| 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 | 44.4 | Very low | 58.2 | Low | 226 Ų | 226 | 131.5 Ų | 131.5 | 100% | 1.113 | 61% | 0.614 | S | S | * | * | 0 | 120.9 | 0 | -155.1 | 177.5 | -73.9 | 0 | 0 | 105.7 | E3 | M1-E3 PolarHBondContact O-N 3.43Š| |||
| 2 | R | 49.7 | Very low | 58.6 | Low | 42 Ų | 42 | 126.8 Ų | 126.8 | 16% | 0.158 | 60% | 0.6 | C | S | . | * | P | Polyproline II helix | trans | -62.2 | 132.4 | -179.7 | -167.3 | -176.9 | -175.4 | 173.8 | 9.4 | 108.3 | Q4 I79 D108 N112 | R2-Q4 PolarHBondContact O-N 3.44Å; R2-I79 HydrophobicContact CB-CD1 4.04Å; R2-D108 PolarHBondContact NH2-O 2.96Å; R2-N112 PolarHBondContact NH1-ND2 3.03Å |
| 3 | E | 57 | Low | 59.4 | Low | 174 Ų | 174 | 122.8 Ų | 122.8 | 81% | 0.813 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 131 | 170.6 | -69.5 | -176.6 | 162.2 | 0 | 0 | 109 | M1 | M1-E3 PolarHBondContact O-N 3.43Š|
| 4 | Q | 65.7 | Low | 60.4 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 39% | 0.393 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 136.4 | 173.1 | -65.9 | 175.3 | -6.1 | 0 | 0 | 108.6 | R2 R6 T13 W15 | R2-Q4 PolarHBondContact O-N 3.44Å; Q4-R6 PolarHBondContact O-N 3.01Å; Q4-T13 HydrophobicContact CB-CG2 4.24Å; Q4-T13 PolarHBondContact OE1-OG1 2.77Å; Q4-W15 HydrophobicContact CG-CD2 4.09Å; Q4-W15 HydrophobicContact CG-CE3 3.9Å; Q4-W15 HydrophobicContact CG-CH2 3.84Å; Q4-W15 HydrophobicContact CG-CZ2 4.03Å; Q4-W15 HydrophobicContact CG-CZ3 3.76Å |
| 5 | F | 63.4 | Low | 61.4 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 26% | 0.263 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 123 | 173.7 | -68 | -80.6 | 0 | 0 | 0 | 109 | T13 C14 H17 | F5-T13 CarbonylContact O-C 3.55Å; F5-T13 WeakPolarHBondContact O-CA 3.45Å; F5-C14 PolarHBondContact N-O 3.31Å; F5-C14 PolarHBondContact O-N 2.7Å; F5-H17 HydrophobicContact CD2-CB 4.49Å; F5-H17 AromaticContact CE1-CD2 3.78Å; F5-H17 HydrophobicContact CE2-CB 3.92Å; F5-H17 HydrophobicContact CZ-CB 4.06Å; F5-H17 AromaticContact CZ-CD2 3.7Å |
| 6 | R | 53.9 | Low | 62.7 | Low | 189 Ų | 189 | 111.2 Ų | 111.2 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.8 | 178.5 | -132.7 | 173.2 | -164.8 | -172.1 | 2.8 | 109.1 | Q4 T13 | Q4-R6 PolarHBondContact O-N 3.01Å; R6-T13 HydrophobicContact CG-CG2 3.93Å |
| 7 | N | 57.8 | Low | 64 | Low | 69 Ų | 69 | 106.2 Ų | 106.2 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 108.4 | 167.9 | -174.9 | -23.6 | 0 | 0 | 0 | 108.4 | Q9 T10 Q11 T12 | N7-Q9 VanDerWaalsContact C-N 3.28Å; N7-Q9 PolarHBondContact O-N 3.47Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.44Å; N7-Q9 PolarHBondContact OD1-N 3.37Å; N7-T10 VanDerWaalsContact CB-OG1 3.27Å; N7-T10 WeakPolarHBondContact CB-OG1 3.36Å; N7-T10 PolarHBondContact ND2-OG1 3.1Å; N7-T10 PolarHBondContact OD1-N 3.25Å; N7-Q11 VanDerWaalsContact O-CA 3.31Å; N7-Q11 WeakPolarHBondContact O-CA 3.41Å; N7-Q11 PolarHBondContact O-N 2.8Å; N7-T12 PolarHBondContact N-O 3.04Å |
| 8 | H | 62.9 | Low | 65.4 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 73% | 0.731 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23.3 | -178 | -70.4 | -76.7 | 0 | 0 | 0 | 113.7 | ||
| 9 | Q | 58.2 | Low | 66.8 | Low | 186 Ų | 186 | 104.8 Ų | 104.8 | 87% | 0.869 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -37.1 | 179 | -69.2 | 178.6 | -15.1 | 0 | 0 | 112.2 | N7 | N7-Q9 VanDerWaalsContact C-N 3.28Å; N7-Q9 PolarHBondContact O-N 3.47Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.44Å; N7-Q9 PolarHBondContact OD1-N 3.37Å |
| 10 | T | 65.3 | Low | 68.2 | Low | 79 Ų | 79 | 99.6 Ų | 99.6 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -4.5 | -179.6 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | N7 T12 | N7-T10 VanDerWaalsContact CB-OG1 3.27Å; N7-T10 WeakPolarHBondContact CB-OG1 3.36Å; N7-T10 PolarHBondContact ND2-OG1 3.1Å; N7-T10 PolarHBondContact OD1-N 3.25Å; T10-T12 PolarHBondContact O-N 3.31Å; T10-T12 VanDerWaalsContact O-N 3.11Å; T10-T12 PolarHBondContact OG1-OG1 3.33Å |
| 11 | Q | 61.4 | Low | 69.3 | Low | 180 Ų | 180 | 97.1 Ų | 97.1 | 84% | 0.841 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 23.3 | -174.2 | -60.2 | -173.2 | -10.7 | 0 | 0 | 114.5 | N7 | N7-Q11 VanDerWaalsContact O-CA 3.31Å; N7-Q11 WeakPolarHBondContact O-CA 3.41Å; N7-Q11 PolarHBondContact O-N 2.8Å |
| 12 | T | 63.5 | Low | 71.7 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 45% | 0.454 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 143.3 | 179.9 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | N7 T10 | N7-T12 PolarHBondContact N-O 3.04Å; T10-T12 PolarHBondContact O-N 3.31Å; T10-T12 VanDerWaalsContact O-N 3.11Å; T10-T12 PolarHBondContact OG1-OG1 3.33Å |
| 13 | T | 68.4 | Low | 73.9 | Confident | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.8 | 166.1 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | Q4 F5 R6 | Q4-T13 HydrophobicContact CB-CG2 4.24Å; Q4-T13 PolarHBondContact OE1-OG1 2.77Å; F5-T13 CarbonylContact O-C 3.55Å; F5-T13 WeakPolarHBondContact O-CA 3.45Å; R6-T13 HydrophobicContact CG-CG2 3.93Å |
| 14 | C | 73.8 | Confident | 75.7 | Confident | 48 Ų | 48 | 85 Ų | 85 | 32% | 0.324 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.4 | 179 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | F5 D16 | F5-C14 PolarHBondContact N-O 3.31Å; F5-C14 PolarHBondContact O-N 2.7Å; C14-D16 PolarHBondContact SG-N 3.39Å |
| 15 | W | 75.8 | Confident | 77 | Confident | 96 Ų | 96 | 87.1 Ų | 87.1 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -71.8 | -24.9 | 169.8 | -63.9 | 107.6 | 0 | 0 | 0 | 112 | Q4 N112 | Q4-W15 HydrophobicContact CG-CD2 4.09Å; Q4-W15 HydrophobicContact CG-CE3 3.9Å; Q4-W15 HydrophobicContact CG-CH2 3.84Å; Q4-W15 HydrophobicContact CG-CZ2 4.03Å; Q4-W15 HydrophobicContact CG-CZ3 3.76Å; W15-N112 PolarHBondContact O-ND2 2.94Å |
| 16 | D | 81.3 | Confident | 78.6 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 20% | 0.203 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -85 | 131.7 | -178.3 | -65.8 | -38.1 | 0 | 0 | 0 | 112.9 | C14 N112 N116 | C14-D16 PolarHBondContact SG-N 3.39Å; D16-N112 VanDerWaalsContact CA-ND2 3.32Å; D16-N112 WeakPolarHBondContact CA-ND2 3.21Å; D16-N112 PolarHBondContact OD1-ND2 3.37Å; D16-N112 PolarHBondContact OD1-OD1 2.83Å; D16-N116 PolarHBondContact OD1-ND2 3.39Å |
| 17 | H | 86.1 | Confident | 80.6 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 13% | 0.125 | 39% | 0.389 | C | S | . | . | trans | -60.7 | 137.4 | 169.9 | -178.6 | -84.4 | 0 | 0 | 0 | 108.2 | F5 K19 M20 T21 L105 M109 | F5-H17 HydrophobicContact CD2-CB 4.49Å; F5-H17 AromaticContact CE1-CD2 3.78Å; F5-H17 HydrophobicContact CE2-CB 3.92Å; F5-H17 HydrophobicContact CZ-CB 4.06Å; F5-H17 AromaticContact CZ-CD2 3.7Å; H17-K19 VanDerWaalsContact C-N 3.26Å; H17-K19 PolarHBondContact ND1-N 3.4Å; H17-K19 VanDerWaalsContact ND1-N 3.19Å; H17-K19 PolarHBondContact O-N 3.44Å; H17-K19 VanDerWaalsContact O-N 3.12Å; H17-M20 HydrophobicContact CB-CB 4.38Å; H17-M20 HydrophobicContact CB-CG 4.14Å; H17-M20 WeakPolarHBondContact O-CA 3.21Å; H17-M20 VanDerWaalsContact O-CB 3.31Å; H17-M20 WeakPolarHBondContact O-CB 3.49Å; H17-M20 PolarHBondContact O-N 3.15Å; H17-T21 PolarHBondContact O-N 2.95Å; H17-T21 VanDerWaalsContact O-N 3.1Å; H17-L105 VanDerWaalsContact CE1-CD1 3.48Å; H17-L105 WeakPolarHBondContact CE1-CD1 3.4Å; H17-M109 HydrophobicContact CB-SD 4.46Å; H17-M109 PolarHBondContact ND1-SD 3.31Å | ||
| 18 | P | 89.4 | Confident | 82.2 | Confident | 81 Ų | 81 | 76 Ų | 76 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -52.6 | -41 | -174.4 | -29.6 | 35.3 | 0 | 0 | 0 | 114.2 | M20 T21 E22 | P18-M20 VanDerWaalsContact C-N 3.33Å; P18-M20 PolarHBondContact O-N 2.96Å; P18-T21 WeakPolarHBondContact O-CB 3.19Å; P18-T21 PolarHBondContact O-N 2.76Å; P18-E22 PolarHBondContact O-N 2.92Å |
| 19 | K | 92.1 | Very high | 83.6 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -27 | 175.1 | -69.1 | -175 | 171.8 | -172.2 | 0 | 113.9 | H17 L23 L105 M109 | H17-K19 VanDerWaalsContact C-N 3.26Å; H17-K19 PolarHBondContact ND1-N 3.4Å; H17-K19 VanDerWaalsContact ND1-N 3.19Å; H17-K19 PolarHBondContact O-N 3.44Å; H17-K19 VanDerWaalsContact O-N 3.12Å; K19-L23 VanDerWaalsContact O-CB 3.22Å; K19-L23 WeakPolarHBondContact O-CB 3.2Å; K19-L23 PolarHBondContact O-N 2.87Å; K19-L105 HydrophobicContact CD-CD1 3.79Å; K19-L105 HydrophobicContact CD-CD2 3.73Å; K19-L105 HydrophobicContact CD-CG 4.38Å; K19-M109 HydrophobicContact CB-CE 3.84Å; K19-M109 HydrophobicContact CB-SD 3.51Å; K19-M109 VanDerWaalsContact CB-SD 3.51Å |
| 20 | M | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 171.1 | -74.2 | -60 | -65.4 | 0 | 0 | 110.4 | H17 P18 L23 Y24 L47 L51 M109 N112 W113 | H17-M20 HydrophobicContact CB-CB 4.38Å; H17-M20 HydrophobicContact CB-CG 4.14Å; H17-M20 WeakPolarHBondContact O-CA 3.21Å; H17-M20 VanDerWaalsContact O-CB 3.31Å; H17-M20 WeakPolarHBondContact O-CB 3.49Å; H17-M20 PolarHBondContact O-N 3.15Å; P18-M20 VanDerWaalsContact C-N 3.33Å; P18-M20 PolarHBondContact O-N 2.96Å; M20-L23 WeakPolarHBondContact O-CB 3.4Å; M20-L23 PolarHBondContact O-N 3.07Å; M20-L23 HydrophobicContact SD-CD2 4.24Å; M20-Y24 HydrophobicContact CB-CE2 4.4Å; M20-Y24 HydrophobicContact CE-CD2 4.45Å; M20-Y24 HydrophobicContact CE-CE2 3.52Å; M20-Y24 WeakPolarHBondContact CE-OH 3.36Å; M20-Y24 WeakPolarHBondContact O-CD2 3.3Å; M20-Y24 PolarHBondContact O-N 3.49Å; M20-L47 HydrophobicContact CE-CD1 4.21Å; M20-L51 HydrophobicContact SD-CD2 4.28Å; M20-M109 HydrophobicContact CB-SD 4.28Å; M20-M109 HydrophobicContact CG-CB 4.46Å; M20-M109 HydrophobicContact CG-CE 3.85Å; M20-M109 HydrophobicContact CG-SD 3.44Å; M20-M109 WeakPolarHBondContact CG-SD 3.25Å; M20-M109 PolarHBondContact N-SD 2.92Å; M20-M109 HydrophobicContact SD-CB 3.97Å; M20-M109 HydrophobicContact SD-CE 3.31Å; M20-M109 WeakPolarHBondContact SD-CE 3.32Å; M20-M109 HydrophobicContact SD-CG 4.43Å; M20-M109 HydrophobicContact SD-SD 3.66Å; M20-M109 VanDerWaalsContact SD-SD 3.66Å; M20-N112 HydrophobicContact CG-CB 3.96Å; M20-N112 WeakPolarHBondContact CG-OD1 3.45Å; M20-W113 HydrophobicContact CE-CB 3.83Å |
| 21 | T | 92.6 | Very high | 86.6 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 175.4 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | H17 P18 L23 Y24 Q25 | H17-T21 PolarHBondContact O-N 2.95Å; H17-T21 VanDerWaalsContact O-N 3.1Å; P18-T21 WeakPolarHBondContact O-CB 3.19Å; P18-T21 PolarHBondContact O-N 2.76Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-L23 PolarHBondContact O-N 3.25Å; T21-Y24 PolarHBondContact O-N 3.36Å; T21-Q25 WeakPolarHBondContact O-CB 3.43Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.27Å; T21-Q25 PolarHBondContact O-N 3.32Å |
| 22 | E | 94.1 | Very high | 87.8 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 174.9 | -174.4 | -172.6 | 170.4 | 0 | 0 | 111.5 | P18 Q25 S26 | P18-E22 PolarHBondContact O-N 2.92Å; E22-Q25 PolarHBondContact O-N 2.91Å; E22-S26 PolarHBondContact O-N 3.03Å |
| 23 | L | 95.9 | Very high | 89.1 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -51.4 | 176.4 | 177 | 62.1 | 0 | 0 | 0 | 111.2 | K19 M20 T21 Q25 S26 L27 R46 L47 A50 M109 | K19-L23 VanDerWaalsContact O-CB 3.22Å; K19-L23 WeakPolarHBondContact O-CB 3.2Å; K19-L23 PolarHBondContact O-N 2.87Å; M20-L23 WeakPolarHBondContact O-CB 3.4Å; M20-L23 PolarHBondContact O-N 3.07Å; M20-L23 HydrophobicContact SD-CD2 4.24Å; T21-L23 VanDerWaalsContact C-N 3.33Å; T21-L23 PolarHBondContact O-N 3.25Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.76Å; L23-S26 WeakPolarHBondContact O-CB 3.39Å; L23-S26 PolarHBondContact O-N 3.35Å; L23-S26 VanDerWaalsContact O-N 3.14Å; L23-S26 PolarHBondContact O-OG 2.7Å; L23-L27 HydrophobicContact CD1-CD2 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 3Å; L23-L27 VanDerWaalsContact O-N 3.13Å; L23-R46 HydrophobicContact CD1-CG 4.21Å; L23-L47 HydrophobicContact CD2-CD1 3.58Å; L23-A50 HydrophobicContact CD1-CB 3.89Å; L23-A50 HydrophobicContact CD2-CB 3.64Å; L23-A50 HydrophobicContact CG-CB 4.41Å; L23-M109 HydrophobicContact CD2-CE 4.31Å |
| 24 | Y | 94.3 | Very high | 90 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.5 | -76.1 | -59.8 | 0 | 0 | 0 | 112.7 | M20 T21 S26 L27 Q179 L180 | M20-Y24 HydrophobicContact CB-CE2 4.4Å; M20-Y24 HydrophobicContact CE-CD2 4.45Å; M20-Y24 HydrophobicContact CE-CE2 3.52Å; M20-Y24 WeakPolarHBondContact CE-OH 3.36Å; M20-Y24 WeakPolarHBondContact O-CD2 3.3Å; M20-Y24 PolarHBondContact O-N 3.49Å; T21-Y24 PolarHBondContact O-N 3.36Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 3.42Å; Y24-L27 HydrophobicContact CD1-CD1 3.85Å; Y24-L27 HydrophobicContact CE1-CD1 4.32Å; Y24-L27 WeakPolarHBondContact O-CB 3.39Å; Y24-L27 PolarHBondContact O-N 3.07Å; Y24-L27 VanDerWaalsContact O-N 3.12Å; Y24-Q179 VanDerWaalsContact OH-CD 3.29Å; Y24-Q179 PolarHBondContact OH-NE2 3.12Å; Y24-Q179 PolarHBondContact OH-OE1 3.39Å; Y24-L180 HydrophobicContact CE1-CD2 4.06Å |
| 25 | Q | 94 | Very high | 90.7 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 61% | 0.607 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 173.3 | -73.4 | 171.3 | -8.4 | 0 | 0 | 110.9 | T21 E22 L23 L27 A28 | T21-Q25 WeakPolarHBondContact O-CB 3.43Å; T21-Q25 VanDerWaalsContact O-CG 3.29Å; T21-Q25 WeakPolarHBondContact O-CG 3.27Å; T21-Q25 PolarHBondContact O-N 3.32Å; E22-Q25 PolarHBondContact O-N 2.91Å; L23-Q25 VanDerWaalsContact C-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.76Å; Q25-L27 PolarHBondContact O-N 3.37Å; Q25-A28 WeakPolarHBondContact O-CB 3.32Å; Q25-A28 PolarHBondContact O-N 3.17Å |
| 26 | S | 95.9 | Very high | 91.4 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -18.8 | 176.4 | 85.3 | 0 | 0 | 0 | 0 | 113.8 | E22 L23 Y24 A28 R46 | E22-S26 PolarHBondContact O-N 3.03Å; L23-S26 WeakPolarHBondContact O-CB 3.39Å; L23-S26 PolarHBondContact O-N 3.35Å; L23-S26 VanDerWaalsContact O-N 3.14Å; L23-S26 PolarHBondContact O-OG 2.7Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 3.42Å; S26-A28 PolarHBondContact O-N 3.42Å; S26-R46 PolarHBondContact O-NH1 3.3Å; S26-R46 PolarHBondContact OG-NE 3.07Å |
| 27 | L | 95.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -71.6 | -18.9 | 174.1 | -58.8 | -170.4 | 0 | 0 | 0 | 112.2 | L23 Y24 Q25 D29 L30 K43 R46 L180 | L23-L27 HydrophobicContact CD1-CD2 4.48Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 3Å; L23-L27 VanDerWaalsContact O-N 3.13Å; Y24-L27 HydrophobicContact CD1-CD1 3.85Å; Y24-L27 HydrophobicContact CE1-CD1 4.32Å; Y24-L27 WeakPolarHBondContact O-CB 3.39Å; Y24-L27 PolarHBondContact O-N 3.07Å; Y24-L27 VanDerWaalsContact O-N 3.12Å; Q25-L27 PolarHBondContact O-N 3.37Å; L27-D29 PolarHBondContact O-N 3.19Å; L27-L30 PolarHBondContact O-N 2.9Å; L27-K43 HydrophobicContact CB-CD 4.38Å; L27-K43 HydrophobicContact CB-CG 4.11Å; L27-K43 HydrophobicContact CD1-CB 4.22Å; L27-K43 HydrophobicContact CD1-CG 4.46Å; L27-K43 HydrophobicContact CD2-CB 4.37Å; L27-K43 HydrophobicContact CD2-CG 4.47Å; L27-K43 WeakPolarHBondContact O-CE 3.36Å; L27-R46 HydrophobicContact CD2-CB 3.95Å; L27-R46 HydrophobicContact CD2-CG 4.23Å; L27-L180 HydrophobicContact CD1-CD2 3.73Å |
| 28 | A | 92.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 54 Ų | 54 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -64.6 | -28.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q25 S26 L30 N31 | Q25-A28 WeakPolarHBondContact O-CB 3.32Å; Q25-A28 PolarHBondContact O-N 3.17Å; S26-A28 PolarHBondContact O-N 3.42Å; A28-L30 PolarHBondContact O-N 3.43Å; A28-L30 VanDerWaalsContact O-N 3.08Å; A28-N31 VanDerWaalsContact O-CB 3.24Å; A28-N31 WeakPolarHBondContact O-CB 3.39Å; A28-N31 VanDerWaalsContact O-CG 3.3Å; A28-N31 PolarHBondContact O-N 3.46Å; A28-N31 PolarHBondContact O-ND2 3.47Å |
| 29 | D | 92.3 | Very high | 92.5 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 57% | 0.567 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -57.5 | -25.2 | 175.9 | -60.5 | -22.9 | 0 | 0 | 0 | 112.7 | L27 N32 R46 | L27-D29 PolarHBondContact O-N 3.19Å; D29-N32 PolarHBondContact O-OD1 2.64Å; D29-R46 IonicContact OD2-NH1 2.66Å |
| 30 | L | 93.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -88.2 | -3.3 | -178.7 | -61.1 | 172.7 | 0 | 0 | 0 | 113.1 | L27 A28 N32 V33 R39 M42 K43 | L27-L30 PolarHBondContact O-N 2.9Å; A28-L30 PolarHBondContact O-N 3.43Å; A28-L30 VanDerWaalsContact O-N 3.08Å; L30-N32 PolarHBondContact O-N 2.84Å; L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 WeakPolarHBondContact O-CG2 3.3Å; L30-V33 PolarHBondContact O-N 3.3Å; L30-V33 VanDerWaalsContact O-N 3.07Å; L30-R39 WeakPolarHBondContact O-CD 3.32Å; L30-R39 WeakPolarHBondContact O-CG 3.25Å; L30-M42 HydrophobicContact CD1-CB 3.92Å; L30-M42 HydrophobicContact CD2-CB 4.29Å; L30-M42 HydrophobicContact CD2-CE 3.78Å; L30-M42 HydrophobicContact CD2-SD 4.48Å; L30-K43 HydrophobicContact CB-CG 4.16Å; L30-K43 HydrophobicContact CD1-CB 4.36Å; L30-K43 HydrophobicContact CD1-CG 3.76Å |
| 31 | N | 91.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -64.9 | -19.7 | -178.9 | -71.2 | -21 | 0 | 0 | 0 | 113.3 | A28 V33 K43 | A28-N31 VanDerWaalsContact O-CB 3.24Å; A28-N31 WeakPolarHBondContact O-CB 3.39Å; A28-N31 VanDerWaalsContact O-CG 3.3Å; A28-N31 PolarHBondContact O-N 3.46Å; A28-N31 PolarHBondContact O-ND2 3.47Å; N31-V33 VanDerWaalsContact C-N 3.25Å; N31-V33 PolarHBondContact O-N 3.44Å; N31-K43 WeakPolarHBondContact OD1-CE 3.49Å; N31-K43 PolarHBondContact OD1-NZ 2.92Å |
| 32 | N | 87.6 | Confident | 93.1 | Very high | 122 Ų | 122 | 46.4 Ų | 46.4 | 65% | 0.652 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -72.5 | -13.4 | 174.5 | 65.4 | -5.6 | 0 | 0 | 0 | 113.9 | D29 L30 R34 | D29-N32 PolarHBondContact O-OD1 2.64Å; L30-N32 PolarHBondContact O-N 2.84Å; N32-R34 PolarHBondContact O-N 2.65Å; N32-R34 VanDerWaalsContact O-N 3.16Å |
| 33 | V | 90.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | trans | -69.5 | 112.1 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | L30 N31 F35 R39 M42 F274 | L30-V33 WeakPolarHBondContact O-CB 3.47Å; L30-V33 WeakPolarHBondContact O-CG2 3.3Å; L30-V33 PolarHBondContact O-N 3.3Å; L30-V33 VanDerWaalsContact O-N 3.07Å; N31-V33 VanDerWaalsContact C-N 3.25Å; N31-V33 PolarHBondContact O-N 3.44Å; V33-F35 VanDerWaalsContact C-N 3.34Å; V33-F35 PolarHBondContact O-N 3.24Å; V33-R39 HydrophobicContact CB-CB 3.85Å; V33-R39 HydrophobicContact CB-CG 4.22Å; V33-R39 HydrophobicContact CG1-CB 3.87Å; V33-R39 PolarHBondContact O-NH1 3.26Å; V33-M42 HydrophobicContact CG2-SD 3.94Å; V33-F274 HydrophobicContact CG1-CB 4.12Å; V33-F274 HydrophobicContact CG1-CD2 4.13Å; V33-F274 HydrophobicContact CG1-CG 4.06Å; V33-F274 HydrophobicContact CG2-CD2 4.39Å | ||
| 34 | R | 87.4 | Confident | 93.5 | Very high | 140 Ų | 140 | 40.3 Ų | 40.3 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -64.1 | -35.8 | -172.6 | -174.6 | 177.1 | 178.8 | 169.1 | 2.3 | 113.5 | N32 F274 | N32-R34 PolarHBondContact O-N 2.65Å; N32-R34 VanDerWaalsContact O-N 3.16Å; R34-F274 VanDerWaalsContact CB-O 3.23Å; R34-F274 WeakPolarHBondContact CB-O 3.29Å; R34-F274 PolarHBondContact N-O 2.86Å |
| 35 | F | 87.8 | Confident | 93.7 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -89.3 | 115.2 | -176.3 | -58.8 | -71.9 | 0 | 0 | 0 | 110.5 | V33 A37 Y38 R39 F273 F274 Y326 L327 P328 | V33-F35 VanDerWaalsContact C-N 3.34Å; V33-F35 PolarHBondContact O-N 3.24Å; F35-A37 PolarHBondContact O-N 3.33Å; F35-Y38 HydrophobicContact CB-CD2 3.62Å; F35-Y38 HydrophobicContact CB-CE2 4.4Å; F35-Y38 HydrophobicContact CG-CD2 4.31Å; F35-Y38 PolarHBondContact O-N 3.01Å; F35-R39 WeakPolarHBondContact O-CB 3.48Å; F35-R39 PolarHBondContact O-N 3.26Å; F35-F273 HydrophobicContact CD2-CD1 4.07Å; F35-F273 AromaticContact CD2-CE1 3.78Å; F35-F273 HydrophobicContact CD2-CE1 3.78Å; F35-F273 HydrophobicContact CD2-CZ 4.49Å; F35-F273 AromaticContact CE2-CD1 3.6Å; F35-F273 HydrophobicContact CE2-CD1 3.6Å; F35-F273 AromaticContact CE2-CE1 3.32Å; F35-F273 HydrophobicContact CE2-CE1 3.32Å; F35-F273 HydrophobicContact CE2-CE2 4.29Å; F35-F273 HydrophobicContact CE2-CG 4.18Å; F35-F273 AromaticContact CE2-CZ 3.7Å; F35-F273 HydrophobicContact CE2-CZ 3.7Å; F35-F273 VanDerWaalsContact CE2-O 3.31Å; F35-F273 WeakPolarHBondContact CE2-O 3.45Å; F35-F273 HydrophobicContact CZ-CD1 4.44Å; F35-F273 AromaticContact CZ-CE1 3.84Å; F35-F273 HydrophobicContact CZ-CE1 3.84Å; F35-F273 HydrophobicContact CZ-CE2 4.25Å; F35-F273 AromaticContact CZ-CZ 3.73Å; F35-F273 HydrophobicContact CZ-CZ 3.73Å; F35-F274 HydrophobicContact CD2-CD1 4.16Å; F35-Y326 HydrophobicContact CD1-CD2 4.45Å; F35-Y326 WeakPolarHBondContact CD1-O 3.49Å; F35-L327 HydrophobicContact CE1-CD2 3.83Å; F35-P328 HydrophobicContact CD1-CG 4.49Å |
| 36 | S | 91.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -39 | -171.7 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | R39 T40 S185 | S36-R39 PolarHBondContact O-N 3.48Å; S36-T40 WeakPolarHBondContact O-CB 3.27Å; S36-T40 PolarHBondContact O-N 2.87Å; S36-T40 PolarHBondContact O-OG1 2.89Å; S36-S185 VanDerWaalsContact CB-CB 3.42Å; S36-S185 WeakPolarHBondContact CB-OG 3.37Å; S36-S185 WeakPolarHBondContact OG-CB 3.35Å; S36-S185 PolarHBondContact OG-OG 2.91Å |
| 37 | A | 91.3 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | F35 A41 V225 V229 | F35-A37 PolarHBondContact O-N 3.33Å; A37-A41 WeakPolarHBondContact O-CB 3.43Å; A37-A41 PolarHBondContact O-N 3.03Å; A37-V225 HydrophobicContact CB-CG1 4.33Å; A37-V229 HydrophobicContact CB-CG2 4.07Å |
| 38 | Y | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 174.9 | -67.3 | -82.9 | 0 | 0 | 0 | 112.2 | F35 T40 A41 M42 V229 V233 F256 Y258 F274 E290 Y326 | F35-Y38 HydrophobicContact CB-CD2 3.62Å; F35-Y38 HydrophobicContact CB-CE2 4.4Å; F35-Y38 HydrophobicContact CG-CD2 4.31Å; F35-Y38 PolarHBondContact O-N 3.01Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; Y38-T40 PolarHBondContact O-N 3.13Å; Y38-A41 PolarHBondContact O-N 3.27Å; Y38-M42 WeakPolarHBondContact O-CB 3.37Å; Y38-M42 VanDerWaalsContact O-CG 3.23Å; Y38-M42 WeakPolarHBondContact O-CG 3.46Å; Y38-M42 PolarHBondContact O-N 3.21Å; Y38-V229 HydrophobicContact CD1-CG1 3.64Å; Y38-V229 HydrophobicContact CE1-CG1 3.91Å; Y38-V229 HydrophobicContact CG-CG1 4.06Å; Y38-V233 HydrophobicContact CD1-CG2 4.49Å; Y38-F256 HydrophobicContact CD1-CE2 4.19Å; Y38-F256 HydrophobicContact CD1-CZ 4.29Å; Y38-F256 HydrophobicContact CE1-CE1 4.24Å; Y38-F256 HydrophobicContact CE1-CE2 4.13Å; Y38-F256 AromaticContact CE1-CZ 3.87Å; Y38-F256 HydrophobicContact CE1-CZ 3.87Å; Y38-Y258 WeakPolarHBondContact CE1-OH 3.3Å; Y38-F274 AromaticContact CD1-CE1 3.56Å; Y38-F274 HydrophobicContact CD1-CE1 3.56Å; Y38-F274 HydrophobicContact CD1-CE2 4.45Å; Y38-F274 AromaticContact CD1-CZ 3.36Å; Y38-F274 HydrophobicContact CD1-CZ 3.36Å; Y38-F274 AromaticContact CD2-CE1 3.91Å; Y38-F274 HydrophobicContact CD2-CE1 3.91Å; Y38-F274 HydrophobicContact CD2-CZ 4.47Å; Y38-F274 HydrophobicContact CE1-CE1 4.03Å; Y38-F274 HydrophobicContact CE1-CZ 4.05Å; Y38-F274 HydrophobicContact CE2-CE1 4.34Å; Y38-F274 HydrophobicContact CG-CD1 4.38Å; Y38-F274 AromaticContact CG-CE1 3.49Å; Y38-F274 HydrophobicContact CG-CE1 3.49Å; Y38-F274 VanDerWaalsContact CG-CE1 3.49Å; Y38-F274 AromaticContact CG-CZ 3.61Å; Y38-F274 HydrophobicContact CG-CZ 3.61Å; Y38-E290 WeakPolarHBondContact CE1-OE2 3.34Å; Y38-E290 PolarHBondContact OH-OE1 2.78Å; Y38-E290 PolarHBondContact OH-OE2 3.11Å; Y38-Y326 HydrophobicContact CD2-CD2 4.36Å; Y38-Y326 HydrophobicContact CE2-CD1 4.26Å; Y38-Y326 AromaticContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CD2 3.48Å; Y38-Y326 VanDerWaalsContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CE1 4.45Å; Y38-Y326 AromaticContact CE2-CE2 3.67Å; Y38-Y326 HydrophobicContact CE2-CE2 3.67Å; Y38-Y326 AromaticContact CE2-CG 3.71Å; Y38-Y326 HydrophobicContact CE2-CG 3.71Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.2Å; Y38-Y326 VanDerWaalsContact OH-CZ 3.24Å; Y38-Y326 PolarHBondContact OH-OH 2.88Å |
| 39 | R | 95.7 | Very high | 94.4 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.5 | -51 | 176.7 | -178.9 | 171.4 | 62.2 | -111.7 | 2.2 | 111 | L30 V33 F35 S36 M42 K43 E182 | L30-R39 WeakPolarHBondContact O-CD 3.32Å; L30-R39 WeakPolarHBondContact O-CG 3.25Å; V33-R39 HydrophobicContact CB-CB 3.85Å; V33-R39 HydrophobicContact CB-CG 4.22Å; V33-R39 HydrophobicContact CG1-CB 3.87Å; V33-R39 PolarHBondContact O-NH1 3.26Å; F35-R39 WeakPolarHBondContact O-CB 3.48Å; F35-R39 PolarHBondContact O-N 3.26Å; S36-R39 PolarHBondContact O-N 3.48Å; R39-M42 PolarHBondContact O-N 3.13Å; R39-K43 HydrophobicContact CG-CD 4.47Å; R39-K43 WeakPolarHBondContact O-CG 3.43Å; R39-K43 PolarHBondContact O-N 3.27Å; R39-E182 WeakPolarHBondContact CD-OE1 3.37Å; R39-E182 IonicContact CZ-OE1 2.72Å; R39-E182 IonicContact CZ-OE2 3.53Å; R39-E182 IonicContact NE-OE1 3.38Å; R39-E182 PolarHBondContact NE-OE1 2.94Å; R39-E182 IonicContact NE-OE2 3.84Å; R39-E182 PolarHBondContact NE-OE2 3.27Å; R39-E182 IonicContact NH2-OE1 3.76Å; R39-E182 IonicContact NH2-OE2 2.64Å; R39-E182 PolarHBondContact NH2-OE2 2.71Å |
