; H393-D408 PolarHBondContact N-OD2 2.8Å; D408-F410 HydrophobicContact CB-CE1 3.9Å; D408-F410 HydrophobicContact CB-CE2 4.18Å; D408-F410 HydrophobicContact CB-CZ 3.62Å; D408-V424 HydrophobicContact CB-CG1 3.79Å | ||
| 409 | I | 96.7 | Very high | 93.5 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 18% | 0.179 | 20% | 0.201 | C | C | . | . | trans | -108 | 109.7 | 177.3 | -51.5 | 178.6 | 0 | 0 | 0 | 107.5 | T174 V176 K185 M381 I383 | T174-I409 HydrophobicContact CG2-CD1 4.09Å; V176-I409 HydrophobicContact CG2-CD1 3.72Å; K185-I409 HydrophobicContact CD-CD1 4.13Å; M381-I409 HydrophobicContact CB-CG2 3.68Å; M381-I409 HydrophobicContact CG-CG2 3.84Å; M381-I409 HydrophobicContact SD-CG2 3.75Å; I383-I409 HydrophobicContact CD1-CG1 4.07Å; I383-I409 HydrophobicContact CG1-CG1 4.21Å | ||
| 410 | F | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 158.9 | 177.3 | -54 | -65.4 | 0 | 0 | 0 | 110.6 | M381 L382 I391 L400 D408 I421 K422 W429 | M381-F410 CarbonylContact C-O 3.6Å; M381-F410 VanDerWaalsContact CA-O 3.27Å; M381-F410 WeakPolarHBondContact CA-O 3.38Å; L382-F410 HydrophobicContact CB-CB 4.35Å; L382-F410 PolarHBondContact N-O 3.1Å; L382-F410 WeakPolarHBondContact O-CB 3.28Å; L382-F410 WeakPolarHBondContact O-CD2 3.26Å; L382-F410 PolarHBondContact O-N 3.36Å; I391-F410 HydrophobicContact CB-CE2 4.24Å; I391-F410 HydrophobicContact CG2-CE2 4.07Å; I391-F410 HydrophobicContact CG2-CZ 4.16Å; I391-F410 WeakPolarHBondContact O-CE2 3.35Å; L400-F410 HydrophobicContact CD2-CE1 4.17Å; L400-F410 HydrophobicContact CD2-CZ 4.14Å; D408-F410 HydrophobicContact CB-CE1 3.9Å; D408-F410 HydrophobicContact CB-CE2 4.18Å; D408-F410 HydrophobicContact CB-CZ 3.62Å; F410-I421 HydrophobicContact CB-CG2 3.85Å; F410-I421 HydrophobicContact CG-CG2 4.35Å; F410-K422 WeakPolarHBondContact CA-O 3.46Å; F410-K422 WeakPolarHBondContact CB-O 3.38Å; F410-W429 AromaticContact CD1-CZ2 3.72Å; F410-W429 HydrophobicContact CD1-CZ2 3.72Å; F410-W429 AromaticContact CD1-NE1 3.77Å; F410-W429 HydrophobicContact CD2-CH2 4.21Å; F410-W429 AromaticContact CD2-CZ2 3.68Å; F410-W429 HydrophobicContact CD2-CZ2 3.68Å; F410-W429 AromaticContact CE1-CZ2 3.66Å; F410-W429 HydrophobicContact CE1-CZ2 3.66Å; F410-W429 AromaticContact CE1-NE1 3.98Å; F410-W429 HydrophobicContact CE2-CH2 4.12Å; F410-W429 AromaticContact CE2-CZ2 3.62Å; F410-W429 HydrophobicContact CE2-CZ2 3.62Å; F410-W429 AromaticContact CG-CZ2 3.73Å; F410-W429 HydrophobicContact CG-CZ2 3.73Å; F410-W429 HydrophobicContact CZ-CH2 4.44Å; F410-W429 AromaticContact CZ-CZ2 3.6Å; F410-W429 HydrophobicContact CZ-CZ2 3.6Å |
| 411 | T | 97.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 37% | 0.368 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.9 | 170.9 | -54.9 | 0 | 0 | 0 | 0 | 109.4 | Q413 I421 K422 | T411-Q413 HydrophobicContact CG2-CG 4.12Å; T411-I421 CarbonylContact O-C 3.6Å; T411-I421 WeakPolarHBondContact O-CA 3.3Å; T411-K422 PolarHBondContact N-O 3.3Å; T411-K422 PolarHBondContact O-N 3.5Å |
| 412 | L | 97.8 | Very high | 93.7 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.9 | 175.6 | -172 | 65.5 | 0 | 0 | 0 | 109.4 | L376 R379 P380 L382 Y419 I421 L449 | L376-L412 HydrophobicContact CD2-CD2 4.49Å; R379-L412 HydrophobicContact CB-CD2 4.28Å; R379-L412 VanDerWaalsContact O-CB 3.27Å; R379-L412 WeakPolarHBondContact O-CB 3.31Å; R379-L412 WeakPolarHBondContact O-CD2 3.19Å; P380-L412 PolarHBondContact O-N 3.08Å; L382-L412 HydrophobicContact CB-CB 4.26Å; L382-L412 HydrophobicContact CD2-CD1 4.21Å; L412-Y419 HydrophobicContact CD1-CD1 3.77Å; L412-Y419 HydrophobicContact CD1-CG 4.09Å; L412-Y419 HydrophobicContact CD2-CD1 3.81Å; L412-Y419 HydrophobicContact CD2-CE1 4.09Å; L412-Y419 HydrophobicContact CG-CD1 3.72Å; L412-Y419 HydrophobicContact CG-CE1 4.43Å; L412-I421 HydrophobicContact CD1-CG1 3.87Å; L412-L449 HydrophobicContact CD1-CD1 4.23Å; L412-L449 HydrophobicContact CD2-CD1 3.79Å |
| 413 | Q | 96.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 37 Ų | 37 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.7 | 177.4 | -56.8 | -171.6 | -38 | 0 | 0 | 108.9 | T411 Y419 H420 K422 | T411-Q413 HydrophobicContact CG2-CG 4.12Å; Q413-Y419 CarbonylContact O-C 3.46Å; Q413-Y419 VanDerWaalsContact O-CA 3.28Å; Q413-Y419 WeakPolarHBondContact O-CA 3.44Å; Q413-H420 HydrophobicContact CB-CB 4.33Å; Q413-H420 PolarHBondContact N-O 2.79Å; Q413-H420 PolarHBondContact O-N 2.91Å; Q413-K422 VanDerWaalsContact OE1-CE 3.25Å |
| 414 | Y | 95.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 39 Ų | 39 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.9 | 176 | 174.7 | -95.1 | 0 | 0 | 0 | 109.9 | T373 K375 G417 A418 Y419 | T373-Y414 WeakPolarHBondContact CG2-OH 3.47Å; K375-Y414 HydrophobicContact CB-CD2 4.26Å; K375-Y414 HydrophobicContact CB-CE1 4.31Å; K375-Y414 HydrophobicContact CB-CE2 3.97Å; K375-Y414 HydrophobicContact CD-CD1 3.68Å; K375-Y414 HydrophobicContact CD-CE1 3.87Å; K375-Y414 HydrophobicContact CD-CG 4.05Å; K375-Y414 HydrophobicContact CG-CD1 3.88Å; K375-Y414 HydrophobicContact CG-CD2 3.89Å; K375-Y414 HydrophobicContact CG-CE1 4.08Å; K375-Y414 HydrophobicContact CG-CE2 4.09Å; K375-Y414 HydrophobicContact CG-CG 3.76Å; Y414-G417 WeakPolarHBondContact OH-CA 3.34Å; Y414-G417 PolarHBondContact OH-N 3.06Å; Y414-G417 VanDerWaalsContact OH-N 3.16Å; Y414-A418 WeakPolarHBondContact CD2-O 3.3Å; Y414-Y419 HydrophobicContact CD2-CD1 4.16Å; Y414-Y419 AromaticContact CD2-CE1 3.77Å; Y414-Y419 HydrophobicContact CD2-CE1 3.77Å; Y414-Y419 HydrophobicContact CD2-CE2 4.27Å; Y414-Y419 AromaticContact CD2-CZ 3.82Å; Y414-Y419 HydrophobicContact CG-CE1 4.46Å |
| 415 | S | 92.1 | Very high | 93.8 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 37% | 0.371 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 122.5 | 176.2 | -173 | 0 | 0 | 0 | 0 | 109.8 | G417 A418 | S415-G417 VanDerWaalsContact C-N 3.29Å; S415-G417 PolarHBondContact O-N 2.95Å; S415-G417 VanDerWaalsContact O-N 3.09Å; S415-A418 PolarHBondContact N-O 2.95Å; S415-A418 PolarHBondContact O-N 3.25Å; S415-A418 VanDerWaalsContact O-O 3.13Å |
| 416 | S | 85.9 | Confident | 94.3 | Very high | 118 Ų | 118 | 39.9 Ų | 39.9 | 83% | 0.825 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.2 | 169.5 | -57.4 | 0 | 0 | 0 | 0 | 116.2 | A418 | S416-A418 VanDerWaalsContact C-N 3.34Š|
| 417 | G | 85.4 | Confident | 94.7 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 3.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H339 Y414 S415 | H339-G417 PolarHBondContact ND1-O 3.46Å; Y414-G417 WeakPolarHBondContact OH-CA 3.34Å; Y414-G417 PolarHBondContact OH-N 3.06Å; Y414-G417 VanDerWaalsContact OH-N 3.16Å; S415-G417 VanDerWaalsContact C-N 3.29Å; S415-G417 PolarHBondContact O-N 2.95Å; S415-G417 VanDerWaalsContact O-N 3.09Å |
| 418 | A | 94.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 168.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | Y414 S415 S416 D446 | Y414-A418 WeakPolarHBondContact CD2-O 3.3Å; S415-A418 PolarHBondContact N-O 2.95Å; S415-A418 PolarHBondContact O-N 3.25Å; S415-A418 VanDerWaalsContact O-O 3.13Å; S416-A418 VanDerWaalsContact C-N 3.34Å; A418-D446 HydrophobicContact CB-CB 3.73Å |
| 419 | Y | 97.6 | Very high | 95 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.2 | 176.2 | -63.8 | -91.2 | 0 | 0 | 0 | 110.6 | L374 K375 L376 L412 Q413 Y414 F447 L449 | L374-Y419 PolarHBondContact O-OH 3.36Å; K375-Y419 WeakPolarHBondContact CA-OH 3.42Å; L376-Y419 HydrophobicContact CB-CE1 4.36Å; L376-Y419 PolarHBondContact N-OH 2.96Å; L412-Y419 HydrophobicContact CD1-CD1 3.77Å; L412-Y419 HydrophobicContact CD1-CG 4.09Å; L412-Y419 HydrophobicContact CD2-CD1 3.81Å; L412-Y419 HydrophobicContact CD2-CE1 4.09Å; L412-Y419 HydrophobicContact CG-CD1 3.72Å; L412-Y419 HydrophobicContact CG-CE1 4.43Å; Q413-Y419 CarbonylContact O-C 3.46Å; Q413-Y419 VanDerWaalsContact O-CA 3.28Å; Q413-Y419 WeakPolarHBondContact O-CA 3.44Å; Y414-Y419 HydrophobicContact CD2-CD1 4.16Å; Y414-Y419 AromaticContact CD2-CE1 3.77Å; Y414-Y419 HydrophobicContact CD2-CE1 3.77Å; Y414-Y419 HydrophobicContact CD2-CE2 4.27Å; Y414-Y419 AromaticContact CD2-CZ 3.82Å; Y414-Y419 HydrophobicContact CG-CE1 4.46Å; Y419-F447 PolarHBondContact N-O 2.87Å; Y419-F447 PolarHBondContact O-N 2.86Å; Y419-L449 HydrophobicContact CD1-CD1 3.88Å; Y419-L449 HydrophobicContact CD1-CG 4.49Å; Y419-L449 HydrophobicContact CD2-CB 4.08Å; Y419-L449 HydrophobicContact CD2-CD1 3.82Å; Y419-L449 HydrophobicContact CD2-CG 3.56Å; Y419-L449 HydrophobicContact CE1-CD1 3.98Å; Y419-L449 HydrophobicContact CE2-CB 3.93Å; Y419-L449 HydrophobicContact CE2-CD1 3.94Å; Y419-L449 HydrophobicContact CE2-CG 3.86Å; Y419-L449 HydrophobicContact CG-CD1 3.78Å; Y419-L449 HydrophobicContact CG-CG 3.9Å |
| 420 | H | 98.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.4 | 170.9 | -51 | 145.5 | 0 | 0 | 0 | 108.1 | Q413 F428 P444 E445 D446 | Q413-H420 HydrophobicContact CB-CB 4.33Å; Q413-H420 PolarHBondContact N-O 2.79Å; Q413-H420 PolarHBondContact O-N 2.91Å; H420-F428 HydrophobicContact CB-CD1 3.97Å; H420-F428 HydrophobicContact CB-CE1 3.79Å; H420-P444 HydrophobicContact CB-CB 4.04Å; H420-P444 VanDerWaalsContact CG-CB 3.47Å; H420-P444 WeakPolarHBondContact ND1-CB 3.45Å; H420-E445 PolarHBondContact CD2-O 2.86Å; H420-D446 IonicContact CD2-OD1 3.6Å; H420-D446 PolarHBondContact CD2-OD1 3.46Å; H420-D446 IonicContact CE1-OD1 3.63Å; H420-D446 IonicContact NE2-OD1 2.76Å; H420-D446 PolarHBondContact NE2-OD1 3.33Å |
| 421 | I | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.4 | -179.8 | -53.3 | 173 | 0 | 0 | 0 | 107.6 | L382 F410 T411 L412 F428 W429 F447 I459 | L382-I421 HydrophobicContact CD2-CD1 4.18Å; L382-I421 HydrophobicContact CD2-CG1 4.45Å; F410-I421 HydrophobicContact CB-CG2 3.85Å; F410-I421 HydrophobicContact CG-CG2 4.35Å; T411-I421 CarbonylContact O-C 3.6Å; T411-I421 WeakPolarHBondContact O-CA 3.3Å; L412-I421 HydrophobicContact CD1-CG1 3.87Å; I421-F428 CarbonylContact O-C 3.53Å; I421-F428 WeakPolarHBondContact O-CA 3.35Å; I421-W429 HydrophobicContact CB-CB 4.1Å; I421-W429 HydrophobicContact CB-CD2 3.86Å; I421-W429 HydrophobicContact CB-CE3 4.15Å; I421-W429 HydrophobicContact CB-CG 3.84Å; I421-W429 HydrophobicContact CD1-CD2 4.34Å; I421-W429 HydrophobicContact CD1-CE3 3.74Å; I421-W429 HydrophobicContact CD1-CZ3 3.96Å; I421-W429 HydrophobicContact CG2-CD2 3.56Å; I421-W429 HydrophobicContact CG2-CE3 4.01Å; I421-W429 HydrophobicContact CG2-CG 3.86Å; I421-W429 HydrophobicContact CG2-CH2 4.36Å; I421-W429 HydrophobicContact CG2-CZ2 3.98Å; I421-W429 HydrophobicContact CG2-CZ3 4.39Å; I421-W429 PolarHBondContact O-N 2.83Å; I421-F447 HydrophobicContact CD1-CD2 4.47Å; I421-F447 HydrophobicContact CG1-CD2 4.47Å; I421-I459 HydrophobicContact CD1-CD1 4.25Å |
| 422 | K | 97.7 | Very high | 95 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 21% | 0.213 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.3 | 172 | -63.3 | 179.4 | 165.6 | -172.1 | 0 | 111.3 | F410 T411 Q413 G426 R427 F428 | F410-K422 WeakPolarHBondContact CA-O 3.46Å; F410-K422 WeakPolarHBondContact CB-O 3.38Å; T411-K422 PolarHBondContact N-O 3.3Å; T411-K422 PolarHBondContact O-N 3.5Å; Q413-K422 VanDerWaalsContact OE1-CE 3.25Å; K422-G426 WeakPolarHBondContact CD-O 3.41Å; K422-R427 CarbonylContact C-O 3.44Å; K422-R427 WeakPolarHBondContact CA-O 3.39Å; K422-F428 HydrophobicContact CD-CE1 4.06Å; K422-F428 HydrophobicContact CD-CZ 4.31Å; K422-F428 HydrophobicContact CG-CD1 3.64Å; K422-F428 HydrophobicContact CG-CE1 3.59Å; K422-F428 HydrophobicContact CG-CG 4.34Å; K422-F428 HydrophobicContact CG-CZ 4.26Å |
| 423 | G | 95.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -60.7 | 173.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D425 G426 R427 | G423-D425 PolarHBondContact O-N 3.17Å; G423-G426 PolarHBondContact O-N 3.35Å; G423-R427 PolarHBondContact N-O 3.03Å | ||
| 424 | V | 91.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 45.8 Ų | 45.8 | 53% | 0.527 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.1 | 179.8 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | H393 D408 | H393-V424 HydrophobicContact CB-CG2 4.5Å; D408-V424 HydrophobicContact CB-CG1 3.79Å |
| 425 | D | 91 | Very high | 94.8 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.6 | 178.4 | 62.2 | 1.1 | 0 | 0 | 0 | 113.3 | G423 R427 | G423-D425 PolarHBondContact O-N 3.17Å; D425-R427 VanDerWaalsContact C-N 3.35Å; D425-R427 WeakPolarHBondContact OD1-CB 3.35Å; D425-R427 PolarHBondContact OD1-N 2.71Å; D425-R427 IonicContact OD1-NE 3.83Å; D425-R427 IonicContact OD2-CZ 2.83Å; D425-R427 IonicContact OD2-NE 2.9Å; D425-R427 PolarHBondContact OD2-NE 2.6Å; D425-R427 IonicContact OD2-NH2 3.48Å; D425-R427 PolarHBondContact OD2-NH2 2.71Å |
| 426 | G | 93.6 | Very high | 95 | Very high | 40 Ų | 40 | 43 Ų | 43 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 85.4 | -2.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K422 G423 | K422-G426 WeakPolarHBondContact CD-O 3.41Å; G423-G426 PolarHBondContact O-N 3.35Å |
| 427 | R | 97.1 | Very high | 95.6 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -79.1 | 159.5 | 173.5 | -68.7 | -174.6 | -67.5 | -178.2 | -0.9 | 111.3 | K422 G423 D425 A439 | K422-R427 CarbonylContact C-O 3.44Å; K422-R427 WeakPolarHBondContact CA-O 3.39Å; G423-R427 PolarHBondContact N-O 3.03Å; D425-R427 VanDerWaalsContact C-N 3.35Å; D425-R427 WeakPolarHBondContact OD1-CB 3.35Å; D425-R427 PolarHBondContact OD1-N 2.71Å; D425-R427 IonicContact OD1-NE 3.83Å; D425-R427 IonicContact OD2-CZ 2.83Å; D425-R427 IonicContact OD2-NE 2.9Å; D425-R427 PolarHBondContact OD2-NE 2.6Å; D425-R427 IonicContact OD2-NH2 3.48Å; D425-R427 PolarHBondContact OD2-NH2 2.71Å; R427-A439 WeakPolarHBondContact CB-O 3.2Å |