| 40 | T | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.3 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | S36 Y38 M42 K43 L44 P177 L180 E182 F186 W226 | S36-T40 WeakPolarHBondContact O-CB 3.27Å; S36-T40 PolarHBondContact O-N 2.87Å; S36-T40 PolarHBondContact O-OG1 2.89Å; Y38-T40 VanDerWaalsContact C-N 3.33Å; Y38-T40 PolarHBondContact O-N 3.13Å; T40-M42 PolarHBondContact O-N 2.92Å; T40-K43 WeakPolarHBondContact O-CB 3.44Å; T40-K43 PolarHBondContact O-N 2.78Å; T40-L44 HydrophobicContact CG2-CD1 4.11Å; T40-L44 HydrophobicContact CG2-CG 4.46Å; T40-L44 WeakPolarHBondContact O-CB 3.37Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.11Å; T40-P177 HydrophobicContact CG2-CB 3.97Å; T40-L180 HydrophobicContact CG2-CD1 4.22Å; T40-E182 HydrophobicContact CG2-CB 4.3Å; T40-E182 HydrophobicContact CG2-CG 4.48Å; T40-E182 WeakPolarHBondContact OG1-CB 3.35Å; T40-E182 WeakPolarHBondContact OG1-CG 3.45Å; T40-F186 HydrophobicContact CG2-CE2 3.76Å; T40-F186 HydrophobicContact CG2-CZ 3.77Å; T40-F186 VanDerWaalsContact OG1-CE2 3.29Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.17Å; T40-F186 VanDerWaalsContact OG1-CZ 3.3Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.28Å; T40-W226 HydrophobicContact CG2-CB 4.21Å |
| 41 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A37 Y38 L44 R45 V229 L230 V233 | A37-A41 WeakPolarHBondContact O-CB 3.43Å; A37-A41 PolarHBondContact O-N 3.03Å; Y38-A41 PolarHBondContact O-N 3.27Å; A41-L44 PolarHBondContact O-N 2.9Å; A41-R45 WeakPolarHBondContact O-CB 3.36Å; A41-R45 PolarHBondContact O-N 2.82Å; A41-V229 HydrophobicContact CB-CB 3.99Å; A41-V229 HydrophobicContact CB-CG1 3.55Å; A41-L230 HydrophobicContact CB-CB 4.28Å; A41-L230 WeakPolarHBondContact O-CD1 3.24Å; A41-V233 HydrophobicContact CB-CG2 3.86Å |
| 42 | M | 96.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.4 | -70.8 | 178.3 | 78.5 | 0 | 0 | 111.6 | L30 V33 Y38 R39 T40 R45 R46 V233 F274 | L30-M42 HydrophobicContact CD1-CB 3.92Å; L30-M42 HydrophobicContact CD2-CB 4.29Å; L30-M42 HydrophobicContact CD2-CE 3.78Å; L30-M42 HydrophobicContact CD2-SD 4.48Å; V33-M42 HydrophobicContact CG2-SD 3.94Å; Y38-M42 WeakPolarHBondContact O-CB 3.37Å; Y38-M42 VanDerWaalsContact O-CG 3.23Å; Y38-M42 WeakPolarHBondContact O-CG 3.46Å; Y38-M42 PolarHBondContact O-N 3.21Å; R39-M42 PolarHBondContact O-N 3.13Å; T40-M42 PolarHBondContact O-N 2.92Å; M42-R45 PolarHBondContact O-N 2.8Å; M42-R46 PolarHBondContact O-N 3.05Å; M42-V233 HydrophobicContact CG-CG1 4.21Å; M42-V233 HydrophobicContact CG-CG2 4.21Å; M42-F274 HydrophobicContact CE-CE2 4.46Å; M42-F274 HydrophobicContact SD-CD2 3.83Å; M42-F274 HydrophobicContact SD-CE2 3.51Å; M42-F274 VanDerWaalsContact SD-CE2 3.51Å |
| 43 | K | 98.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 6% | 0.057 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 172.8 | -74.4 | 179.3 | 177 | 177 | 0 | 110.9 | L27 L30 N31 R39 T40 R45 R46 L47 L180 E182 | L27-K43 HydrophobicContact CB-CD 4.38Å; L27-K43 HydrophobicContact CB-CG 4.11Å; L27-K43 HydrophobicContact CD1-CB 4.22Å; L27-K43 HydrophobicContact CD1-CG 4.46Å; L27-K43 HydrophobicContact CD2-CB 4.37Å; L27-K43 HydrophobicContact CD2-CG 4.47Å; L27-K43 WeakPolarHBondContact O-CE 3.36Å; L30-K43 HydrophobicContact CB-CG 4.16Å; L30-K43 HydrophobicContact CD1-CB 4.36Å; L30-K43 HydrophobicContact CD1-CG 3.76Å; N31-K43 WeakPolarHBondContact OD1-CE 3.49Å; N31-K43 PolarHBondContact OD1-NZ 2.92Å; R39-K43 HydrophobicContact CG-CD 4.47Å; R39-K43 WeakPolarHBondContact O-CG 3.43Å; R39-K43 PolarHBondContact O-N 3.27Å; T40-K43 WeakPolarHBondContact O-CB 3.44Å; T40-K43 PolarHBondContact O-N 2.78Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.3Å; K43-R46 PolarHBondContact O-N 2.87Å; K43-L47 PolarHBondContact O-N 3.26Å; K43-L180 HydrophobicContact CB-CD1 3.91Å; K43-E182 IonicContact NZ-OE1 3.73Å; K43-E182 PolarHBondContact NZ-OE1 3.02Å |
| 44 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -36.2 | 176.3 | -72.2 | 174 | 0 | 0 | 0 | 112.4 | T40 A41 L47 Q48 I176 L180 W226 L230 | T40-L44 HydrophobicContact CG2-CD1 4.11Å; T40-L44 HydrophobicContact CG2-CG 4.46Å; T40-L44 WeakPolarHBondContact O-CB 3.37Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.11Å; A41-L44 PolarHBondContact O-N 2.9Å; L44-L47 HydrophobicContact CD2-CD2 4.25Å; L44-L47 PolarHBondContact O-N 2.95Å; L44-Q48 WeakPolarHBondContact O-CB 3.5Å; L44-Q48 PolarHBondContact O-N 3.4Å; L44-I176 HydrophobicContact CD1-CG2 4.16Å; L44-I176 HydrophobicContact CD2-CG2 3.49Å; L44-I176 VanDerWaalsContact CD2-CG2 3.49Å; L44-I176 HydrophobicContact CG-CG2 4.49Å; L44-L180 HydrophobicContact CD2-CD1 3.58Å; L44-L180 HydrophobicContact CG-CD1 3.69Å; L44-W226 HydrophobicContact CD1-CD2 4.28Å; L44-W226 HydrophobicContact CD1-CE3 3.45Å; L44-W226 VanDerWaalsContact CD1-CE3 3.45Å; L44-W226 HydrophobicContact CD1-CZ3 3.99Å; L44-L230 HydrophobicContact CB-CD1 4.08Å; L44-L230 HydrophobicContact CB-CD2 4.34Å |
| 45 | R | 98.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 22 Ų | 22 | 11% | 0.109 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176.4 | -177.4 | 58.4 | 174.4 | 161.3 | 2.7 | 111.8 | A41 M42 K43 Q48 K49 D54 L230 V233 E237 | A41-R45 WeakPolarHBondContact O-CB 3.36Å; A41-R45 PolarHBondContact O-N 2.82Å; M42-R45 PolarHBondContact O-N 2.8Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 3.3Å; R45-Q48 VanDerWaalsContact CD-OE1 3.32Å; R45-Q48 PolarHBondContact O-N 3.49Å; R45-K49 VanDerWaalsContact CZ-CE 3.45Å; R45-K49 PolarHBondContact O-N 3.3Å; R45-K49 VanDerWaalsContact O-N 3.12Å; R45-D54 VanDerWaalsContact NH1-CB 3.28Å; R45-D54 IonicContact NH1-OD2 3.11Å; R45-L230 HydrophobicContact CB-CD1 3.78Å; R45-V233 HydrophobicContact CB-CG1 4.03Å; R45-V233 HydrophobicContact CG-CG1 4.05Å; R45-E237 VanDerWaalsContact CG-OE1 3.25Å; R45-E237 WeakPolarHBondContact CG-OE1 3.47Å; R45-E237 IonicContact CZ-OE1 2.8Å; R45-E237 IonicContact CZ-OE2 2.66Å; R45-E237 IonicContact NE-OE1 3.66Å; R45-E237 PolarHBondContact NE-OE1 3.02Å; R45-E237 IonicContact NE-OE2 3.76Å; R45-E237 PolarHBondContact NE-OE2 3.06Å; R45-E237 VanDerWaalsContact NE-OE2 3.16Å; R45-E237 IonicContact NH2-OE2 3.96Å; R45-E237 PolarHBondContact NH2-OE2 3.36Å |
| 46 | R | 98.4 | Very high | 96.9 | Very high | 108 Ų | 108 | 21.9 Ų | 21.9 | 41% | 0.408 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 175.6 | -163.8 | 171.7 | -166.2 | 172.1 | 4.1 | 111 | L23 S26 L27 D29 M42 K43 A50 | L23-R46 HydrophobicContact CD1-CG 4.21Å; S26-R46 PolarHBondContact O-NH1 3.3Å; S26-R46 PolarHBondContact OG-NE 3.07Å; L27-R46 HydrophobicContact CD2-CB 3.95Å; L27-R46 HydrophobicContact CD2-CG 4.23Å; D29-R46 IonicContact OD2-NH1 2.66Å; M42-R46 PolarHBondContact O-N 3.05Å; K43-R46 PolarHBondContact O-N 2.87Å; R46-A50 WeakPolarHBondContact O-CB 3.5Å; R46-A50 PolarHBondContact O-N 3.32Å |
| 47 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 173.4 | 176 | 69.1 | 0 | 0 | 0 | 112.2 | M20 L23 K43 L44 K49 A50 L51 W113 L138 | M20-L47 HydrophobicContact CE-CD1 4.21Å; L23-L47 HydrophobicContact CD2-CD1 3.58Å; K43-L47 PolarHBondContact O-N 3.26Å; L44-L47 HydrophobicContact CD2-CD2 4.25Å; L44-L47 PolarHBondContact O-N 2.95Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.32Å; L47-A50 PolarHBondContact O-N 3.19Å; L47-A50 VanDerWaalsContact O-N 3.13Å; L47-L51 HydrophobicContact CD1-CD1 3.76Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.37Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.32Å; L47-W113 HydrophobicContact CD1-CG 4.42Å; L47-W113 HydrophobicContact CD2-CD2 4.45Å; L47-W113 HydrophobicContact CD2-CG 4.31Å; L47-L138 HydrophobicContact CD2-CD1 4.39Å |
| 48 | Q | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55 | -45.5 | -179.4 | -174.2 | -167.8 | 25.8 | 0 | 0 | 111.5 | L44 R45 L51 C52 L53 D54 L138 | L44-Q48 WeakPolarHBondContact O-CB 3.5Å; L44-Q48 PolarHBondContact O-N 3.4Å; R45-Q48 VanDerWaalsContact CD-OE1 3.32Å; R45-Q48 PolarHBondContact O-N 3.49Å; Q48-L51 CarbonylContact O-C 3.42Å; Q48-L51 PolarHBondContact O-N 2.85Å; Q48-C52 PolarHBondContact O-N 3.18Å; Q48-C52 VanDerWaalsContact O-N 3.13Å; Q48-L53 HydrophobicContact CG-CB 4.19Å; Q48-L53 PolarHBondContact O-N 2.83Å; Q48-D54 HydrophobicContact CG-CB 3.87Å; Q48-L138 HydrophobicContact CG-CB 4.31Å; Q48-L138 WeakPolarHBondContact CG-O 3.46Å; Q48-L138 PolarHBondContact NE2-O 3.45Å |
| 49 | K | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 38% | 0.383 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66 | -44.5 | 175.5 | -75.3 | -179.7 | 170.9 | 172 | 0 | 112.8 | R45 L47 L51 C52 D54 E237 | R45-K49 VanDerWaalsContact CZ-CE 3.45Å; R45-K49 PolarHBondContact O-N 3.3Å; R45-K49 VanDerWaalsContact O-N 3.12Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.32Å; K49-L51 PolarHBondContact O-N 3.05Å; K49-C52 PolarHBondContact O-N 2.82Å; K49-D54 WeakPolarHBondContact CA-OD1 3.48Å; K49-E237 WeakPolarHBondContact CE-OE2 3.39Å; K49-E237 IonicContact NZ-OE1 3.82Å; K49-E237 PolarHBondContact NZ-OE1 3.12Å; K49-E237 IonicContact NZ-OE2 3.76Å; K49-E237 PolarHBondContact NZ-OE2 2.95Å |
| 50 | A | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 35% | 0.347 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.7 | -28.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L23 R46 L47 | L23-A50 HydrophobicContact CD1-CB 3.89Å; L23-A50 HydrophobicContact CD2-CB 3.64Å; L23-A50 HydrophobicContact CG-CB 4.41Å; R46-A50 WeakPolarHBondContact O-CB 3.5Å; R46-A50 PolarHBondContact O-N 3.32Å; L47-A50 PolarHBondContact O-N 3.19Å; L47-A50 VanDerWaalsContact O-N 3.13Å |
| 51 | L | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.4 | 173.7 | -60.1 | -177.2 | 0 | 0 | 0 | 113.3 | M20 L47 Q48 K49 L53 Y90 M109 C110 W113 | M20-L51 HydrophobicContact SD-CD2 4.28Å; L47-L51 HydrophobicContact CD1-CD1 3.76Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 3.95Å; L47-L51 HydrophobicContact CG-CG 4.37Å; L47-L51 WeakPolarHBondContact O-CG 3.5Å; L47-L51 PolarHBondContact O-N 3.32Å; Q48-L51 CarbonylContact O-C 3.42Å; Q48-L51 PolarHBondContact O-N 2.85Å; K49-L51 PolarHBondContact O-N 3.05Å; L51-L53 HydrophobicContact CB-CD1 4.08Å; L51-L53 HydrophobicContact CB-CG 3.9Å; L51-L53 HydrophobicContact CD1-CD1 4.07Å; L51-L53 PolarHBondContact O-N 2.98Å; L51-Y90 VanDerWaalsContact O-CE1 3.27Å; L51-Y90 WeakPolarHBondContact O-CE1 3.38Å; L51-Y90 PolarHBondContact O-OH 3.44Å; L51-M109 HydrophobicContact CD2-CB 3.63Å; L51-C110 HydrophobicContact CD2-CB 4.33Å; L51-W113 HydrophobicContact CD1-CB 4Å; L51-W113 HydrophobicContact CD1-CD2 3.78Å; L51-W113 HydrophobicContact CD1-CE3 3.69Å; L51-W113 HydrophobicContact CD1-CG 3.9Å; L51-W113 HydrophobicContact CD1-CZ3 4.47Å |
| 52 | C | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 10% | 0.095 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 19 | -174.5 | -52.6 | 0 | 0 | 0 | 0 | 114.9 | Q48 K49 D54 L55 Y90 L93 V101 | Q48-C52 PolarHBondContact O-N 3.18Å; Q48-C52 VanDerWaalsContact O-N 3.13Å; K49-C52 PolarHBondContact O-N 2.82Å; C52-D54 PolarHBondContact O-N 3.16Å; C52-L55 HydrophobicContact CB-CD1 4.32Å; C52-L55 WeakPolarHBondContact O-CB 3.48Å; C52-L55 PolarHBondContact O-N 3Å; C52-L55 VanDerWaalsContact O-N 3.14Å; C52-Y90 HydrophobicContact CB-CE1 4.28Å; C52-L93 HydrophobicContact CB-CD2 4.3Å; C52-L93 WeakPolarHBondContact O-CD2 3.41Å; C52-V101 HydrophobicContact CB-CG2 4.26Å |
| 53 | L | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -18 | -179.2 | -66.2 | 177.2 | 0 | 0 | 0 | 111.9 | Q48 L51 L55 L56 W113 I135 L138 C139 K140 | Q48-L53 HydrophobicContact CG-CB 4.19Å; Q48-L53 PolarHBondContact O-N 2.83Å; L51-L53 HydrophobicContact CB-CD1 4.08Å; L51-L53 HydrophobicContact CB-CG 3.9Å; L51-L53 HydrophobicContact CD1-CD1 4.07Å; L51-L53 PolarHBondContact O-N 2.98Å; L53-L55 PolarHBondContact O-N 2.98Å; L53-L56 HydrophobicContact CD2-CD2 3.87Å; L53-L56 PolarHBondContact O-N 2.9Å; L53-W113 HydrophobicContact CD1-CZ3 4.05Å; L53-I135 HydrophobicContact CD2-CD1 4.24Å; L53-L138 CarbonylContact C-O 3.55Å; L53-L138 HydrophobicContact CB-CB 4.1Å; L53-L138 WeakPolarHBondContact CB-O 3.31Å; L53-L138 HydrophobicContact CD1-CB 3.72Å; L53-L138 HydrophobicContact CD1-CD1 4.06Å; L53-C139 CarbonylContact O-C 3.55Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.44Å; L53-K140 PolarHBondContact O-N 3.43Å |
| 54 | D | 96.9 | Very high | 98 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 17% | 0.171 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.2 | 170.6 | 66 | -45.8 | 0 | 0 | 0 | 113.8 | R45 Q48 K49 C52 K140 | R45-D54 VanDerWaalsContact NH1-CB 3.28Å; R45-D54 IonicContact NH1-OD2 3.11Å; Q48-D54 HydrophobicContact CG-CB 3.87Å; K49-D54 WeakPolarHBondContact CA-OD1 3.48Å; C52-D54 PolarHBondContact O-N 3.16Å; D54-K140 WeakPolarHBondContact O-CB 3.27Å; D54-K140 WeakPolarHBondContact O-CD 3.31Å |
| 55 | L | 96.8 | Very high | 98 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -24.9 | 171 | -54 | -179.1 | 0 | 0 | 0 | 112.2 | C52 L53 S57 L93 H97 L100 V101 | C52-L55 HydrophobicContact CB-CD1 4.32Å; C52-L55 WeakPolarHBondContact O-CB 3.48Å; C52-L55 PolarHBondContact O-N 3Å; C52-L55 VanDerWaalsContact O-N 3.14Å; L53-L55 PolarHBondContact O-N 2.98Å; L55-S57 PolarHBondContact O-N 3.35Å; L55-L93 HydrophobicContact CB-CD2 4.2Å; L55-H97 HydrophobicContact CD1-CB 4.22Å; L55-L100 HydrophobicContact CD1-CB 4.2Å; L55-L100 HydrophobicContact CD1-CD1 4.1Å; L55-V101 HydrophobicContact CD1-CG2 4.12Å |
| 56 | L | 98 | Very high | 97.9 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | -70.8 | 113 | -176.9 | 174.3 | 63.3 | 0 | 0 | 0 | 111.3 | L53 T60 A61 L89 L93 I135 C139 K140 | L53-L56 HydrophobicContact CD2-CD2 3.87Å; L53-L56 PolarHBondContact O-N 2.9Å; L56-T60 HydrophobicContact CD1-CG2 4.1Å; L56-A61 HydrophobicContact CD1-CB 4.26Å; L56-A61 HydrophobicContact CD2-CB 4.16Å; L56-A61 HydrophobicContact CG-CB 4.3Å; L56-L89 HydrophobicContact CD1-CD2 3.9Å; L56-L89 HydrophobicContact CD2-CD2 4.32Å; L56-L93 HydrophobicContact CB-CD1 4.04Å; L56-L93 HydrophobicContact CB-CD2 4.2Å; L56-L93 HydrophobicContact CD1-CD1 3.53Å; L56-L93 HydrophobicContact CG-CD1 4.36Å; L56-I135 HydrophobicContact CD2-CG2 3.63Å; L56-C139 HydrophobicContact CD2-CB 4.29Å; L56-C139 HydrophobicContact CG-CB 4.26Å; L56-C139 WeakPolarHBondContact O-CB 3.31Å; L56-K140 WeakPolarHBondContact O-CA 3.34Å; L56-K140 WeakPolarHBondContact O-CB 3.48Å; L56-K140 PolarHBondContact O-N 2.79Å | ||
| 57 | S | 97.8 | Very high | 97.9 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 28% | 0.28 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -68.9 | 148.4 | 171.5 | 88 | 0 | 0 | 0 | 0 | 111.5 | L55 Q59 T60 A61 | L55-S57 PolarHBondContact O-N 3.35Å; S57-Q59 PolarHBondContact O-N 2.77Å; S57-Q59 PolarHBondContact OG-N 3.15Å; S57-T60 PolarHBondContact O-N 3.34Å; S57-T60 WeakPolarHBondContact OG-CB 3.3Å; S57-T60 PolarHBondContact OG-N 2.99Å; S57-T60 PolarHBondContact OG-OG1 3.39Å; S57-A61 PolarHBondContact O-N 3.14Å; S57-A61 VanDerWaalsContact O-N 3.12Å |
| 58 | M | 97.3 | Very high | 97.9 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -36.1 | 173.6 | -173.9 | 175 | 74 | 0 | 0 | 112.4 | A61 C62 I136 K140 A141 D145 F149 | M58-A61 PolarHBondContact O-N 3.17Å; M58-C62 PolarHBondContact O-N 2.97Å; M58-C62 PolarHBondContact O-SG 2.95Å; M58-I136 HydrophobicContact CG-CD1 4.07Å; M58-K140 PolarHBondContact N-O 3.49Å; M58-A141 HydrophobicContact CB-CB 3.76Å; M58-A141 HydrophobicContact SD-CB 4.29Å; M58-D145 HydrophobicContact CE-CB 3.72Å; M58-D145 HydrophobicContact SD-CB 4.17Å; M58-F149 HydrophobicContact SD-CB 4.15Å |
| 59 | Q | 97.8 | Very high | 97.8 | Very high | 132 Ų | 132 | 47.2 Ų | 47.2 | 62% | 0.617 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60 | -51.7 | 178 | 178 | 178.8 | -4.8 | 0 | 0 | 111.1 | S57 A61 C62 E63 | S57-Q59 PolarHBondContact O-N 2.77Å; S57-Q59 PolarHBondContact OG-N 3.15Å; Q59-A61 VanDerWaalsContact C-N 3.27Å; Q59-A61 PolarHBondContact O-N 3.44Å; Q59-C62 WeakPolarHBondContact O-CB 3.49Å; Q59-C62 PolarHBondContact O-N 2.91Å; Q59-C62 VanDerWaalsContact O-N 3.12Å; Q59-E63 VanDerWaalsContact CG-OE1 3.29Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.44Å; Q59-E63 PolarHBondContact NE2-OE1 2.93Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.34Å |
| 60 | T | 97.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 177.4 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | L56 S57 E63 V64 R92 | L56-T60 HydrophobicContact CD1-CG2 4.1Å; S57-T60 PolarHBondContact O-N 3.34Å; S57-T60 WeakPolarHBondContact OG-CB 3.3Å; S57-T60 PolarHBondContact OG-N 2.99Å; S57-T60 PolarHBondContact OG-OG1 3.39Å; T60-E63 PolarHBondContact O-N 3.38Å; T60-V64 WeakPolarHBondContact O-CG2 3.34Å; T60-V64 PolarHBondContact O-N 3.07Å; T60-V64 VanDerWaalsContact O-N 3.13Å; T60-R92 HydrophobicContact CG2-CB 3.7Å; T60-R92 HydrophobicContact CG2-CG 4.09Å |
| 61 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L56 S57 M58 Q59 V64 F65 L89 I135 I136 | L56-A61 HydrophobicContact CD1-CB 4.26Å; L56-A61 HydrophobicContact CD2-CB 4.16Å; L56-A61 HydrophobicContact CG-CB 4.3Å; S57-A61 PolarHBondContact O-N 3.14Å; S57-A61 VanDerWaalsContact O-N 3.12Å; M58-A61 PolarHBondContact O-N 3.17Å; Q59-A61 VanDerWaalsContact C-N 3.27Å; Q59-A61 PolarHBondContact O-N 3.44Å; A61-V64 PolarHBondContact O-N 2.72Å; A61-F65 HydrophobicContact CB-CE2 4.26Å; A61-F65 HydrophobicContact CB-CZ 4.18Å; A61-F65 VanDerWaalsContact O-CD1 3.31Å; A61-F65 WeakPolarHBondContact O-CD1 3.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.47Å; A61-F65 WeakPolarHBondContact O-CG 3.43Å; A61-F65 PolarHBondContact O-N 2.89Å; A61-L89 HydrophobicContact CB-CD2 4.39Å; A61-I135 HydrophobicContact CB-CG2 4.28Å; A61-I136 HydrophobicContact CB-CD1 3.81Å |
| 62 | C | 98.3 | Very high | 97.2 | Very high | 31 Ų | 31 | 56 Ų | 56 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.7 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | M58 Q59 V64 F65 E66 F149 | M58-C62 PolarHBondContact O-N 2.97Å; M58-C62 PolarHBondContact O-SG 2.95Å; Q59-C62 WeakPolarHBondContact O-CB 3.49Å; Q59-C62 PolarHBondContact O-N 2.91Å; Q59-C62 VanDerWaalsContact O-N 3.12Å; C62-V64 VanDerWaalsContact C-N 3.29Å; C62-V64 PolarHBondContact O-N 2.97Å; C62-F65 WeakPolarHBondContact O-CB 3.35Å; C62-F65 PolarHBondContact O-N 3.17Å; C62-F65 VanDerWaalsContact O-N 3.14Å; C62-E66 WeakPolarHBondContact O-CG 3.34Å; C62-E66 PolarHBondContact O-N 3.34Å; C62-F149 WeakPolarHBondContact SG-CE2 3.47Å |
| 63 | E | 98 | Very high | 97.1 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 178.2 | -71.5 | 167.5 | -176.8 | 0 | 0 | 111.4 | Q59 T60 E66 Q67 | Q59-E63 VanDerWaalsContact CG-OE1 3.29Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.44Å; Q59-E63 PolarHBondContact NE2-OE1 2.93Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.34Å; T60-E63 PolarHBondContact O-N 3.38Å; E63-E66 PolarHBondContact O-N 2.93Å; E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 PolarHBondContact O-N 3.39Å |
| 64 | V | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | T60 A61 C62 E66 Q67 H68 L89 R92 | T60-V64 WeakPolarHBondContact O-CG2 3.34Å; T60-V64 PolarHBondContact O-N 3.07Å; T60-V64 VanDerWaalsContact O-N 3.13Å; A61-V64 PolarHBondContact O-N 2.72Å; C62-V64 VanDerWaalsContact C-N 3.29Å; C62-V64 PolarHBondContact O-N 2.97Å; V64-E66 VanDerWaalsContact C-N 3.26Å; V64-E66 PolarHBondContact O-N 3.37Å; V64-Q67 PolarHBondContact O-N 2.81Å; V64-H68 PolarHBondContact O-CD2 3.4Å; V64-H68 VanDerWaalsContact O-CD2 3.28Å; V64-H68 PolarHBondContact O-N 3.12Å; V64-L89 HydrophobicContact CB-CD2 3.71Å; V64-L89 HydrophobicContact CB-CG 4.24Å; V64-L89 HydrophobicContact CG1-CD2 4Å; V64-L89 HydrophobicContact CG1-CG 3.95Å; V64-L89 HydrophobicContact CG2-CD2 3.83Å; V64-L89 HydrophobicContact CG2-CG 4.41Å; V64-R92 HydrophobicContact CG2-CG 4.47Å |
| 65 | F | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 174.6 | -61 | -20.5 | 0 | 0 | 0 | 112.2 | A61 C62 T69 L70 F131 K132 I135 I136 F149 | A61-F65 HydrophobicContact CB-CE2 4.26Å; A61-F65 HydrophobicContact CB-CZ 4.18Å; A61-F65 VanDerWaalsContact O-CD1 3.31Å; A61-F65 WeakPolarHBondContact O-CD1 3.3Å; A61-F65 WeakPolarHBondContact O-CD2 3.47Å; A61-F65 WeakPolarHBondContact O-CG 3.43Å; A61-F65 PolarHBondContact O-N 2.89Å; C62-F65 WeakPolarHBondContact O-CB 3.35Å; C62-F65 PolarHBondContact O-N 3.17Å; C62-F65 VanDerWaalsContact O-N 3.14Å; F65-T69 PolarHBondContact O-N 2.75Å; F65-L70 HydrophobicContact CB-CB 4.29Å; F65-L70 HydrophobicContact CB-CD1 4.38Å; F65-L70 HydrophobicContact CD1-CD1 3.89Å; F65-L70 HydrophobicContact CG-CD1 4.41Å; F65-L70 WeakPolarHBondContact O-CB 3.28Å; F65-L70 PolarHBondContact O-N 3.13Å; F65-F131 AromaticContact CD1-CE1 3.89Å; F65-F131 HydrophobicContact CD1-CE1 3.89Å; F65-F131 HydrophobicContact CE1-CD1 4.08Å; F65-F131 AromaticContact CE1-CE1 3.42Å; F65-F131 HydrophobicContact CE1-CE1 3.42Å; F65-F131 VanDerWaalsContact CE1-CE1 3.42Å; F65-F131 HydrophobicContact CE1-CZ 4.13Å; F65-F131 HydrophobicContact CZ-CE1 4.35Å; F65-K132 HydrophobicContact CD2-CD 4.47Å; F65-K132 HydrophobicContact CD2-CG 4Å; F65-K132 HydrophobicContact CE2-CB 4.32Å; F65-K132 HydrophobicContact CE2-CG 3.82Å; F65-K132 HydrophobicContact CG-CG 4.49Å; F65-K132 HydrophobicContact CZ-CG 4.17Å; F65-I135 HydrophobicContact CE1-CG2 4.41Å; F65-I135 HydrophobicContact CZ-CB 4.05Å; F65-I135 HydrophobicContact CZ-CG2 3.84Å; F65-I136 HydrophobicContact CE2-CD1 3.92Å; F65-I136 HydrophobicContact CE2-CG1 3.99Å; F65-I136 HydrophobicContact CZ-CD1 4.4Å; F65-I136 HydrophobicContact CZ-CG1 4.45Å; F65-F149 HydrophobicContact CD2-CZ 4.26Å; F65-F149 HydrophobicContact CE2-CZ 4.18Å |
| 66 | E | 97.4 | Very high | 96.9 | Very high | 140 Ų | 140 | 68.2 Ų | 68.2 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 175.1 | -71.8 | 175.9 | -172.2 | 0 | 0 | 111.8 | C62 E63 V64 H68 T69 | C62-E66 WeakPolarHBondContact O-CG 3.34Å; C62-E66 PolarHBondContact O-N 3.34Å; E63-E66 PolarHBondContact O-N 2.93Å; V64-E66 VanDerWaalsContact C-N 3.26Å; V64-E66 PolarHBondContact O-N 3.37Å; E66-H68 VanDerWaalsContact C-N 3.28Å; E66-H68 PolarHBondContact O-N 3.11Å; E66-T69 WeakPolarHBondContact O-CA 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å |
| 67 | Q | 97.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 68.2 Ų | 68.2 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | 175.7 | -178.2 | -176.9 | -12.7 | 0 | 0 | 112.1 | E63 V64 T69 | E63-Q67 WeakPolarHBondContact O-CB 3.49Å; E63-Q67 PolarHBondContact O-N 3.39Å; V64-Q67 PolarHBondContact O-N 2.81Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.73Å |
| 68 | H | 97.6 | Very high | 96.9 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.2 | 177.6 | -73.3 | -91.4 | 0 | 0 | 0 | 113.4 | V64 E66 L70 A84 S88 | V64-H68 PolarHBondContact O-CD2 3.4Å; V64-H68 VanDerWaalsContact O-CD2 3.28Å; V64-H68 PolarHBondContact O-N 3.12Å; E66-H68 VanDerWaalsContact C-N 3.28Å; E66-H68 PolarHBondContact O-N 3.11Å; H68-L70 HydrophobicContact CB-CD1 4.44Å; H68-L70 HydrophobicContact CB-CD2 4.28Å; H68-L70 HydrophobicContact CB-CG 3.96Å; H68-L70 PolarHBondContact O-N 3.45Å; H68-A84 PolarHBondContact CE1-O 3.5Å; H68-S88 WeakPolarHBondContact NE2-CB 3.18Å; H68-S88 PolarHBondContact NE2-OG 3.01Å |
| 69 | T | 96.5 | Very high | 96.8 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36 | 176.9 | -43.4 | 0 | 0 | 0 | 0 | 113.3 | F65 E66 Q67 K71 | F65-T69 PolarHBondContact O-N 2.75Å; E66-T69 WeakPolarHBondContact O-CA 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.73Å; T69-K71 HydrophobicContact CG2-CD 4.42Å; T69-K71 PolarHBondContact O-N 3.17Å |
| 70 | L | 95.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | trans | -77.2 | 59.2 | -179.3 | -57.5 | -172.9 | 0 | 0 | 0 | 111.5 | F65 H68 L77 T128 F131 K132 | F65-L70 HydrophobicContact CB-CB 4.29Å; F65-L70 HydrophobicContact CB-CD1 4.38Å; F65-L70 HydrophobicContact CD1-CD1 3.89Å; F65-L70 HydrophobicContact CG-CD1 4.41Å; F65-L70 WeakPolarHBondContact O-CB 3.28Å; F65-L70 PolarHBondContact O-N 3.13Å; H68-L70 HydrophobicContact CB-CD1 4.44Å; H68-L70 HydrophobicContact CB-CD2 4.28Å; H68-L70 HydrophobicContact CB-CG 3.96Å; H68-L70 PolarHBondContact O-N 3.45Å; L70-L77 HydrophobicContact CD1-CD1 4.38Å; L70-L77 HydrophobicContact CD2-CD1 4.03Å; L70-L77 HydrophobicContact CD2-CD2 3.66Å; L70-T128 HydrophobicContact CB-CG2 3.89Å; L70-F131 HydrophobicContact CD1-CD1 3.84Å; L70-F131 HydrophobicContact CD1-CE1 3.71Å; L70-K132 WeakPolarHBondContact O-CE 3.49Å; L70-K132 PolarHBondContact O-NZ 3.32Å | ||
| 71 | K | 90.9 | Very high | 96.8 | Very high | 161 Ų | 161 | 69 Ų | 69 | 70% | 0.7 | 35% | 0.345 | S | S | * | . | trans | -88.8 | -39.8 | -175.2 | -64.5 | -177.1 | -179.7 | 178.7 | 0 | 112.6 | T69 N73 | T69-K71 HydrophobicContact CG2-CD 4.42Å; T69-K71 PolarHBondContact O-N 3.17Å; K71-N73 PolarHBondContact O-N 2.94Å | ||
| 72 | Q | 94.3 | Very high | 96.8 | Very high | 141 Ų | 141 | 69 Ų | 69 | 66% | 0.659 | 35% | 0.345 | S | S | * | . | trans | -87.2 | 109.5 | -177.3 | -68.8 | -175 | -18.5 | 0 | 0 | 110.9 | E74 Q75 T128 | Q72-E74 VanDerWaalsContact C-N 3.28Å; Q72-E74 PolarHBondContact O-N 3.33Å; Q72-Q75 HydrophobicContact CB-CB 4.1Å; Q72-Q75 VanDerWaalsContact O-CB 3.3Å; Q72-Q75 WeakPolarHBondContact O-CB 3.4Å; Q72-Q75 PolarHBondContact O-N 3.36Å; Q72-T128 VanDerWaalsContact O-CB 3.25Å; Q72-T128 WeakPolarHBondContact O-CB 3.29Å; Q72-T128 PolarHBondContact O-OG1 3.1Å | ||
| 73 | N | 96.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 69.9 Ų | 69.9 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.2 | -174.2 | -76.4 | -20.4 | 0 | 0 | 0 | 114.1 | K71 L129 K132 Q153 | K71-N73 PolarHBondContact O-N 2.94Å; N73-L129 HydrophobicContact CB-CB 4.08Å; N73-L129 WeakPolarHBondContact O-CB 3.37Å; N73-L129 PolarHBondContact O-N 3.4Å; N73-K132 PolarHBondContact OD1-NZ 3.13Å; N73-Q153 PolarHBondContact ND2-O 2.95Å; N73-Q153 PolarHBondContact ND2-OE1 3.28Å; N73-Q153 VanDerWaalsContact ND2-OE1 3.13Å; N73-Q153 PolarHBondContact OD1-OE1 3.31Å |
| 74 | E | 94.8 | Very high | 96.8 | Very high | 156 Ų | 156 | 67.8 Ų | 67.8 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.3 | 176 | -63.8 | 178.6 | 175.7 | 0 | 0 | 113.3 | Q72 L76 | Q72-E74 VanDerWaalsContact C-N 3.28Å; Q72-E74 PolarHBondContact O-N 3.33Å; E74-L76 PolarHBondContact O-N 3.4Å |
| 75 | Q | 96.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 137 | 179.1 | -177.9 | -176.7 | -8.1 | 0 | 0 | 110.7 | Q72 R127 T128 | Q72-Q75 HydrophobicContact CB-CB 4.1Å; Q72-Q75 VanDerWaalsContact O-CB 3.3Å; Q72-Q75 WeakPolarHBondContact O-CB 3.4Å; Q72-Q75 PolarHBondContact O-N 3.36Å; Q75-R127 CarbonylContact O-C 3.55Å; Q75-R127 WeakPolarHBondContact O-CA 3.45Å; Q75-T128 PolarHBondContact O-N 3.33Å; Q75-T128 PolarHBondContact O-OG1 3.35Å |
| 76 | L | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.9 | 172.3 | -66.6 | 176.5 | 0 | 0 | 0 | 110 | E74 K125 I126 R127 | E74-L76 PolarHBondContact O-N 3.4Å; L76-K125 HydrophobicContact CB-CB 4.27Å; L76-K125 HydrophobicContact CB-CD 4.22Å; L76-K125 HydrophobicContact CD1-CD 4.34Å; L76-I126 CarbonylContact C-O 3.55Å; L76-I126 WeakPolarHBondContact CA-O 3.36Å; L76-R127 HydrophobicContact CD2-CG 3.74Å |
| 77 | L | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.2 | 173.4 | -56.4 | 177.6 | 0 | 0 | 0 | 109.1 | L70 Q81 L82 K125 I126 F131 | L70-L77 HydrophobicContact CD1-CD1 4.38Å; L70-L77 HydrophobicContact CD2-CD1 4.03Å; L70-L77 HydrophobicContact CD2-CD2 3.66Å; L77-Q81 HydrophobicContact CB-CB 4.45Å; L77-L82 HydrophobicContact CB-CD2 3.98Å; L77-L82 HydrophobicContact CB-CG 4.09Å; L77-L82 HydrophobicContact CD1-CD2 4.04Å; L77-K125 WeakPolarHBondContact O-CA 3.26Å; L77-I126 PolarHBondContact N-O 3.27Å; L77-I126 PolarHBondContact O-N 2.97Å; L77-F131 HydrophobicContact CD1-CB 4.09Å; L77-F131 HydrophobicContact CD1-CD1 4.11Å; L77-F131 HydrophobicContact CD1-CG 4.19Å |
| 78 | D | 97.4 | Very high | 96.9 | Very high | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 172.6 | 171.7 | 71 | 32.3 | 0 | 0 | 0 | 112.5 | S80 Q81 L82 G124 K125 | D78-S80 VanDerWaalsContact C-N 3.25Å; D78-S80 PolarHBondContact O-N 3.24Å; D78-S80 WeakPolarHBondContact OD1-CA 3.19Å; D78-S80 VanDerWaalsContact OD1-CB 3.32Å; D78-S80 WeakPolarHBondContact OD1-CB 3.45Å; D78-S80 PolarHBondContact OD1-N 3.33Å; D78-Q81 VanDerWaalsContact N-OE1 3.08Å; D78-Q81 PolarHBondContact O-N 3.38Å; D78-Q81 WeakPolarHBondContact OD1-CG 3.38Å; D78-Q81 PolarHBondContact OD1-N 3.22Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.39Å; D78-L82 PolarHBondContact O-N 3.46Å; D78-G124 WeakPolarHBondContact CA-O 3.15Å; D78-K125 HydrophobicContact CB-CG 4.3Å |
| 79 | I | 96.5 | Very high | 97 | Very high | 39 Ų | 39 | 55.5 Ų | 55.5 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.9 | -39.3 | -179.8 | -62.4 | 175.3 | 0 | 0 | 0 | 112.2 | R2 L82 V83 L111 G124 | R2-I79 HydrophobicContact CB-CD1 4.04Å; I79-L82 PolarHBondContact O-N 3.44Å; I79-V83 HydrophobicContact CG2-CG2 4.18Å; I79-V83 WeakPolarHBondContact O-CB 3.34Å; I79-V83 VanDerWaalsContact O-CG2 3.25Å; I79-V83 WeakPolarHBondContact O-CG2 3.43Å; I79-V83 PolarHBondContact O-N 3.45Å; I79-L111 HydrophobicContact CG2-CD2 4.08Å; I79-G124 WeakPolarHBondContact CG1-O 3.27Å; I79-G124 PolarHBondContact N-O 2.98Å |
| 80 | S | 97.3 | Very high | 97 | Very high | 87 Ų | 87 | 51.5 Ų | 51.5 | 61% | 0.608 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | -178 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | D78 L82 V83 A84 | D78-S80 VanDerWaalsContact C-N 3.25Å; D78-S80 PolarHBondContact O-N 3.24Å; D78-S80 WeakPolarHBondContact OD1-CA 3.19Å; D78-S80 VanDerWaalsContact OD1-CB 3.32Å; D78-S80 WeakPolarHBondContact OD1-CB 3.45Å; D78-S80 PolarHBondContact OD1-N 3.33Å; S80-L82 PolarHBondContact O-N 2.84Å; S80-V83 PolarHBondContact O-N 2.83Å; S80-A84 WeakPolarHBondContact O-CB 3.49Å; S80-A84 PolarHBondContact O-N 2.69Å |
| 81 | Q | 97.9 | Very high | 97.1 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.1 | -64.8 | 176.9 | -62.4 | 0 | 0 | 111.9 | L77 D78 A84 C85 | L77-Q81 HydrophobicContact CB-CB 4.45Å; D78-Q81 VanDerWaalsContact N-OE1 3.08Å; D78-Q81 PolarHBondContact O-N 3.38Å; D78-Q81 WeakPolarHBondContact OD1-CG 3.38Å; D78-Q81 PolarHBondContact OD1-N 3.22Å; Q81-A84 PolarHBondContact O-N 2.75Å; Q81-C85 WeakPolarHBondContact O-CB 3.31Å; Q81-C85 PolarHBondContact O-N 3.02Å |
| 82 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176 | -69.1 | 168.6 | 0 | 0 | 0 | 111.5 | L77 D78 I79 S80 A84 C85 L86 L111 L115 I126 F131 | L77-L82 HydrophobicContact CB-CD2 3.98Å; L77-L82 HydrophobicContact CB-CG 4.09Å; L77-L82 HydrophobicContact CD1-CD2 4.04Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.39Å; D78-L82 PolarHBondContact O-N 3.46Å; I79-L82 PolarHBondContact O-N 3.44Å; S80-L82 PolarHBondContact O-N 2.84Å; L82-A84 PolarHBondContact O-N 3.42Å; L82-C85 PolarHBondContact O-N 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.11Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 3.02Å; L82-L111 HydrophobicContact CB-CD1 3.82Å; L82-L111 HydrophobicContact CD1-CD1 3.99Å; L82-L115 HydrophobicContact CD1-CD2 4.34Å; L82-I126 HydrophobicContact CD1-CD1 3.99Å; L82-I126 HydrophobicContact CD1-CG1 3.94Å; L82-I126 HydrophobicContact CD2-CD1 3.61Å; L82-I126 HydrophobicContact CD2-CG1 3.81Å; L82-I126 HydrophobicContact CG-CD1 4.46Å; L82-I126 HydrophobicContact CG-CG1 4.44Å; L82-F131 HydrophobicContact CD2-CB 4.44Å; L82-F131 HydrophobicContact CD2-CD2 3.65Å; L82-F131 HydrophobicContact CD2-CE2 4.09Å; L82-F131 HydrophobicContact CD2-CG 4.1Å |
| 83 | V | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.1 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | I79 S80 C85 L86 T87 V107 L111 | I79-V83 HydrophobicContact CG2-CG2 4.18Å; I79-V83 WeakPolarHBondContact O-CB 3.34Å; I79-V83 VanDerWaalsContact O-CG2 3.25Å; I79-V83 WeakPolarHBondContact O-CG2 3.43Å; I79-V83 PolarHBondContact O-N 3.45Å; S80-V83 PolarHBondContact O-N 2.83Å; V83-C85 PolarHBondContact O-N 3.49Å; V83-L86 PolarHBondContact O-N 3.42Å; V83-T87 VanDerWaalsContact O-CB 3.3Å; V83-T87 WeakPolarHBondContact O-CB 3.14Å; V83-T87 PolarHBondContact O-N 3.27Å; V83-T87 PolarHBondContact O-OG1 3.36Å; V83-V107 HydrophobicContact CG1-CG1 4.18Å; V83-V107 HydrophobicContact CG2-CG1 4.46Å; V83-L111 HydrophobicContact CG2-CD2 3.75Å |
| 84 | A | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | H68 S80 Q81 L82 T87 S88 | H68-A84 PolarHBondContact CE1-O 3.5Å; S80-A84 WeakPolarHBondContact O-CB 3.49Å; S80-A84 PolarHBondContact O-N 2.69Å; Q81-A84 PolarHBondContact O-N 2.75Å; L82-A84 PolarHBondContact O-N 3.42Å; A84-T87 PolarHBondContact O-N 3.3Å; A84-S88 PolarHBondContact O-N 2.8Å; A84-S88 VanDerWaalsContact O-N 3.09Å; A84-S88 PolarHBondContact O-OG 2.88Å |
| 85 | C | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | Q81 L82 V83 S88 L89 F131 | Q81-C85 WeakPolarHBondContact O-CB 3.31Å; Q81-C85 PolarHBondContact O-N 3.02Å; L82-C85 PolarHBondContact O-N 3.28Å; V83-C85 PolarHBondContact O-N 3.49Å; C85-S88 PolarHBondContact O-N 2.99Å; C85-L89 WeakPolarHBondContact O-CG 3.47Å; C85-L89 PolarHBondContact O-N 2.94Å; C85-F131 HydrophobicContact CB-CE1 4.32Å; C85-F131 HydrophobicContact CB-CZ 4.1Å; C85-F131 VanDerWaalsContact SG-CE1 3.51Å; C85-F131 VanDerWaalsContact SG-CZ 3.59Å |
| 86 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.3 | -71.4 | 173.2 | 0 | 0 | 0 | 111.5 | L82 V83 S88 L89 Y90 V107 C110 L111 L114 F131 I135 | L82-L86 WeakPolarHBondContact O-CB 3.11Å; L82-L86 VanDerWaalsContact O-CG 3.24Å; L82-L86 WeakPolarHBondContact O-CG 3.47Å; L82-L86 PolarHBondContact O-N 3.02Å; V83-L86 PolarHBondContact O-N 3.42Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.44Å; L86-L89 HydrophobicContact CD2-CD1 4.25Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3.21Å; L86-L89 VanDerWaalsContact O-N 3.16Å; L86-Y90 HydrophobicContact CB-CD2 4.43Å; L86-Y90 HydrophobicContact CD2-CE2 4.3Å; L86-Y90 WeakPolarHBondContact O-CD2 3.46Å; L86-Y90 PolarHBondContact O-N 2.96Å; L86-V107 HydrophobicContact CB-CG1 4.12Å; L86-V107 HydrophobicContact CB-CG2 4.13Å; L86-C110 HydrophobicContact CD1-CB 4.38Å; L86-C110 HydrophobicContact CD2-CB 4.21Å; L86-L111 HydrophobicContact CD1-CB 3.83Å; L86-L111 HydrophobicContact CD1-CD1 4.48Å; L86-L114 HydrophobicContact CD1-CD1 4.19Å; L86-L114 HydrophobicContact CD2-CD1 4.16Å; L86-F131 HydrophobicContact CD2-CE2 3.99Å; L86-F131 HydrophobicContact CD2-CZ 4.35Å; L86-F131 HydrophobicContact CG-CE2 4.3Å; L86-I135 HydrophobicContact CD2-CD1 4.11Å |
| 87 | T | 98.5 | Very high | 96.8 | Very high | 38 Ų | 38 | 47.9 Ų | 47.9 | 23% | 0.233 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | V83 A84 L89 Y90 Q91 | V83-T87 VanDerWaalsContact O-CB 3.3Å; V83-T87 WeakPolarHBondContact O-CB 3.14Å; V83-T87 PolarHBondContact O-N 3.27Å; V83-T87 PolarHBondContact O-OG1 3.36Å; A84-T87 PolarHBondContact O-N 3.3Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.44Å; T87-Y90 PolarHBondContact O-N 3.35Å; T87-Q91 HydrophobicContact CG2-CG 4.23Å; T87-Q91 WeakPolarHBondContact O-CB 3.32Å; T87-Q91 WeakPolarHBondContact O-CG 3.18Å; T87-Q91 PolarHBondContact O-N 2.94Å |
| 88 | S | 98.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 12% | 0.119 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | H68 A84 C85 L86 R92 | H68-S88 WeakPolarHBondContact NE2-CB 3.18Å; H68-S88 PolarHBondContact NE2-OG 3.01Å; A84-S88 PolarHBondContact O-N 2.8Å; A84-S88 VanDerWaalsContact O-N 3.09Å; A84-S88 PolarHBondContact O-OG 2.88Å; C85-S88 PolarHBondContact O-N 2.99Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.44Å; S88-R92 VanDerWaalsContact O-CG 3.29Å; S88-R92 WeakPolarHBondContact O-CG 3.35Å; S88-R92 PolarHBondContact O-N 2.87Å |
| 89 | L | 98.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -53.2 | 174.9 | -70.6 | 169.5 | 0 | 0 | 0 | 111 | L56 A61 V64 C85 L86 T87 Q91 R92 L93 F131 I135 | L56-L89 HydrophobicContact CD1-CD2 3.9Å; L56-L89 HydrophobicContact CD2-CD2 4.32Å; A61-L89 HydrophobicContact CB-CD2 4.39Å; V64-L89 HydrophobicContact CB-CD2 3.71Å; V64-L89 HydrophobicContact CB-CG 4.24Å; V64-L89 HydrophobicContact CG1-CD2 4Å; V64-L89 HydrophobicContact CG1-CG 3.95Å; V64-L89 HydrophobicContact CG2-CD2 3.83Å; V64-L89 HydrophobicContact CG2-CG 4.41Å; C85-L89 WeakPolarHBondContact O-CG 3.47Å; C85-L89 PolarHBondContact O-N 2.94Å; L86-L89 HydrophobicContact CD2-CD1 4.25Å; L86-L89 WeakPolarHBondContact O-CB 3.48Å; L86-L89 PolarHBondContact O-N 3.21Å; L86-L89 VanDerWaalsContact O-N 3.16Å; T87-L89 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.44Å; L89-Q91 PolarHBondContact O-N 2.95Å; L89-R92 WeakPolarHBondContact O-CB 3.24Å; L89-R92 PolarHBondContact O-N 3.22Å; L89-L93 WeakPolarHBondContact O-CD1 3.25Å; L89-L93 PolarHBondContact O-N 3.2Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L89-F131 HydrophobicContact CD1-CZ 4.42Å; L89-I135 HydrophobicContact CD1-CG2 4.43Å |
| 90 | Y | 98.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.3 | -28.9 | -174 | -74.4 | -65.4 | 0 | 0 | 0 | 113.5 | L51 C52 L86 T87 L93 E94 V101 S106 V107 C110 | L51-Y90 VanDerWaalsContact O-CE1 3.27Å; L51-Y90 WeakPolarHBondContact O-CE1 3.38Å; L51-Y90 PolarHBondContact O-OH 3.44Å; C52-Y90 HydrophobicContact CB-CE1 4.28Å; L86-Y90 HydrophobicContact CB-CD2 4.43Å; L86-Y90 HydrophobicContact CD2-CE2 4.3Å; L86-Y90 WeakPolarHBondContact O-CD2 3.46Å; L86-Y90 PolarHBondContact O-N 2.96Å; T87-Y90 PolarHBondContact O-N 3.35Å; Y90-L93 HydrophobicContact CD1-CD2 4.04Å; Y90-L93 HydrophobicContact CE1-CD2 4.16Å; Y90-L93 PolarHBondContact O-N 3.37Å; Y90-E94 WeakPolarHBondContact O-CB 3.36Å; Y90-E94 PolarHBondContact O-N 3.34Å; Y90-V101 HydrophobicContact CD1-CG1 4.01Å; Y90-S106 VanDerWaalsContact CD1-CB 3.43Å; Y90-S106 VanDerWaalsContact CE1-CB 3.43Å; Y90-S106 WeakPolarHBondContact CE2-O 3.39Å; Y90-V107 HydrophobicContact CD2-CG2 3.72Å; Y90-V107 HydrophobicContact CG-CG2 4.47Å; Y90-C110 HydrophobicContact CE2-CB 3.83Å; Y90-C110 VanDerWaalsContact OH-CB 3.28Å; Y90-C110 WeakPolarHBondContact OH-CB 3.42Å; Y90-C110 PolarHBondContact OH-SG 2.89Å |
| 91 | Q | 97.3 | Very high | 95.2 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 169.8 | -76.4 | 172.3 | -24.2 | 0 | 0 | 111.9 | T87 L89 L93 E94 Q95 V103 | T87-Q91 HydrophobicContact CG2-CG 4.23Å; T87-Q91 WeakPolarHBondContact O-CB 3.32Å; T87-Q91 WeakPolarHBondContact O-CG 3.18Å; T87-Q91 PolarHBondContact O-N 2.94Å; L89-Q91 PolarHBondContact O-N 2.95Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 2.99Å; Q91-E94 PolarHBondContact O-N 2.89Å; Q91-Q95 VanDerWaalsContact O-CG 3.3Å; Q91-Q95 WeakPolarHBondContact O-CG 3.27Å; Q91-Q95 PolarHBondContact O-N 3.1Å; Q91-Q95 VanDerWaalsContact O-N 3.12Å; Q91-V103 HydrophobicContact CG-CG1 4.25Å |
| 92 | R | 96.8 | Very high | 95.1 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 43% | 0.426 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 174.1 | -64.2 | -69 | -171.8 | 178.9 | 4.9 | 111.7 | T60 V64 S88 L89 S96 | T60-R92 HydrophobicContact CG2-CB 3.7Å; T60-R92 HydrophobicContact CG2-CG 4.09Å; V64-R92 HydrophobicContact CG2-CG 4.47Å; S88-R92 VanDerWaalsContact O-CG 3.29Å; S88-R92 WeakPolarHBondContact O-CG 3.35Å; S88-R92 PolarHBondContact O-N 2.87Å; L89-R92 WeakPolarHBondContact O-CB 3.24Å; L89-R92 PolarHBondContact O-N 3.22Å; R92-S96 PolarHBondContact O-N 2.94Å; R92-S96 PolarHBondContact O-OG 3.34Å |
| 93 | L | 95.9 | Very high | 95 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 176.4 | -93.6 | 70.6 | 0 | 0 | 0 | 111.9 | C52 L55 L56 L89 Y90 Q91 Q95 S96 H97 V101 | C52-L93 HydrophobicContact CB-CD2 4.3Å; C52-L93 WeakPolarHBondContact O-CD2 3.41Å; L55-L93 HydrophobicContact CB-CD2 4.2Å; L56-L93 HydrophobicContact CB-CD1 4.04Å; L56-L93 HydrophobicContact CB-CD2 4.2Å; L56-L93 HydrophobicContact CD1-CD1 3.53Å; L56-L93 HydrophobicContact CG-CD1 4.36Å; L89-L93 WeakPolarHBondContact O-CD1 3.25Å; L89-L93 PolarHBondContact O-N 3.2Å; L89-L93 VanDerWaalsContact O-N 3.1Å; Y90-L93 HydrophobicContact CD1-CD2 4.04Å; Y90-L93 HydrophobicContact CE1-CD2 4.16Å; Y90-L93 PolarHBondContact O-N 3.37Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 2.99Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; L93-Q95 PolarHBondContact O-N 2.9Å; L93-S96 CarbonylContact O-C 3.3Å; L93-S96 PolarHBondContact O-N 3.35Å; L93-H97 WeakPolarHBondContact O-CB 3.27Å; L93-H97 PolarHBondContact O-N 3.39Å; L93-V101 HydrophobicContact CB-CG1 4.3Å; L93-V101 HydrophobicContact CB-CG2 4.2Å |
| 94 | E | 96.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 178.2 | -176.5 | -176.9 | -129.5 | 0 | 0 | 111.5 | Y90 Q91 S96 H97 S98 V101 V103 | Y90-E94 WeakPolarHBondContact O-CB 3.36Å; Y90-E94 PolarHBondContact O-N 3.34Å; Q91-E94 PolarHBondContact O-N 2.89Å; E94-S96 PolarHBondContact O-N 3.5Å; E94-H97 CarbonylContact O-C 3.5Å; E94-H97 PolarHBondContact O-N 3.49Å; E94-S98 WeakPolarHBondContact O-CA 3.41Å; E94-S98 PolarHBondContact O-N 2.81Å; E94-V101 HydrophobicContact CB-CB 4.5Å; E94-V101 HydrophobicContact CB-CG1 4.48Å; E94-V103 HydrophobicContact CB-CG2 3.81Å; E94-V103 VanDerWaalsContact CD-CG2 3.49Å; E94-V103 HydrophobicContact CG-CG2 4.2Å; E94-V103 WeakPolarHBondContact OE2-CG2 3.49Å |
| 95 | Q | 93.5 | Very high | 94.7 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.5 | -33.8 | 173.8 | -72.8 | 168.7 | 3.7 | 0 | 0 | 112.7 | Q91 L93 | Q91-Q95 VanDerWaalsContact O-CG 3.3Å; Q91-Q95 WeakPolarHBondContact O-CG 3.27Å; Q91-Q95 PolarHBondContact O-N 3.1Å; Q91-Q95 VanDerWaalsContact O-N 3.12Å; L93-Q95 VanDerWaalsContact C-N 3.31Å; L93-Q95 PolarHBondContact O-N 2.9Å |
| 96 | S | 90.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 62.9 Ų | 62.9 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -93 | -22.5 | -178.9 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | R92 L93 E94 | R92-S96 PolarHBondContact O-N 2.94Å; R92-S96 PolarHBondContact O-OG 3.34Å; L93-S96 CarbonylContact O-C 3.3Å; L93-S96 PolarHBondContact O-N 3.35Å; E94-S96 PolarHBondContact O-N 3.5Å |
| 97 | H | 90.4 | Very high | 94.6 | Very high | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | trans | -144.6 | 52 | -167.9 | -60 | -61.3 | 0 | 0 | 0 | 111.9 | L55 L93 E94 H99 L100 V101 | L55-H97 HydrophobicContact CD1-CB 4.22Å; L93-H97 WeakPolarHBondContact O-CB 3.27Å; L93-H97 PolarHBondContact O-N 3.39Å; E94-H97 CarbonylContact O-C 3.5Å; E94-H97 PolarHBondContact O-N 3.49Å; H97-H99 VanDerWaalsContact C-N 3.25Å; H97-H99 PolarHBondContact O-N 3.01Å; H97-L100 HydrophobicContact CB-CB 4.3Å; H97-L100 HydrophobicContact CB-CD1 4.38Å; H97-L100 PolarHBondContact O-N 3.44Å; H97-V101 HydrophobicContact CB-CG2 4.2Å; H97-V101 PolarHBondContact O-N 3.13Å | ||
| 98 | S | 84.6 | Confident | 94.6 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 52% | 0.517 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.7 | -168.8 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | E94 | E94-S98 WeakPolarHBondContact O-CA 3.41Å; E94-S98 PolarHBondContact O-N 2.81Å |
| 99 | H | 87.8 | Confident | 94.5 | Very high | 183 Ų | 183 | 62.8 Ų | 62.8 | 85% | 0.847 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -10.6 | -179.4 | -59.8 | -65 | 0 | 0 | 0 | 114.6 | H97 | H97-H99 VanDerWaalsContact C-N 3.25Å; H97-H99 PolarHBondContact O-N 3.01Å |
| 100 | L | 88.9 | Confident | 94.5 | Very high | 117 Ų | 117 | 62.7 Ų | 62.7 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -20.5 | -174.7 | -61.8 | 177.8 | 0 | 0 | 0 | 112.9 | L55 H97 | L55-L100 HydrophobicContact CD1-CB 4.2Å; L55-L100 HydrophobicContact CD1-CD1 4.1Å; H97-L100 HydrophobicContact CB-CB 4.3Å; H97-L100 HydrophobicContact CB-CD1 4.38Å; H97-L100 PolarHBondContact O-N 3.44Å |
| 101 | V | 94.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | trans | -120.9 | 114.8 | -167.9 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | C52 L55 Y90 L93 E94 H97 | C52-V101 HydrophobicContact CB-CG2 4.26Å; L55-V101 HydrophobicContact CD1-CG2 4.12Å; Y90-V101 HydrophobicContact CD1-CG1 4.01Å; L93-V101 HydrophobicContact CB-CG1 4.3Å; L93-V101 HydrophobicContact CB-CG2 4.2Å; E94-V101 HydrophobicContact CB-CB 4.5Å; E94-V101 HydrophobicContact CB-CG1 4.48Å; H97-V101 HydrophobicContact CB-CG2 4.2Å; H97-V101 PolarHBondContact O-N 3.13Å | ||
| 102 | N | 95.6 | Very high | 94.5 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | trans | -94.2 | 109.1 | 164.4 | 178.8 | -54.4 | 0 | 0 | 0 | 107.7 | Q104 L105 S106 | N102-Q104 PolarHBondContact O-N 3.29Å; N102-Q104 PolarHBondContact OD1-N 2.89Å; N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 2.94Å; N102-L105 WeakPolarHBondContact OD1-CB 3.48Å; N102-L105 PolarHBondContact OD1-N 3.45Å; N102-S106 VanDerWaalsContact O-CB 3.26Å; N102-S106 WeakPolarHBondContact O-CB 3.49Å; N102-S106 PolarHBondContact O-N 3.33Å; N102-S106 PolarHBondContact O-OG 2.88Å | ||
| 103 | V | 95.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.8 | -52.4 | -172.5 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | Q91 E94 L105 S106 V107 | Q91-V103 HydrophobicContact CG-CG1 4.25Å; E94-V103 HydrophobicContact CB-CG2 3.81Å; E94-V103 VanDerWaalsContact CD-CG2 3.49Å; E94-V103 HydrophobicContact CG-CG2 4.2Å; E94-V103 WeakPolarHBondContact OE2-CG2 3.49Å; V103-L105 PolarHBondContact O-N 3.18Å; V103-S106 PolarHBondContact O-N 3.02Å; V103-V107 HydrophobicContact CG1-CG2 4.32Å; V103-V107 VanDerWaalsContact O-CG2 3.27Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 3.37Å |
| 104 | Q | 95.4 | Very high | 94.7 | Very high | 125 Ų | 125 | 52.8 Ų | 52.8 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -58 | -51.9 | -176.2 | -177 | 60.4 | 36.9 | 0 | 0 | 111.5 | N102 S106 V107 D108 | N102-Q104 PolarHBondContact O-N 3.29Å; N102-Q104 PolarHBondContact OD1-N 2.89Å; Q104-S106 VanDerWaalsContact C-N 3.33Å; Q104-S106 PolarHBondContact O-N 3.43Å; Q104-V107 PolarHBondContact O-N 2.9Å; Q104-D108 PolarHBondContact NE2-OD2 3.24Å; Q104-D108 PolarHBondContact O-N 3.28Å; Q104-D108 VanDerWaalsContact O-N 3.08Å |
| 105 | L | 95.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | -179.9 | 175.8 | 61.8 | 0 | 0 | 0 | 111.8 | H17 K19 N102 V103 V107 D108 M109 | H17-L105 VanDerWaalsContact CE1-CD1 3.48Å; H17-L105 WeakPolarHBondContact CE1-CD1 3.4Å; K19-L105 HydrophobicContact CD-CD1 3.79Å; K19-L105 HydrophobicContact CD-CD2 3.73Å; K19-L105 HydrophobicContact CD-CG 4.38Å; N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 2.94Å; N102-L105 WeakPolarHBondContact OD1-CB 3.48Å; N102-L105 PolarHBondContact OD1-N 3.45Å; V103-L105 PolarHBondContact O-N 3.18Å; L105-V107 VanDerWaalsContact C-N 3.35Å; L105-D108 PolarHBondContact O-N 3.3Å; L105-M109 HydrophobicContact CD1-CG 3.66Å; L105-M109 HydrophobicContact CD1-SD 4.25Å; L105-M109 HydrophobicContact CG-CG 4.06Å; L105-M109 WeakPolarHBondContact O-CB 3.37Å; L105-M109 WeakPolarHBondContact O-CG 3.44Å; L105-M109 PolarHBondContact O-N 3.46Å |
| 106 | S | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -39.4 | -178.1 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | Y90 N102 V103 Q104 C110 | Y90-S106 VanDerWaalsContact CD1-CB 3.43Å; Y90-S106 VanDerWaalsContact CE1-CB 3.43Å; Y90-S106 WeakPolarHBondContact CE2-O 3.39Å; N102-S106 VanDerWaalsContact O-CB 3.26Å; N102-S106 WeakPolarHBondContact O-CB 3.49Å; N102-S106 PolarHBondContact O-N 3.33Å; N102-S106 PolarHBondContact O-OG 2.88Å; V103-S106 PolarHBondContact O-N 3.02Å; Q104-S106 VanDerWaalsContact C-N 3.33Å; Q104-S106 PolarHBondContact O-N 3.43Å; S106-C110 WeakPolarHBondContact O-CB 3.46Å; S106-C110 PolarHBondContact O-N 3.15Å |
| 107 | V | 98.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -50.6 | 172.5 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V83 L86 Y90 V103 Q104 L105 M109 C110 L111 | V83-V107 HydrophobicContact CG1-CG1 4.18Å; V83-V107 HydrophobicContact CG2-CG1 4.46Å; L86-V107 HydrophobicContact CB-CG1 4.12Å; L86-V107 HydrophobicContact CB-CG2 4.13Å; Y90-V107 HydrophobicContact CD2-CG2 3.72Å; Y90-V107 HydrophobicContact CG-CG2 4.47Å; V103-V107 HydrophobicContact CG1-CG2 4.32Å; V103-V107 VanDerWaalsContact O-CG2 3.27Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 3.37Å; Q104-V107 PolarHBondContact O-N 2.9Å; L105-V107 VanDerWaalsContact C-N 3.35Å; V107-M109 PolarHBondContact O-N 3.01Å; V107-C110 PolarHBondContact O-N 3.22Å; V107-L111 WeakPolarHBondContact O-CB 3.29Å; V107-L111 PolarHBondContact O-N 3.31Å |
| 108 | D | 96.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 21% | 0.214 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | -177.2 | -77.4 | -37.1 | 0 | 0 | 0 | 113.1 | R2 Q104 L105 N112 | R2-D108 PolarHBondContact NH2-O 2.96Å; Q104-D108 PolarHBondContact NE2-OD2 3.24Å; Q104-D108 PolarHBondContact O-N 3.28Å; Q104-D108 VanDerWaalsContact O-N 3.08Å; L105-D108 PolarHBondContact O-N 3.3Å; D108-N112 VanDerWaalsContact O-CB 3.27Å; D108-N112 WeakPolarHBondContact O-CB 3.44Å; D108-N112 PolarHBondContact O-N 2.95Å |
| 109 | M | 97.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.054 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | 177.3 | -67.4 | -78.8 | -70.5 | 0 | 0 | 111.4 | H17 K19 M20 L23 L51 L105 V107 N112 W113 | H17-M109 HydrophobicContact CB-SD 4.46Å; H17-M109 PolarHBondContact ND1-SD 3.31Å; K19-M109 HydrophobicContact CB-CE 3.84Å; K19-M109 HydrophobicContact CB-SD 3.51Å; K19-M109 VanDerWaalsContact CB-SD 3.51Å; M20-M109 HydrophobicContact CB-SD 4.28Å; M20-M109 HydrophobicContact CG-CB 4.46Å; M20-M109 HydrophobicContact CG-CE 3.85Å; M20-M109 HydrophobicContact CG-SD 3.44Å; M20-M109 WeakPolarHBondContact CG-SD 3.25Å; M20-M109 PolarHBondContact N-SD 2.92Å; M20-M109 HydrophobicContact SD-CB 3.97Å; M20-M109 HydrophobicContact SD-CE 3.31Å; M20-M109 WeakPolarHBondContact SD-CE 3.32Å; M20-M109 HydrophobicContact SD-CG 4.43Å; M20-M109 HydrophobicContact SD-SD 3.66Å; M20-M109 VanDerWaalsContact SD-SD 3.66Å; L23-M109 HydrophobicContact CD2-CE 4.31Å; L51-M109 HydrophobicContact CD2-CB 3.63Å; L105-M109 HydrophobicContact CD1-CG 3.66Å; L105-M109 HydrophobicContact CD1-SD 4.25Å; L105-M109 HydrophobicContact CG-CG 4.06Å; L105-M109 WeakPolarHBondContact O-CB 3.37Å; L105-M109 WeakPolarHBondContact O-CG 3.44Å; L105-M109 PolarHBondContact O-N 3.46Å; V107-M109 PolarHBondContact O-N 3.01Å; M109-N112 PolarHBondContact O-N 3.46Å; M109-W113 PolarHBondContact O-N 3.22Å |