| 428 | F | 98.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 149.8 | -172.9 | -68.7 | -80 | 0 | 0 | 0 | 113.4 | H420 I421 K422 A439 G441 A443 P444 | H420-F428 HydrophobicContact CB-CD1 3.97Å; H420-F428 HydrophobicContact CB-CE1 3.79Å; I421-F428 CarbonylContact O-C 3.53Å; I421-F428 WeakPolarHBondContact O-CA 3.35Å; K422-F428 HydrophobicContact CD-CE1 4.06Å; K422-F428 HydrophobicContact CD-CZ 4.31Å; K422-F428 HydrophobicContact CG-CD1 3.64Å; K422-F428 HydrophobicContact CG-CE1 3.59Å; K422-F428 HydrophobicContact CG-CG 4.34Å; K422-F428 HydrophobicContact CG-CZ 4.26Å; F428-A439 CarbonylContact O-C 3.59Å; F428-G441 PolarHBondContact N-O 2.93Å; F428-G441 WeakPolarHBondContact O-CA 3.47Å; F428-G441 PolarHBondContact O-N 2.85Å; F428-A443 WeakPolarHBondContact CB-O 3.29Å; F428-P444 HydrophobicContact CD1-CB 3.93Å; F428-P444 HydrophobicContact CD2-CB 4.44Å; F428-P444 HydrophobicContact CE1-CB 3.76Å; F428-P444 HydrophobicContact CE2-CB 4.3Å; F428-P444 HydrophobicContact CG-CB 4.24Å; F428-P444 HydrophobicContact CZ-CB 3.93Å; F428-P444 HydrophobicContact CZ-CG 4.36Å |
| 429 | W | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144.4 | 165.9 | -72.3 | 23.8 | 0 | 0 | 0 | 110.8 | L384 I391 L400 F410 I421 V437 C438 E445 F447 L467 L475 | L384-W429 HydrophobicContact CD1-CH2 4.09Å; L384-W429 HydrophobicContact CD1-CZ3 4.41Å; I391-W429 HydrophobicContact CD1-CH2 4.36Å; I391-W429 HydrophobicContact CG2-CH2 3.81Å; I391-W429 HydrophobicContact CG2-CZ2 4.2Å; L400-W429 HydrophobicContact CD1-CD2 3.55Å; L400-W429 HydrophobicContact CD1-CE3 3.82Å; L400-W429 HydrophobicContact CD1-CG 4.2Å; L400-W429 HydrophobicContact CD1-CH2 3.78Å; L400-W429 HydrophobicContact CD1-CZ2 3.47Å; L400-W429 VanDerWaalsContact CD1-CZ2 3.47Å; L400-W429 HydrophobicContact CD1-CZ3 3.93Å; L400-W429 HydrophobicContact CD2-CZ2 3.97Å; L400-W429 HydrophobicContact CG-CZ2 4.37Å; F410-W429 AromaticContact CD1-CZ2 3.72Å; F410-W429 HydrophobicContact CD1-CZ2 3.72Å; F410-W429 AromaticContact CD1-NE1 3.77Å; F410-W429 HydrophobicContact CD2-CH2 4.21Å; F410-W429 AromaticContact CD2-CZ2 3.68Å; F410-W429 HydrophobicContact CD2-CZ2 3.68Å; F410-W429 AromaticContact CE1-CZ2 3.66Å; F410-W429 HydrophobicContact CE1-CZ2 3.66Å; F410-W429 AromaticContact CE1-NE1 3.98Å; F410-W429 HydrophobicContact CE2-CH2 4.12Å; F410-W429 AromaticContact CE2-CZ2 3.62Å; F410-W429 HydrophobicContact CE2-CZ2 3.62Å; F410-W429 AromaticContact CG-CZ2 3.73Å; F410-W429 HydrophobicContact CG-CZ2 3.73Å; F410-W429 HydrophobicContact CZ-CH2 4.44Å; F410-W429 AromaticContact CZ-CZ2 3.6Å; F410-W429 HydrophobicContact CZ-CZ2 3.6Å; I421-W429 HydrophobicContact CB-CB 4.1Å; I421-W429 HydrophobicContact CB-CD2 3.86Å; I421-W429 HydrophobicContact CB-CE3 4.15Å; I421-W429 HydrophobicContact CB-CG 3.84Å; I421-W429 HydrophobicContact CD1-CD2 4.34Å; I421-W429 HydrophobicContact CD1-CE3 3.74Å; I421-W429 HydrophobicContact CD1-CZ3 3.96Å; I421-W429 HydrophobicContact CG2-CD2 3.56Å; I421-W429 HydrophobicContact CG2-CE3 4.01Å; I421-W429 HydrophobicContact CG2-CG 3.86Å; I421-W429 HydrophobicContact CG2-CH2 4.36Å; I421-W429 HydrophobicContact CG2-CZ2 3.98Å; I421-W429 HydrophobicContact CG2-CZ3 4.39Å; I421-W429 PolarHBondContact O-N 2.83Å; W429-V437 HydrophobicContact CD2-CG1 4.36Å; W429-V437 HydrophobicContact CE3-CG1 3.92Å; W429-C438 CarbonylContact C-O 3.49Å; W429-C438 WeakPolarHBondContact CA-O 3.33Å; W429-E445 WeakPolarHBondContact O-CB 3.24Å; W429-F447 HydrophobicContact CB-CE2 3.93Å; W429-F447 HydrophobicContact CB-CZ 4.1Å; W429-L467 HydrophobicContact CE3-CD1 4.43Å; W429-L467 HydrophobicContact CZ3-CD1 4.35Å; W429-L475 HydrophobicContact CE3-CD2 4.49Å; W429-L475 HydrophobicContact CH2-CD2 4.13Å; W429-L475 HydrophobicContact CZ3-CD2 3.8Å |
| 430 | Y | 98.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 161.5 | 169.9 | 66.4 | -82.7 | 0 | 0 | 0 | 110.8 | N432 V437 C438 D440 E445 | Y430-N432 HydrophobicContact CD2-CB 4.38Å; Y430-N432 HydrophobicContact CE2-CB 3.88Å; Y430-V437 WeakPolarHBondContact O-CA 3.32Å; Y430-C438 HydrophobicContact CD1-CB 4.14Å; Y430-C438 HydrophobicContact CE1-CB 3.54Å; Y430-C438 HydrophobicContact CE2-CB 3.97Å; Y430-C438 VanDerWaalsContact CZ-CB 3.42Å; Y430-C438 PolarHBondContact N-O 2.96Å; Y430-C438 PolarHBondContact O-N 2.96Å; Y430-D440 WeakPolarHBondContact CE1-OD1 3.49Å; Y430-D440 PolarHBondContact OH-OD1 2.84Å; Y430-E445 VanDerWaalsContact CB-OE2 3.31Å; Y430-E445 WeakPolarHBondContact CB-OE2 3.26Å |
| 431 | V | 97.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.2 | 171.7 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | L436 V437 E445 F447 L467 | V431-L436 WeakPolarHBondContact CA-O 3.36Å; V431-V437 HydrophobicContact CG2-CG2 4.45Å; V431-E445 PolarHBondContact N-OE1 3.15Å; V431-F447 HydrophobicContact CG2-CE1 4.19Å; V431-L467 HydrophobicContact CG2-CD2 4.04Å |
| 432 | N | 96.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | trans | -75.9 | 173.5 | 179.3 | 78.6 | 10.3 | 0 | 0 | 0 | 112.3 | Y430 G434 G435 L436 | Y430-N432 HydrophobicContact CD2-CB 4.38Å; Y430-N432 HydrophobicContact CE2-CB 3.88Å; N432-G434 PolarHBondContact O-N 2.99Å; N432-G434 WeakPolarHBondContact OD1-CA 3.42Å; N432-G434 PolarHBondContact OD1-N 2.9Å; N432-G435 PolarHBondContact O-N 3.01Å; N432-G435 PolarHBondContact OD1-N 2.86Å; N432-G435 VanDerWaalsContact OD1-N 3.12Å; N432-L436 PolarHBondContact N-O 2.85Å; N432-L436 PolarHBondContact OD1-N 2.97Å | ||
| 433 | S | 94.2 | Very high | 96 | Very high | 140 Ų | 140 | 46.3 Ų | 46.3 | 98% | 0.979 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | G435 | S433-G435 VanDerWaalsContact C-N 3.29Š|
| 434 | G | 94.3 | Very high | 96.1 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | N432 L436 | N432-G434 PolarHBondContact O-N 2.99Å; N432-G434 WeakPolarHBondContact OD1-CA 3.42Å; N432-G434 PolarHBondContact OD1-N 2.9Å; G434-L436 VanDerWaalsContact C-N 3.3Å; G434-L436 PolarHBondContact O-N 3.45Å |
| 435 | G | 95.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 76.3 | 12.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N432 S433 K476 G477 | N432-G435 PolarHBondContact O-N 3.01Å; N432-G435 PolarHBondContact OD1-N 2.86Å; N432-G435 VanDerWaalsContact OD1-N 3.12Å; S433-G435 VanDerWaalsContact C-N 3.29Å; G435-K476 CarbonylContact O-C 3.45Å; G435-K476 VanDerWaalsContact O-CA 3.28Å; G435-K476 WeakPolarHBondContact O-CA 3.42Å; G435-K476 WeakPolarHBondContact O-CB 3.46Å; G435-G477 PolarHBondContact O-N 2.79Å |
| 436 | L | 97.1 | Very high | 96.6 | Very high | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 145.8 | 172.1 | -56.8 | 179.1 | 0 | 0 | 0 | 109.9 | T399 V431 N432 G434 T474 K476 | T399-L436 HydrophobicContact CG2-CB 4.46Å; T399-L436 HydrophobicContact CG2-CD1 4.08Å; V431-L436 WeakPolarHBondContact CA-O 3.36Å; N432-L436 PolarHBondContact N-O 2.85Å; N432-L436 PolarHBondContact OD1-N 2.97Å; G434-L436 VanDerWaalsContact C-N 3.3Å; G434-L436 PolarHBondContact O-N 3.45Å; L436-T474 HydrophobicContact CD2-CG2 4.13Å; L436-K476 HydrophobicContact CD2-CD 4.26Å; L436-K476 HydrophobicContact CD2-CG 3.94Å |