| 110 | C | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | -178.6 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | L51 L86 Y90 S106 V107 W113 L114 | L51-C110 HydrophobicContact CD2-CB 4.33Å; L86-C110 HydrophobicContact CD1-CB 4.38Å; L86-C110 HydrophobicContact CD2-CB 4.21Å; Y90-C110 HydrophobicContact CE2-CB 3.83Å; Y90-C110 VanDerWaalsContact OH-CB 3.28Å; Y90-C110 WeakPolarHBondContact OH-CB 3.42Å; Y90-C110 PolarHBondContact OH-SG 2.89Å; S106-C110 WeakPolarHBondContact O-CB 3.46Å; S106-C110 PolarHBondContact O-N 3.15Å; V107-C110 PolarHBondContact O-N 3.22Å; C110-W113 PolarHBondContact O-N 3.21Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 WeakPolarHBondContact O-CG 3.43Å; C110-L114 PolarHBondContact O-N 3.05Å |
| 111 | L | 98.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 171.2 | 176.9 | 68.9 | 0 | 0 | 0 | 110.8 | I79 L82 V83 L86 V107 W113 L114 L115 | I79-L111 HydrophobicContact CG2-CD2 4.08Å; L82-L111 HydrophobicContact CB-CD1 3.82Å; L82-L111 HydrophobicContact CD1-CD1 3.99Å; V83-L111 HydrophobicContact CG2-CD2 3.75Å; L86-L111 HydrophobicContact CD1-CB 3.83Å; L86-L111 HydrophobicContact CD1-CD1 4.48Å; V107-L111 WeakPolarHBondContact O-CB 3.29Å; V107-L111 PolarHBondContact O-N 3.31Å; L111-W113 VanDerWaalsContact C-N 3.33Å; L111-W113 PolarHBondContact O-N 2.93Å; L111-L114 PolarHBondContact O-N 3.21Å; L111-L115 HydrophobicContact CD1-CD1 4.05Å; L111-L115 HydrophobicContact CD1-CG 4.19Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.11Å; L111-L115 PolarHBondContact O-N 3.45Å |
| 112 | N | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -48.2 | 176.9 | 176.1 | -78.4 | 0 | 0 | 0 | 111.6 | R2 W15 D16 M20 D108 M109 L115 N116 | R2-N112 PolarHBondContact NH1-ND2 3.03Å; W15-N112 PolarHBondContact O-ND2 2.94Å; D16-N112 VanDerWaalsContact CA-ND2 3.32Å; D16-N112 WeakPolarHBondContact CA-ND2 3.21Å; D16-N112 PolarHBondContact OD1-ND2 3.37Å; D16-N112 PolarHBondContact OD1-OD1 2.83Å; M20-N112 HydrophobicContact CG-CB 3.96Å; M20-N112 WeakPolarHBondContact CG-OD1 3.45Å; D108-N112 VanDerWaalsContact O-CB 3.27Å; D108-N112 WeakPolarHBondContact O-CB 3.44Å; D108-N112 PolarHBondContact O-N 2.95Å; M109-N112 PolarHBondContact O-N 3.46Å; N112-L115 PolarHBondContact O-N 3.05Å; N112-N116 WeakPolarHBondContact O-CB 3.44Å; N112-N116 PolarHBondContact O-N 3.15Å; N112-N116 PolarHBondContact OD1-ND2 3.16Å; N112-N116 VanDerWaalsContact OD1-ND2 3.13Å |
| 113 | W | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 177.4 | 171.2 | 61.7 | 0 | 0 | 0 | 112.1 | M20 L47 L51 L53 M109 C110 L111 L115 N116 V117 L138 I176 | M20-W113 HydrophobicContact CE-CB 3.83Å; L47-W113 HydrophobicContact CD1-CG 4.42Å; L47-W113 HydrophobicContact CD2-CD2 4.45Å; L47-W113 HydrophobicContact CD2-CG 4.31Å; L51-W113 HydrophobicContact CD1-CB 4Å; L51-W113 HydrophobicContact CD1-CD2 3.78Å; L51-W113 HydrophobicContact CD1-CE3 3.69Å; L51-W113 HydrophobicContact CD1-CG 3.9Å; L51-W113 HydrophobicContact CD1-CZ3 4.47Å; L53-W113 HydrophobicContact CD1-CZ3 4.05Å; M109-W113 PolarHBondContact O-N 3.22Å; C110-W113 PolarHBondContact O-N 3.21Å; L111-W113 VanDerWaalsContact C-N 3.33Å; L111-W113 PolarHBondContact O-N 2.93Å; W113-L115 VanDerWaalsContact C-N 3.31Å; W113-L115 PolarHBondContact O-N 2.72Å; W113-N116 PolarHBondContact O-N 2.9Å; W113-N116 VanDerWaalsContact O-N 3.1Å; W113-V117 HydrophobicContact CD2-CG2 4.43Å; W113-V117 HydrophobicContact CG-CG2 4.45Å; W113-V117 HydrophobicContact CZ2-CG2 4.23Å; W113-V117 VanDerWaalsContact NE1-CG2 3.28Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 2.72Å; W113-L138 HydrophobicContact CH2-CD1 3.34Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.43Å; W113-L138 VanDerWaalsContact CZ2-CD1 3.43Å; W113-L138 HydrophobicContact CZ2-CG 4.22Å; W113-L138 HydrophobicContact CZ3-CD1 4Å; W113-I176 HydrophobicContact CZ2-CG1 4.44Å |
| 114 | L | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 179.6 | -75.3 | 165.1 | 0 | 0 | 0 | 112.3 | L86 C110 L111 V117 Y118 I126 F131 I135 | L86-L114 HydrophobicContact CD1-CD1 4.19Å; L86-L114 HydrophobicContact CD2-CD1 4.16Å; C110-L114 WeakPolarHBondContact O-CB 3.34Å; C110-L114 WeakPolarHBondContact O-CG 3.43Å; C110-L114 PolarHBondContact O-N 3.05Å; L111-L114 PolarHBondContact O-N 3.21Å; L114-V117 PolarHBondContact O-N 3.48Å; L114-Y118 HydrophobicContact CD2-CD2 4.2Å; L114-Y118 HydrophobicContact CD2-CE2 4.12Å; L114-Y118 PolarHBondContact O-N 2.8Å; L114-I126 HydrophobicContact CB-CD1 4.27Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.68Å; L114-F131 HydrophobicContact CD2-CD2 4.33Å; L114-I135 HydrophobicContact CD1-CD1 4.34Å |
| 115 | L | 97.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -35.8 | 176.8 | -65.4 | 175.5 | 0 | 0 | 0 | 111.9 | L82 L111 N112 W113 V117 D119 R122 I126 | L82-L115 HydrophobicContact CD1-CD2 4.34Å; L111-L115 HydrophobicContact CD1-CD1 4.05Å; L111-L115 HydrophobicContact CD1-CG 4.19Å; L111-L115 HydrophobicContact CG-CD1 3.99Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.11Å; L111-L115 PolarHBondContact O-N 3.45Å; N112-L115 PolarHBondContact O-N 3.05Å; W113-L115 VanDerWaalsContact C-N 3.31Å; W113-L115 PolarHBondContact O-N 2.72Å; L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.36Å; L115-D119 HydrophobicContact CB-CB 4.35Å; L115-D119 HydrophobicContact CD2-CB 3.76Å; L115-D119 CarbonylContact O-C 3.43Å; L115-D119 VanDerWaalsContact O-CA 3.29Å; L115-D119 WeakPolarHBondContact O-CA 3.3Å; L115-D119 PolarHBondContact O-N 3.03Å; L115-R122 PolarHBondContact O-NH1 3.2Å; L115-R122 VanDerWaalsContact O-NH1 3.13Å; L115-I126 HydrophobicContact CD2-CG2 4.19Å |
| 116 | N | 97.2 | Very high | 96.2 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -32.9 | 174 | -75.9 | -6.4 | 0 | 0 | 0 | 112.8 | D16 N112 W113 R122 Q179 | D16-N116 PolarHBondContact OD1-ND2 3.39Å; N112-N116 WeakPolarHBondContact O-CB 3.44Å; N112-N116 PolarHBondContact O-N 3.15Å; N112-N116 PolarHBondContact OD1-ND2 3.16Å; N112-N116 VanDerWaalsContact OD1-ND2 3.13Å; W113-N116 PolarHBondContact O-N 2.9Å; W113-N116 VanDerWaalsContact O-N 3.1Å; N116-R122 PolarHBondContact OD1-NH1 3.18Å; N116-R122 VanDerWaalsContact OD1-NH1 3.13Å; N116-R122 PolarHBondContact OD1-NH2 2.8Å; N116-Q179 HydrophobicContact CB-CG 4.05Å |
| 117 | V | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.4 | -47.4 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | W113 L114 L115 Q175 I176 Q179 | W113-V117 HydrophobicContact CD2-CG2 4.43Å; W113-V117 HydrophobicContact CG-CG2 4.45Å; W113-V117 HydrophobicContact CZ2-CG2 4.23Å; W113-V117 VanDerWaalsContact NE1-CG2 3.28Å; W113-V117 WeakPolarHBondContact O-CG2 3.41Å; W113-V117 PolarHBondContact O-N 2.72Å; L114-V117 PolarHBondContact O-N 3.48Å; L115-V117 VanDerWaalsContact C-N 3.3Å; L115-V117 PolarHBondContact O-N 3.36Å; V117-Q175 HydrophobicContact CG1-CB 3.55Å; V117-I176 HydrophobicContact CG1-CG1 4.13Å; V117-Q179 HydrophobicContact CG2-CB 3.84Å; V117-Q179 HydrophobicContact CG2-CG 3.82Å |
| 118 | Y | 98.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -117.2 | -11.7 | -164.2 | -59.6 | -64.6 | 0 | 0 | 0 | 115.7 | L114 S130 G134 D172 Q175 | L114-Y118 HydrophobicContact CD2-CD2 4.2Å; L114-Y118 HydrophobicContact CD2-CE2 4.12Å; L114-Y118 PolarHBondContact O-N 2.8Å; Y118-S130 WeakPolarHBondContact CE2-O 3.37Å; Y118-G134 PolarHBondContact OH-N 2.66Å; Y118-D172 HydrophobicContact CE1-CB 4.17Å; Y118-D172 WeakPolarHBondContact CE1-O 3.43Å; Y118-D172 PolarHBondContact OH-O 2.99Å; Y118-Q175 HydrophobicContact CD1-CB 4.11Å; Y118-Q175 HydrophobicContact CD1-CG 4.12Å; Y118-Q175 HydrophobicContact CE1-CB 3.87Å; Y118-Q175 HydrophobicContact CE1-CG 4.1Å |
| 119 | D | 96.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | trans | -126 | 57.3 | 177.6 | -173.5 | 33.5 | 0 | 0 | 0 | 111.1 | L115 G121 R122 T123 G124 I126 | L115-D119 HydrophobicContact CB-CB 4.35Å; L115-D119 HydrophobicContact CD2-CB 3.76Å; L115-D119 CarbonylContact O-C 3.43Å; L115-D119 VanDerWaalsContact O-CA 3.29Å; L115-D119 WeakPolarHBondContact O-CA 3.3Å; L115-D119 PolarHBondContact O-N 3.03Å; D119-G121 PolarHBondContact O-N 3.31Å; D119-R122 PolarHBondContact O-N 2.87Å; D119-R122 PolarHBondContact O-NH1 3.49Å; D119-R122 VanDerWaalsContact O-NH1 3.11Å; D119-R122 PolarHBondContact OD1-N 3.46Å; D119-R122 WeakPolarHBondContact OD2-CA 3.37Å; D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.29Å; D119-T123 PolarHBondContact OD1-N 2.75Å; D119-T123 PolarHBondContact OD1-OG1 3.34Å; D119-T123 PolarHBondContact OD2-N 3.33Å; D119-T123 VanDerWaalsContact OD2-N 3.1Å; D119-G124 WeakPolarHBondContact OD2-CA 3.33Å; D119-G124 PolarHBondContact OD2-N 2.96Å; D119-I126 HydrophobicContact CB-CG2 3.77Å | ||
| 120 | T | 90.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 29.6 Ų | 29.6 | 56% | 0.558 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.5 | 178 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | R122 | T120-R122 PolarHBondContact O-N 3.4Š|
| 121 | G | 90.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 29.6 Ų | 29.6 | 63% | 0.629 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -2.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D119 T123 | D119-G121 PolarHBondContact O-N 3.31Å; G121-T123 PolarHBondContact O-N 3.06Å |
| 122 | R | 90.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 30 Ų | 30 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | trans | 54.4 | 38 | 178.6 | -53.9 | -58.4 | -174.8 | -144.7 | 9.6 | 113.6 | L115 N116 D119 T120 G124 | L115-R122 PolarHBondContact O-NH1 3.2Å; L115-R122 VanDerWaalsContact O-NH1 3.13Å; N116-R122 PolarHBondContact OD1-NH1 3.18Å; N116-R122 VanDerWaalsContact OD1-NH1 3.13Å; N116-R122 PolarHBondContact OD1-NH2 2.8Å; D119-R122 PolarHBondContact O-N 2.87Å; D119-R122 PolarHBondContact O-NH1 3.49Å; D119-R122 VanDerWaalsContact O-NH1 3.11Å; D119-R122 PolarHBondContact OD1-N 3.46Å; D119-R122 WeakPolarHBondContact OD2-CA 3.37Å; T120-R122 PolarHBondContact O-N 3.4Å; R122-G124 PolarHBondContact O-N 3.39Å | ||
| 123 | T | 93.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 30 Ų | 30 | 61% | 0.613 | 17% | 0.166 | S | C | * | . | trans | -71.8 | -17.9 | 177.1 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | D119 G121 K125 | D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.29Å; D119-T123 PolarHBondContact OD1-N 2.75Å; D119-T123 PolarHBondContact OD1-OG1 3.34Å; D119-T123 PolarHBondContact OD2-N 3.33Å; D119-T123 VanDerWaalsContact OD2-N 3.1Å; G121-T123 PolarHBondContact O-N 3.06Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact OG1-N 3.28Å; T123-K125 PolarHBondContact OG1-O 3.37Å | ||
| 124 | G | 91.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 77.1 | 17 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D78 I79 D119 R122 | D78-G124 WeakPolarHBondContact CA-O 3.15Å; I79-G124 WeakPolarHBondContact CG1-O 3.27Å; I79-G124 PolarHBondContact N-O 2.98Å; D119-G124 WeakPolarHBondContact OD2-CA 3.33Å; D119-G124 PolarHBondContact OD2-N 2.96Å; R122-G124 PolarHBondContact O-N 3.39Å |
| 125 | K | 96 | Very high | 96.5 | Very high | 105 Ų | 105 | 29.9 Ų | 29.9 | 46% | 0.457 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.6 | 179.9 | -60.8 | -174.3 | -178.6 | -176.7 | 0 | 111.7 | L76 L77 D78 T123 | L76-K125 HydrophobicContact CB-CB 4.27Å; L76-K125 HydrophobicContact CB-CD 4.22Å; L76-K125 HydrophobicContact CD1-CD 4.34Å; L77-K125 WeakPolarHBondContact O-CA 3.26Å; D78-K125 HydrophobicContact CB-CG 4.3Å; T123-K125 VanDerWaalsContact C-N 3.31Å; T123-K125 PolarHBondContact OG1-N 3.28Å; T123-K125 PolarHBondContact OG1-O 3.37Å |
| 126 | I | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155 | 169.7 | 70.3 | -178.1 | 0 | 0 | 0 | 110.2 | L76 L77 L82 L114 L115 D119 F131 | L76-I126 CarbonylContact C-O 3.55Å; L76-I126 WeakPolarHBondContact CA-O 3.36Å; L77-I126 PolarHBondContact N-O 3.27Å; L77-I126 PolarHBondContact O-N 2.97Å; L82-I126 HydrophobicContact CD1-CD1 3.99Å; L82-I126 HydrophobicContact CD1-CG1 3.94Å; L82-I126 HydrophobicContact CD2-CD1 3.61Å; L82-I126 HydrophobicContact CD2-CG1 3.81Å; L82-I126 HydrophobicContact CG-CD1 4.46Å; L82-I126 HydrophobicContact CG-CG1 4.44Å; L114-I126 HydrophobicContact CB-CD1 4.27Å; L115-I126 HydrophobicContact CD2-CG2 4.19Å; D119-I126 HydrophobicContact CB-CG2 3.77Å; I126-F131 HydrophobicContact CD1-CB 3.97Å; I126-F131 HydrophobicContact CD1-CD2 4.33Å; I126-F131 HydrophobicContact CG1-CB 4.41Å |
| 127 | R | 98.3 | Very high | 96.6 | Very high | 72 Ų | 72 | 28.8 Ų | 28.8 | 27% | 0.272 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 147.7 | 175.7 | -61.5 | 179 | -64.5 | -174 | -2.1 | 111.1 | Q75 L76 L129 S130 F131 D172 | Q75-R127 CarbonylContact O-C 3.55Å; Q75-R127 WeakPolarHBondContact O-CA 3.45Å; L76-R127 HydrophobicContact CD2-CG 3.74Å; R127-L129 PolarHBondContact O-N 3.31Å; R127-S130 PolarHBondContact NE-OG 2.92Å; R127-S130 WeakPolarHBondContact O-CB 3.11Å; R127-S130 PolarHBondContact O-N 3.03Å; R127-F131 PolarHBondContact O-N 3.42Å; R127-D172 IonicContact CZ-OD1 2.66Å; R127-D172 IonicContact NH2-OD1 3.64Å; R127-D172 PolarHBondContact NH2-OD1 3.41Å; R127-D172 IonicContact NH2-OD2 3.97Å |
| 128 | T | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.7 | -39.4 | 171 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | L70 Q72 Q75 S130 F131 K132 | L70-T128 HydrophobicContact CB-CG2 3.89Å; Q72-T128 VanDerWaalsContact O-CB 3.25Å; Q72-T128 WeakPolarHBondContact O-CB 3.29Å; Q72-T128 PolarHBondContact O-OG1 3.1Å; Q75-T128 PolarHBondContact O-N 3.33Å; Q75-T128 PolarHBondContact O-OG1 3.35Å; T128-S130 VanDerWaalsContact C-N 3.33Å; T128-S130 PolarHBondContact O-N 3.34Å; T128-F131 PolarHBondContact O-N 2.93Å; T128-K132 HydrophobicContact CG2-CD 4.2Å; T128-K132 WeakPolarHBondContact O-CG 3.42Å; T128-K132 PolarHBondContact O-N 2.81Å |
| 129 | L | 98.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 174.4 | -176.7 | 60.4 | 0 | 0 | 0 | 112 | N73 R127 K132 T133 Q153 V154 L168 D172 | N73-L129 HydrophobicContact CB-CB 4.08Å; N73-L129 WeakPolarHBondContact O-CB 3.37Å; N73-L129 PolarHBondContact O-N 3.4Å; R127-L129 PolarHBondContact O-N 3.31Å; L129-K132 PolarHBondContact O-N 3.46Å; L129-T133 VanDerWaalsContact O-CB 3.31Å; L129-T133 WeakPolarHBondContact O-CB 3.39Å; L129-T133 PolarHBondContact O-N 3.36Å; L129-T133 PolarHBondContact O-OG1 2.88Å; L129-Q153 HydrophobicContact CD1-CB 3.67Å; L129-V154 HydrophobicContact CD1-CG1 3.96Å; L129-V154 HydrophobicContact CD2-CG1 3.98Å; L129-L168 HydrophobicContact CD2-CB 4Å; L129-D172 WeakPolarHBondContact CG-OD2 3.31Å |
| 130 | S | 98.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | -176.3 | -50.3 | 0 | 0 | 0 | 0 | 111 | Y118 R127 T128 T133 G134 D172 | Y118-S130 WeakPolarHBondContact CE2-O 3.37Å; R127-S130 PolarHBondContact NE-OG 2.92Å; R127-S130 WeakPolarHBondContact O-CB 3.11Å; R127-S130 PolarHBondContact O-N 3.03Å; T128-S130 VanDerWaalsContact C-N 3.33Å; T128-S130 PolarHBondContact O-N 3.34Å; S130-T133 PolarHBondContact O-N 2.92Å; S130-G134 PolarHBondContact O-N 3.31Å; S130-D172 WeakPolarHBondContact CA-OD2 3.22Å; S130-D172 WeakPolarHBondContact CB-OD2 3.3Å; S130-D172 PolarHBondContact N-OD2 3.18Å; S130-D172 VanDerWaalsContact OG-CG 3.23Å; S130-D172 PolarHBondContact OG-OD1 3.07Å; S130-D172 PolarHBondContact OG-OD2 3.25Å |
| 131 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -53.8 | 172.3 | 177.8 | -114.8 | 0 | 0 | 0 | 111.9 | F65 L70 L77 L82 C85 L86 L89 L114 I126 R127 T128 T133 G134 I135 | F65-F131 AromaticContact CD1-CE1 3.89Å; F65-F131 HydrophobicContact CD1-CE1 3.89Å; F65-F131 HydrophobicContact CE1-CD1 4.08Å; F65-F131 AromaticContact CE1-CE1 3.42Å; F65-F131 HydrophobicContact CE1-CE1 3.42Å; F65-F131 VanDerWaalsContact CE1-CE1 3.42Å; F65-F131 HydrophobicContact CE1-CZ 4.13Å; F65-F131 HydrophobicContact CZ-CE1 4.35Å; L70-F131 HydrophobicContact CD1-CD1 3.84Å; L70-F131 HydrophobicContact CD1-CE1 3.71Å; L77-F131 HydrophobicContact CD1-CB 4.09Å; L77-F131 HydrophobicContact CD1-CD1 4.11Å; L77-F131 HydrophobicContact CD1-CG 4.19Å; L82-F131 HydrophobicContact CD2-CB 4.44Å; L82-F131 HydrophobicContact CD2-CD2 3.65Å; L82-F131 HydrophobicContact CD2-CE2 4.09Å; L82-F131 HydrophobicContact CD2-CG 4.1Å; C85-F131 HydrophobicContact CB-CE1 4.32Å; C85-F131 HydrophobicContact CB-CZ 4.1Å; C85-F131 VanDerWaalsContact SG-CE1 3.51Å; C85-F131 VanDerWaalsContact SG-CZ 3.59Å; L86-F131 HydrophobicContact CD2-CE2 3.99Å; L86-F131 HydrophobicContact CD2-CZ 4.35Å; L86-F131 HydrophobicContact CG-CE2 4.3Å; L89-F131 HydrophobicContact CD1-CZ 4.42Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.68Å; L114-F131 HydrophobicContact CD2-CD2 4.33Å; I126-F131 HydrophobicContact CD1-CB 3.97Å; I126-F131 HydrophobicContact CD1-CD2 4.33Å; I126-F131 HydrophobicContact CG1-CB 4.41Å; R127-F131 PolarHBondContact O-N 3.42Å; T128-F131 PolarHBondContact O-N 2.93Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.12Å; F131-G134 PolarHBondContact O-N 3.27Å; F131-I135 HydrophobicContact CD2-CG1 4.16Å; F131-I135 HydrophobicContact CE2-CD1 4.21Å; F131-I135 HydrophobicContact CE2-CG1 3.8Å; F131-I135 HydrophobicContact CZ-CG1 4.02Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 2.95Å |
| 132 | K | 98.8 | Very high | 97 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 177.4 | -71.3 | 176.2 | 177.7 | 172.4 | 0 | 112 | F65 L70 N73 T128 L129 G134 I135 I136 F149 Q153 | F65-K132 HydrophobicContact CD2-CD 4.47Å; F65-K132 HydrophobicContact CD2-CG 4Å; F65-K132 HydrophobicContact CE2-CB 4.32Å; F65-K132 HydrophobicContact CE2-CG 3.82Å; F65-K132 HydrophobicContact CG-CG 4.49Å; F65-K132 HydrophobicContact CZ-CG 4.17Å; L70-K132 WeakPolarHBondContact O-CE 3.49Å; L70-K132 PolarHBondContact O-NZ 3.32Å; N73-K132 PolarHBondContact OD1-NZ 3.13Å; T128-K132 HydrophobicContact CG2-CD 4.2Å; T128-K132 WeakPolarHBondContact O-CG 3.42Å; T128-K132 PolarHBondContact O-N 2.81Å; L129-K132 PolarHBondContact O-N 3.46Å; K132-G134 PolarHBondContact O-N 2.92Å; K132-I135 PolarHBondContact O-N 3.5Å; K132-I136 VanDerWaalsContact O-CB 3.26Å; K132-I136 WeakPolarHBondContact O-CB 3.43Å; K132-I136 VanDerWaalsContact O-CG1 3.27Å; K132-I136 WeakPolarHBondContact O-CG1 3.33Å; K132-I136 PolarHBondContact O-N 3.44Å; K132-F149 HydrophobicContact CB-CE1 4.33Å; K132-F149 HydrophobicContact CD-CZ 4.4Å; K132-Q153 HydrophobicContact CD-CG 4.34Å |
| 133 | T | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | L129 S130 F131 S137 L150 D172 | L129-T133 VanDerWaalsContact O-CB 3.31Å; L129-T133 WeakPolarHBondContact O-CB 3.39Å; L129-T133 PolarHBondContact O-N 3.36Å; L129-T133 PolarHBondContact O-OG1 2.88Å; S130-T133 PolarHBondContact O-N 2.92Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.12Å; T133-S137 WeakPolarHBondContact O-CB 3.44Å; T133-S137 PolarHBondContact O-N 3.49Å; T133-S137 PolarHBondContact O-OG 3.09Å; T133-L150 HydrophobicContact CG2-CD2 4.23Å; T133-D172 HydrophobicContact CG2-CB 4.01Å |
| 134 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -55.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y118 S130 F131 K132 I136 S137 L138 | Y118-G134 PolarHBondContact OH-N 2.66Å; S130-G134 PolarHBondContact O-N 3.31Å; F131-G134 PolarHBondContact O-N 3.27Å; K132-G134 PolarHBondContact O-N 2.92Å; G134-I136 PolarHBondContact O-N 3.44Å; G134-S137 PolarHBondContact O-N 2.83Å; G134-L138 PolarHBondContact O-N 3.39Å |
| 135 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | -176.5 | -63.8 | -61.8 | 0 | 0 | 0 | 111.4 | L53 L56 A61 F65 L86 L89 L114 F131 K132 L138 C139 | L53-I135 HydrophobicContact CD2-CD1 4.24Å; L56-I135 HydrophobicContact CD2-CG2 3.63Å; A61-I135 HydrophobicContact CB-CG2 4.28Å; F65-I135 HydrophobicContact CE1-CG2 4.41Å; F65-I135 HydrophobicContact CZ-CB 4.05Å; F65-I135 HydrophobicContact CZ-CG2 3.84Å; L86-I135 HydrophobicContact CD2-CD1 4.11Å; L89-I135 HydrophobicContact CD1-CG2 4.43Å; L114-I135 HydrophobicContact CD1-CD1 4.34Å; F131-I135 HydrophobicContact CD2-CG1 4.16Å; F131-I135 HydrophobicContact CE2-CD1 4.21Å; F131-I135 HydrophobicContact CE2-CG1 3.8Å; F131-I135 HydrophobicContact CZ-CG1 4.02Å; F131-I135 WeakPolarHBondContact O-CG1 3.48Å; F131-I135 PolarHBondContact O-N 2.95Å; K132-I135 PolarHBondContact O-N 3.5Å; I135-L138 CarbonylContact O-C 3.48Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-C139 WeakPolarHBondContact O-CB 3.47Å; I135-C139 PolarHBondContact O-N 3.21Å |
| 136 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.7 | -33.5 | -176.8 | -63.1 | -59 | 0 | 0 | 0 | 112.5 | M58 A61 F65 K132 G134 L138 C139 K146 F149 L150 | M58-I136 HydrophobicContact CG-CD1 4.07Å; A61-I136 HydrophobicContact CB-CD1 3.81Å; F65-I136 HydrophobicContact CE2-CD1 3.92Å; F65-I136 HydrophobicContact CE2-CG1 3.99Å; F65-I136 HydrophobicContact CZ-CD1 4.4Å; F65-I136 HydrophobicContact CZ-CG1 4.45Å; K132-I136 VanDerWaalsContact O-CB 3.26Å; K132-I136 WeakPolarHBondContact O-CB 3.43Å; K132-I136 VanDerWaalsContact O-CG1 3.27Å; K132-I136 WeakPolarHBondContact O-CG1 3.33Å; K132-I136 PolarHBondContact O-N 3.44Å; G134-I136 PolarHBondContact O-N 3.44Å; I136-L138 PolarHBondContact O-N 3.44Å; I136-C139 PolarHBondContact O-N 2.85Å; I136-C139 PolarHBondContact O-SG 2.91Å; I136-K146 HydrophobicContact CG2-CB 4.28Å; I136-K146 HydrophobicContact CG2-CG 4.18Å; I136-K146 VanDerWaalsContact O-CD 3.3Å; I136-K146 WeakPolarHBondContact O-CD 3.2Å; I136-K146 VanDerWaalsContact O-CE 3.22Å; I136-K146 WeakPolarHBondContact O-CE 3.11Å; I136-F149 HydrophobicContact CB-CD1 4.11Å; I136-F149 HydrophobicContact CB-CE1 4.26Å; I136-F149 HydrophobicContact CD1-CE1 4.37Å; I136-F149 HydrophobicContact CD1-CZ 4.44Å; I136-F149 HydrophobicContact CG1-CD1 3.77Å; I136-F149 HydrophobicContact CG1-CE1 3.52Å; I136-F149 HydrophobicContact CG1-CG 4.48Å; I136-F149 HydrophobicContact CG1-CZ 4Å; I136-F149 HydrophobicContact CG2-CB 4.38Å; I136-F149 HydrophobicContact CG2-CD1 3.73Å; I136-F149 HydrophobicContact CG2-CE1 4.37Å; I136-F149 HydrophobicContact CG2-CG 4.18Å; I136-L150 HydrophobicContact CB-CD2 4.38Å; I136-L150 HydrophobicContact CG2-CD2 4.36Å; I136-L150 HydrophobicContact CG2-CG 4.34Å |
| 137 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 174.7 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | T133 G134 K146 L227 | T133-S137 WeakPolarHBondContact O-CB 3.44Å; T133-S137 PolarHBondContact O-N 3.49Å; T133-S137 PolarHBondContact O-OG 3.09Å; G134-S137 PolarHBondContact O-N 2.83Å; S137-K146 PolarHBondContact O-NZ 3.49Å; S137-L227 WeakPolarHBondContact O-CD1 3.46Å |
| 138 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -99.3 | -1.7 | -176.7 | -61.2 | -166.7 | 0 | 0 | 0 | 114.7 | L47 Q48 L53 W113 G134 I135 I136 L230 | L47-L138 HydrophobicContact CD2-CD1 4.39Å; Q48-L138 HydrophobicContact CG-CB 4.31Å; Q48-L138 WeakPolarHBondContact CG-O 3.46Å; Q48-L138 PolarHBondContact NE2-O 3.45Å; L53-L138 CarbonylContact C-O 3.55Å; L53-L138 HydrophobicContact CB-CB 4.1Å; L53-L138 WeakPolarHBondContact CB-O 3.31Å; L53-L138 HydrophobicContact CD1-CB 3.72Å; L53-L138 HydrophobicContact CD1-CD1 4.06Å; W113-L138 HydrophobicContact CH2-CD1 3.34Å; W113-L138 HydrophobicContact CH2-CG 3.89Å; W113-L138 HydrophobicContact CZ2-CD1 3.43Å; W113-L138 VanDerWaalsContact CZ2-CD1 3.43Å; W113-L138 HydrophobicContact CZ2-CG 4.22Å; W113-L138 HydrophobicContact CZ3-CD1 4Å; G134-L138 PolarHBondContact O-N 3.39Å; I135-L138 CarbonylContact O-C 3.48Å; I135-L138 PolarHBondContact O-N 2.98Å; I136-L138 PolarHBondContact O-N 3.44Å; L138-L230 HydrophobicContact CD2-CD2 3.75Å |
| 139 | C | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -72.5 | 169.4 | 178 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | L53 L56 I135 I136 A141 K146 | L53-C139 CarbonylContact O-C 3.55Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.44Å; L56-C139 HydrophobicContact CD2-CB 4.29Å; L56-C139 HydrophobicContact CG-CB 4.26Å; L56-C139 WeakPolarHBondContact O-CB 3.31Å; I135-C139 WeakPolarHBondContact O-CB 3.47Å; I135-C139 PolarHBondContact O-N 3.21Å; I136-C139 PolarHBondContact O-N 2.85Å; I136-C139 PolarHBondContact O-SG 2.91Å; C139-A141 PolarHBondContact O-N 3.1Å; C139-K146 WeakPolarHBondContact O-CE 3.49Å; C139-K146 PolarHBondContact O-NZ 3.35Å |
| 140 | K | 96.3 | Very high | 97.6 | Very high | 138 Ų | 138 | 30.4 Ų | 30.4 | 60% | 0.6 | 14% | 0.143 | S | C | * | . | B | Isolated β-bridge | trans | -83.6 | 104.7 | 169.9 | -173.4 | -176.9 | 176.3 | -178.5 | 0 | 110.5 | L53 D54 L56 M58 | L53-K140 PolarHBondContact O-N 3.43Å; D54-K140 WeakPolarHBondContact O-CB 3.27Å; D54-K140 WeakPolarHBondContact O-CD 3.31Å; L56-K140 WeakPolarHBondContact O-CA 3.34Å; L56-K140 WeakPolarHBondContact O-CB 3.48Å; L56-K140 PolarHBondContact O-N 2.79Å; M58-K140 PolarHBondContact N-O 3.49Å |
| 141 | A | 95.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 22% | 0.223 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -157.6 | 168.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | M58 C139 K146 H231 | M58-A141 HydrophobicContact CB-CB 3.76Å; M58-A141 HydrophobicContact SD-CB 4.29Å; C139-A141 PolarHBondContact O-N 3.1Å; A141-K146 HydrophobicContact CB-CG 4.01Å; A141-H231 PolarHBondContact O-CE1 3.28Å; A141-H231 VanDerWaalsContact O-CE1 3.25Å |