| 437 | V | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123.6 | 169.9 | -166.8 | 0 | 0 | 0 | 0 | 108.8 | T399 L400 W429 Y430 V431 L467 L475 | T399-V437 WeakPolarHBondContact CA-O 3.45Å; L400-V437 HydrophobicContact CD1-CB 4.19Å; L400-V437 HydrophobicContact CD1-CG1 3.68Å; L400-V437 PolarHBondContact N-O 2.84Å; W429-V437 HydrophobicContact CD2-CG1 4.36Å; W429-V437 HydrophobicContact CE3-CG1 3.92Å; Y430-V437 WeakPolarHBondContact O-CA 3.32Å; V431-V437 HydrophobicContact CG2-CG2 4.45Å; V437-L467 HydrophobicContact CG2-CD1 4.28Å; V437-L467 HydrophobicContact CG2-CD2 3.73Å; V437-L467 HydrophobicContact CG2-CG 4.48Å; V437-L475 HydrophobicContact CB-CB 4.34Å; V437-L475 HydrophobicContact CB-CD2 3.81Å; V437-L475 HydrophobicContact CB-CG 3.95Å; V437-L475 HydrophobicContact CG1-CD2 3.98Å; V437-L475 HydrophobicContact CG2-CB 4.41Å; V437-L475 HydrophobicContact CG2-CD2 3.94Å; V437-L475 HydrophobicContact CG2-CG 3.71Å; V437-L475 PolarHBondContact N-O 3.17Å; V437-L475 VanDerWaalsContact N-O 3.12Å |
| 438 | C | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 156.7 | 179.2 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | N398 W429 Y430 | N398-C438 CarbonylContact O-C 3.52Å; N398-C438 WeakPolarHBondContact O-CA 3.4Å; W429-C438 CarbonylContact C-O 3.49Å; W429-C438 WeakPolarHBondContact CA-O 3.33Å; Y430-C438 HydrophobicContact CD1-CB 4.14Å; Y430-C438 HydrophobicContact CE1-CB 3.54Å; Y430-C438 HydrophobicContact CE2-CB 3.97Å; Y430-C438 VanDerWaalsContact CZ-CB 3.42Å; Y430-C438 PolarHBondContact N-O 2.96Å; Y430-C438 PolarHBondContact O-N 2.96Å |
| 439 | A | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 23.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N398 L400 R427 F428 | N398-A439 PolarHBondContact O-N 2.9Å; L400-A439 HydrophobicContact CD1-CB 4.39Å; L400-A439 HydrophobicContact CD2-CB 4.07Å; L400-A439 HydrophobicContact CG-CB 4.27Å; R427-A439 WeakPolarHBondContact CB-O 3.2Å; F428-A439 CarbonylContact O-C 3.59Å |
| 440 | D | 96.5 | Very high | 96.5 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 21.3 | 179.8 | 64.9 | -25.6 | 0 | 0 | 0 | 113.5 | N398 Y430 | N398-D440 HydrophobicContact CB-CB 3.91Å; N398-D440 WeakPolarHBondContact CB-OD1 3.49Å; N398-D440 WeakPolarHBondContact CB-OD2 3.43Å; N398-D440 VanDerWaalsContact ND2-CG 3.26Å; N398-D440 PolarHBondContact ND2-OD1 2.87Å; N398-D440 PolarHBondContact ND2-OD2 2.87Å; Y430-D440 WeakPolarHBondContact CE1-OD1 3.49Å; Y430-D440 PolarHBondContact OH-OD1 2.84Å |
| 441 | G | 97 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F428 | F428-G441 PolarHBondContact N-O 2.93Å; F428-G441 WeakPolarHBondContact O-CA 3.47Å; F428-G441 PolarHBondContact O-N 2.85Å |
| 442 | E | 96.3 | Very high | 96 | Very high | 156 Ų | 156 | 38.4 Ų | 38.4 | 73% | 0.729 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -79.4 | -24.3 | 174.7 | -63.4 | -61.6 | 146.9 | 0 | 0 | 112.6 | ||
| 443 | A | 96.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 38 Ų | 38 | 55% | 0.554 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -115.2 | 146.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F428 | F428-A443 WeakPolarHBondContact CB-O 3.29Š|
| 444 | P | 96.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | trans | -66.4 | 136.7 | 177 | 26 | -32.5 | 0 | 0 | 0 | 111.6 | H420 F428 | H420-P444 HydrophobicContact CB-CB 4.04Å; H420-P444 VanDerWaalsContact CG-CB 3.47Å; H420-P444 WeakPolarHBondContact ND1-CB 3.45Å; F428-P444 HydrophobicContact CD1-CB 3.93Å; F428-P444 HydrophobicContact CD2-CB 4.44Å; F428-P444 HydrophobicContact CE1-CB 3.76Å; F428-P444 HydrophobicContact CE2-CB 4.3Å; F428-P444 HydrophobicContact CG-CB 4.24Å; F428-P444 HydrophobicContact CZ-CB 3.93Å; F428-P444 HydrophobicContact CZ-CG 4.36Å | ||
| 445 | E | 96.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | trans | -108.4 | 134.4 | 167.5 | -179.8 | 155.3 | 145.3 | 0 | 0 | 110 | H420 W429 Y430 V431 F447 K462 | H420-E445 PolarHBondContact CD2-O 2.86Å; W429-E445 WeakPolarHBondContact O-CB 3.24Å; Y430-E445 VanDerWaalsContact CB-OE2 3.31Å; Y430-E445 WeakPolarHBondContact CB-OE2 3.26Å; V431-E445 PolarHBondContact N-OE1 3.15Å; E445-F447 HydrophobicContact CB-CE2 4.13Å; E445-F447 HydrophobicContact CG-CE2 4.29Å; E445-F447 HydrophobicContact CG-CZ 4.33Å; E445-F447 WeakPolarHBondContact O-CD2 3.39Å; E445-F447 WeakPolarHBondContact O-CE2 3.34Å; E445-F447 PolarHBondContact O-N 2.96Å; E445-K462 VanDerWaalsContact CD-CD 3.5Å; E445-K462 VanDerWaalsContact CD-NZ 3.34Å; E445-K462 HydrophobicContact CG-CD 3.82Å; E445-K462 HydrophobicContact CG-CG 4.18Å; E445-K462 VanDerWaalsContact OE1-CE 3.32Å; E445-K462 WeakPolarHBondContact OE1-CE 3.48Å; E445-K462 WeakPolarHBondContact OE1-CG 3.23Å; E445-K462 IonicContact OE1-NZ 2.68Å; E445-K462 WeakPolarHBondContact OE2-CE 3.39Å; E445-K462 IonicContact OE2-NZ 2.66Å; E445-K462 PolarHBondContact OE2-NZ 2.93Å | ||
| 446 | D | 96.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 40% | 0.401 | 19% | 0.191 | S | C | . | . | trans | -71.9 | 125.4 | 179.9 | -70.3 | -17.5 | 0 | 0 | 0 | 111.6 | A418 H420 K462 | A418-D446 HydrophobicContact CB-CB 3.73Å; H420-D446 IonicContact CD2-OD1 3.6Å; H420-D446 PolarHBondContact CD2-OD1 3.46Å; H420-D446 IonicContact CE1-OD1 3.63Å; H420-D446 IonicContact NE2-OD1 2.76Å; H420-D446 PolarHBondContact NE2-OD1 3.33Å; D446-K462 PolarHBondContact O-N 2.7Å | ||
| 447 | F | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 150 | 166.7 | -62.1 | -85.9 | 0 | 0 | 0 | 110.6 | Y419 I421 W429 V431 E445 I459 R460 L467 | Y419-F447 PolarHBondContact N-O 2.87Å; Y419-F447 PolarHBondContact O-N 2.86Å; I421-F447 HydrophobicContact CD1-CD2 4.47Å; I421-F447 HydrophobicContact CG1-CD2 4.47Å; W429-F447 HydrophobicContact CB-CE2 3.93Å; W429-F447 HydrophobicContact CB-CZ 4.1Å; V431-F447 HydrophobicContact CG2-CE1 4.19Å; E445-F447 HydrophobicContact CB-CE2 4.13Å; E445-F447 HydrophobicContact CG-CE2 4.29Å; E445-F447 HydrophobicContact CG-CZ 4.33Å; E445-F447 WeakPolarHBondContact O-CD2 3.39Å; E445-F447 WeakPolarHBondContact O-CE2 3.34Å; E445-F447 PolarHBondContact O-N 2.96Å; F447-I459 HydrophobicContact CB-CG2 3.94Å; F447-I459 HydrophobicContact CD1-CG2 3.8Å; F447-I459 HydrophobicContact CG-CG2 4.13Å; F447-R460 CarbonylContact C-O 3.52Å; F447-R460 VanDerWaalsContact CA-O 3.29Å; F447-R460 WeakPolarHBondContact CA-O 3.49Å; F447-L467 HydrophobicContact CD1-CD1 4.21Å; F447-L467 HydrophobicContact CE1-CD1 3.99Å; F447-L467 HydrophobicContact CE1-CD2 4.23Å; F447-L467 HydrophobicContact CE1-CG 4.5Å |
| 448 | T | 96.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.6 | 167.2 | 67.5 | 0 | 0 | 0 | 0 | 109.9 | S338 H339 I459 R460 | S338-T448 WeakPolarHBondContact O-CG2 3.19Å; H339-T448 WeakPolarHBondContact ND1-CG2 3.19Å; T448-I459 WeakPolarHBondContact O-CA 3.41Å; T448-R460 PolarHBondContact N-O 3.03Å; T448-R460 PolarHBondContact O-N 2.94Å; T448-R460 WeakPolarHBondContact OG1-CB 3.48Å |