| 142 | H | 93.4 | Very high | 97.5 | Very high | 147 Ų | 147 | 38.7 Ų | 38.7 | 68% | 0.681 | 17% | 0.174 | S | C | * | . | trans | -66 | 148.3 | 166.3 | -65.4 | -72.7 | 0 | 0 | 0 | 110.4 | E144 D145 K146 | H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.19Å; H142-D145 HydrophobicContact CB-CB 4.45Å; H142-D145 WeakPolarHBondContact CB-OD2 3.3Å; H142-D145 IonicContact CD2-OD2 2.74Å; H142-D145 WeakPolarHBondContact O-CB 3.13Å; H142-D145 PolarHBondContact O-N 3.32Å; H142-K146 PolarHBondContact O-N 3.42Å | ||
| 143 | L | 93.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | -176.5 | -179.2 | 66.1 | 0 | 0 | 0 | 112 | D145 K146 Y147 L227 P228 | L143-D145 VanDerWaalsContact C-N 3.3Å; L143-D145 PolarHBondContact O-N 2.96Å; L143-K146 WeakPolarHBondContact O-CB 3.29Å; L143-K146 PolarHBondContact O-N 3.12Å; L143-Y147 HydrophobicContact CD1-CD1 4.46Å; L143-Y147 HydrophobicContact CD1-CE1 3.68Å; L143-Y147 HydrophobicContact CD1-CE2 4.08Å; L143-Y147 VanDerWaalsContact CD1-CZ 3.47Å; L143-Y147 WeakPolarHBondContact CD1-OH 3.38Å; L143-Y147 HydrophobicContact CD2-CE2 3.89Å; L143-Y147 HydrophobicContact CG-CD2 4.26Å; L143-Y147 HydrophobicContact CG-CE1 4.13Å; L143-Y147 HydrophobicContact CG-CE2 3.6Å; L143-Y147 PolarHBondContact O-N 3.29Å; L143-Y147 VanDerWaalsContact O-N 3.09Å; L143-L227 HydrophobicContact CD1-CG 3.91Å; L143-P228 HydrophobicContact CD2-CB 3.71Å |
| 144 | E | 94.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 179.1 | -168.1 | 173.3 | 129.5 | 0 | 0 | 111.8 | H142 K146 Y147 R148 L214 R218 | H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.19Å; E144-K146 PolarHBondContact O-N 3.45Å; E144-Y147 WeakPolarHBondContact O-CB 3.41Å; E144-Y147 PolarHBondContact O-N 3.04Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 IonicContact OE1-CZ 3.18Å; E144-R148 VanDerWaalsContact OE1-CZ 3.28Å; E144-R148 IonicContact OE1-NE 3.71Å; E144-R148 PolarHBondContact OE1-NE 3.08Å; E144-R148 IonicContact OE1-NH2 2.8Å; E144-R148 PolarHBondContact OE1-NH2 3.43Å; E144-L214 HydrophobicContact CG-CD1 4.14Å; E144-L214 HydrophobicContact CG-CD2 4.02Å; E144-R218 IonicContact OE2-NH2 3.77Å; E144-R218 PolarHBondContact OE2-NH2 3.23Å; E144-R218 VanDerWaalsContact OE2-NH2 3.11Å |
| 145 | D | 96.7 | Very high | 97.4 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.8 | -66.7 | -22.4 | 0 | 0 | 0 | 111.8 | M58 H142 L143 Y147 R148 F149 | M58-D145 HydrophobicContact CE-CB 3.72Å; M58-D145 HydrophobicContact SD-CB 4.17Å; H142-D145 HydrophobicContact CB-CB 4.45Å; H142-D145 WeakPolarHBondContact CB-OD2 3.3Å; H142-D145 IonicContact CD2-OD2 2.74Å; H142-D145 WeakPolarHBondContact O-CB 3.13Å; H142-D145 PolarHBondContact O-N 3.32Å; L143-D145 VanDerWaalsContact C-N 3.3Å; L143-D145 PolarHBondContact O-N 2.96Å; D145-Y147 PolarHBondContact O-N 3.42Å; D145-R148 PolarHBondContact O-N 3.21Å; D145-F149 WeakPolarHBondContact O-CB 3.27Å; D145-F149 PolarHBondContact O-N 3.01Å |
| 146 | K | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.6 | -65.6 | -179.3 | 176.3 | -176.2 | 0 | 111.2 | I136 S137 C139 A141 H142 L143 E144 R148 F149 L150 H231 | I136-K146 HydrophobicContact CG2-CB 4.28Å; I136-K146 HydrophobicContact CG2-CG 4.18Å; I136-K146 VanDerWaalsContact O-CD 3.3Å; I136-K146 WeakPolarHBondContact O-CD 3.2Å; I136-K146 VanDerWaalsContact O-CE 3.22Å; I136-K146 WeakPolarHBondContact O-CE 3.11Å; S137-K146 PolarHBondContact O-NZ 3.49Å; C139-K146 WeakPolarHBondContact O-CE 3.49Å; C139-K146 PolarHBondContact O-NZ 3.35Å; A141-K146 HydrophobicContact CB-CG 4.01Å; H142-K146 PolarHBondContact O-N 3.42Å; L143-K146 WeakPolarHBondContact O-CB 3.29Å; L143-K146 PolarHBondContact O-N 3.12Å; E144-K146 PolarHBondContact O-N 3.45Å; K146-R148 PolarHBondContact O-N 3.47Å; K146-F149 PolarHBondContact O-N 3.3Å; K146-L150 WeakPolarHBondContact O-CB 3.34Å; K146-L150 WeakPolarHBondContact O-CG 3.23Å; K146-L150 PolarHBondContact O-N 3.32Å; K146-H231 PolarHBondContact NZ-NE2 3.43Å |
| 147 | Y | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.9 | -64.6 | -21.4 | 0 | 0 | 0 | 112.1 | L143 E144 D145 L150 F151 L214 M217 L227 P228 | L143-Y147 HydrophobicContact CD1-CD1 4.46Å; L143-Y147 HydrophobicContact CD1-CE1 3.68Å; L143-Y147 HydrophobicContact CD1-CE2 4.08Å; L143-Y147 VanDerWaalsContact CD1-CZ 3.47Å; L143-Y147 WeakPolarHBondContact CD1-OH 3.38Å; L143-Y147 HydrophobicContact CD2-CE2 3.89Å; L143-Y147 HydrophobicContact CG-CD2 4.26Å; L143-Y147 HydrophobicContact CG-CE1 4.13Å; L143-Y147 HydrophobicContact CG-CE2 3.6Å; L143-Y147 PolarHBondContact O-N 3.29Å; L143-Y147 VanDerWaalsContact O-N 3.09Å; E144-Y147 WeakPolarHBondContact O-CB 3.41Å; E144-Y147 PolarHBondContact O-N 3.04Å; D145-Y147 PolarHBondContact O-N 3.42Å; Y147-L150 PolarHBondContact O-N 3.05Å; Y147-F151 VanDerWaalsContact O-CB 3.29Å; Y147-F151 WeakPolarHBondContact O-CB 3.48Å; Y147-F151 PolarHBondContact O-N 2.99Å; Y147-L214 HydrophobicContact CD2-CD2 4.05Å; Y147-L214 HydrophobicContact CG-CD2 4.22Å; Y147-M217 HydrophobicContact CD1-CE 3.62Å; Y147-M217 HydrophobicContact CD2-CB 3.85Å; Y147-M217 HydrophobicContact CD2-CE 4.42Å; Y147-M217 HydrophobicContact CD2-CG 4.31Å; Y147-M217 HydrophobicContact CE1-CE 3.15Å; Y147-M217 HydrophobicContact CE2-CB 3.66Å; Y147-M217 HydrophobicContact CE2-CE 4.03Å; Y147-M217 HydrophobicContact CE2-CG 4.38Å; Y147-M217 HydrophobicContact CG-CB 4.48Å; Y147-M217 HydrophobicContact CG-CE 4.23Å; Y147-M217 HydrophobicContact CG-CG 4.47Å; Y147-L227 HydrophobicContact CD1-CD2 4.35Å; Y147-L227 HydrophobicContact CE1-CD2 3.77Å; Y147-L227 HydrophobicContact CE1-CG 4.26Å; Y147-P228 WeakPolarHBondContact OH-CD 3.09Å |
| 148 | R | 98.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.4 | -72.8 | 175.6 | -178.4 | -77.3 | 1.5 | 111.7 | E144 D145 K146 R152 L214 | E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 IonicContact OE1-CZ 3.18Å; E144-R148 VanDerWaalsContact OE1-CZ 3.28Å; E144-R148 IonicContact OE1-NE 3.71Å; E144-R148 PolarHBondContact OE1-NE 3.08Å; E144-R148 IonicContact OE1-NH2 2.8Å; E144-R148 PolarHBondContact OE1-NH2 3.43Å; D145-R148 PolarHBondContact O-N 3.21Å; K146-R148 PolarHBondContact O-N 3.47Å; R148-R152 WeakPolarHBondContact O-CB 3.48Å; R148-R152 PolarHBondContact O-N 2.91Å; R148-L214 HydrophobicContact CG-CD1 3.81Å; R148-L214 HydrophobicContact CG-CD2 4.18Å; R148-L214 HydrophobicContact CG-CG 4.5Å; R148-L214 VanDerWaalsContact NH2-CD1 3.33Å |
| 149 | F | 98.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -52.1 | 177.5 | 178.7 | -82.3 | 0 | 0 | 0 | 111.2 | M58 C62 F65 K132 I136 D145 K146 R152 Q153 | M58-F149 HydrophobicContact SD-CB 4.15Å; C62-F149 WeakPolarHBondContact SG-CE2 3.47Å; F65-F149 HydrophobicContact CD2-CZ 4.26Å; F65-F149 HydrophobicContact CE2-CZ 4.18Å; K132-F149 HydrophobicContact CB-CE1 4.33Å; K132-F149 HydrophobicContact CD-CZ 4.4Å; I136-F149 HydrophobicContact CB-CD1 4.11Å; I136-F149 HydrophobicContact CB-CE1 4.26Å; I136-F149 HydrophobicContact CD1-CE1 4.37Å; I136-F149 HydrophobicContact CD1-CZ 4.44Å; I136-F149 HydrophobicContact CG1-CD1 3.77Å; I136-F149 HydrophobicContact CG1-CE1 3.52Å; I136-F149 HydrophobicContact CG1-CG 4.48Å; I136-F149 HydrophobicContact CG1-CZ 4Å; I136-F149 HydrophobicContact CG2-CB 4.38Å; I136-F149 HydrophobicContact CG2-CD1 3.73Å; I136-F149 HydrophobicContact CG2-CE1 4.37Å; I136-F149 HydrophobicContact CG2-CG 4.18Å; D145-F149 WeakPolarHBondContact O-CB 3.27Å; D145-F149 PolarHBondContact O-N 3.01Å; K146-F149 PolarHBondContact O-N 3.3Å; F149-R152 WeakPolarHBondContact O-CB 3.41Å; F149-R152 PolarHBondContact O-N 3.49Å; F149-Q153 HydrophobicContact CD1-CG 4.03Å; F149-Q153 HydrophobicContact CE1-CG 3.56Å; F149-Q153 HydrophobicContact CZ-CG 4.13Å; F149-Q153 WeakPolarHBondContact O-CG 3.49Å; F149-Q153 PolarHBondContact O-N 3.47Å; F149-Q153 VanDerWaalsContact O-N 3.16Å |
| 150 | L | 98.5 | Very high | 96.4 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | -176.5 | -71.5 | 174.7 | 0 | 0 | 0 | 111.9 | T133 I136 K146 Y147 R152 Q153 L169 | T133-L150 HydrophobicContact CG2-CD2 4.23Å; I136-L150 HydrophobicContact CB-CD2 4.38Å; I136-L150 HydrophobicContact CG2-CD2 4.36Å; I136-L150 HydrophobicContact CG2-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CB 3.34Å; K146-L150 WeakPolarHBondContact O-CG 3.23Å; K146-L150 PolarHBondContact O-N 3.32Å; Y147-L150 PolarHBondContact O-N 3.05Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.25Å; L150-Q153 WeakPolarHBondContact O-CB 3.26Å; L150-Q153 PolarHBondContact O-N 3.38Å; L150-Q153 VanDerWaalsContact O-N 3.15Å; L150-L169 HydrophobicContact CB-CD1 3.77Å; L150-L169 HydrophobicContact CB-CD2 4.26Å; L150-L169 HydrophobicContact CD1-CD1 4.48Å; L150-L169 HydrophobicContact CD2-CD1 4.32Å; L150-L169 HydrophobicContact CG-CD1 4.41Å |
| 151 | F | 98.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 174.1 | -177.3 | -92.3 | 0 | 0 | 0 | 111.6 | Y147 Q153 V154 A155 C161 L208 A210 F213 | Y147-F151 VanDerWaalsContact O-CB 3.29Å; Y147-F151 WeakPolarHBondContact O-CB 3.48Å; Y147-F151 PolarHBondContact O-N 2.99Å; F151-Q153 PolarHBondContact O-N 3.24Å; F151-V154 VanDerWaalsContact O-CG2 3.3Å; F151-V154 WeakPolarHBondContact O-CG2 3.49Å; F151-V154 PolarHBondContact O-N 3.09Å; F151-V154 VanDerWaalsContact O-N 3.07Å; F151-A155 HydrophobicContact CD1-CB 4.23Å; F151-A155 HydrophobicContact CE1-CB 3.96Å; F151-A155 WeakPolarHBondContact O-CB 3.35Å; F151-A155 PolarHBondContact O-N 2.89Å; F151-C161 HydrophobicContact CD2-CB 4.49Å; F151-C161 HydrophobicContact CE1-CB 4.31Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 VanDerWaalsContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.39Å; F151-L208 HydrophobicContact CE2-CB 4.37Å; F151-L208 HydrophobicContact CZ-CB 4.41Å; F151-A210 HydrophobicContact CD1-CB 3.74Å; F151-A210 HydrophobicContact CE1-CB 3.79Å; F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.91Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.58Å; F151-F213 HydrophobicContact CD2-CD1 3.58Å; F151-F213 HydrophobicContact CD2-CD2 4.01Å; F151-F213 HydrophobicContact CD2-CE1 4.25Å; F151-F213 AromaticContact CD2-CG 3.43Å; F151-F213 HydrophobicContact CD2-CG 3.43Å; F151-F213 VanDerWaalsContact CD2-CG 3.43Å; F151-F213 HydrophobicContact CE2-CB 3.62Å; F151-F213 HydrophobicContact CE2-CD1 4.49Å; F151-F213 HydrophobicContact CE2-CD2 4.49Å; F151-F213 AromaticContact CE2-CG 3.97Å; F151-F213 HydrophobicContact CE2-CG 3.97Å; F151-F213 HydrophobicContact CG-CB 4.42Å; F151-F213 AromaticContact CG-CD1 3.94Å; F151-F213 HydrophobicContact CG-CD1 3.94Å; F151-F213 HydrophobicContact CG-CG 4.24Å |
| 152 | R | 97.9 | Very high | 96.6 | Very high | 174 Ų | 174 | 52 Ų | 52 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.5 | -28.9 | 177.5 | -171.5 | -175 | -64.6 | 152.6 | -0.7 | 112.6 | R148 F149 L150 V154 | R148-R152 WeakPolarHBondContact O-CB 3.48Å; R148-R152 PolarHBondContact O-N 2.91Å; F149-R152 WeakPolarHBondContact O-CB 3.41Å; F149-R152 PolarHBondContact O-N 3.49Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.25Å; R152-V154 PolarHBondContact O-N 2.96Å |
| 153 | Q | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.4 | -23.1 | 177.5 | -61.9 | -46.1 | -62.4 | 0 | 0 | 113.3 | N73 L129 K132 F149 L150 F151 | N73-Q153 PolarHBondContact ND2-O 2.95Å; N73-Q153 PolarHBondContact ND2-OE1 3.28Å; N73-Q153 VanDerWaalsContact ND2-OE1 3.13Å; N73-Q153 PolarHBondContact OD1-OE1 3.31Å; L129-Q153 HydrophobicContact CD1-CB 3.67Å; K132-Q153 HydrophobicContact CD-CG 4.34Å; F149-Q153 HydrophobicContact CD1-CG 4.03Å; F149-Q153 HydrophobicContact CE1-CG 3.56Å; F149-Q153 HydrophobicContact CZ-CG 4.13Å; F149-Q153 WeakPolarHBondContact O-CG 3.49Å; F149-Q153 PolarHBondContact O-N 3.47Å; F149-Q153 VanDerWaalsContact O-N 3.16Å; L150-Q153 WeakPolarHBondContact O-CB 3.26Å; L150-Q153 PolarHBondContact O-N 3.38Å; L150-Q153 VanDerWaalsContact O-N 3.15Å; F151-Q153 PolarHBondContact O-N 3.24Å |
| 154 | V | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -110 | -20.6 | -179.2 | -64 | 0 | 0 | 0 | 0 | 113.6 | L129 F151 R152 R165 L168 L169 | L129-V154 HydrophobicContact CD1-CG1 3.96Å; L129-V154 HydrophobicContact CD2-CG1 3.98Å; F151-V154 VanDerWaalsContact O-CG2 3.3Å; F151-V154 WeakPolarHBondContact O-CG2 3.49Å; F151-V154 PolarHBondContact O-N 3.09Å; F151-V154 VanDerWaalsContact O-N 3.07Å; R152-V154 PolarHBondContact O-N 2.96Å; V154-R165 HydrophobicContact CB-CB 4.24Å; V154-R165 WeakPolarHBondContact CB-O 3.5Å; V154-R165 WeakPolarHBondContact O-CB 3.08Å; V154-R165 WeakPolarHBondContact O-CD 3.23Å; V154-R165 VanDerWaalsContact O-CG 3.27Å; V154-R165 WeakPolarHBondContact O-CG 3.5Å; V154-R165 PolarHBondContact O-NH1 3.03Å; V154-L168 HydrophobicContact CG1-CB 4.25Å; V154-L169 HydrophobicContact CG1-CB 3.89Å; V154-L169 HydrophobicContact CG2-CB 3.96Å; V154-L169 HydrophobicContact CG2-CD2 4.31Å |
| 155 | A | 97.3 | Very high | 97.2 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -58.9 | 154.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F151 F160 | F151-A155 HydrophobicContact CD1-CB 4.23Å; F151-A155 HydrophobicContact CE1-CB 3.96Å; F151-A155 WeakPolarHBondContact O-CB 3.35Å; F151-A155 PolarHBondContact O-N 2.89Å; A155-F160 CarbonylContact C-O 3.6Å; A155-F160 WeakPolarHBondContact CA-O 3.45Å |
| 156 | S | 95.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | trans | -67.5 | 170.5 | 171.2 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | T158 G159 F160 | S156-T158 PolarHBondContact O-N 3.44Å; S156-T158 VanDerWaalsContact O-N 3.14Å; S156-T158 PolarHBondContact OG-N 3.48Å; S156-T158 PolarHBondContact OG-OG1 3.03Å; S156-G159 PolarHBondContact O-N 3.24Å; S156-G159 PolarHBondContact OG-N 3.35Å; S156-F160 PolarHBondContact N-O 3.02Å; S156-F160 PolarHBondContact OG-N 3.34Å; S156-F160 VanDerWaalsContact OG-N 3.15Å; S156-F160 PolarHBondContact OG-O 3.33Å | ||
| 157 | A | 91.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 99% | 0.992 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G159 | A157-G159 VanDerWaalsContact C-N 3.34Š|
| 158 | T | 93.9 | Very high | 97.3 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 65% | 0.65 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -0.3 | 176 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | S156 | S156-T158 PolarHBondContact O-N 3.44Å; S156-T158 VanDerWaalsContact O-N 3.14Å; S156-T158 PolarHBondContact OG-N 3.48Å; S156-T158 PolarHBondContact OG-OG1 3.03Å |
| 159 | G | 94.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 87 | 8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S156 A157 | S156-G159 PolarHBondContact O-N 3.24Å; S156-G159 PolarHBondContact OG-N 3.35Å; A157-G159 VanDerWaalsContact C-N 3.34Å |
| 160 | F | 97.3 | Very high | 97.3 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 32% | 0.316 | 26% | 0.255 | S | S | . | . | trans | -98.9 | 148.9 | -179.1 | -67.5 | -76.9 | 0 | 0 | 0 | 112.3 | A155 S156 E207 L208 E209 | A155-F160 CarbonylContact C-O 3.6Å; A155-F160 WeakPolarHBondContact CA-O 3.45Å; S156-F160 PolarHBondContact N-O 3.02Å; S156-F160 PolarHBondContact OG-N 3.34Å; S156-F160 VanDerWaalsContact OG-N 3.15Å; S156-F160 PolarHBondContact OG-O 3.33Å; F160-E207 HydrophobicContact CB-CB 4.04Å; F160-E207 HydrophobicContact CB-CG 4.46Å; F160-E207 HydrophobicContact CD1-CB 4.25Å; F160-E207 HydrophobicContact CG-CB 4.49Å; F160-L208 CarbonylContact C-O 3.1Å; F160-L208 WeakPolarHBondContact CA-O 3.08Å; F160-E209 HydrophobicContact CD1-CG 3.94Å; F160-E209 HydrophobicContact CE1-CG 3.56Å; F160-E209 HydrophobicContact CZ-CG 4.5Å | ||
| 161 | C | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -130.9 | 115.1 | -177.3 | -171 | 0 | 0 | 0 | 0 | 110.8 | F151 R165 L166 E207 L208 | F151-C161 HydrophobicContact CD2-CB 4.49Å; F151-C161 HydrophobicContact CE1-CB 4.31Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 VanDerWaalsContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.39Å; C161-R165 WeakPolarHBondContact SG-CB 3.03Å; C161-L166 PolarHBondContact SG-N 2.87Å; C161-L166 VanDerWaalsContact SG-N 3.39Å; C161-E207 WeakPolarHBondContact O-CA 3.36Å; C161-L208 HydrophobicContact CB-CB 4.37Å; C161-L208 PolarHBondContact N-O 2.95Å; C161-L208 PolarHBondContact O-N 3.44Å |
| 162 | D | 98.2 | Very high | 97.3 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | trans | -79.4 | 175.3 | 173.2 | 68 | 23.7 | 0 | 0 | 0 | 112 | R164 R165 L166 | D162-R164 VanDerWaalsContact C-N 3.27Å; D162-R164 PolarHBondContact O-N 3.23Å; D162-R164 WeakPolarHBondContact OD1-CB 3.34Å; D162-R164 PolarHBondContact OD1-N 3.35Å; D162-R164 VanDerWaalsContact OD1-N 3.07Å; D162-R165 PolarHBondContact O-N 3.49Å; D162-R165 WeakPolarHBondContact OD1-CB 3.41Å; D162-R165 VanDerWaalsContact OD1-CG 3.25Å; D162-R165 WeakPolarHBondContact OD1-CG 3.25Å; D162-R165 PolarHBondContact OD1-N 2.78Å; D162-R165 IonicContact OD2-NE 3.54Å; D162-L166 PolarHBondContact O-N 3.09Å | ||
| 163 | Q | 98.4 | Very high | 97.3 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -37.8 | -179.7 | -71.7 | -172.1 | 41.7 | 0 | 0 | 112.9 | G167 V195 F199 | Q163-G167 PolarHBondContact O-N 2.89Å; Q163-V195 HydrophobicContact CB-CG1 3.75Å; Q163-V195 HydrophobicContact CG-CG1 3.95Å; Q163-F199 HydrophobicContact CB-CE2 4.14Å; Q163-F199 HydrophobicContact CB-CZ 4.22Å; Q163-F199 HydrophobicContact CG-CD1 3.67Å; Q163-F199 HydrophobicContact CG-CD2 3.59Å; Q163-F199 HydrophobicContact CG-CE1 3.64Å; Q163-F199 HydrophobicContact CG-CE2 3.54Å; Q163-F199 HydrophobicContact CG-CG 3.66Å; Q163-F199 HydrophobicContact CG-CZ 3.58Å |
| 164 | R | 97.8 | Very high | 97.3 | Very high | 136 Ų | 136 | 41.7 Ų | 41.7 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -46.1 | -178.8 | -177.6 | -171.3 | 64.9 | 89.3 | 1.8 | 110.7 | D162 G167 L168 | D162-R164 VanDerWaalsContact C-N 3.27Å; D162-R164 PolarHBondContact O-N 3.23Å; D162-R164 WeakPolarHBondContact OD1-CB 3.34Å; D162-R164 PolarHBondContact OD1-N 3.35Å; D162-R164 VanDerWaalsContact OD1-N 3.07Å; R164-G167 WeakPolarHBondContact O-CA 3.47Å; R164-G167 PolarHBondContact O-N 2.94Å; R164-L168 PolarHBondContact O-N 3.46Å |
| 165 | R | 98.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 42.5 Ų | 42.5 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.3 | -73.2 | 168.2 | 179.1 | -76.6 | -1.4 | 111.6 | V154 C161 D162 G167 L168 L169 | V154-R165 HydrophobicContact CB-CB 4.24Å; V154-R165 WeakPolarHBondContact CB-O 3.5Å; V154-R165 WeakPolarHBondContact O-CB 3.08Å; V154-R165 WeakPolarHBondContact O-CD 3.23Å; V154-R165 VanDerWaalsContact O-CG 3.27Å; V154-R165 WeakPolarHBondContact O-CG 3.5Å; V154-R165 PolarHBondContact O-NH1 3.03Å; C161-R165 WeakPolarHBondContact SG-CB 3.03Å; D162-R165 PolarHBondContact O-N 3.49Å; D162-R165 WeakPolarHBondContact OD1-CB 3.41Å; D162-R165 VanDerWaalsContact OD1-CG 3.25Å; D162-R165 WeakPolarHBondContact OD1-CG 3.25Å; D162-R165 PolarHBondContact OD1-N 2.78Å; D162-R165 IonicContact OD2-NE 3.54Å; R165-G167 VanDerWaalsContact C-N 3.26Å; R165-G167 PolarHBondContact O-N 2.88Å; R165-L168 WeakPolarHBondContact O-CB 3.38Å; R165-L168 PolarHBondContact O-N 3.27Å; R165-L169 PolarHBondContact O-N 3.36Å |
| 166 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 172.5 | -179.6 | 62.3 | 0 | 0 | 0 | 110.8 | C161 D162 L168 L169 L170 V195 C198 F199 L208 F213 | C161-L166 PolarHBondContact SG-N 2.87Å; C161-L166 VanDerWaalsContact SG-N 3.39Å; D162-L166 PolarHBondContact O-N 3.09Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.46Å; L166-L169 PolarHBondContact O-N 3.16Å; L166-L169 VanDerWaalsContact O-N 3.17Å; L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CD2-CD1 4.47Å; L166-L170 HydrophobicContact CG-CD1 4.09Å; L166-L170 HydrophobicContact CG-CG 4.25Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.38Å; L166-V195 HydrophobicContact CD2-CG1 4.38Å; L166-V195 HydrophobicContact CG-CG2 4.38Å; L166-C198 HydrophobicContact CD2-CB 3.62Å; L166-F199 HydrophobicContact CB-CE2 4.24Å; L166-F199 HydrophobicContact CD2-CD2 4.09Å; L166-F199 HydrophobicContact CD2-CE2 3.76Å; L166-L208 HydrophobicContact CD2-CD1 3.94Å; L166-F213 HydrophobicContact CD1-CD2 4.03Å; L166-F213 HydrophobicContact CD1-CE2 3.88Å |
| 167 | G | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q163 R164 R165 L169 L170 H171 | Q163-G167 PolarHBondContact O-N 2.89Å; R164-G167 WeakPolarHBondContact O-CA 3.47Å; R164-G167 PolarHBondContact O-N 2.94Å; R165-G167 VanDerWaalsContact C-N 3.26Å; R165-G167 PolarHBondContact O-N 2.88Å; G167-L169 PolarHBondContact O-N 2.91Å; G167-L170 PolarHBondContact O-N 3.26Å; G167-H171 WeakPolarHBondContact O-CB 3.34Å; G167-H171 PolarHBondContact O-N 2.83Å |
| 168 | L | 98.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.3 | -65.3 | 173 | 0 | 0 | 0 | 112.1 | L129 V154 R164 R165 L166 D172 | L129-L168 HydrophobicContact CD2-CB 4Å; V154-L168 HydrophobicContact CG1-CB 4.25Å; R164-L168 PolarHBondContact O-N 3.46Å; R165-L168 WeakPolarHBondContact O-CB 3.38Å; R165-L168 PolarHBondContact O-N 3.27Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.46Å; L168-D172 PolarHBondContact O-N 3.14Å; L168-D172 VanDerWaalsContact O-N 3.11Å |
| 169 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 179 | 172.1 | 58.5 | 0 | 0 | 0 | 111.8 | L150 V154 R165 L166 G167 H171 D172 S173 F213 | L150-L169 HydrophobicContact CB-CD1 3.77Å; L150-L169 HydrophobicContact CB-CD2 4.26Å; L150-L169 HydrophobicContact CD1-CD1 4.48Å; L150-L169 HydrophobicContact CD2-CD1 4.32Å; L150-L169 HydrophobicContact CG-CD1 4.41Å; V154-L169 HydrophobicContact CG1-CB 3.89Å; V154-L169 HydrophobicContact CG2-CB 3.96Å; V154-L169 HydrophobicContact CG2-CD2 4.31Å; R165-L169 PolarHBondContact O-N 3.36Å; L166-L169 PolarHBondContact O-N 3.16Å; L166-L169 VanDerWaalsContact O-N 3.17Å; G167-L169 PolarHBondContact O-N 2.91Å; L169-H171 VanDerWaalsContact C-N 3.32Å; L169-H171 PolarHBondContact O-N 2.94Å; L169-D172 PolarHBondContact O-N 3.12Å; L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.2Å; L169-S173 PolarHBondContact O-N 3.32Å; L169-S173 PolarHBondContact O-OG 3.49Å; L169-F213 HydrophobicContact CD2-CE2 4.27Å; L169-F213 HydrophobicContact CD2-CZ 3.89Å |
| 170 | L | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | -179.5 | -65.2 | -174.6 | 0 | 0 | 0 | 111.4 | L166 G167 S173 I174 I191 V195 W216 M224 | L166-L170 HydrophobicContact CD1-CD1 4.38Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CD2-CD1 4.47Å; L166-L170 HydrophobicContact CG-CD1 4.09Å; L166-L170 HydrophobicContact CG-CG 4.25Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.38Å; G167-L170 PolarHBondContact O-N 3.26Å; L170-S173 PolarHBondContact O-N 3.24Å; L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 WeakPolarHBondContact O-CG2 3.42Å; L170-I174 PolarHBondContact O-N 3.36Å; L170-I191 HydrophobicContact CB-CB 4.06Å; L170-I191 HydrophobicContact CB-CG2 4.18Å; L170-V195 HydrophobicContact CD1-CG2 3.87Å; L170-W216 HydrophobicContact CD1-CH2 4.16Å; L170-W216 HydrophobicContact CD2-CH2 4.3Å; L170-W216 HydrophobicContact CD2-CZ3 4.3Å; L170-M224 HydrophobicContact CD2-CG 3.77Å; L170-M224 HydrophobicContact CD2-SD 3.79Å |
| 171 | H | 98.2 | Very high | 97.9 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 37% | 0.366 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.9 | -45 | 175.7 | 177.9 | -79.9 | 0 | 0 | 0 | 111.9 | G167 L169 I174 Q175 I191 | G167-H171 WeakPolarHBondContact O-CB 3.34Å; G167-H171 PolarHBondContact O-N 2.83Å; L169-H171 VanDerWaalsContact C-N 3.32Å; L169-H171 PolarHBondContact O-N 2.94Å; H171-I174 WeakPolarHBondContact O-CG2 3.38Å; H171-Q175 WeakPolarHBondContact O-CG 3.35Å; H171-Q175 PolarHBondContact O-NE2 2.85Å; H171-I191 HydrophobicContact CB-CG1 4.29Å |
| 172 | D | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.4 | -40.5 | 177.4 | -81.6 | 0.9 | 0 | 0 | 0 | 111.4 | Y118 R127 L129 S130 T133 L168 L169 I174 Q175 | Y118-D172 HydrophobicContact CE1-CB 4.17Å; Y118-D172 WeakPolarHBondContact CE1-O 3.43Å; Y118-D172 PolarHBondContact OH-O 2.99Å; R127-D172 IonicContact CZ-OD1 2.66Å; R127-D172 IonicContact NH2-OD1 3.64Å; R127-D172 PolarHBondContact NH2-OD1 3.41Å; R127-D172 IonicContact NH2-OD2 3.97Å; L129-D172 WeakPolarHBondContact CG-OD2 3.31Å; S130-D172 WeakPolarHBondContact CA-OD2 3.22Å; S130-D172 WeakPolarHBondContact CB-OD2 3.3Å; S130-D172 PolarHBondContact N-OD2 3.18Å; S130-D172 VanDerWaalsContact OG-CG 3.23Å; S130-D172 PolarHBondContact OG-OD1 3.07Å; S130-D172 PolarHBondContact OG-OD2 3.25Å; T133-D172 HydrophobicContact CG2-CB 4.01Å; L168-D172 PolarHBondContact O-N 3.14Å; L168-D172 VanDerWaalsContact O-N 3.11Å; L169-D172 PolarHBondContact O-N 3.12Å; D172-I174 VanDerWaalsContact C-N 3.35Å; D172-I174 PolarHBondContact O-N 3.43Å; D172-Q175 WeakPolarHBondContact O-CB 3.34Å; D172-Q175 PolarHBondContact O-N 3.36Å |
| 173 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | L169 L170 Q175 I176 P177 M224 W226 | L169-S173 VanDerWaalsContact O-CB 3.3Å; L169-S173 WeakPolarHBondContact O-CB 3.2Å; L169-S173 PolarHBondContact O-N 3.32Å; L169-S173 PolarHBondContact O-OG 3.49Å; L170-S173 PolarHBondContact O-N 3.24Å; S173-Q175 VanDerWaalsContact C-N 3.26Å; S173-Q175 PolarHBondContact O-N 2.97Å; S173-I176 PolarHBondContact O-N 3.41Å; S173-P177 WeakPolarHBondContact O-CD 3.48Å; S173-M224 WeakPolarHBondContact CB-SD 3.49Å; S173-W226 WeakPolarHBondContact O-CZ2 3.42Å |