| 449 | L | 96.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.7 | 176.8 | -59.8 | -177.1 | 0 | 0 | 0 | 109.2 | W336 L376 L412 Y419 L457 A458 I459 | W336-L449 WeakPolarHBondContact CZ3-O 3.41Å; L376-L449 HydrophobicContact CD2-CD1 4.43Å; L412-L449 HydrophobicContact CD1-CD1 4.23Å; L412-L449 HydrophobicContact CD2-CD1 3.79Å; Y419-L449 HydrophobicContact CD1-CD1 3.88Å; Y419-L449 HydrophobicContact CD1-CG 4.49Å; Y419-L449 HydrophobicContact CD2-CB 4.08Å; Y419-L449 HydrophobicContact CD2-CD1 3.82Å; Y419-L449 HydrophobicContact CD2-CG 3.56Å; Y419-L449 HydrophobicContact CE1-CD1 3.98Å; Y419-L449 HydrophobicContact CE2-CB 3.93Å; Y419-L449 HydrophobicContact CE2-CD1 3.94Å; Y419-L449 HydrophobicContact CE2-CG 3.86Å; Y419-L449 HydrophobicContact CG-CD1 3.78Å; Y419-L449 HydrophobicContact CG-CG 3.9Å; L449-L457 HydrophobicContact CD1-CD2 4.37Å; L449-L457 HydrophobicContact CD2-CD1 4.1Å; L449-L457 HydrophobicContact CD2-CD2 4.4Å; L449-A458 WeakPolarHBondContact CA-O 3.3Å; L449-I459 HydrophobicContact CD2-CB 4.26Å; L449-I459 HydrophobicContact CD2-CD1 4.25Å; L449-I459 HydrophobicContact CD2-CG1 3.69Å; L449-I459 HydrophobicContact CD2-CG2 4.06Å |
| 450 | E | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.3 | 179.8 | -60.2 | 177.4 | -169.2 | 0 | 0 | 109 | W336 L452 L457 A458 Y466 | W336-E450 HydrophobicContact CB-CG 4.15Å; W336-E450 HydrophobicContact CD2-CB 3.79Å; W336-E450 HydrophobicContact CD2-CG 3.72Å; W336-E450 HydrophobicContact CE3-CB 4.1Å; W336-E450 HydrophobicContact CE3-CG 3.82Å; W336-E450 HydrophobicContact CG-CB 4.13Å; W336-E450 HydrophobicContact CG-CG 3.85Å; W336-E450 HydrophobicContact CZ2-CB 4.38Å; E450-L452 HydrophobicContact CB-CD1 3.92Å; E450-L452 HydrophobicContact CB-CD2 4.16Å; E450-L452 HydrophobicContact CB-CG 3.82Å; E450-L452 PolarHBondContact O-N 3.06Å; E450-L452 VanDerWaalsContact O-N 3.15Å; E450-L457 CarbonylContact O-C 3.52Å; E450-L457 WeakPolarHBondContact O-CA 3.38Å; E450-L457 WeakPolarHBondContact O-CB 3.5Å; E450-A458 HydrophobicContact CB-CB 4.43Å; E450-A458 PolarHBondContact N-O 3.29Å; E450-A458 PolarHBondContact O-N 3.36Å; E450-Y466 PolarHBondContact OE1-OH 3.19Å; E450-Y466 WeakPolarHBondContact OE2-CE1 3.42Å; E450-Y466 PolarHBondContact OE2-OH 3.39Å |
| 451 | L | 95.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 89.2 | 175.9 | -60.6 | 175 | 0 | 0 | 0 | 109.5 | P257 V259 M292 I294 W336 L374 L457 F490 | P257-L451 HydrophobicContact CB-CD1 4.01Å; P257-L451 HydrophobicContact CB-CD2 4.27Å; P257-L451 HydrophobicContact CG-CD1 4.28Å; P257-L451 HydrophobicContact CG-CD2 4.48Å; V259-L451 HydrophobicContact CG1-CD1 3.98Å; M292-L451 HydrophobicContact CE-CB 4.12Å; M292-L451 HydrophobicContact SD-CB 4.16Å; M292-L451 HydrophobicContact SD-CD1 3.58Å; M292-L451 VanDerWaalsContact SD-CD1 3.58Å; I294-L451 HydrophobicContact CD1-CB 4.05Å; I294-L451 WeakPolarHBondContact CD1-O 3.07Å; W336-L451 HydrophobicContact CH2-CB 3.99Å; W336-L451 HydrophobicContact CH2-CG 4.24Å; W336-L451 HydrophobicContact CZ2-CB 3.87Å; W336-L451 WeakPolarHBondContact CZ2-O 3.36Å; L374-L451 HydrophobicContact CD2-CD1 4.16Å; L451-L457 HydrophobicContact CD2-CB 4.13Å; L451-F490 HydrophobicContact CD2-CE1 3.83Å; L451-F490 HydrophobicContact CD2-CE2 4.18Å; L451-F490 HydrophobicContact CD2-CZ 3.4Å; L451-F490 VanDerWaalsContact CD2-CZ 3.4Å |
| 452 | L | 91.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 18% | 0.183 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -30.9 | -167.1 | -65.5 | 164.7 | 0 | 0 | 0 | 113.9 | E450 R456 A458 L482 L487 | E450-L452 HydrophobicContact CB-CD1 3.92Å; E450-L452 HydrophobicContact CB-CD2 4.16Å; E450-L452 HydrophobicContact CB-CG 3.82Å; E450-L452 PolarHBondContact O-N 3.06Å; E450-L452 VanDerWaalsContact O-N 3.15Å; L452-R456 PolarHBondContact N-O 3.44Å; L452-A458 HydrophobicContact CD1-CB 3.56Å; L452-L482 HydrophobicContact CD1-CD1 3.57Å; L452-L482 HydrophobicContact CD1-CD2 3.35Å; L452-L482 HydrophobicContact CD1-CG 4.09Å; L452-L482 HydrophobicContact CD2-CD1 4.25Å; L452-L487 HydrophobicContact CB-CD2 4.43Å; L452-L487 HydrophobicContact CD1-CD2 4.13Å |
| 453 | E | 92.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 162 | 177.8 | -53.9 | -162.1 | 137.4 | 0 | 0 | 111.1 | K299 G455 R456 L487 | K299-E453 IonicContact NZ-OE1 2.86Å; K299-E453 PolarHBondContact NZ-OE1 3.38Å; E453-G455 PolarHBondContact O-N 3.03Å; E453-R456 HydrophobicContact CB-CB 4.26Å; E453-R456 PolarHBondContact N-O 3.27Å; E453-R456 PolarHBondContact O-N 2.77Å; E453-R456 IonicContact OE2-CZ 3.39Å; E453-R456 IonicContact OE2-NE 2.85Å; E453-R456 PolarHBondContact OE2-NE 3.16Å; E453-R456 VanDerWaalsContact OE2-NE 3.08Å; E453-R456 IonicContact OE2-NH2 2.71Å; E453-R456 PolarHBondContact OE2-NH2 2.81Å; E453-L487 HydrophobicContact CG-CD1 4.19Å |
| 454 | R | 91.6 | Very high | 95 | Very high | 84 Ų | 84 | 36.8 Ų | 36.8 | 32% | 0.317 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 116.6 | 174.4 | -175.8 | 175.4 | 163.4 | 171.5 | 1.3 | 110.6 | E254 I294 R296 R456 | E254-R454 IonicContact OE2-CZ 3.29Å; E254-R454 IonicContact OE2-NE 3.9Å; E254-R454 PolarHBondContact OE2-NE 3.24Å; E254-R454 IonicContact OE2-NH2 3.02Å; E254-R454 PolarHBondContact OE2-NH2 3.13Å; I294-R454 WeakPolarHBondContact O-CB 3.48Å; R296-R454 HydrophobicContact CG-CB 4.18Å; R454-R456 PolarHBondContact O-N 2.59Å |
| 455 | G | 90.8 | Very high | 95 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 10.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | E453 E489 F490 | E453-G455 PolarHBondContact O-N 3.03Å; G455-E489 WeakPolarHBondContact O-CA 3.4Å; G455-E489 WeakPolarHBondContact O-CG 3.5Å; G455-F490 PolarHBondContact O-N 2.87Å |
| 456 | R | 95.4 | Very high | 95 | Very high | 85 Ų | 85 | 37.8 Ų | 37.8 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.7 | 179 | -58.2 | -168 | -84.5 | -165.2 | -3.7 | 112.9 | L452 E453 R454 W488 E489 | L452-R456 PolarHBondContact N-O 3.44Å; E453-R456 HydrophobicContact CB-CB 4.26Å; E453-R456 PolarHBondContact N-O 3.27Å; E453-R456 PolarHBondContact O-N 2.77Å; E453-R456 IonicContact OE2-CZ 3.39Å; E453-R456 IonicContact OE2-NE 2.85Å; E453-R456 PolarHBondContact OE2-NE 3.16Å; E453-R456 VanDerWaalsContact OE2-NE 3.08Å; E453-R456 IonicContact OE2-NH2 2.71Å; E453-R456 PolarHBondContact OE2-NH2 2.81Å; R454-R456 PolarHBondContact O-N 2.59Å; R456-W488 CarbonylContact C-O 3.52Å; R456-W488 VanDerWaalsContact CA-O 3.22Å; R456-W488 WeakPolarHBondContact CA-O 3.36Å; R456-E489 HydrophobicContact CG-CB 4.09Å |
| 457 | L | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 157.9 | 177.1 | 64.6 | 75.9 | 0 | 0 | 0 | 111.5 | L384 L449 E450 L451 I459 L487 W488 F490 | L384-L457 HydrophobicContact CD2-CD1 4.23Å; L449-L457 HydrophobicContact CD1-CD2 4.37Å; L449-L457 HydrophobicContact CD2-CD1 4.1Å; L449-L457 HydrophobicContact CD2-CD2 4.4Å; E450-L457 CarbonylContact O-C 3.52Å; E450-L457 WeakPolarHBondContact O-CA 3.38Å; E450-L457 WeakPolarHBondContact O-CB 3.5Å; L451-L457 HydrophobicContact CD2-CB 4.13Å; L457-I459 HydrophobicContact CD1-CD1 3.97Å; L457-I459 HydrophobicContact CD1-CG1 3.34Å; L457-L487 WeakPolarHBondContact O-CA 3.43Å; L457-W488 HydrophobicContact CD1-CB 4.3Å; L457-W488 PolarHBondContact N-O 3.2Å; L457-W488 PolarHBondContact O-N 2.76Å; L457-F490 HydrophobicContact CB-CD1 3.89Å; L457-F490 HydrophobicContact CB-CE1 3.85Å; L457-F490 HydrophobicContact CD2-CB 4.05Å; L457-F490 HydrophobicContact CD2-CD1 3.53Å; L457-F490 HydrophobicContact CD2-CD2 4.13Å; L457-F490 HydrophobicContact CD2-CE1 3.99Å; L457-F490 HydrophobicContact CD2-CG 3.61Å; L457-F490 HydrophobicContact CD2-CZ 4.49Å; L457-F490 HydrophobicContact CG-CB 4.46Å; L457-F490 HydrophobicContact CG-CD1 3.55Å; L457-F490 HydrophobicContact CG-CE1 4.04Å; L457-F490 HydrophobicContact CG-CG 4.09Å |
| 458 | A | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 148.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | L449 E450 L452 Y466 L482 L487 | L449-A458 WeakPolarHBondContact CA-O 3.3Å; E450-A458 HydrophobicContact CB-CB 4.43Å; E450-A458 PolarHBondContact N-O 3.29Å; E450-A458 PolarHBondContact O-N 3.36Å; L452-A458 HydrophobicContact CD1-CB 3.56Å; A458-Y466 HydrophobicContact CB-CD1 3.75Å; A458-Y466 HydrophobicContact CB-CE1 3.8Å; A458-L482 HydrophobicContact CB-CD2 3.56Å; A458-L487 HydrophobicContact CB-CD2 4.25Å |
| 459 | I | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.5 | 175.8 | -50 | -178.9 | 0 | 0 | 0 | 107.4 | L384 I421 F447 T448 L449 L457 Y466 L467 | L384-I459 HydrophobicContact CD1-CD1 3.54Å; L384-I459 HydrophobicContact CD2-CD1 4.34Å; I421-I459 HydrophobicContact CD1-CD1 4.25Å; F447-I459 HydrophobicContact CB-CG2 3.94Å; F447-I459 HydrophobicContact CD1-CG2 3.8Å; F447-I459 HydrophobicContact CG-CG2 4.13Å; T448-I459 WeakPolarHBondContact O-CA 3.41Å; L449-I459 HydrophobicContact CD2-CB 4.26Å; L449-I459 HydrophobicContact CD2-CD1 4.25Å; L449-I459 HydrophobicContact CD2-CG1 3.69Å; L449-I459 HydrophobicContact CD2-CG2 4.06Å; L457-I459 HydrophobicContact CD1-CD1 3.97Å; L457-I459 HydrophobicContact CD1-CG1 3.34Å; I459-Y466 CarbonylContact O-C 3.57Å; I459-Y466 VanDerWaalsContact O-CA 3.31Å; I459-Y466 WeakPolarHBondContact O-CA 3.34Å; I459-L467 HydrophobicContact CB-CB 4.17Å; I459-L467 HydrophobicContact CB-CD1 3.89Å; I459-L467 HydrophobicContact CB-CG 3.9Å; I459-L467 HydrophobicContact CD1-CD1 4.37Å; I459-L467 HydrophobicContact CG2-CD1 3.56Å; I459-L467 HydrophobicContact CG2-CG 3.87Å; I459-L467 PolarHBondContact O-N 2.74Å |
| 460 | R | 96.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 38 Ų | 38 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.1 | 177.1 | -158.5 | 178.3 | -178.3 | 179.9 | -4.8 | 109.6 | F447 T448 G464 K465 Y466 | F447-R460 CarbonylContact C-O 3.52Å; F447-R460 VanDerWaalsContact CA-O 3.29Å; F447-R460 WeakPolarHBondContact CA-O 3.49Å; T448-R460 PolarHBondContact N-O 3.03Å; T448-R460 PolarHBondContact O-N 2.94Å; T448-R460 WeakPolarHBondContact OG1-CB 3.48Å; R460-G464 VanDerWaalsContact CZ-O 3.31Å; R460-G464 VanDerWaalsContact NE-C 3.28Å; R460-G464 PolarHBondContact NE-O 3.12Å; R460-G464 PolarHBondContact NH2-O 2.82Å; R460-K465 WeakPolarHBondContact CA-O 3.41Å; R460-K465 WeakPolarHBondContact CG-O 3.29Å; R460-Y466 HydrophobicContact CB-CD1 4.08Å; R460-Y466 HydrophobicContact CB-CE1 4.14Å; R460-Y466 HydrophobicContact CG-CD1 4.23Å; R460-Y466 HydrophobicContact CG-CE1 4.26Å |
| 461 | G | 95.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 168 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N463 G464 K465 | G461-N463 PolarHBondContact O-N 3.33Å; G461-G464 PolarHBondContact O-N 2.95Å; G461-K465 PolarHBondContact N-O 3.1Å |
| 462 | K | 92.4 | Very high | 94 | Very high | 146 Ų | 146 | 50.6 Ų | 50.6 | 64% | 0.635 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -24 | 174.4 | 74.3 | 179.9 | 176.1 | -158.9 | 0 | 114.2 | E445 D446 G464 | E445-K462 VanDerWaalsContact CD-CD 3.5Å; E445-K462 VanDerWaalsContact CD-NZ 3.34Å; E445-K462 HydrophobicContact CG-CD 3.82Å; E445-K462 HydrophobicContact CG-CG 4.18Å; E445-K462 VanDerWaalsContact OE1-CE 3.32Å; E445-K462 WeakPolarHBondContact OE1-CE 3.48Å; E445-K462 WeakPolarHBondContact OE1-CG 3.23Å; E445-K462 IonicContact OE1-NZ 2.68Å; E445-K462 WeakPolarHBondContact OE2-CE 3.39Å; E445-K462 IonicContact OE2-NZ 2.66Å; E445-K462 PolarHBondContact OE2-NZ 2.93Å; D446-K462 PolarHBondContact O-N 2.7Å; K462-G464 PolarHBondContact O-N 2.91Å |
| 463 | N | 92.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 49 Ų | 49 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 1.8 | 177.5 | 69.8 | -2.8 | 0 | 0 | 0 | 113.4 | G461 K465 G477 | G461-N463 PolarHBondContact O-N 3.33Å; N463-K465 VanDerWaalsContact C-N 3.27Å; N463-K465 PolarHBondContact O-N 2.67Å; N463-K465 WeakPolarHBondContact OD1-CB 3.32Å; N463-K465 PolarHBondContact OD1-N 3.37Å; N463-G477 PolarHBondContact ND2-O 3.38Å |
| 464 | G | 93.4 | Very high | 94 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 75.3 | 11.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R460 G461 K462 | R460-G464 VanDerWaalsContact CZ-O 3.31Å; R460-G464 VanDerWaalsContact NE-C 3.28Å; R460-G464 PolarHBondContact NE-O 3.12Å; R460-G464 PolarHBondContact NH2-O 2.82Å; G461-G464 PolarHBondContact O-N 2.95Å; K462-G464 PolarHBondContact O-N 2.91Å |
| 465 | K | 96.8 | Very high | 94.3 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | trans | -111.2 | 151.1 | -179.7 | -59.6 | -175.2 | -175.4 | 179.6 | 0 | 111.4 | R460 G461 N463 G477 G479 L480 | R460-K465 WeakPolarHBondContact CA-O 3.41Å; R460-K465 WeakPolarHBondContact CG-O 3.29Å; G461-K465 PolarHBondContact N-O 3.1Å; N463-K465 VanDerWaalsContact C-N 3.27Å; N463-K465 PolarHBondContact O-N 2.67Å; N463-K465 WeakPolarHBondContact OD1-CB 3.32Å; N463-K465 PolarHBondContact OD1-N 3.37Å; K465-G477 WeakPolarHBondContact CB-O 3.34Å; K465-G479 CarbonylContact C-O 3.54Å; K465-G479 WeakPolarHBondContact CA-O 3.3Å; K465-G479 WeakPolarHBondContact CB-O 3.07Å; K465-L480 HydrophobicContact CD-CD2 4.13Å; K465-L480 HydrophobicContact CG-CD2 4.38Å | ||
| 466 | Y | 97.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 47 Ų | 47 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 143.2 | 177.7 | -67.2 | -72.4 | 0 | 0 | 0 | 111.9 | E450 A458 I459 R460 G479 L482 | E450-Y466 PolarHBondContact OE1-OH 3.19Å; E450-Y466 WeakPolarHBondContact OE2-CE1 3.42Å; E450-Y466 PolarHBondContact OE2-OH 3.39Å; A458-Y466 HydrophobicContact CB-CD1 3.75Å; A458-Y466 HydrophobicContact CB-CE1 3.8Å; I459-Y466 CarbonylContact O-C 3.57Å; I459-Y466 VanDerWaalsContact O-CA 3.31Å; I459-Y466 WeakPolarHBondContact O-CA 3.34Å; R460-Y466 HydrophobicContact CB-CD1 4.08Å; R460-Y466 HydrophobicContact CB-CE1 4.14Å; R460-Y466 HydrophobicContact CG-CD1 4.23Å; R460-Y466 HydrophobicContact CG-CE1 4.26Å; Y466-G479 PolarHBondContact N-O 3.29Å; Y466-G479 WeakPolarHBondContact O-CA 3.07Å; Y466-G479 PolarHBondContact O-N 2.77Å; Y466-L482 HydrophobicContact CD1-CD2 3.97Å; Y466-L482 HydrophobicContact CD2-CD2 4.21Å; Y466-L482 HydrophobicContact CD2-CG 4.48Å; Y466-L482 HydrophobicContact CE1-CD2 3.57Å; Y466-L482 HydrophobicContact CE1-CG 4.36Å; Y466-L482 HydrophobicContact CE2-CD2 3.84Å; Y466-L482 HydrophobicContact CE2-CG 3.84Å; Y466-L482 HydrophobicContact CG-CD2 4.26Å; Y466-L482 VanDerWaalsContact CZ-CD2 3.49Å |