| 174 | I | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.5 | -17.5 | -178.3 | -157.8 | 67.3 | 0 | 0 | 0 | 113 | L170 H171 D172 I176 P177 R178 V183 F186 I191 | L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 WeakPolarHBondContact O-CG2 3.42Å; L170-I174 PolarHBondContact O-N 3.36Å; H171-I174 WeakPolarHBondContact O-CG2 3.38Å; D172-I174 VanDerWaalsContact C-N 3.35Å; D172-I174 PolarHBondContact O-N 3.43Å; I174-I176 PolarHBondContact O-N 3.27Å; I174-P177 HydrophobicContact CD1-CG 4.02Å; I174-P177 VanDerWaalsContact O-CD 3.29Å; I174-P177 WeakPolarHBondContact O-CD 3.41Å; I174-P177 WeakPolarHBondContact O-CG 3.48Å; I174-R178 VanDerWaalsContact O-CB 3.28Å; I174-R178 WeakPolarHBondContact O-CB 3.34Å; I174-R178 PolarHBondContact O-N 3.45Å; I174-R178 VanDerWaalsContact O-N 3.13Å; I174-V183 HydrophobicContact CD1-CG2 4.34Å; I174-V183 HydrophobicContact CG1-CG2 3.84Å; I174-F186 HydrophobicContact CD1-CB 3.62Å; I174-I191 HydrophobicContact CB-CG2 4.31Å; I174-I191 HydrophobicContact CG2-CG2 3.78Å |
| 175 | Q | 98.4 | Very high | 97 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -30.9 | 176.1 | -58 | -45.4 | -51.5 | 0 | 0 | 112.1 | V117 Y118 H171 D172 S173 R178 Q179 | V117-Q175 HydrophobicContact CG1-CB 3.55Å; Y118-Q175 HydrophobicContact CD1-CB 4.11Å; Y118-Q175 HydrophobicContact CD1-CG 4.12Å; Y118-Q175 HydrophobicContact CE1-CB 3.87Å; Y118-Q175 HydrophobicContact CE1-CG 4.1Å; H171-Q175 WeakPolarHBondContact O-CG 3.35Å; H171-Q175 PolarHBondContact O-NE2 2.85Å; D172-Q175 WeakPolarHBondContact O-CB 3.34Å; D172-Q175 PolarHBondContact O-N 3.36Å; S173-Q175 VanDerWaalsContact C-N 3.26Å; S173-Q175 PolarHBondContact O-N 2.97Å; Q175-R178 WeakPolarHBondContact O-CB 3.44Å; Q175-R178 PolarHBondContact O-N 2.75Å; Q175-Q179 WeakPolarHBondContact O-CB 3.15Å; Q175-Q179 PolarHBondContact O-N 3.31Å |
| 176 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.4 | -58.3 | -179 | -63.9 | 168.1 | 0 | 0 | 0 | 111.3 | L44 W113 V117 S173 I174 R178 Q179 W226 | L44-I176 HydrophobicContact CD1-CG2 4.16Å; L44-I176 HydrophobicContact CD2-CG2 3.49Å; L44-I176 VanDerWaalsContact CD2-CG2 3.49Å; L44-I176 HydrophobicContact CG-CG2 4.49Å; W113-I176 HydrophobicContact CZ2-CG1 4.44Å; V117-I176 HydrophobicContact CG1-CG1 4.13Å; S173-I176 PolarHBondContact O-N 3.41Å; I174-I176 PolarHBondContact O-N 3.27Å; I176-R178 VanDerWaalsContact C-N 3.27Å; I176-R178 PolarHBondContact O-N 3.41Å; I176-Q179 PolarHBondContact O-N 2.92Å; I176-W226 HydrophobicContact CB-CH2 4.32Å; I176-W226 HydrophobicContact CB-CZ2 4.49Å; I176-W226 HydrophobicContact CD1-CH2 3.68Å; I176-W226 HydrophobicContact CD1-CZ2 4.27Å; I176-W226 HydrophobicContact CD1-CZ3 4.44Å; I176-W226 HydrophobicContact CG2-CH2 4.3Å; I176-W226 HydrophobicContact CG2-CZ3 4.26Å |
| 177 | P | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -25 | 174.3 | 27.3 | -35.7 | 0 | 0 | 0 | 113.2 | T40 S173 I174 L180 G181 E182 F186 W226 | T40-P177 HydrophobicContact CG2-CB 3.97Å; S173-P177 WeakPolarHBondContact O-CD 3.48Å; I174-P177 HydrophobicContact CD1-CG 4.02Å; I174-P177 VanDerWaalsContact O-CD 3.29Å; I174-P177 WeakPolarHBondContact O-CD 3.41Å; I174-P177 WeakPolarHBondContact O-CG 3.48Å; P177-L180 PolarHBondContact O-N 3.13Å; P177-G181 PolarHBondContact O-N 2.98Å; P177-E182 PolarHBondContact O-N 3.37Å; P177-F186 HydrophobicContact CB-CD2 3.65Å; P177-F186 HydrophobicContact CB-CE2 3.73Å; P177-F186 HydrophobicContact CB-CG 4.46Å; P177-F186 HydrophobicContact CG-CD2 4.13Å; P177-W226 HydrophobicContact CG-CG 4.44Å |
| 178 | R | 97.1 | Very high | 95.9 | Very high | 107 Ų | 107 | 29.2 Ų | 29.2 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 173.4 | -176.6 | -178.4 | -178.9 | -86.9 | -3.6 | 112.4 | I174 Q175 I176 L180 G181 V183 | I174-R178 VanDerWaalsContact O-CB 3.28Å; I174-R178 WeakPolarHBondContact O-CB 3.34Å; I174-R178 PolarHBondContact O-N 3.45Å; I174-R178 VanDerWaalsContact O-N 3.13Å; Q175-R178 WeakPolarHBondContact O-CB 3.44Å; Q175-R178 PolarHBondContact O-N 2.75Å; I176-R178 VanDerWaalsContact C-N 3.27Å; I176-R178 PolarHBondContact O-N 3.41Å; R178-L180 PolarHBondContact O-N 3.48Å; R178-G181 PolarHBondContact O-N 3.08Å; R178-V183 HydrophobicContact CB-CB 3.88Å; R178-V183 HydrophobicContact CB-CG1 4.33Å; R178-V183 HydrophobicContact CB-CG2 4.21Å; R178-V183 HydrophobicContact CG-CB 4.19Å; R178-V183 HydrophobicContact CG-CG1 4.09Å |
| 179 | Q | 96.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -30.2 | 177.8 | -168.2 | -75.8 | -32.4 | 0 | 0 | 111.7 | Y24 N116 V117 Q175 I176 G181 | Y24-Q179 VanDerWaalsContact OH-CD 3.29Å; Y24-Q179 PolarHBondContact OH-NE2 3.12Å; Y24-Q179 PolarHBondContact OH-OE1 3.39Å; N116-Q179 HydrophobicContact CB-CG 4.05Å; V117-Q179 HydrophobicContact CG2-CB 3.84Å; V117-Q179 HydrophobicContact CG2-CG 3.82Å; Q175-Q179 WeakPolarHBondContact O-CB 3.15Å; Q175-Q179 PolarHBondContact O-N 3.31Å; I176-Q179 PolarHBondContact O-N 2.92Å; Q179-G181 VanDerWaalsContact C-N 3.28Å; Q179-G181 PolarHBondContact O-N 3.22Å |
| 180 | L | 96.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | 174.1 | -62.1 | -179 | 0 | 0 | 0 | 114.6 | Y24 L27 T40 K43 L44 P177 R178 E182 | Y24-L180 HydrophobicContact CE1-CD2 4.06Å; L27-L180 HydrophobicContact CD1-CD2 3.73Å; T40-L180 HydrophobicContact CG2-CD1 4.22Å; K43-L180 HydrophobicContact CB-CD1 3.91Å; L44-L180 HydrophobicContact CD2-CD1 3.58Å; L44-L180 HydrophobicContact CG-CD1 3.69Å; P177-L180 PolarHBondContact O-N 3.13Å; R178-L180 PolarHBondContact O-N 3.48Å; L180-E182 VanDerWaalsContact C-N 3.31Å; L180-E182 HydrophobicContact CB-CG 4.21Å; L180-E182 PolarHBondContact O-N 3.29Å |
| 181 | G | 95.4 | Very high | 95 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 16.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P177 R178 Q179 | P177-G181 PolarHBondContact O-N 2.98Å; R178-G181 PolarHBondContact O-N 3.08Å; Q179-G181 VanDerWaalsContact C-N 3.28Å; Q179-G181 PolarHBondContact O-N 3.22Å |
| 182 | E | 95.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | trans | -105.9 | 1 | -172.1 | -62 | -78.6 | -176.7 | 0 | 0 | 113.3 | R39 T40 K43 P177 L180 A184 S185 F186 | R39-E182 WeakPolarHBondContact CD-OE1 3.37Å; R39-E182 IonicContact CZ-OE1 2.72Å; R39-E182 IonicContact CZ-OE2 3.53Å; R39-E182 IonicContact NE-OE1 3.38Å; R39-E182 PolarHBondContact NE-OE1 2.94Å; R39-E182 IonicContact NE-OE2 3.84Å; R39-E182 PolarHBondContact NE-OE2 3.27Å; R39-E182 IonicContact NH2-OE1 3.76Å; R39-E182 IonicContact NH2-OE2 2.64Å; R39-E182 PolarHBondContact NH2-OE2 2.71Å; T40-E182 HydrophobicContact CG2-CB 4.3Å; T40-E182 HydrophobicContact CG2-CG 4.48Å; T40-E182 WeakPolarHBondContact OG1-CB 3.35Å; T40-E182 WeakPolarHBondContact OG1-CG 3.45Å; K43-E182 IonicContact NZ-OE1 3.73Å; K43-E182 PolarHBondContact NZ-OE1 3.02Å; P177-E182 PolarHBondContact O-N 3.37Å; L180-E182 VanDerWaalsContact C-N 3.31Å; L180-E182 HydrophobicContact CB-CG 4.21Å; L180-E182 PolarHBondContact O-N 3.29Å; E182-A184 PolarHBondContact O-N 3.42Å; E182-A184 VanDerWaalsContact O-N 3.1Å; E182-S185 WeakPolarHBondContact O-CB 3.39Å; E182-S185 PolarHBondContact O-N 3.32Å; E182-F186 HydrophobicContact CB-CD2 4.44Å; E182-F186 HydrophobicContact CB-CE2 3.85Å; E182-F186 WeakPolarHBondContact O-CD2 3.4Å; E182-F186 WeakPolarHBondContact O-CE2 3.24Å | ||
| 183 | V | 94.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -56.2 | -31.2 | -171.8 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | I174 R178 S185 F186 G188 | I174-V183 HydrophobicContact CD1-CG2 4.34Å; I174-V183 HydrophobicContact CG1-CG2 3.84Å; R178-V183 HydrophobicContact CB-CB 3.88Å; R178-V183 HydrophobicContact CB-CG1 4.33Å; R178-V183 HydrophobicContact CB-CG2 4.21Å; R178-V183 HydrophobicContact CG-CB 4.19Å; R178-V183 HydrophobicContact CG-CG1 4.09Å; V183-S185 PolarHBondContact O-N 3.13Å; V183-F186 PolarHBondContact O-N 3.03Å; V183-G188 VanDerWaalsContact CG2-C 3.43Å; V183-G188 WeakPolarHBondContact CG2-O 3.28Å; V183-G188 PolarHBondContact O-N 3.16Å; V183-G188 VanDerWaalsContact O-N 3.12Å |
| 184 | A | 91.8 | Very high | 94.7 | Very high | 85 Ų | 85 | 39.4 Ų | 39.4 | 70% | 0.702 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58.8 | -29.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E182 F186 | E182-A184 PolarHBondContact O-N 3.42Å; E182-A184 VanDerWaalsContact O-N 3.1Å; A184-F186 VanDerWaalsContact C-N 3.25Å; A184-F186 PolarHBondContact O-N 2.65Å |
| 185 | S | 90.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -76.4 | -9.4 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | S36 E182 V183 Q222 | S36-S185 VanDerWaalsContact CB-CB 3.42Å; S36-S185 WeakPolarHBondContact CB-OG 3.37Å; S36-S185 WeakPolarHBondContact OG-CB 3.35Å; S36-S185 PolarHBondContact OG-OG 2.91Å; E182-S185 WeakPolarHBondContact O-CB 3.39Å; E182-S185 PolarHBondContact O-N 3.32Å; V183-S185 PolarHBondContact O-N 3.13Å; S185-Q222 PolarHBondContact O-NE2 3.26Å |
| 186 | F | 93.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -117.8 | 25.6 | -173 | -59.7 | -74.4 | 0 | 0 | 0 | 112.7 | T40 I174 P177 E182 V183 A184 Q222 S223 V225 W226 | T40-F186 HydrophobicContact CG2-CE2 3.76Å; T40-F186 HydrophobicContact CG2-CZ 3.77Å; T40-F186 VanDerWaalsContact OG1-CE2 3.29Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.17Å; T40-F186 VanDerWaalsContact OG1-CZ 3.3Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.28Å; I174-F186 HydrophobicContact CD1-CB 3.62Å; P177-F186 HydrophobicContact CB-CD2 3.65Å; P177-F186 HydrophobicContact CB-CE2 3.73Å; P177-F186 HydrophobicContact CB-CG 4.46Å; P177-F186 HydrophobicContact CG-CD2 4.13Å; E182-F186 HydrophobicContact CB-CD2 4.44Å; E182-F186 HydrophobicContact CB-CE2 3.85Å; E182-F186 WeakPolarHBondContact O-CD2 3.4Å; E182-F186 WeakPolarHBondContact O-CE2 3.24Å; V183-F186 PolarHBondContact O-N 3.03Å; A184-F186 VanDerWaalsContact C-N 3.25Å; A184-F186 PolarHBondContact O-N 2.65Å; F186-Q222 WeakPolarHBondContact CA-O 3.33Å; F186-Q222 VanDerWaalsContact CD1-O 3.29Å; F186-Q222 WeakPolarHBondContact CD1-O 3.25Å; F186-S223 WeakPolarHBondContact O-CA 3.27Å; F186-V225 HydrophobicContact CD1-CG1 3.89Å; F186-V225 HydrophobicContact CE1-CG1 3.8Å; F186-W226 HydrophobicContact CD1-CB 4.34Å; F186-W226 AromaticContact CD1-CD1 3.97Å; F186-W226 HydrophobicContact CE1-CB 3.63Å; F186-W226 HydrophobicContact CE1-CG 4.3Å; F186-W226 HydrophobicContact CZ-CB 3.81Å |
| 187 | G | 87.8 | Confident | 94.7 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 4.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 188 | G | 90.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | trans | 82.1 | -175.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V183 N190 | V183-G188 VanDerWaalsContact CG2-C 3.43Å; V183-G188 WeakPolarHBondContact CG2-O 3.28Å; V183-G188 PolarHBondContact O-N 3.16Å; V183-G188 VanDerWaalsContact O-N 3.12Å; G188-N190 VanDerWaalsContact C-N 3.32Å | ||
| 189 | S | 88.9 | Confident | 94.7 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -79.5 | -15.3 | -177.7 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 190 | N | 93.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 46 Ų | 46 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -81.2 | 117.5 | 175.7 | -179.7 | -24.4 | 0 | 0 | 0 | 109 | G188 E192 P193 | G188-N190 VanDerWaalsContact C-N 3.32Å; N190-E192 VanDerWaalsContact OD1-CB 3.3Å; N190-E192 WeakPolarHBondContact OD1-CB 3.45Å; N190-E192 PolarHBondContact OD1-N 3.43Å; N190-E192 VanDerWaalsContact OD1-N 3.07Å; N190-E192 PolarHBondContact OD1-OE2 3.29Å; N190-P193 WeakPolarHBondContact OD1-CD 3.47Å | ||
| 191 | I | 95 | Very high | 94.5 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | trans | -95 | -10 | -173.4 | 55 | 71.9 | 0 | 0 | 0 | 112.6 | L170 H171 I174 S194 V195 | L170-I191 HydrophobicContact CB-CB 4.06Å; L170-I191 HydrophobicContact CB-CG2 4.18Å; H171-I191 HydrophobicContact CB-CG1 4.29Å; I174-I191 HydrophobicContact CB-CG2 4.31Å; I174-I191 HydrophobicContact CG2-CG2 3.78Å; I191-S194 WeakPolarHBondContact O-CA 3.22Å; I191-S194 WeakPolarHBondContact O-CB 3.29Å; I191-S194 PolarHBondContact O-N 3.13Å; I191-V195 HydrophobicContact CD1-CG2 3.72Å; I191-V195 PolarHBondContact O-N 2.92Å | ||
| 192 | E | 96.5 | Very high | 94.5 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | -172 | -70.4 | 81.3 | 145.5 | 0 | 0 | 112.7 | N190 S194 V195 R196 | N190-E192 VanDerWaalsContact OD1-CB 3.3Å; N190-E192 WeakPolarHBondContact OD1-CB 3.45Å; N190-E192 PolarHBondContact OD1-N 3.43Å; N190-E192 VanDerWaalsContact OD1-N 3.07Å; N190-E192 PolarHBondContact OD1-OE2 3.29Å; E192-S194 VanDerWaalsContact C-N 3.3Å; E192-S194 PolarHBondContact O-N 3.43Å; E192-V195 PolarHBondContact O-N 3.03Å; E192-R196 WeakPolarHBondContact O-CG 3.26Å; E192-R196 PolarHBondContact O-N 3.14Å |
| 193 | P | 96.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 170 | -24.3 | 34 | 0 | 0 | 0 | 113.2 | N190 R196 S197 | N190-P193 WeakPolarHBondContact OD1-CD 3.47Å; P193-R196 PolarHBondContact O-N 2.67Å; P193-S197 WeakPolarHBondContact O-CB 3.2Å; P193-S197 PolarHBondContact O-N 3.19Å |
| 194 | S | 96.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 12% | 0.119 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.1 | -39.8 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | I191 E192 S197 C198 W216 S223 | I191-S194 WeakPolarHBondContact O-CA 3.22Å; I191-S194 WeakPolarHBondContact O-CB 3.29Å; I191-S194 PolarHBondContact O-N 3.13Å; E192-S194 VanDerWaalsContact C-N 3.3Å; E192-S194 PolarHBondContact O-N 3.43Å; S194-S197 PolarHBondContact O-N 3.31Å; S194-C198 PolarHBondContact O-N 2.66Å; S194-W216 WeakPolarHBondContact O-CZ2 3.43Å; S194-S223 VanDerWaalsContact CB-OG 3.31Å; S194-S223 WeakPolarHBondContact CB-OG 3.43Å; S194-S223 VanDerWaalsContact OG-CB 3.27Å; S194-S223 WeakPolarHBondContact OG-CB 3.33Å; S194-S223 PolarHBondContact OG-OG 2.85Å |
| 195 | V | 98.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 172.7 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | Q163 L166 L170 I191 E192 S197 C198 F199 | Q163-V195 HydrophobicContact CB-CG1 3.75Å; Q163-V195 HydrophobicContact CG-CG1 3.95Å; L166-V195 HydrophobicContact CD2-CG1 4.38Å; L166-V195 HydrophobicContact CG-CG2 4.38Å; L170-V195 HydrophobicContact CD1-CG2 3.87Å; I191-V195 HydrophobicContact CD1-CG2 3.72Å; I191-V195 PolarHBondContact O-N 2.92Å; E192-V195 PolarHBondContact O-N 3.03Å; V195-S197 VanDerWaalsContact C-N 3.3Å; V195-S197 PolarHBondContact O-N 2.94Å; V195-C198 WeakPolarHBondContact O-CB 3.34Å; V195-C198 PolarHBondContact O-N 2.88Å; V195-C198 VanDerWaalsContact O-N 3.16Å; V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 4.26Å; V195-F199 WeakPolarHBondContact O-CD2 3.34Å; V195-F199 PolarHBondContact O-N 2.88Å |
| 196 | R | 97.6 | Very high | 94.9 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 48% | 0.475 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 177.4 | -71.8 | -168.5 | -58.1 | -88.2 | 3 | 112 | E192 P193 C198 F199 Q200 | E192-R196 WeakPolarHBondContact O-CG 3.26Å; E192-R196 PolarHBondContact O-N 3.14Å; P193-R196 PolarHBondContact O-N 2.67Å; R196-C198 VanDerWaalsContact C-N 3.34Å; R196-C198 PolarHBondContact O-N 3.41Å; R196-F199 PolarHBondContact O-N 3.33Å; R196-Q200 WeakPolarHBondContact O-CB 3.45Å; R196-Q200 VanDerWaalsContact O-CG 3.24Å; R196-Q200 WeakPolarHBondContact O-CG 3.49Å; R196-Q200 PolarHBondContact O-N 3.23Å |
| 197 | S | 97.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | P193 S194 V195 Q200 F201 | P193-S197 WeakPolarHBondContact O-CB 3.2Å; P193-S197 PolarHBondContact O-N 3.19Å; S194-S197 PolarHBondContact O-N 3.31Å; V195-S197 VanDerWaalsContact C-N 3.3Å; V195-S197 PolarHBondContact O-N 2.94Å; S197-Q200 PolarHBondContact O-N 2.92Å; S197-F201 WeakPolarHBondContact O-CB 3.21Å; S197-F201 PolarHBondContact O-N 3.39Å |
| 198 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.3 | -170.9 | 0 | 0 | 0 | 0 | 111.9 | L166 S194 V195 R196 F201 A202 W216 | L166-C198 HydrophobicContact CD2-CB 3.62Å; S194-C198 PolarHBondContact O-N 2.66Å; V195-C198 WeakPolarHBondContact O-CB 3.34Å; V195-C198 PolarHBondContact O-N 2.88Å; V195-C198 VanDerWaalsContact O-N 3.16Å; R196-C198 VanDerWaalsContact C-N 3.34Å; R196-C198 PolarHBondContact O-N 3.41Å; C198-F201 WeakPolarHBondContact O-CB 3.47Å; C198-F201 PolarHBondContact O-N 2.99Å; C198-A202 WeakPolarHBondContact O-CB 3.48Å; C198-A202 PolarHBondContact O-N 3.44Å; C198-W216 HydrophobicContact CB-CD2 3.74Å; C198-W216 HydrophobicContact CB-CE3 4.16Å; C198-W216 HydrophobicContact CB-CG 4.11Å; C198-W216 HydrophobicContact CB-CH2 4.32Å; C198-W216 HydrophobicContact CB-CZ2 3.91Å; C198-W216 HydrophobicContact CB-CZ3 4.43Å; C198-W216 VanDerWaalsContact SG-CD2 3.58Å |
| 199 | F | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 179.5 | -84.7 | -100.4 | 0 | 0 | 0 | 113 | Q163 L166 V195 R196 A202 N203 N204 K205 P206 L208 | Q163-F199 HydrophobicContact CB-CE2 4.14Å; Q163-F199 HydrophobicContact CB-CZ 4.22Å; Q163-F199 HydrophobicContact CG-CD1 3.67Å; Q163-F199 HydrophobicContact CG-CD2 3.59Å; Q163-F199 HydrophobicContact CG-CE1 3.64Å; Q163-F199 HydrophobicContact CG-CE2 3.54Å; Q163-F199 HydrophobicContact CG-CG 3.66Å; Q163-F199 HydrophobicContact CG-CZ 3.58Å; L166-F199 HydrophobicContact CB-CE2 4.24Å; L166-F199 HydrophobicContact CD2-CD2 4.09Å; L166-F199 HydrophobicContact CD2-CE2 3.76Å; V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 4.26Å; V195-F199 WeakPolarHBondContact O-CD2 3.34Å; V195-F199 PolarHBondContact O-N 2.88Å; R196-F199 PolarHBondContact O-N 3.33Å; F199-A202 CarbonylContact O-C 3.6Å; F199-A202 WeakPolarHBondContact O-CA 3.41Å; F199-A202 WeakPolarHBondContact O-CB 3.44Å; F199-A202 PolarHBondContact O-N 3.46Å; F199-N203 PolarHBondContact O-N 3.34Å; F199-N204 VanDerWaalsContact O-CA 3.28Å; F199-N204 WeakPolarHBondContact O-CA 3.49Å; F199-N204 PolarHBondContact O-N 3.07Å; F199-K205 WeakPolarHBondContact CD1-O 3.44Å; F199-K205 WeakPolarHBondContact CE1-O 3.39Å; F199-P206 WeakPolarHBondContact CE1-O 3.37Å; F199-L208 HydrophobicContact CD2-CD1 4.01Å; F199-L208 HydrophobicContact CD2-CG 4.45Å; F199-L208 HydrophobicContact CE1-CD1 4.45Å; F199-L208 HydrophobicContact CE1-CD2 4.38Å; F199-L208 HydrophobicContact CE1-CG 3.96Å; F199-L208 HydrophobicContact CE2-CD1 3.45Å; F199-L208 VanDerWaalsContact CE2-CD1 3.45Å; F199-L208 HydrophobicContact CE2-CG 3.88Å; F199-L208 HydrophobicContact CZ-CD1 3.7Å; F199-L208 HydrophobicContact CZ-CD2 4.41Å; F199-L208 HydrophobicContact CZ-CG 3.59Å |
| 200 | Q | 96.8 | Very high | 96.2 | Very high | 120 Ų | 120 | 65 Ų | 65 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 170.5 | -75.1 | 172.7 | -11.8 | 0 | 0 | 111.5 | R196 S197 A202 N203 | R196-Q200 WeakPolarHBondContact O-CB 3.45Å; R196-Q200 VanDerWaalsContact O-CG 3.24Å; R196-Q200 WeakPolarHBondContact O-CG 3.49Å; R196-Q200 PolarHBondContact O-N 3.23Å; S197-Q200 PolarHBondContact O-N 2.92Å; Q200-A202 PolarHBondContact O-N 3.43Å; Q200-N203 PolarHBondContact O-N 3.47Å |
| 201 | F | 93.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 39% | 0.386 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.3 | -34.1 | 172.6 | 174.3 | -97 | 0 | 0 | 0 | 111.9 | S197 C198 N203 D215 W216 L219 | S197-F201 WeakPolarHBondContact O-CB 3.21Å; S197-F201 PolarHBondContact O-N 3.39Å; C198-F201 WeakPolarHBondContact O-CB 3.47Å; C198-F201 PolarHBondContact O-N 2.99Å; F201-N203 PolarHBondContact O-N 3.45Å; F201-D215 HydrophobicContact CE1-CB 3.84Å; F201-D215 HydrophobicContact CZ-CB 3.9Å; F201-W216 HydrophobicContact CD1-CB 3.78Å; F201-W216 HydrophobicContact CD1-CG 4.41Å; F201-W216 HydrophobicContact CE1-CB 4.02Å; F201-W216 HydrophobicContact CG-CB 4.45Å; F201-L219 HydrophobicContact CD2-CD1 3.78Å; F201-L219 HydrophobicContact CE2-CD1 3.63Å; F201-L219 HydrophobicContact CZ-CD1 4.35Å |
| 202 | A | 95.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 18.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | C198 F199 Q200 N204 K205 L208 M212 | C198-A202 WeakPolarHBondContact O-CB 3.48Å; C198-A202 PolarHBondContact O-N 3.44Å; F199-A202 CarbonylContact O-C 3.6Å; F199-A202 WeakPolarHBondContact O-CA 3.41Å; F199-A202 WeakPolarHBondContact O-CB 3.44Å; F199-A202 PolarHBondContact O-N 3.46Å; Q200-A202 PolarHBondContact O-N 3.43Å; A202-N204 PolarHBondContact O-N 3.22Å; A202-K205 WeakPolarHBondContact O-CG 3.31Å; A202-K205 PolarHBondContact O-N 3.19Å; A202-L208 HydrophobicContact CB-CD2 3.25Å; A202-M212 HydrophobicContact CB-CE 3.35Å |
| 203 | N | 95.8 | Very high | 96.5 | Very high | 142 Ų | 142 | 59.5 Ų | 59.5 | 76% | 0.759 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37 | -175.6 | -66.9 | -16.7 | 0 | 0 | 0 | 113.7 | F199 Q200 F201 K205 | F199-N203 PolarHBondContact O-N 3.34Å; Q200-N203 PolarHBondContact O-N 3.47Å; F201-N203 PolarHBondContact O-N 3.45Å; N203-K205 PolarHBondContact O-N 3.38Å |
| 204 | N | 95.3 | Very high | 96.3 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 29.8 | 179.4 | -55 | -59.6 | 0 | 0 | 0 | 114.4 | F199 A202 | F199-N204 VanDerWaalsContact O-CA 3.28Å; F199-N204 WeakPolarHBondContact O-CA 3.49Å; F199-N204 PolarHBondContact O-N 3.07Å; A202-N204 PolarHBondContact O-N 3.22Å |
| 205 | K | 95.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 59.2 Ų | 59.2 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | trans | -57.3 | 145.7 | 168.9 | -74.1 | -174.1 | -170.4 | -178.4 | 0 | 110.4 | F199 A202 N203 E207 M212 | F199-K205 WeakPolarHBondContact CD1-O 3.44Å; F199-K205 WeakPolarHBondContact CE1-O 3.39Å; A202-K205 WeakPolarHBondContact O-CG 3.31Å; A202-K205 PolarHBondContact O-N 3.19Å; N203-K205 PolarHBondContact O-N 3.38Å; K205-E207 PolarHBondContact O-N 3.23Å; K205-M212 HydrophobicContact CD-CE 3.9Å; K205-M212 HydrophobicContact CD-SD 4.07Å | ||
| 206 | P | 95.6 | Very high | 96 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 72% | 0.721 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -66.7 | -26.7 | -179.9 | 27.4 | -35 | 0 | 0 | 0 | 112.7 | F199 | F199-P206 WeakPolarHBondContact CE1-O 3.37Š|
| 207 | E | 97.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -138.1 | 152.9 | -179.4 | -59.4 | -173.5 | 118.4 | 0 | 0 | 111.5 | F160 C161 K205 | F160-E207 HydrophobicContact CB-CB 4.04Å; F160-E207 HydrophobicContact CB-CG 4.46Å; F160-E207 HydrophobicContact CD1-CB 4.25Å; F160-E207 HydrophobicContact CG-CB 4.49Å; C161-E207 WeakPolarHBondContact O-CA 3.36Å; K205-E207 PolarHBondContact O-N 3.23Å |
| 208 | L | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -105.9 | 143.1 | 178.2 | -59.9 | 174.7 | 0 | 0 | 0 | 111.3 | F151 F160 C161 L166 F199 A202 M212 | F151-L208 HydrophobicContact CE2-CB 4.37Å; F151-L208 HydrophobicContact CZ-CB 4.41Å; F160-L208 CarbonylContact C-O 3.1Å; F160-L208 WeakPolarHBondContact CA-O 3.08Å; C161-L208 HydrophobicContact CB-CB 4.37Å; C161-L208 PolarHBondContact N-O 2.95Å; C161-L208 PolarHBondContact O-N 3.44Å; L166-L208 HydrophobicContact CD2-CD1 3.94Å; F199-L208 HydrophobicContact CD2-CD1 4.01Å; F199-L208 HydrophobicContact CD2-CG 4.45Å; F199-L208 HydrophobicContact CE1-CD1 4.45Å; F199-L208 HydrophobicContact CE1-CD2 4.38Å; F199-L208 HydrophobicContact CE1-CG 3.96Å; F199-L208 HydrophobicContact CE2-CD1 3.45Å; F199-L208 VanDerWaalsContact CE2-CD1 3.45Å; F199-L208 HydrophobicContact CE2-CG 3.88Å; F199-L208 HydrophobicContact CZ-CD1 3.7Å; F199-L208 HydrophobicContact CZ-CD2 4.41Å; F199-L208 HydrophobicContact CZ-CG 3.59Å; A202-L208 HydrophobicContact CB-CD2 3.25Å; L208-M212 HydrophobicContact CD2-CB 4.49Å |
| 209 | E | 96.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 32% | 0.324 | S | S | . | . | trans | -94.3 | 161.2 | 162 | -68.4 | 172.1 | -140.6 | 0 | 0 | 110.7 | F160 A211 M212 F213 | F160-E209 HydrophobicContact CD1-CG 3.94Å; F160-E209 HydrophobicContact CE1-CG 3.56Å; F160-E209 HydrophobicContact CZ-CG 4.5Å; E209-A211 VanDerWaalsContact C-N 3.26Å; E209-A211 PolarHBondContact O-N 2.66Å; E209-M212 PolarHBondContact O-N 3.25Å; E209-M212 VanDerWaalsContact O-N 3.15Å; E209-F213 PolarHBondContact O-N 3.01Å | ||
| 210 | A | 96.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 65.6 Ų | 65.6 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F151 M212 F213 L214 | F151-A210 HydrophobicContact CD1-CB 3.74Å; F151-A210 HydrophobicContact CE1-CB 3.79Å; A210-M212 PolarHBondContact O-N 3.03Å; A210-F213 PolarHBondContact O-N 3.1Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.23Å; A210-L214 PolarHBondContact O-N 3.19Å |
| 211 | A | 95.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E209 F213 L214 D215 | E209-A211 VanDerWaalsContact C-N 3.26Å; E209-A211 PolarHBondContact O-N 2.66Å; A211-F213 PolarHBondContact O-N 3.47Å; A211-L214 PolarHBondContact O-N 3.11Å; A211-D215 PolarHBondContact O-N 2.7Å |