| 467 | L | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.9 | 168.4 | -53.3 | -166.5 | 0 | 0 | 0 | 109.2 | W429 V431 V437 F447 I459 L475 K476 G477 A486 W488 | W429-L467 HydrophobicContact CE3-CD1 4.43Å; W429-L467 HydrophobicContact CZ3-CD1 4.35Å; V431-L467 HydrophobicContact CG2-CD2 4.04Å; V437-L467 HydrophobicContact CG2-CD1 4.28Å; V437-L467 HydrophobicContact CG2-CD2 3.73Å; V437-L467 HydrophobicContact CG2-CG 4.48Å; F447-L467 HydrophobicContact CD1-CD1 4.21Å; F447-L467 HydrophobicContact CE1-CD1 3.99Å; F447-L467 HydrophobicContact CE1-CD2 4.23Å; F447-L467 HydrophobicContact CE1-CG 4.5Å; I459-L467 HydrophobicContact CB-CB 4.17Å; I459-L467 HydrophobicContact CB-CD1 3.89Å; I459-L467 HydrophobicContact CB-CG 3.9Å; I459-L467 HydrophobicContact CD1-CD1 4.37Å; I459-L467 HydrophobicContact CG2-CD1 3.56Å; I459-L467 HydrophobicContact CG2-CG 3.87Å; I459-L467 PolarHBondContact O-N 2.74Å; L467-L475 HydrophobicContact CB-CD1 4.29Å; L467-K476 CarbonylContact C-O 3.53Å; L467-K476 VanDerWaalsContact CA-O 3.26Å; L467-K476 WeakPolarHBondContact CA-O 3.34Å; L467-G477 VanDerWaalsContact CD2-CA 3.49Å; L467-A486 WeakPolarHBondContact O-CA 3.48Å; L467-W488 PolarHBondContact O-NE1 2.96Å |
| 468 | R | 97.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 25% | 0.245 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.2 | -180 | 67 | 175.6 | -175.4 | 89.6 | 6.6 | 112.2 | K476 D478 S485 A486 | R468-K476 PolarHBondContact N-O 2.98Å; R468-K476 PolarHBondContact O-N 3.14Å; R468-D478 IonicContact CZ-OD1 3.59Å; R468-D478 IonicContact CZ-OD2 2.96Å; R468-D478 IonicContact NE-OD1 3.11Å; R468-D478 PolarHBondContact NE-OD1 3.4Å; R468-D478 IonicContact NH2-OD1 2.83Å; R468-D478 PolarHBondContact NH2-OD1 2.92Å; R468-D478 IonicContact NH2-OD2 2.99Å; R468-D478 PolarHBondContact NH2-OD2 3.32Å; R468-S485 CarbonylContact C-O 3.44Å; R468-S485 WeakPolarHBondContact CA-O 3.26Å; R468-S485 VanDerWaalsContact CB-O 3.31Å; R468-S485 WeakPolarHBondContact CB-O 3.19Å; R468-A486 HydrophobicContact CB-CB 4.01Å |
| 469 | G | 95.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S485 | G469-S485 PolarHBondContact N-O 3.3Å |
| 470 | D | 92.9 | Very high | 94.5 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | trans | -82.4 | 177.7 | 172.5 | 84.9 | -6.1 | 0 | 0 | 0 | 112.5 | G472 G473 T474 K476 | D470-G472 PolarHBondContact O-N 2.69Å; D470-G472 VanDerWaalsContact OD1-CA 3.3Å; D470-G472 WeakPolarHBondContact OD1-CA 3.31Å; D470-G472 PolarHBondContact OD1-N 3.1Å; D470-G473 PolarHBondContact O-N 2.82Å; D470-G473 VanDerWaalsContact O-N 3.12Å; D470-G473 PolarHBondContact OD1-N 2.81Å; D470-T474 PolarHBondContact N-O 2.94Å; D470-T474 PolarHBondContact OD1-N 2.9Å; D470-K476 HydrophobicContact CB-CD 4.06Å; D470-K476 WeakPolarHBondContact OD2-CE 3.41Å; D470-K476 IonicContact OD2-NZ 3.69Å; D470-K476 PolarHBondContact OD2-NZ 2.85Å | ||
| 471 | Q | 86.7 | Confident | 94.4 | Very high | 205 Ų | 205 | 52.2 Ų | 52.2 | 96% | 0.958 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.1 | 179.7 | -66.9 | -178.7 | -2.8 | 0 | 0 | 113 | G473 | Q471-G473 VanDerWaalsContact C-N 3.28Š|
| 472 | G | 85.4 | Confident | 94.1 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D470 | D470-G472 PolarHBondContact O-N 2.69Å; D470-G472 VanDerWaalsContact OD1-CA 3.3Å; D470-G472 WeakPolarHBondContact OD1-CA 3.31Å; D470-G472 PolarHBondContact OD1-N 3.1Å |
| 473 | G | 89 | Confident | 94.1 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 84.2 | 16.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D401 A402 D470 Q471 | D401-G473 CarbonylContact C-O 3.59Å; D401-G473 WeakPolarHBondContact CA-O 3.07Å; A402-G473 PolarHBondContact N-O 3.43Å; D470-G473 PolarHBondContact O-N 2.82Å; D470-G473 VanDerWaalsContact O-N 3.12Å; D470-G473 PolarHBondContact OD1-N 2.81Å; Q471-G473 VanDerWaalsContact C-N 3.28Å |
| 474 | T | 94.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -94.1 | 142.8 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | L436 D470 | L436-T474 HydrophobicContact CD2-CG2 4.13Å; D470-T474 PolarHBondContact N-O 2.94Å; D470-T474 PolarHBondContact OD1-N 2.9Å |
| 475 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.7 | 174.3 | -170.6 | 66.6 | 0 | 0 | 0 | 111.3 | I391 L400 A402 W429 V437 L467 W488 | I391-L475 HydrophobicContact CD1-CD1 3.93Å; I391-L475 HydrophobicContact CD1-CD2 3.97Å; I391-L475 HydrophobicContact CG2-CD2 4.07Å; L400-L475 HydrophobicContact CB-CB 3.93Å; L400-L475 HydrophobicContact CB-CD2 3.97Å; L400-L475 HydrophobicContact CD1-CD2 3.76Å; L400-L475 WeakPolarHBondContact O-CB 3.5Å; L400-L475 PolarHBondContact O-N 2.91Å; A402-L475 HydrophobicContact CB-CB 4.43Å; A402-L475 HydrophobicContact CB-CD1 4.44Å; W429-L475 HydrophobicContact CE3-CD2 4.49Å; W429-L475 HydrophobicContact CH2-CD2 4.13Å; W429-L475 HydrophobicContact CZ3-CD2 3.8Å; V437-L475 HydrophobicContact CB-CB 4.34Å; V437-L475 HydrophobicContact CB-CD2 3.81Å; V437-L475 HydrophobicContact CB-CG 3.95Å; V437-L475 HydrophobicContact CG1-CD2 3.98Å; V437-L475 HydrophobicContact CG2-CB 4.41Å; V437-L475 HydrophobicContact CG2-CD2 3.94Å; V437-L475 HydrophobicContact CG2-CG 3.71Å; V437-L475 PolarHBondContact N-O 3.17Å; V437-L475 VanDerWaalsContact N-O 3.12Å; L467-L475 HydrophobicContact CB-CD1 4.29Å; L475-W488 HydrophobicContact CD1-CH2 3.47Å; L475-W488 VanDerWaalsContact CD1-CH2 3.47Å; L475-W488 HydrophobicContact CD1-CZ2 3.27Å |
| 476 | K | 97.6 | Very high | 94.1 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.3 | -179.1 | -66.1 | -170.6 | 169.3 | 158.9 | 0 | 111.8 | G435 L436 L467 R468 D470 D478 | G435-K476 CarbonylContact O-C 3.45Å; G435-K476 VanDerWaalsContact O-CA 3.28Å; G435-K476 WeakPolarHBondContact O-CA 3.42Å; G435-K476 WeakPolarHBondContact O-CB 3.46Å; L436-K476 HydrophobicContact CD2-CD 4.26Å; L436-K476 HydrophobicContact CD2-CG 3.94Å; L467-K476 CarbonylContact C-O 3.53Å; L467-K476 VanDerWaalsContact CA-O 3.26Å; L467-K476 WeakPolarHBondContact CA-O 3.34Å; R468-K476 PolarHBondContact N-O 2.98Å; R468-K476 PolarHBondContact O-N 3.14Å; D470-K476 HydrophobicContact CB-CD 4.06Å; D470-K476 WeakPolarHBondContact OD2-CE 3.41Å; D470-K476 IonicContact OD2-NZ 3.69Å; D470-K476 PolarHBondContact OD2-NZ 2.85Å; K476-D478 WeakPolarHBondContact CB-OD1 3.38Å |
| 477 | G | 97.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | G435 N463 K465 L467 | G435-G477 PolarHBondContact O-N 2.79Å; N463-G477 PolarHBondContact ND2-O 3.38Å; K465-G477 WeakPolarHBondContact CB-O 3.34Å; L467-G477 VanDerWaalsContact CD2-CA 3.49Å |
| 478 | D | 96.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 6.6 | -174.2 | 71.5 | -9.1 | 0 | 0 | 0 | 113.9 | R468 K476 L480 | R468-D478 IonicContact CZ-OD1 3.59Å; R468-D478 IonicContact CZ-OD2 2.96Å; R468-D478 IonicContact NE-OD1 3.11Å; R468-D478 PolarHBondContact NE-OD1 3.4Å; R468-D478 IonicContact NH2-OD1 2.83Å; R468-D478 PolarHBondContact NH2-OD1 2.92Å; R468-D478 IonicContact NH2-OD2 2.99Å; R468-D478 PolarHBondContact NH2-OD2 3.32Å; K476-D478 WeakPolarHBondContact CB-OD1 3.38Å; D478-L480 PolarHBondContact O-N 3.3Å |
| 479 | G | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | K465 Y466 | K465-G479 CarbonylContact C-O 3.54Å; K465-G479 WeakPolarHBondContact CA-O 3.3Å; K465-G479 WeakPolarHBondContact CB-O 3.07Å; Y466-G479 PolarHBondContact N-O 3.29Å; Y466-G479 WeakPolarHBondContact O-CA 3.07Å; Y466-G479 PolarHBondContact O-N 2.77Å |
| 480 | L | 94.3 | Very high | 94.1 | Very high | 150 Ų | 150 | 46 Ų | 46 | 79% | 0.785 | 27% | 0.27 | S | S | * | . | trans | -84.5 | -20.4 | -178.2 | -60.1 | 178.3 | 0 | 0 | 0 | 113.7 | K465 D478 | K465-L480 HydrophobicContact CD-CD2 4.13Å; K465-L480 HydrophobicContact CG-CD2 4.38Å; D478-L480 PolarHBondContact O-N 3.3Å | ||
| 481 | S | 92.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 53% | 0.531 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -146 | 160.6 | -178.6 | 66 | 0 | 0 | 0 | 0 | 110.9 | S483 | S481-S483 PolarHBondContact O-N 3.27Š|
| 482 | L | 90.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 41% | 0.414 | 24% | 0.241 | S | C | . | . | trans | -63.8 | 124.3 | 170 | -67.5 | 169.8 | 0 | 0 | 0 | 109.6 | L452 A458 Y466 | L452-L482 HydrophobicContact CD1-CD1 3.57Å; L452-L482 HydrophobicContact CD1-CD2 3.35Å; L452-L482 HydrophobicContact CD1-CG 4.09Å; L452-L482 HydrophobicContact CD2-CD1 4.25Å; A458-L482 HydrophobicContact CB-CD2 3.56Å; Y466-L482 HydrophobicContact CD1-CD2 3.97Å; Y466-L482 HydrophobicContact CD2-CD2 4.21Å; Y466-L482 HydrophobicContact CD2-CG 4.48Å; Y466-L482 HydrophobicContact CE1-CD2 3.57Å; Y466-L482 HydrophobicContact CE1-CG 4.36Å; Y466-L482 HydrophobicContact CE2-CD2 3.84Å; Y466-L482 HydrophobicContact CE2-CG 3.84Å; Y466-L482 HydrophobicContact CG-CD2 4.26Å; Y466-L482 VanDerWaalsContact CZ-CD2 3.49Å | ||
| 483 | S | 92.8 | Very high | 95 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 32% | 0.315 | 22% | 0.215 | S | C | . | . | trans | -143.4 | 166.7 | 174.7 | 66.5 | 0 | 0 | 0 | 0 | 108.2 | S481 S485 A486 L487 | S481-S483 PolarHBondContact O-N 3.27Å; S483-S485 PolarHBondContact O-N 2.9Å; S483-S485 PolarHBondContact OG-OG 2.86Å; S483-A486 PolarHBondContact O-N 3.24Å; S483-L487 PolarHBondContact O-N 2.65Å | ||
| 484 | S | 91.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -57.6 | -34.2 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | D387 A486 L487 | D387-S484 WeakPolarHBondContact OD2-CB 3.41Å; D387-S484 PolarHBondContact OD2-OG 2.99Å; S484-A486 PolarHBondContact O-N 2.73Å; S484-L487 PolarHBondContact O-N 2.83Å |
| 485 | S | 94.6 | Very high | 95.4 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -65.6 | -16.3 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 114.8 | R468 G469 S483 | R468-S485 CarbonylContact C-O 3.44Å; R468-S485 WeakPolarHBondContact CA-O 3.26Å; R468-S485 VanDerWaalsContact CB-O 3.31Å; R468-S485 WeakPolarHBondContact CB-O 3.19Å; G469-S485 PolarHBondContact N-O 3.3Å; S483-S485 PolarHBondContact O-N 2.9Å; S483-S485 PolarHBondContact OG-OG 2.86Å |
| 486 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -106 | 4.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L467 R468 S483 S484 | L467-A486 WeakPolarHBondContact O-CA 3.48Å; R468-A486 HydrophobicContact CB-CB 4.01Å; S483-A486 PolarHBondContact O-N 3.24Å; S484-A486 PolarHBondContact O-N 2.73Å |
| 487 | L | 96.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.7 | 177 | -68.8 | 174.4 | 0 | 0 | 0 | 110.2 | L452 E453 L457 A458 S483 S484 | L452-L487 HydrophobicContact CB-CD2 4.43Å; L452-L487 HydrophobicContact CD1-CD2 4.13Å; E453-L487 HydrophobicContact CG-CD1 4.19Å; L457-L487 WeakPolarHBondContact O-CA 3.43Å; A458-L487 HydrophobicContact CB-CD2 4.25Å; S483-L487 PolarHBondContact O-N 2.65Å; S484-L487 PolarHBondContact O-N 2.83Å |
| 488 | W | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.8 | -173.4 | -52.1 | 97.4 | 0 | 0 | 0 | 109.7 | L384 I391 A402 R456 L457 L467 L475 | L384-W488 HydrophobicContact CB-CB 4.26Å; L384-W488 HydrophobicContact CD2-CB 3.71Å; L384-W488 HydrophobicContact CD2-CG 4.46Å; L384-W488 HydrophobicContact CG-CB 4.48Å; I391-W488 HydrophobicContact CD1-CD2 3.9Å; I391-W488 HydrophobicContact CD1-CE3 3.59Å; I391-W488 HydrophobicContact CD1-CH2 3.82Å; I391-W488 HydrophobicContact CD1-CZ2 4.11Å; I391-W488 HydrophobicContact CD1-CZ3 3.55Å; I391-W488 HydrophobicContact CG1-CE3 3.86Å; I391-W488 HydrophobicContact CG1-CH2 4.11Å; I391-W488 HydrophobicContact CG1-CZ3 3.54Å; A402-W488 HydrophobicContact CB-CH2 3.71Å; A402-W488 HydrophobicContact CB-CZ3 4Å; R456-W488 CarbonylContact C-O 3.52Å; R456-W488 VanDerWaalsContact CA-O 3.22Å; R456-W488 WeakPolarHBondContact CA-O 3.36Å; L457-W488 HydrophobicContact CD1-CB 4.3Å; L457-W488 PolarHBondContact N-O 3.2Å; L457-W488 PolarHBondContact O-N 2.76Å; L467-W488 PolarHBondContact O-NE1 2.96Å; L475-W488 HydrophobicContact CD1-CH2 3.47Å; L475-W488 VanDerWaalsContact CD1-CH2 3.47Å; L475-W488 HydrophobicContact CD1-CZ2 3.27Å |
| 489 | E | 97.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.3 | 167.6 | -175.8 | -177.3 | -173.7 | 0 | 0 | 110.7 | H136 L384 R385 G455 R456 | H136-E489 HydrophobicContact CB-CG 4.23Å; L384-E489 WeakPolarHBondContact CA-O 3.47Å; R385-E489 HydrophobicContact CB-CB 4.25Å; R385-E489 IonicContact CZ-OE1 3.28Å; R385-E489 IonicContact CZ-OE2 3.48Å; R385-E489 PolarHBondContact N-O 3.32Å; R385-E489 IonicContact NE-OE2 3.96Å; R385-E489 PolarHBondContact NE-OE2 2.84Å; R385-E489 IonicContact NH2-OE1 2.99Å; R385-E489 PolarHBondContact NH2-OE1 2.99Å; R385-E489 IonicContact NH2-OE2 3.39Å; R385-E489 PolarHBondContact NH2-OE2 3.04Å; R385-E489 PolarHBondContact O-N 2.85Å; G455-E489 WeakPolarHBondContact O-CA 3.4Å; G455-E489 WeakPolarHBondContact O-CG 3.5Å; R456-E489 HydrophobicContact CG-CB 4.09Å |
| 490 | F | 95.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | trans | -147.9 | 0 | -168.8 | 69.4 | -86.4 | 0 | 0 | 0 | 114.2 | H136 Q138 P257 L376 R379 L382 I383 L384 L451 G455 L457 | H136-F490 PolarHBondContact CE1-OXT 3.48Å; H136-F490 VanDerWaalsContact ND1-C 3.3Å; H136-F490 PolarHBondContact ND1-OXT 2.91Å; H136-F490 VanDerWaalsContact ND1-OXT 3.17Å; Q138-F490 PolarHBondContact OE1-OXT 2.68Å; P257-F490 HydrophobicContact CB-CE2 3.94Å; P257-F490 HydrophobicContact CB-CZ 3.96Å; P257-F490 HydrophobicContact CG-CE2 4.42Å; P257-F490 HydrophobicContact CG-CZ 4.03Å; L376-F490 HydrophobicContact CD2-CE2 4.39Å; R379-F490 HydrophobicContact CG-CD2 4.08Å; R379-F490 PolarHBondContact NE-OXT 3.34Å; R379-F490 PolarHBondContact NH2-O 2.84Å; R379-F490 PolarHBondContact NH2-OXT 2.92Å; L382-F490 HydrophobicContact CD1-CB 4.26Å; I383-F490 WeakPolarHBondContact O-CA 3.47Å; L384-F490 HydrophobicContact CD2-CB 4.15Å; L451-F490 HydrophobicContact CD2-CE1 3.83Å; L451-F490 HydrophobicContact CD2-CE2 4.18Å; L451-F490 HydrophobicContact CD2-CZ 3.4Å; L451-F490 VanDerWaalsContact CD2-CZ 3.4Å; G455-F490 PolarHBondContact O-N 2.87Å; L457-F490 HydrophobicContact CB-CD1 3.89Å; L457-F490 HydrophobicContact CB-CE1 3.85Å; L457-F490 HydrophobicContact CD2-CB 4.05Å; L457-F490 HydrophobicContact CD2-CD1 3.53Å; L457-F490 HydrophobicContact CD2-CD2 4.13Å; L457-F490 HydrophobicContact CD2-CE1 3.99Å; L457-F490 HydrophobicContact CD2-CG 3.61Å; L457-F490 HydrophobicContact CD2-CZ 4.49Å; L457-F490 HydrophobicContact CG-CB 4.46Å; L457-F490 HydrophobicContact CG-CD1 3.55Å; L457-F490 HydrophobicContact CG-CE1 4.04Å; L457-F490 HydrophobicContact CG-CG 4.09Å |
Retrieved 490 of 490 residues in 185.4 ms
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