| 212 | M | 96.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 16% | 0.163 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 179.3 | -58.3 | -177.9 | 73.8 | 0 | 0 | 111.6 | A202 K205 L208 E209 A210 D215 W216 | A202-M212 HydrophobicContact CB-CE 3.35Å; K205-M212 HydrophobicContact CD-CE 3.9Å; K205-M212 HydrophobicContact CD-SD 4.07Å; L208-M212 HydrophobicContact CD2-CB 4.49Å; E209-M212 PolarHBondContact O-N 3.25Å; E209-M212 VanDerWaalsContact O-N 3.15Å; A210-M212 PolarHBondContact O-N 3.03Å; M212-D215 PolarHBondContact O-N 3.14Å; M212-W216 PolarHBondContact O-N 3.37Å |
| 213 | F | 97.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.7 | 171.5 | -105.2 | 0 | 0 | 0 | 111.8 | F151 L166 L169 E209 A210 A211 D215 W216 M217 | F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.91Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.58Å; F151-F213 HydrophobicContact CD2-CD1 3.58Å; F151-F213 HydrophobicContact CD2-CD2 4.01Å; F151-F213 HydrophobicContact CD2-CE1 4.25Å; F151-F213 AromaticContact CD2-CG 3.43Å; F151-F213 HydrophobicContact CD2-CG 3.43Å; F151-F213 VanDerWaalsContact CD2-CG 3.43Å; F151-F213 HydrophobicContact CE2-CB 3.62Å; F151-F213 HydrophobicContact CE2-CD1 4.49Å; F151-F213 HydrophobicContact CE2-CD2 4.49Å; F151-F213 AromaticContact CE2-CG 3.97Å; F151-F213 HydrophobicContact CE2-CG 3.97Å; F151-F213 HydrophobicContact CG-CB 4.42Å; F151-F213 AromaticContact CG-CD1 3.94Å; F151-F213 HydrophobicContact CG-CD1 3.94Å; F151-F213 HydrophobicContact CG-CG 4.24Å; L166-F213 HydrophobicContact CD1-CD2 4.03Å; L166-F213 HydrophobicContact CD1-CE2 3.88Å; L169-F213 HydrophobicContact CD2-CE2 4.27Å; L169-F213 HydrophobicContact CD2-CZ 3.89Å; E209-F213 PolarHBondContact O-N 3.01Å; A210-F213 PolarHBondContact O-N 3.1Å; A211-F213 PolarHBondContact O-N 3.47Å; F213-D215 VanDerWaalsContact C-N 3.35Å; F213-D215 PolarHBondContact O-N 2.66Å; F213-W216 HydrophobicContact CD2-CE3 4.23Å; F213-W216 HydrophobicContact CE2-CE3 4.19Å; F213-W216 HydrophobicContact CE2-CZ3 4.19Å; F213-W216 PolarHBondContact O-N 3.48Å; F213-M217 HydrophobicContact CD1-CG 4.24Å; F213-M217 HydrophobicContact CD2-CG 4.21Å; F213-M217 HydrophobicContact CE1-CG 3.83Å; F213-M217 HydrophobicContact CE2-CG 3.78Å; F213-M217 HydrophobicContact CE2-SD 3.87Å; F213-M217 HydrophobicContact CG-CG 4.43Å; F213-M217 HydrophobicContact CZ-CE 4.37Å; F213-M217 HydrophobicContact CZ-CG 3.58Å; F213-M217 HydrophobicContact CZ-SD 3.81Å; F213-M217 VanDerWaalsContact O-CG 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.29Å; F213-M217 PolarHBondContact O-N 3.38Å |
| 214 | L | 94.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.8 | -67.4 | 174 | 0 | 0 | 0 | 112.3 | E144 Y147 R148 A210 A211 W216 M217 R218 | E144-L214 HydrophobicContact CG-CD1 4.14Å; E144-L214 HydrophobicContact CG-CD2 4.02Å; Y147-L214 HydrophobicContact CD2-CD2 4.05Å; Y147-L214 HydrophobicContact CG-CD2 4.22Å; R148-L214 HydrophobicContact CG-CD1 3.81Å; R148-L214 HydrophobicContact CG-CD2 4.18Å; R148-L214 HydrophobicContact CG-CG 4.5Å; R148-L214 VanDerWaalsContact NH2-CD1 3.33Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.23Å; A210-L214 PolarHBondContact O-N 3.19Å; A211-L214 PolarHBondContact O-N 3.11Å; L214-W216 VanDerWaalsContact C-N 3.33Å; L214-W216 PolarHBondContact O-N 3.21Å; L214-M217 PolarHBondContact O-N 2.46Å; L214-R218 WeakPolarHBondContact O-CG 3.41Å; L214-R218 PolarHBondContact O-N 3.35Å |
| 215 | D | 93 | Very high | 94.1 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 175.1 | -73.3 | -27.1 | 0 | 0 | 0 | 112.1 | F201 A211 M212 F213 R218 | F201-D215 HydrophobicContact CE1-CB 3.84Å; F201-D215 HydrophobicContact CZ-CB 3.9Å; A211-D215 PolarHBondContact O-N 2.7Å; M212-D215 PolarHBondContact O-N 3.14Å; F213-D215 VanDerWaalsContact C-N 3.35Å; F213-D215 PolarHBondContact O-N 2.66Å; D215-R218 WeakPolarHBondContact O-CB 3.38Å; D215-R218 PolarHBondContact O-N 2.73Å; D215-R218 IonicContact OD1-CZ 2.73Å; D215-R218 IonicContact OD1-NH1 3.53Å; D215-R218 PolarHBondContact OD1-NH1 3.43Å |
| 216 | W | 95.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 172.8 | 179.7 | 72.8 | 0 | 0 | 0 | 112 | L170 S194 C198 F201 M212 F213 L214 R218 L219 P221 | L170-W216 HydrophobicContact CD1-CH2 4.16Å; L170-W216 HydrophobicContact CD2-CH2 4.3Å; L170-W216 HydrophobicContact CD2-CZ3 4.3Å; S194-W216 WeakPolarHBondContact O-CZ2 3.43Å; C198-W216 HydrophobicContact CB-CD2 3.74Å; C198-W216 HydrophobicContact CB-CE3 4.16Å; C198-W216 HydrophobicContact CB-CG 4.11Å; C198-W216 HydrophobicContact CB-CH2 4.32Å; C198-W216 HydrophobicContact CB-CZ2 3.91Å; C198-W216 HydrophobicContact CB-CZ3 4.43Å; C198-W216 VanDerWaalsContact SG-CD2 3.58Å; F201-W216 HydrophobicContact CD1-CB 3.78Å; F201-W216 HydrophobicContact CD1-CG 4.41Å; F201-W216 HydrophobicContact CE1-CB 4.02Å; F201-W216 HydrophobicContact CG-CB 4.45Å; M212-W216 PolarHBondContact O-N 3.37Å; F213-W216 HydrophobicContact CD2-CE3 4.23Å; F213-W216 HydrophobicContact CE2-CE3 4.19Å; F213-W216 HydrophobicContact CE2-CZ3 4.19Å; F213-W216 PolarHBondContact O-N 3.48Å; L214-W216 VanDerWaalsContact C-N 3.33Å; L214-W216 PolarHBondContact O-N 3.21Å; W216-R218 VanDerWaalsContact C-N 3.26Å; W216-R218 PolarHBondContact O-N 3.4Å; W216-L219 VanDerWaalsContact O-CB 3.3Å; W216-L219 WeakPolarHBondContact O-CB 3.33Å; W216-L219 PolarHBondContact O-N 3.5Å; W216-P221 HydrophobicContact CD2-CB 4.26Å; W216-P221 HydrophobicContact CD2-CG 3.88Å; W216-P221 HydrophobicContact CE3-CG 3.78Å; W216-P221 HydrophobicContact CH2-CB 3.61Å; W216-P221 HydrophobicContact CH2-CG 3.43Å; W216-P221 VanDerWaalsContact CH2-CG 3.43Å; W216-P221 HydrophobicContact CZ2-CB 3.23Å; W216-P221 HydrophobicContact CZ2-CG 3.52Å; W216-P221 HydrophobicContact CZ3-CB 4.24Å; W216-P221 HydrophobicContact CZ3-CG 3.56Å |
| 217 | M | 92.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -29 | 178 | -68.4 | -64.3 | -71.4 | 0 | 0 | 113 | Y147 F213 L214 L219 E220 P221 M224 | Y147-M217 HydrophobicContact CD1-CE 3.62Å; Y147-M217 HydrophobicContact CD2-CB 3.85Å; Y147-M217 HydrophobicContact CD2-CE 4.42Å; Y147-M217 HydrophobicContact CD2-CG 4.31Å; Y147-M217 HydrophobicContact CE1-CE 3.15Å; Y147-M217 HydrophobicContact CE2-CB 3.66Å; Y147-M217 HydrophobicContact CE2-CE 4.03Å; Y147-M217 HydrophobicContact CE2-CG 4.38Å; Y147-M217 HydrophobicContact CG-CB 4.48Å; Y147-M217 HydrophobicContact CG-CE 4.23Å; Y147-M217 HydrophobicContact CG-CG 4.47Å; F213-M217 HydrophobicContact CD1-CG 4.24Å; F213-M217 HydrophobicContact CD2-CG 4.21Å; F213-M217 HydrophobicContact CE1-CG 3.83Å; F213-M217 HydrophobicContact CE2-CG 3.78Å; F213-M217 HydrophobicContact CE2-SD 3.87Å; F213-M217 HydrophobicContact CG-CG 4.43Å; F213-M217 HydrophobicContact CZ-CE 4.37Å; F213-M217 HydrophobicContact CZ-CG 3.58Å; F213-M217 HydrophobicContact CZ-SD 3.81Å; F213-M217 VanDerWaalsContact O-CG 3.26Å; F213-M217 WeakPolarHBondContact O-CG 3.29Å; F213-M217 PolarHBondContact O-N 3.38Å; L214-M217 PolarHBondContact O-N 2.46Å; M217-L219 PolarHBondContact O-N 3.23Å; M217-E220 WeakPolarHBondContact O-CA 3.4Å; M217-E220 PolarHBondContact O-N 3.23Å; M217-P221 HydrophobicContact SD-CG 3.99Å; M217-M224 HydrophobicContact CE-CB 3.6Å; M217-M224 HydrophobicContact CE-CE 3.9Å; M217-M224 HydrophobicContact CE-CG 3.83Å; M217-M224 HydrophobicContact SD-CB 4.04Å; M217-M224 HydrophobicContact SD-CG 3.95Å |
| 218 | R | 87.7 | Confident | 94.1 | Very high | 148 Ų | 148 | 33.4 Ų | 33.4 | 56% | 0.558 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.3 | 172.5 | -72.9 | 168.2 | -176.4 | 159.7 | -1.6 | 113.2 | E144 L214 D215 W216 E220 | E144-R218 IonicContact OE2-NH2 3.77Å; E144-R218 PolarHBondContact OE2-NH2 3.23Å; E144-R218 VanDerWaalsContact OE2-NH2 3.11Å; L214-R218 WeakPolarHBondContact O-CG 3.41Å; L214-R218 PolarHBondContact O-N 3.35Å; D215-R218 WeakPolarHBondContact O-CB 3.38Å; D215-R218 PolarHBondContact O-N 2.73Å; D215-R218 IonicContact OD1-CZ 2.73Å; D215-R218 IonicContact OD1-NH1 3.53Å; D215-R218 PolarHBondContact OD1-NH1 3.43Å; W216-R218 VanDerWaalsContact C-N 3.26Å; W216-R218 PolarHBondContact O-N 3.4Å; R218-E220 PolarHBondContact O-N 3.04Å |
| 219 | L | 87.6 | Confident | 94 | Very high | 115 Ų | 115 | 33.4 Ų | 33.4 | 60% | 0.602 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.3 | 171.5 | -56.3 | 178.6 | 0 | 0 | 0 | 112.8 | F201 W216 M217 | F201-L219 HydrophobicContact CD2-CD1 3.78Å; F201-L219 HydrophobicContact CE2-CD1 3.63Å; F201-L219 HydrophobicContact CZ-CD1 4.35Å; W216-L219 VanDerWaalsContact O-CB 3.3Å; W216-L219 WeakPolarHBondContact O-CB 3.33Å; W216-L219 PolarHBondContact O-N 3.5Å; M217-L219 PolarHBondContact O-N 3.23Å |
| 220 | E | 91.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 28.9 Ų | 28.9 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | trans | 53.1 | 61.9 | -178.3 | -54.9 | -165.9 | 162.5 | 0 | 0 | 112.6 | M217 R218 V225 P228 R232 | M217-E220 WeakPolarHBondContact O-CA 3.4Å; M217-E220 PolarHBondContact O-N 3.23Å; R218-E220 PolarHBondContact O-N 3.04Å; E220-V225 HydrophobicContact CB-CB 4.34Å; E220-V225 HydrophobicContact CB-CG2 3.91Å; E220-P228 HydrophobicContact CG-CG 4.12Å; E220-R232 IonicContact OE1-CZ 3.39Å; E220-R232 IonicContact OE1-NH1 3.16Å; E220-R232 PolarHBondContact OE1-NH1 3.25Å; E220-R232 IonicContact OE1-NH2 2.76Å; E220-R232 IonicContact OE2-CZ 2.73Å; E220-R232 IonicContact OE2-NH1 3.07Å; E220-R232 IonicContact OE2-NH2 3.99Å; E220-R232 PolarHBondContact OE2-NH2 3.28Å | ||
| 221 | P | 91.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 10% | 0.104 | 15% | 0.148 | C | C | . | . | trans | -60 | 144.6 | -175.9 | 25.6 | -33.2 | 0 | 0 | 0 | 110.8 | W216 M217 S223 M224 V225 | W216-P221 HydrophobicContact CD2-CB 4.26Å; W216-P221 HydrophobicContact CD2-CG 3.88Å; W216-P221 HydrophobicContact CE3-CG 3.78Å; W216-P221 HydrophobicContact CH2-CB 3.61Å; W216-P221 HydrophobicContact CH2-CG 3.43Å; W216-P221 VanDerWaalsContact CH2-CG 3.43Å; W216-P221 HydrophobicContact CZ2-CB 3.23Å; W216-P221 HydrophobicContact CZ2-CG 3.52Å; W216-P221 HydrophobicContact CZ3-CB 4.24Å; W216-P221 HydrophobicContact CZ3-CG 3.56Å; M217-P221 HydrophobicContact SD-CG 3.99Å; P221-S223 PolarHBondContact O-N 2.86Å; P221-M224 HydrophobicContact CG-CB 4.19Å; P221-M224 CarbonylContact O-C 3.58Å; P221-M224 PolarHBondContact O-N 3.42Å; P221-V225 PolarHBondContact O-N 3.21Å | ||
| 222 | Q | 90.6 | Very high | 93.9 | Very high | 61 Ų | 61 | 28.8 Ų | 28.8 | 29% | 0.285 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.4 | -169.5 | -165 | 64.7 | 42.5 | 0 | 0 | 113.3 | S185 F186 M224 G325 | S185-Q222 PolarHBondContact O-NE2 3.26Å; F186-Q222 WeakPolarHBondContact CA-O 3.33Å; F186-Q222 VanDerWaalsContact CD1-O 3.29Å; F186-Q222 WeakPolarHBondContact CD1-O 3.25Å; Q222-M224 VanDerWaalsContact C-N 3.27Å; Q222-M224 PolarHBondContact O-N 3.31Å; Q222-G325 PolarHBondContact OE1-O 3.45Å |
| 223 | S | 94 | Very high | 93.8 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.8 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | F186 S194 P221 W226 | F186-S223 WeakPolarHBondContact O-CA 3.27Å; S194-S223 VanDerWaalsContact CB-OG 3.31Å; S194-S223 WeakPolarHBondContact CB-OG 3.43Å; S194-S223 VanDerWaalsContact OG-CB 3.27Å; S194-S223 WeakPolarHBondContact OG-CB 3.33Å; S194-S223 PolarHBondContact OG-OG 2.85Å; P221-S223 PolarHBondContact O-N 2.86Å; S223-W226 PolarHBondContact O-NE1 3.34Å |
| 224 | M | 96 | Very high | 93.7 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -7.3 | -175.1 | -63.3 | -60.2 | -67.7 | 0 | 0 | 114.4 | L170 S173 M217 P221 Q222 W226 L227 P228 | L170-M224 HydrophobicContact CD2-CG 3.77Å; L170-M224 HydrophobicContact CD2-SD 3.79Å; S173-M224 WeakPolarHBondContact CB-SD 3.49Å; M217-M224 HydrophobicContact CE-CB 3.6Å; M217-M224 HydrophobicContact CE-CE 3.9Å; M217-M224 HydrophobicContact CE-CG 3.83Å; M217-M224 HydrophobicContact SD-CB 4.04Å; M217-M224 HydrophobicContact SD-CG 3.95Å; P221-M224 HydrophobicContact CG-CB 4.19Å; P221-M224 CarbonylContact O-C 3.58Å; P221-M224 PolarHBondContact O-N 3.42Å; Q222-M224 VanDerWaalsContact C-N 3.27Å; Q222-M224 PolarHBondContact O-N 3.31Å; M224-W226 HydrophobicContact CE-CZ2 4.47Å; M224-W226 PolarHBondContact O-N 3.39Å; M224-L227 HydrophobicContact CE-CD2 4.39Å; M224-L227 PolarHBondContact O-N 2.96Å; M224-P228 WeakPolarHBondContact O-CD 3.44Å |
| 225 | V | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.8 | -174.4 | 67.6 | 0 | 0 | 0 | 0 | 114.3 | A37 F186 E220 P221 L227 P228 V229 | A37-V225 HydrophobicContact CB-CG1 4.33Å; F186-V225 HydrophobicContact CD1-CG1 3.89Å; F186-V225 HydrophobicContact CE1-CG1 3.8Å; E220-V225 HydrophobicContact CB-CB 4.34Å; E220-V225 HydrophobicContact CB-CG2 3.91Å; P221-V225 PolarHBondContact O-N 3.21Å; V225-L227 VanDerWaalsContact C-N 3.27Å; V225-L227 PolarHBondContact O-N 2.84Å; V225-P228 VanDerWaalsContact O-CD 3.25Å; V225-P228 WeakPolarHBondContact O-CD 3.31Å; V225-P228 WeakPolarHBondContact O-CG 3.39Å; V225-V229 HydrophobicContact CG2-CG2 3.95Å; V225-V229 WeakPolarHBondContact O-CB 3.38Å; V225-V229 WeakPolarHBondContact O-CG2 3.46Å; V225-V229 PolarHBondContact O-N 3.15Å |
| 226 | W | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.1 | -33.2 | 173.5 | 58.4 | -92.3 | 0 | 0 | 0 | 113.2 | T40 L44 S173 I176 P177 F186 S223 M224 L230 | T40-W226 HydrophobicContact CG2-CB 4.21Å; L44-W226 HydrophobicContact CD1-CD2 4.28Å; L44-W226 HydrophobicContact CD1-CE3 3.45Å; L44-W226 VanDerWaalsContact CD1-CE3 3.45Å; L44-W226 HydrophobicContact CD1-CZ3 3.99Å; S173-W226 WeakPolarHBondContact O-CZ2 3.42Å; I176-W226 HydrophobicContact CB-CH2 4.32Å; I176-W226 HydrophobicContact CB-CZ2 4.49Å; I176-W226 HydrophobicContact CD1-CH2 3.68Å; I176-W226 HydrophobicContact CD1-CZ2 4.27Å; I176-W226 HydrophobicContact CD1-CZ3 4.44Å; I176-W226 HydrophobicContact CG2-CH2 4.3Å; I176-W226 HydrophobicContact CG2-CZ3 4.26Å; P177-W226 HydrophobicContact CG-CG 4.44Å; F186-W226 HydrophobicContact CD1-CB 4.34Å; F186-W226 AromaticContact CD1-CD1 3.97Å; F186-W226 HydrophobicContact CE1-CB 3.63Å; F186-W226 HydrophobicContact CE1-CG 4.3Å; F186-W226 HydrophobicContact CZ-CB 3.81Å; S223-W226 PolarHBondContact O-NE1 3.34Å; M224-W226 HydrophobicContact CE-CZ2 4.47Å; M224-W226 PolarHBondContact O-N 3.39Å; W226-L230 WeakPolarHBondContact O-CB 3.46Å; W226-L230 PolarHBondContact O-N 2.97Å |
| 227 | L | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.6 | -50.2 | -177.5 | -175 | 52.7 | 0 | 0 | 0 | 113.3 | S137 L143 Y147 M224 V225 V229 L230 H231 | S137-L227 WeakPolarHBondContact O-CD1 3.46Å; L143-L227 HydrophobicContact CD1-CG 3.91Å; Y147-L227 HydrophobicContact CD1-CD2 4.35Å; Y147-L227 HydrophobicContact CE1-CD2 3.77Å; Y147-L227 HydrophobicContact CE1-CG 4.26Å; M224-L227 HydrophobicContact CE-CD2 4.39Å; M224-L227 PolarHBondContact O-N 2.96Å; V225-L227 VanDerWaalsContact C-N 3.27Å; V225-L227 PolarHBondContact O-N 2.84Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.3Å; L227-L230 HydrophobicContact CD1-CD2 4.37Å; L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 3.25Å; L227-H231 PolarHBondContact O-CD2 3.46Å; L227-H231 VanDerWaalsContact O-CD2 3.23Å; L227-H231 PolarHBondContact O-N 2.72Å |
| 228 | P | 95.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -36.6 | 172.7 | 23.2 | -30.2 | 0 | 0 | 0 | 111.8 | L143 Y147 E220 M224 V225 L230 H231 R232 | L143-P228 HydrophobicContact CD2-CB 3.71Å; Y147-P228 WeakPolarHBondContact OH-CD 3.09Å; E220-P228 HydrophobicContact CG-CG 4.12Å; M224-P228 WeakPolarHBondContact O-CD 3.44Å; V225-P228 VanDerWaalsContact O-CD 3.25Å; V225-P228 WeakPolarHBondContact O-CD 3.31Å; V225-P228 WeakPolarHBondContact O-CG 3.39Å; P228-L230 PolarHBondContact O-N 3.34Å; P228-H231 WeakPolarHBondContact O-CB 3.19Å; P228-H231 PolarHBondContact O-N 3.5Å; P228-R232 WeakPolarHBondContact O-CG 3.44Å; P228-R232 PolarHBondContact O-N 3.36Å |
| 229 | V | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | A37 Y38 A41 V225 L227 H231 R232 V233 | A37-V229 HydrophobicContact CB-CG2 4.07Å; Y38-V229 HydrophobicContact CD1-CG1 3.64Å; Y38-V229 HydrophobicContact CE1-CG1 3.91Å; Y38-V229 HydrophobicContact CG-CG1 4.06Å; A41-V229 HydrophobicContact CB-CB 3.99Å; A41-V229 HydrophobicContact CB-CG1 3.55Å; V225-V229 HydrophobicContact CG2-CG2 3.95Å; V225-V229 WeakPolarHBondContact O-CB 3.38Å; V225-V229 WeakPolarHBondContact O-CG2 3.46Å; V225-V229 PolarHBondContact O-N 3.15Å; L227-V229 VanDerWaalsContact C-N 3.28Å; L227-V229 PolarHBondContact O-N 3.3Å; V229-H231 VanDerWaalsContact C-N 3.3Å; V229-H231 PolarHBondContact O-N 2.96Å; V229-R232 VanDerWaalsContact CG2-NH2 3.27Å; V229-R232 PolarHBondContact O-N 3.32Å; V229-R232 VanDerWaalsContact O-N 3.15Å; V229-V233 HydrophobicContact CG1-CG2 4.39Å; V229-V233 WeakPolarHBondContact O-CG2 3.33Å; V229-V233 PolarHBondContact O-N 3.1Å |
| 230 | L | 97.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.2 | -44 | 172 | 173.1 | 63 | 0 | 0 | 0 | 111.8 | A41 L44 R45 L138 W226 L227 P228 V233 A234 | A41-L230 HydrophobicContact CB-CB 4.28Å; A41-L230 WeakPolarHBondContact O-CD1 3.24Å; L44-L230 HydrophobicContact CB-CD1 4.08Å; L44-L230 HydrophobicContact CB-CD2 4.34Å; R45-L230 HydrophobicContact CB-CD1 3.78Å; L138-L230 HydrophobicContact CD2-CD2 3.75Å; W226-L230 WeakPolarHBondContact O-CB 3.46Å; W226-L230 PolarHBondContact O-N 2.97Å; L227-L230 HydrophobicContact CD1-CD2 4.37Å; L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 3.25Å; P228-L230 PolarHBondContact O-N 3.34Å; L230-V233 PolarHBondContact O-N 2.79Å; L230-A234 PolarHBondContact O-N 2.8Å |
| 231 | H | 94.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 27.3 Ų | 27.3 | 20% | 0.199 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.7 | -79 | -117.9 | 0 | 0 | 0 | 112 | A141 K146 L227 P228 V229 A234 A235 | A141-H231 PolarHBondContact O-CE1 3.28Å; A141-H231 VanDerWaalsContact O-CE1 3.25Å; K146-H231 PolarHBondContact NZ-NE2 3.43Å; L227-H231 PolarHBondContact O-CD2 3.46Å; L227-H231 VanDerWaalsContact O-CD2 3.23Å; L227-H231 PolarHBondContact O-N 2.72Å; P228-H231 WeakPolarHBondContact O-CB 3.19Å; P228-H231 PolarHBondContact O-N 3.5Å; V229-H231 VanDerWaalsContact C-N 3.3Å; V229-H231 PolarHBondContact O-N 2.96Å; H231-A234 PolarHBondContact O-N 3.32Å; H231-A235 PolarHBondContact O-N 2.82Å |
| 232 | R | 94.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 34 Ų | 34 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.1 | -65.9 | -163.1 | -62.2 | -89.3 | 19.8 | 112.2 | E220 P228 V229 A235 A236 F256 E290 C292 | E220-R232 IonicContact OE1-CZ 3.39Å; E220-R232 IonicContact OE1-NH1 3.16Å; E220-R232 PolarHBondContact OE1-NH1 3.25Å; E220-R232 IonicContact OE1-NH2 2.76Å; E220-R232 IonicContact OE2-CZ 2.73Å; E220-R232 IonicContact OE2-NH1 3.07Å; E220-R232 IonicContact OE2-NH2 3.99Å; E220-R232 PolarHBondContact OE2-NH2 3.28Å; P228-R232 WeakPolarHBondContact O-CG 3.44Å; P228-R232 PolarHBondContact O-N 3.36Å; V229-R232 VanDerWaalsContact CG2-NH2 3.27Å; V229-R232 PolarHBondContact O-N 3.32Å; V229-R232 VanDerWaalsContact O-N 3.15Å; R232-A235 PolarHBondContact O-N 2.73Å; R232-A236 VanDerWaalsContact O-CB 3.31Å; R232-A236 WeakPolarHBondContact O-CB 3.3Å; R232-A236 PolarHBondContact O-N 2.74Å; R232-F256 VanDerWaalsContact C-CZ 3.42Å; R232-F256 HydrophobicContact CB-CE1 3.84Å; R232-F256 HydrophobicContact CB-CZ 3.77Å; R232-F256 WeakPolarHBondContact O-CZ 3.08Å; R232-E290 WeakPolarHBondContact CD-OE1 3.36Å; R232-E290 IonicContact CZ-OE1 2.75Å; R232-E290 IonicContact NE-OE1 3.68Å; R232-E290 PolarHBondContact NE-OE1 3.42Å; R232-C292 HydrophobicContact CB-CB 4.45Å |
| 233 | V | 95.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 109.9 | Y38 A41 M42 R45 V229 L230 A235 A236 E237 F256 | Y38-V233 HydrophobicContact CD1-CG2 4.49Å; A41-V233 HydrophobicContact CB-CG2 3.86Å; M42-V233 HydrophobicContact CG-CG1 4.21Å; M42-V233 HydrophobicContact CG-CG2 4.21Å; R45-V233 HydrophobicContact CB-CG1 4.03Å; R45-V233 HydrophobicContact CG-CG1 4.05Å; V229-V233 HydrophobicContact CG1-CG2 4.39Å; V229-V233 WeakPolarHBondContact O-CG2 3.33Å; V229-V233 PolarHBondContact O-N 3.1Å; L230-V233 PolarHBondContact O-N 2.79Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.05Å; V233-A236 PolarHBondContact O-N 3.25Å; V233-E237 WeakPolarHBondContact O-CG 3.4Å; V233-E237 PolarHBondContact O-N 3.25Å; V233-F256 HydrophobicContact CB-CE2 4.44Å; V233-F256 HydrophobicContact CG2-CE2 3.91Å; V233-F256 HydrophobicContact CG2-CZ 4.14Å |
| 234 | A | 93.7 | Very high | 94 | Very high | 29 Ų | 29 | 37 Ų | 37 | 24% | 0.24 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L230 H231 | L230-A234 PolarHBondContact O-N 2.8Å; H231-A234 PolarHBondContact O-N 3.32Å |
| 235 | A | 90.1 | Very high | 94 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 31% | 0.314 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H231 R232 V233 E237 C292 | H231-A235 PolarHBondContact O-N 2.82Å; R232-A235 PolarHBondContact O-N 2.73Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 3.05Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.38Å; A235-C292 CarbonylContact C-O 3.6Å; A235-C292 VanDerWaalsContact C-O 3.3Å; A235-C292 HydrophobicContact CB-CB 4.39Å |
| 236 | A | 93.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -29.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R232 V233 T238 A239 G255 F256 C292 | R232-A236 VanDerWaalsContact O-CB 3.31Å; R232-A236 WeakPolarHBondContact O-CB 3.3Å; R232-A236 PolarHBondContact O-N 2.74Å; V233-A236 PolarHBondContact O-N 3.25Å; A236-T238 PolarHBondContact O-N 3.13Å; A236-A239 WeakPolarHBondContact O-CB 3.46Å; A236-A239 PolarHBondContact O-N 3.18Å; A236-G255 WeakPolarHBondContact O-CA 3.19Å; A236-F256 HydrophobicContact CB-CD1 3.99Å; A236-F256 HydrophobicContact CB-CD2 3.7Å; A236-F256 HydrophobicContact CB-CE1 4.02Å; A236-F256 HydrophobicContact CB-CE2 3.69Å; A236-F256 HydrophobicContact CB-CG 3.86Å; A236-F256 HydrophobicContact CB-CZ 3.87Å; A236-C292 WeakPolarHBondContact CA-O 3.44Å; A236-C292 HydrophobicContact CB-CB 3.97Å; A236-C292 PolarHBondContact N-O 2.84Å |
| 237 | E | 91.4 | Very high | 94.1 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -34.1 | -175.8 | -76 | 177.4 | 161.7 | 0 | 0 | 114.2 | R45 K49 V233 A235 | R45-E237 VanDerWaalsContact CG-OE1 3.25Å; R45-E237 WeakPolarHBondContact CG-OE1 3.47Å; R45-E237 IonicContact CZ-OE1 2.8Å; R45-E237 IonicContact CZ-OE2 2.66Å; R45-E237 IonicContact NE-OE1 3.66Å; R45-E237 PolarHBondContact NE-OE1 3.02Å; R45-E237 IonicContact NE-OE2 3.76Å; R45-E237 PolarHBondContact NE-OE2 3.06Å; R45-E237 VanDerWaalsContact NE-OE2 3.16Å; R45-E237 IonicContact NH2-OE2 3.96Å; R45-E237 PolarHBondContact NH2-OE2 3.36Å; K49-E237 WeakPolarHBondContact CE-OE2 3.39Å; K49-E237 IonicContact NZ-OE1 3.82Å; K49-E237 PolarHBondContact NZ-OE1 3.12Å; K49-E237 IonicContact NZ-OE2 3.76Å; K49-E237 PolarHBondContact NZ-OE2 2.95Å; V233-E237 WeakPolarHBondContact O-CG 3.4Å; V233-E237 PolarHBondContact O-N 3.25Å; A235-E237 VanDerWaalsContact C-N 3.31Å; A235-E237 PolarHBondContact O-N 3.38Å |
| 238 | T | 88.7 | Confident | 94.1 | Very high | 128 Ų | 128 | 42 Ų | 42 | 79% | 0.785 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 1.3 | -179.3 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | A236 | A236-T238 PolarHBondContact O-N 3.13Š|
| 239 | A | 91.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | trans | -74.5 | 132.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A236 I254 G255 C292 | A236-A239 WeakPolarHBondContact O-CB 3.46Å; A236-A239 PolarHBondContact O-N 3.18Å; A239-I254 WeakPolarHBondContact O-CA 3.31Å; A239-G255 PolarHBondContact O-N 2.98Å; A239-C292 WeakPolarHBondContact CB-O 3.35Å | ||
| 240 | K | 93.3 | Very high | 94.2 | Very high | 119 Ų | 119 | 51.1 Ų | 51.1 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.7 | 176.4 | -174.1 | 180 | -175.7 | 177.7 | 0 | 109.1 | P252 | K240-P252 HydrophobicContact CD-CG 4.33Å; K240-P252 HydrophobicContact CG-CB 4.05Å; K240-P252 HydrophobicContact CG-CG 4.11Å |
| 241 | H | 92.4 | Very high | 94 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.1 | 179.2 | -54.4 | -90.2 | 0 | 0 | 0 | 110 | A243 P252 I253 G255 R257 T293 | H241-A243 HydrophobicContact CB-CB 4.44Å; H241-A243 PolarHBondContact O-N 3.1Å; H241-P252 WeakPolarHBondContact O-CA 3.33Å; H241-P252 WeakPolarHBondContact O-CB 2.87Å; H241-I253 HydrophobicContact CB-CB 4.31Å; H241-I253 PolarHBondContact N-O 3.05Å; H241-I253 PolarHBondContact O-N 3.46Å; H241-G255 PolarHBondContact CD2-O 3.3Å; H241-G255 PolarHBondContact NE2-O 3.48Å; H241-R257 HydrophobicContact CB-CB 4.38Å; H241-T293 PolarHBondContact CE1-O 3.14Å |
| 242 | Q | 93.5 | Very high | 94 | Very high | 155 Ų | 155 | 54.3 Ų | 54.3 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -75.3 | 56 | 172.6 | -60.3 | -63.5 | -8.6 | 0 | 0 | 110.9 | ||
| 243 | A | 93.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | trans | -130.6 | 149 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | H241 I253 D267 | H241-A243 HydrophobicContact CB-CB 4.44Å; H241-A243 PolarHBondContact O-N 3.1Å; A243-I253 HydrophobicContact CB-CD1 4.19Å; A243-I253 WeakPolarHBondContact O-CG1 3.18Å; A243-I253 PolarHBondContact O-N 3.45Å; A243-D267 HydrophobicContact CB-CB 4.5Å | ||
| 244 | K | 96 | Very high | 94 | Very high | 119 Ų | 119 | 57.1 Ų | 57.1 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | trans | -101.8 | 127.9 | 178.5 | -178.2 | 172.1 | -174.1 | 169.2 | 0 | 109.7 | N246 K249 E250 C251 | K244-N246 PolarHBondContact O-N 3.44Å; K244-N246 PolarHBondContact O-OD1 3.49Å; K244-K249 VanDerWaalsContact CE-O 3.3Å; K244-K249 WeakPolarHBondContact CE-O 3.43Å; K244-E250 WeakPolarHBondContact CA-O 3.25Å; K244-C251 HydrophobicContact CB-CB 4.06Å; K244-C251 HydrophobicContact CG-CB 4.15Å | ||
| 245 | C | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -63.6 | 126.6 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | I247 C248 K249 E250 I253 C269 | C245-I247 PolarHBondContact O-N 3.12Å; C245-I247 PolarHBondContact SG-N 3.48Å; C245-C248 VanDerWaalsContact CB-SG 3.59Å; C245-C248 PolarHBondContact SG-SG 2.99Å; C245-K249 WeakPolarHBondContact O-CA 2.95Å; C245-K249 PolarHBondContact O-N 3.27Å; C245-E250 PolarHBondContact N-O 3.19Å; C245-I253 HydrophobicContact CB-CD1 4.2Å; C245-I253 HydrophobicContact CB-CG1 4.28Å; C245-C269 HydrophobicContact CB-CB 4.05Å; C245-C269 PolarHBondContact SG-N 2.84Å; C245-C269 VanDerWaalsContact SG-N 3.37Å; C245-C269 VanDerWaalsContact SG-SG 3.67Å | ||
| 246 | N | 96.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.9 | -179.7 | -71.6 | 62.8 | 0 | 0 | 0 | 112.9 | K244 K249 N265 Y266 D267 | K244-N246 PolarHBondContact O-N 3.44Å; K244-N246 PolarHBondContact O-OD1 3.49Å; N246-K249 PolarHBondContact O-NZ 3.09Å; N246-N265 PolarHBondContact ND2-O 3.26Å; N246-Y266 HydrophobicContact CB-CD1 4.3Å; N246-Y266 HydrophobicContact CB-CD2 4.04Å; N246-Y266 HydrophobicContact CB-CE1 4.11Å; N246-Y266 HydrophobicContact CB-CE2 3.86Å; N246-Y266 HydrophobicContact CB-CG 4.26Å; N246-D267 WeakPolarHBondContact CB-O 3.31Å; N246-D267 PolarHBondContact N-O 3.36Å; N246-D267 PolarHBondContact OD1-N 3.43Å; N246-D267 PolarHBondContact OD1-O 2.96Å; N246-D267 VanDerWaalsContact OD1-O 3.11Å |
| 247 | I | 95.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -74.5 | -179.1 | -54.2 | -172.7 | 0 | 0 | 0 | 110.8 | C245 K249 I268 C272 R277 A279 | C245-I247 PolarHBondContact O-N 3.12Å; C245-I247 PolarHBondContact SG-N 3.48Å; I247-K249 VanDerWaalsContact C-N 3.33Å; I247-K249 PolarHBondContact O-N 3.48Å; I247-I268 HydrophobicContact CD1-CD1 4.33Å; I247-I268 HydrophobicContact CD1-CG1 4.4Å; I247-I268 HydrophobicContact CD1-CG2 3.9Å; I247-I268 HydrophobicContact CG1-CG2 4.49Å; I247-C272 HydrophobicContact CB-CB 4.14Å; I247-C272 HydrophobicContact CD1-CB 4.11Å; I247-C272 HydrophobicContact CG2-CB 4.3Å; I247-R277 HydrophobicContact CD1-CB 4.1Å; I247-R277 WeakPolarHBondContact CD1-O 3.41Å; I247-R277 HydrophobicContact CG2-CB 3.96Å; I247-A279 HydrophobicContact CG1-CB 3.97Å |
| 248 | C | 96.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.4 | -176.6 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | C245 E250 C272 | C245-C248 VanDerWaalsContact CB-SG 3.59Å; C245-C248 PolarHBondContact SG-SG 2.99Å; C248-E250 PolarHBondContact O-N 2.91Å; C248-E250 VanDerWaalsContact O-N 3.14Å; C248-E250 VanDerWaalsContact SG-CB 3.53Å; C248-C272 VanDerWaalsContact SG-SG 3.67Å |
| 249 | K | 96.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | trans | 66.7 | 4.1 | -179.6 | -47.9 | -54 | -179.5 | -170.4 | 0 | 116 | K244 C245 N246 I247 | K244-K249 VanDerWaalsContact CE-O 3.3Å; K244-K249 WeakPolarHBondContact CE-O 3.43Å; C245-K249 WeakPolarHBondContact O-CA 2.95Å; C245-K249 PolarHBondContact O-N 3.27Å; N246-K249 PolarHBondContact O-NZ 3.09Å; I247-K249 VanDerWaalsContact C-N 3.33Å; I247-K249 PolarHBondContact O-N 3.48Å | ||
| 250 | E | 96.3 | Very high | 94.4 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | trans | -57.8 | 136.3 | 173.4 | -169.2 | 175.1 | -174.3 | 0 | 0 | 111.5 | K244 C245 C248 | K244-E250 WeakPolarHBondContact CA-O 3.25Å; C245-E250 PolarHBondContact N-O 3.19Å; C248-E250 PolarHBondContact O-N 2.91Å; C248-E250 VanDerWaalsContact O-N 3.14Å; C248-E250 VanDerWaalsContact SG-CB 3.53Å | ||
| 251 | C | 94.7 | Very high | 94 | Very high | 76 Ų | 76 | 41.1 Ų | 41.1 | 51% | 0.514 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -155.2 | 131.1 | 179 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | K244 | K244-C251 HydrophobicContact CB-CB 4.06Å; K244-C251 HydrophobicContact CG-CB 4.15Å |
| 252 | P | 94.5 | Very high | 93.6 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | S | Bend | cis | -71.2 | 156.1 | -2.9 | 28.3 | -30 | 0 | 0 | 0 | 112.1 | K240 H241 I254 | K240-P252 HydrophobicContact CD-CG 4.33Å; K240-P252 HydrophobicContact CG-CB 4.05Å; K240-P252 HydrophobicContact CG-CG 4.11Å; H241-P252 WeakPolarHBondContact O-CA 3.33Å; H241-P252 WeakPolarHBondContact O-CB 2.87Å; P252-I254 PolarHBondContact O-N 2.99Å |
| 253 | I | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122 | 169.8 | -68.6 | 169.7 | 0 | 0 | 0 | 108 | H241 A243 C245 F256 R257 D267 C269 | H241-I253 HydrophobicContact CB-CB 4.31Å; H241-I253 PolarHBondContact N-O 3.05Å; H241-I253 PolarHBondContact O-N 3.46Å; A243-I253 HydrophobicContact CB-CD1 4.19Å; A243-I253 WeakPolarHBondContact O-CG1 3.18Å; A243-I253 PolarHBondContact O-N 3.45Å; C245-I253 HydrophobicContact CB-CD1 4.2Å; C245-I253 HydrophobicContact CB-CG1 4.28Å; I253-F256 WeakPolarHBondContact CG2-O 3.24Å; I253-R257 HydrophobicContact CD1-CG 4.31Å; I253-R257 HydrophobicContact CG2-CB 4.2Å; I253-D267 HydrophobicContact CD1-CB 4.22Å; I253-C269 HydrophobicContact CD1-CB 4.34Å; I253-C269 HydrophobicContact CG1-CB 4.02Å; I253-C269 HydrophobicContact CG2-CB 3.93Å |
| 254 | I | 93.9 | Very high | 92.6 | Very high | 107 Ų | 107 | 43.7 Ų | 43.7 | 55% | 0.549 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.9 | 172.7 | -55.1 | 174.7 | 0 | 0 | 0 | 108 | A239 P252 | A239-I254 WeakPolarHBondContact O-CA 3.31Å; P252-I254 PolarHBondContact O-N 2.99Å |
| 255 | G | 94.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 89.1 | -151.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A236 A239 H241 | A236-G255 WeakPolarHBondContact O-CA 3.19Å; A239-G255 PolarHBondContact O-N 2.98Å; H241-G255 PolarHBondContact CD2-O 3.3Å; H241-G255 PolarHBondContact NE2-O 3.48Å |
| 256 | F | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | trans | -64 | 138.4 | 175.9 | -71.9 | -80 | 0 | 0 | 0 | 113 | Y38 R232 V233 A236 I253 Y258 Q270 F274 E290 Y291 C292 | Y38-F256 HydrophobicContact CD1-CE2 4.19Å; Y38-F256 HydrophobicContact CD1-CZ 4.29Å; Y38-F256 HydrophobicContact CE1-CE1 4.24Å; Y38-F256 HydrophobicContact CE1-CE2 4.13Å; Y38-F256 AromaticContact CE1-CZ 3.87Å; Y38-F256 HydrophobicContact CE1-CZ 3.87Å; R232-F256 VanDerWaalsContact C-CZ 3.42Å; R232-F256 HydrophobicContact CB-CE1 3.84Å; R232-F256 HydrophobicContact CB-CZ 3.77Å; R232-F256 WeakPolarHBondContact O-CZ 3.08Å; V233-F256 HydrophobicContact CB-CE2 4.44Å; V233-F256 HydrophobicContact CG2-CE2 3.91Å; V233-F256 HydrophobicContact CG2-CZ 4.14Å; A236-F256 HydrophobicContact CB-CD1 3.99Å; A236-F256 HydrophobicContact CB-CD2 3.7Å; A236-F256 HydrophobicContact CB-CE1 4.02Å; A236-F256 HydrophobicContact CB-CE2 3.69Å; A236-F256 HydrophobicContact CB-CG 3.86Å; A236-F256 HydrophobicContact CB-CZ 3.87Å; I253-F256 WeakPolarHBondContact CG2-O 3.24Å; F256-Y258 HydrophobicContact CB-CD2 4.28Å; F256-Y258 HydrophobicContact CB-CE2 3.47Å; F256-Y258 VanDerWaalsContact CB-CE2 3.47Å; F256-Y258 HydrophobicContact CG-CE2 4.26Å; F256-Y258 WeakPolarHBondContact CG-OH 3.01Å; F256-Q270 HydrophobicContact CB-CB 4.07Å; F256-Q270 HydrophobicContact CB-CG 4.33Å; F256-Q270 HydrophobicContact CD2-CG 4.13Å; F256-Q270 PolarHBondContact O-N 2.74Å; F256-F274 AromaticContact CD2-CZ 3.89Å; F256-F274 HydrophobicContact CD2-CZ 3.89Å; F256-F274 HydrophobicContact CE2-CZ 4.14Å; F256-E290 HydrophobicContact CD1-CG 3.64Å; F256-E290 VanDerWaalsContact CD1-OE2 3.31Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.37Å; F256-E290 HydrophobicContact CE1-CG 3.91Å; F256-E290 VanDerWaalsContact CE1-OE2 3.24Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.29Å; F256-Y291 WeakPolarHBondContact CA-O 3.49Å; F256-C292 HydrophobicContact CD1-CB 3.85Å; F256-C292 HydrophobicContact CE1-CB 3.58Å; F256-C292 HydrophobicContact CZ-CB 4.46Å | ||
| 257 | R | 94.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 125.9 | 165.1 | 174.8 | -171.5 | 177.9 | -173.5 | 7.1 | 109.6 | H241 I253 D267 Y291 T295 | H241-R257 HydrophobicContact CB-CB 4.38Å; I253-R257 HydrophobicContact CD1-CG 4.31Å; I253-R257 HydrophobicContact CG2-CB 4.2Å; R257-D267 IonicContact CZ-OD1 3Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 2.89Å; R257-D267 IonicContact NE-OD1 3.97Å; R257-D267 PolarHBondContact NE-OD1 2.81Å; R257-D267 IonicContact NE-OD2 3.28Å; R257-D267 IonicContact NH2-OD1 2.74Å; R257-D267 PolarHBondContact NH2-OD1 2.73Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; R257-Y291 HydrophobicContact CB-CD2 4.28Å; R257-Y291 HydrophobicContact CG-CD2 4.06Å; R257-Y291 PolarHBondContact N-O 2.83Å; R257-Y291 WeakPolarHBondContact O-CD2 3.47Å; R257-Y291 PolarHBondContact O-N 2.8Å; R257-T295 PolarHBondContact NH1-OG1 2.76Å |
| 258 | Y | 92.6 | Very high | 91.7 | 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 | -109 | 116 | 173.9 | -61.7 | -84.3 | 0 | 0 | 0 | 110.3 | Y38 F256 D267 I268 F273 F274 M288 V289 E290 | Y38-Y258 WeakPolarHBondContact CE1-OH 3.3Å; F256-Y258 HydrophobicContact CB-CD2 4.28Å; F256-Y258 HydrophobicContact CB-CE2 3.47Å; F256-Y258 VanDerWaalsContact CB-CE2 3.47Å; F256-Y258 HydrophobicContact CG-CE2 4.26Å; F256-Y258 WeakPolarHBondContact CG-OH 3.01Å; Y258-D267 CarbonylContact O-C 3.58Å; Y258-D267 WeakPolarHBondContact O-CA 3.5Å; Y258-I268 PolarHBondContact N-O 3.34Å; Y258-I268 PolarHBondContact O-N 3.27Å; Y258-F273 AromaticContact CD1-CD1 3.9Å; Y258-F273 HydrophobicContact CD1-CD1 3.9Å; Y258-F273 HydrophobicContact CD1-CD2 4.13Å; Y258-F273 AromaticContact CD1-CE1 3.85Å; Y258-F273 HydrophobicContact CD1-CE1 3.85Å; Y258-F273 HydrophobicContact CD1-CE2 4.07Å; Y258-F273 HydrophobicContact CD1-CG 4.05Å; Y258-F273 AromaticContact CD1-CZ 3.94Å; Y258-F273 HydrophobicContact CD1-CZ 3.94Å; Y258-F273 HydrophobicContact CD2-CB 3.37Å; Y258-F273 AromaticContact CD2-CD1 3.63Å; Y258-F273 HydrophobicContact CD2-CD1 3.63Å; Y258-F273 AromaticContact CD2-CD2 3.97Å; Y258-F273 HydrophobicContact CD2-CD2 3.97Å; Y258-F273 HydrophobicContact CD2-CE1 4.41Å; Y258-F273 AromaticContact CD2-CG 3.37Å; Y258-F273 HydrophobicContact CD2-CG 3.37Å; Y258-F273 AromaticContact CE1-CD1 3.6Å; Y258-F273 HydrophobicContact CE1-CD1 3.6Å; Y258-F273 AromaticContact CE1-CE1 3.48Å; Y258-F273 HydrophobicContact CE1-CE1 3.48Å; Y258-F273 VanDerWaalsContact CE1-CE1 3.48Å; Y258-F273 HydrophobicContact CE1-CG 4.21Å; Y258-F273 AromaticContact CE1-CZ 3.99Å; Y258-F273 HydrophobicContact CE1-CZ 3.99Å; Y258-F273 HydrophobicContact CE2-CB 3.61Å; Y258-F273 AromaticContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD2 4.48Å; Y258-F273 HydrophobicContact CE2-CE1 4.08Å; Y258-F273 AromaticContact CE2-CG 3.54Å; Y258-F273 HydrophobicContact CE2-CG 3.54Å; Y258-F273 HydrophobicContact CG-CB 4.09Å; Y258-F273 AromaticContact CG-CD1 3.92Å; Y258-F273 HydrophobicContact CG-CD1 3.92Å; Y258-F273 AromaticContact CG-CD2 3.78Å; Y258-F273 HydrophobicContact CG-CD2 3.78Å; Y258-F273 HydrophobicContact CG-CE1 4.31Å; Y258-F273 HydrophobicContact CG-CE2 4.18Å; Y258-F273 AromaticContact CG-CG 3.65Å; Y258-F273 HydrophobicContact CG-CG 3.65Å; Y258-F273 HydrophobicContact CG-CZ 4.43Å; Y258-F273 AromaticContact CZ-CD1 3.3Å; Y258-F273 AromaticContact CZ-CE1 3.63Å; Y258-F273 AromaticContact CZ-CG 3.99Å; Y258-F274 HydrophobicContact CE2-CE1 4.25Å; Y258-F274 VanDerWaalsContact OH-CE1 3.26Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.43Å; Y258-M288 VanDerWaalsContact C-CE 3.5Å; Y258-M288 VanDerWaalsContact O-CE 3.29Å; Y258-M288 WeakPolarHBondContact O-CE 3.44Å; Y258-V289 CarbonylContact C-O 3.57Å; Y258-V289 WeakPolarHBondContact CA-O 3.47Å; Y258-E290 HydrophobicContact CD1-CB 4.12Å; Y258-E290 HydrophobicContact CD1-CG 4.44Å; Y258-E290 HydrophobicContact CE1-CB 3.89Å; Y258-E290 HydrophobicContact CE1-CG 3.85Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.38Å; Y258-E290 PolarHBondContact OH-OE2 3.11Å |
| 259 | R | 90.5 | Very high | 91.6 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 13% | 0.132 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.9 | 178.7 | -171.3 | 174.5 | -137.4 | 178.4 | 6 | 111.9 | L261 N265 Y266 D267 M288 V289 Y291 D300 | R259-L261 PolarHBondContact O-N 2.94Å; R259-N265 PolarHBondContact NH2-OD1 3.34Å; R259-Y266 WeakPolarHBondContact CA-O 3.4Å; R259-D267 WeakPolarHBondContact CB-OD1 3.26Å; R259-D267 WeakPolarHBondContact CG-OD1 3.45Å; R259-D267 IonicContact NE-OD1 3.19Å; R259-D267 IonicContact NE-OD2 3.86Å; R259-M288 CarbonylContact O-C 3.55Å; R259-M288 VanDerWaalsContact O-CA 3.25Å; R259-M288 WeakPolarHBondContact O-CA 3.42Å; R259-V289 PolarHBondContact N-O 3.39Å; R259-V289 PolarHBondContact O-N 3.11Å; R259-Y291 HydrophobicContact CB-CE2 3.68Å; R259-D300 IonicContact CZ-OD1 2.7Å; R259-D300 IonicContact NH1-OD1 3.03Å; R259-D300 PolarHBondContact NH1-OD1 2.96Å; R259-D300 IonicContact NH2-OD1 3.58Å |
| 260 | S | 89.3 | Confident | 91.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 130.4 | 176.2 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | K262 H263 Y266 H282 M288 | S260-K262 VanDerWaalsContact C-N 3.26Å; S260-K262 PolarHBondContact OG-N 2.86Å; S260-H263 PolarHBondContact OG-N 3.41Å; S260-H263 VanDerWaalsContact OG-N 3.13Å; S260-Y266 PolarHBondContact N-O 3.29Å; S260-H282 PolarHBondContact OG-NE2 3.38Å; S260-H282 VanDerWaalsContact OG-NE2 3.11Å; S260-M288 WeakPolarHBondContact CA-SD 3.48Å |
| 261 | L | 85.4 | Confident | 91.4 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -87.3 | 3.7 | 168.2 | -66.7 | -179.1 | 0 | 0 | 0 | 112.7 | R259 P287 V289 D303 K306 V307 N310 | R259-L261 PolarHBondContact O-N 2.94Å; L261-P287 HydrophobicContact CB-CB 4.11Å; L261-P287 HydrophobicContact CB-CG 3.96Å; L261-P287 WeakPolarHBondContact CB-O 3.39Å; L261-P287 HydrophobicContact CD1-CB 4.3Å; L261-P287 PolarHBondContact N-O 3.25Å; L261-V289 HydrophobicContact CD1-CG2 3.64Å; L261-V289 HydrophobicContact CD2-CG2 3.5Å; L261-V289 HydrophobicContact CG-CG2 3.62Å; L261-D303 HydrophobicContact CD2-CB 4.42Å; L261-K306 HydrophobicContact CD2-CB 4.01Å; L261-K306 HydrophobicContact CD2-CD 4.42Å; L261-V307 HydrophobicContact CD2-CG2 4.21Å; L261-N310 WeakPolarHBondContact CB-ND2 3.19Å; L261-N310 VanDerWaalsContact O-CB 3.24Å; L261-N310 WeakPolarHBondContact O-CB 3.46Å; L261-N310 PolarHBondContact O-ND2 3.39Å |
| 262 | K | 84.1 | Confident | 91.3 | Very high | 43 Ų | 43 | 30.4 Ų | 30.4 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -110.5 | -46.2 | 176.4 | -171.8 | 178 | -179.8 | 176.3 | 0 | 112.2 | S260 Y286 | S260-K262 VanDerWaalsContact C-N 3.26Å; S260-K262 PolarHBondContact OG-N 2.86Å; K262-Y286 HydrophobicContact CB-CD2 4.4Å; K262-Y286 HydrophobicContact CB-CG 4.34Å; K262-Y286 HydrophobicContact CD-CD1 3.62Å; K262-Y286 HydrophobicContact CD-CD2 3.65Å; K262-Y286 HydrophobicContact CD-CE1 3.66Å; K262-Y286 HydrophobicContact CD-CE2 3.69Å; K262-Y286 HydrophobicContact CD-CG 3.62Å; K262-Y286 PolarHBondContact NZ-OH 2.82Å |
| 263 | H | 83.8 | Confident | 91.2 | Very high | 51 Ų | 51 | 28.7 Ų | 28.7 | 24% | 0.236 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -96.8 | 128.1 | 178.9 | -65.2 | 169.1 | 0 | 0 | 0 | 110.1 | S260 N265 Y266 H282 Y286 | S260-H263 PolarHBondContact OG-N 3.41Å; S260-H263 VanDerWaalsContact OG-N 3.13Å; H263-N265 PolarHBondContact O-N 2.91Å; H263-Y266 HydrophobicContact CB-CD2 4.21Å; H263-Y266 HydrophobicContact CB-CG 4.09Å; H263-H282 AromaticContact ND1-CD2 3.57Å; H263-Y286 AromaticContact CE1-CE2 3.78Å; H263-Y286 AromaticContact NE2-CE2 3.74Å |
| 264 | F | 82.2 | Confident | 91 | Very high | 125 Ų | 125 | 29.1 Ų | 29.1 | 55% | 0.548 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 134.4 | 178.2 | 179.5 | -103.7 | 0 | 0 | 0 | 110.6 | Y266 F304 | F264-Y266 VanDerWaalsContact C-N 3.26Å; F264-Y266 PolarHBondContact O-N 2.98Å; F264-F304 HydrophobicContact CD2-CD2 4.21Å; F264-F304 HydrophobicContact CD2-CE2 4.13Å; F264-F304 AromaticContact CE2-CD2 3.65Å; F264-F304 HydrophobicContact CE2-CD2 3.65Å; F264-F304 AromaticContact CE2-CE2 3.55Å; F264-F304 HydrophobicContact CE2-CE2 3.55Å; F264-F304 HydrophobicContact CZ-CE2 4.44Å |
| 265 | N | 85.1 | Confident | 90.7 | Very high | 89 Ų | 89 | 26.7 Ų | 26.7 | 48% | 0.476 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 45.7 | 179 | -154.4 | 32.7 | 0 | 0 | 0 | 113.8 | N246 R259 H263 | N246-N265 PolarHBondContact ND2-O 3.26Å; R259-N265 PolarHBondContact NH2-OD1 3.34Å; H263-N265 PolarHBondContact O-N 2.91Å |
| 266 | Y | 91.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | trans | -111.5 | 103.7 | 177.9 | -165 | -74.6 | 0 | 0 | 0 | 109.8 | N246 R259 S260 H263 F264 I268 A279 K280 H282 | N246-Y266 HydrophobicContact CB-CD1 4.3Å; N246-Y266 HydrophobicContact CB-CD2 4.04Å; N246-Y266 HydrophobicContact CB-CE1 4.11Å; N246-Y266 HydrophobicContact CB-CE2 3.86Å; N246-Y266 HydrophobicContact CB-CG 4.26Å; R259-Y266 WeakPolarHBondContact CA-O 3.4Å; S260-Y266 PolarHBondContact N-O 3.29Å; H263-Y266 HydrophobicContact CB-CD2 4.21Å; H263-Y266 HydrophobicContact CB-CG 4.09Å; F264-Y266 VanDerWaalsContact C-N 3.26Å; F264-Y266 PolarHBondContact O-N 2.98Å; Y266-I268 HydrophobicContact CD1-CD1 4.31Å; Y266-I268 HydrophobicContact CD1-CG1 3.97Å; Y266-I268 HydrophobicContact CE1-CD1 3.72Å; Y266-I268 HydrophobicContact CE1-CG1 3.58Å; Y266-A279 PolarHBondContact OH-N 3.31Å; Y266-A279 PolarHBondContact OH-O 2.92Å; Y266-K280 HydrophobicContact CE2-CB 4.24Å; Y266-H282 AromaticContact CD1-CD2 3.81Å; Y266-H282 HydrophobicContact CE1-CB 3.83Å; Y266-H282 AromaticContact CE1-CD2 3.8Å; Y266-H282 AromaticContact CE1-CG 3.66Å; Y266-H282 HydrophobicContact CE2-CB 3.97Å; Y266-H282 VanDerWaalsContact CZ-CB 3.48Å; Y266-H282 AromaticContact CZ-CG 3.87Å; Y266-H282 WeakPolarHBondContact OH-CB 3.15Å | ||
| 267 | D | 93.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142 | -177.9 | -69.7 | -66 | 0 | 0 | 0 | 110.8 | A243 N246 I253 R257 Y258 R259 | A243-D267 HydrophobicContact CB-CB 4.5Å; N246-D267 WeakPolarHBondContact CB-O 3.31Å; N246-D267 PolarHBondContact N-O 3.36Å; N246-D267 PolarHBondContact OD1-N 3.43Å; N246-D267 PolarHBondContact OD1-O 2.96Å; N246-D267 VanDerWaalsContact OD1-O 3.11Å; I253-D267 HydrophobicContact CD1-CB 4.22Å; R257-D267 IonicContact CZ-OD1 3Å; R257-D267 VanDerWaalsContact CZ-OD1 3.28Å; R257-D267 IonicContact CZ-OD2 2.89Å; R257-D267 IonicContact NE-OD1 3.97Å; R257-D267 PolarHBondContact NE-OD1 2.81Å; R257-D267 IonicContact NE-OD2 3.28Å; R257-D267 IonicContact NH2-OD1 2.74Å; R257-D267 PolarHBondContact NH2-OD1 2.73Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; Y258-D267 CarbonylContact O-C 3.58Å; Y258-D267 WeakPolarHBondContact O-CA 3.5Å; R259-D267 WeakPolarHBondContact CB-OD1 3.26Å; R259-D267 WeakPolarHBondContact CG-OD1 3.45Å; R259-D267 IonicContact NE-OD1 3.19Å; R259-D267 IonicContact NE-OD2 3.86Å |
| 268 | I | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.8 | 178.8 | -48.1 | 178.4 | 0 | 0 | 0 | 107.7 | I247 Y258 Y266 C272 F273 M284 M288 | I247-I268 HydrophobicContact CD1-CD1 4.33Å; I247-I268 HydrophobicContact CD1-CG1 4.4Å; I247-I268 HydrophobicContact CD1-CG2 3.9Å; I247-I268 HydrophobicContact CG1-CG2 4.49Å; Y258-I268 PolarHBondContact N-O 3.34Å; Y258-I268 PolarHBondContact O-N 3.27Å; Y266-I268 HydrophobicContact CD1-CD1 4.31Å; Y266-I268 HydrophobicContact CD1-CG1 3.97Å; Y266-I268 HydrophobicContact CE1-CD1 3.72Å; Y266-I268 HydrophobicContact CE1-CG1 3.58Å; I268-C272 HydrophobicContact CG2-CB 3.55Å; I268-F273 HydrophobicContact CG2-CB 4.02Å; I268-M284 HydrophobicContact CD1-CE 4.35Å; I268-M288 HydrophobicContact CD1-CE 3.67Å; I268-M288 HydrophobicContact CG1-CE 3.99Å |
| 269 | C | 95.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 160.6 | 173.5 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | C245 I253 S271 C272 F273 | C245-C269 HydrophobicContact CB-CB 4.05Å; C245-C269 PolarHBondContact SG-N 2.84Å; C245-C269 VanDerWaalsContact SG-N 3.37Å; C245-C269 VanDerWaalsContact SG-SG 3.67Å; I253-C269 HydrophobicContact CD1-CB 4.34Å; I253-C269 HydrophobicContact CG1-CB 4.02Å; I253-C269 HydrophobicContact CG2-CB 3.93Å; C269-S271 VanDerWaalsContact C-N 3.34Å; C269-S271 PolarHBondContact O-N 2.76Å; C269-C272 PolarHBondContact O-N 3.16Å; C269-C272 VanDerWaalsContact SG-SG 3.64Å; C269-F273 PolarHBondContact O-N 2.94Å |
| 270 | Q | 94.2 | Very high | 89.3 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -43.6 | -54 | 174.8 | -174.9 | 178.3 | -55.8 | 0 | 0 | 113.7 | F256 C272 F273 F274 | F256-Q270 HydrophobicContact CB-CB 4.07Å; F256-Q270 HydrophobicContact CB-CG 4.33Å; F256-Q270 HydrophobicContact CD2-CG 4.13Å; F256-Q270 PolarHBondContact O-N 2.74Å; Q270-C272 PolarHBondContact O-N 3.39Å; Q270-F273 PolarHBondContact O-N 3.06Å; Q270-F274 HydrophobicContact CG-CD2 3.63Å; Q270-F274 HydrophobicContact CG-CE1 4.42Å; Q270-F274 HydrophobicContact CG-CE2 3.3Å; Q270-F274 HydrophobicContact CG-CG 4.31Å; Q270-F274 HydrophobicContact CG-CZ 3.74Å; Q270-F274 WeakPolarHBondContact O-CB 3.26Å; Q270-F274 WeakPolarHBondContact O-CG 3.48Å; Q270-F274 PolarHBondContact O-N 3.26Å |
| 271 | S | 93.4 | Very high | 88.9 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 47% | 0.469 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | -176.8 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | C269 S275 | C269-S271 VanDerWaalsContact C-N 3.34Å; C269-S271 PolarHBondContact O-N 2.76Å; S271-S275 VanDerWaalsContact O-CB 3.26Å; S271-S275 WeakPolarHBondContact O-CB 3.48Å; S271-S275 PolarHBondContact O-N 2.81Å; S271-S275 VanDerWaalsContact O-N 3.1Å; S271-S275 PolarHBondContact O-OG 3.22Å |
| 272 | C | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.6 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | I247 C248 I268 C269 Q270 G276 R277 | I247-C272 HydrophobicContact CB-CB 4.14Å; I247-C272 HydrophobicContact CD1-CB 4.11Å; I247-C272 HydrophobicContact CG2-CB 4.3Å; C248-C272 VanDerWaalsContact SG-SG 3.67Å; I268-C272 HydrophobicContact CG2-CB 3.55Å; C269-C272 PolarHBondContact O-N 3.16Å; C269-C272 VanDerWaalsContact SG-SG 3.64Å; Q270-C272 PolarHBondContact O-N 3.39Å; C272-G276 PolarHBondContact O-N 3.04Å; C272-R277 HydrophobicContact CB-CB 4.4Å; C272-R277 PolarHBondContact O-N 3.05Å |
| 273 | F | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.1 | -52.6 | 178.5 | -173.5 | -104.6 | 0 | 0 | 0 | 111 | F35 Y258 I268 C269 Q270 S275 G276 M284 M288 M324 Y326 | F35-F273 HydrophobicContact CD2-CD1 4.07Å; F35-F273 AromaticContact CD2-CE1 3.78Å; F35-F273 HydrophobicContact CD2-CE1 3.78Å; F35-F273 HydrophobicContact CD2-CZ 4.49Å; F35-F273 AromaticContact CE2-CD1 3.6Å; F35-F273 HydrophobicContact CE2-CD1 3.6Å; F35-F273 AromaticContact CE2-CE1 3.32Å; F35-F273 HydrophobicContact CE2-CE1 3.32Å; F35-F273 HydrophobicContact CE2-CE2 4.29Å; F35-F273 HydrophobicContact CE2-CG 4.18Å; F35-F273 AromaticContact CE2-CZ 3.7Å; F35-F273 HydrophobicContact CE2-CZ 3.7Å; F35-F273 VanDerWaalsContact CE2-O 3.31Å; F35-F273 WeakPolarHBondContact CE2-O 3.45Å; F35-F273 HydrophobicContact CZ-CD1 4.44Å; F35-F273 AromaticContact CZ-CE1 3.84Å; F35-F273 HydrophobicContact CZ-CE1 3.84Å; F35-F273 HydrophobicContact CZ-CE2 4.25Å; F35-F273 AromaticContact CZ-CZ 3.73Å; F35-F273 HydrophobicContact CZ-CZ 3.73Å; Y258-F273 AromaticContact CD1-CD1 3.9Å; Y258-F273 HydrophobicContact CD1-CD1 3.9Å; Y258-F273 HydrophobicContact CD1-CD2 4.13Å; Y258-F273 AromaticContact CD1-CE1 3.85Å; Y258-F273 HydrophobicContact CD1-CE1 3.85Å; Y258-F273 HydrophobicContact CD1-CE2 4.07Å; Y258-F273 HydrophobicContact CD1-CG 4.05Å; Y258-F273 AromaticContact CD1-CZ 3.94Å; Y258-F273 HydrophobicContact CD1-CZ 3.94Å; Y258-F273 HydrophobicContact CD2-CB 3.37Å; Y258-F273 AromaticContact CD2-CD1 3.63Å; Y258-F273 HydrophobicContact CD2-CD1 3.63Å; Y258-F273 AromaticContact CD2-CD2 3.97Å; Y258-F273 HydrophobicContact CD2-CD2 3.97Å; Y258-F273 HydrophobicContact CD2-CE1 4.41Å; Y258-F273 AromaticContact CD2-CG 3.37Å; Y258-F273 HydrophobicContact CD2-CG 3.37Å; Y258-F273 AromaticContact CE1-CD1 3.6Å; Y258-F273 HydrophobicContact CE1-CD1 3.6Å; Y258-F273 AromaticContact CE1-CE1 3.48Å; Y258-F273 HydrophobicContact CE1-CE1 3.48Å; Y258-F273 VanDerWaalsContact CE1-CE1 3.48Å; Y258-F273 HydrophobicContact CE1-CG 4.21Å; Y258-F273 AromaticContact CE1-CZ 3.99Å; Y258-F273 HydrophobicContact CE1-CZ 3.99Å; Y258-F273 HydrophobicContact CE2-CB 3.61Å; Y258-F273 AromaticContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD2 4.48Å; Y258-F273 HydrophobicContact CE2-CE1 4.08Å; Y258-F273 AromaticContact CE2-CG 3.54Å; Y258-F273 HydrophobicContact CE2-CG 3.54Å; Y258-F273 HydrophobicContact CG-CB 4.09Å; Y258-F273 AromaticContact CG-CD1 3.92Å; Y258-F273 HydrophobicContact CG-CD1 3.92Å; Y258-F273 AromaticContact CG-CD2 3.78Å; Y258-F273 HydrophobicContact CG-CD2 3.78Å; Y258-F273 HydrophobicContact CG-CE1 4.31Å; Y258-F273 HydrophobicContact CG-CE2 4.18Å; Y258-F273 AromaticContact CG-CG 3.65Å; Y258-F273 HydrophobicContact CG-CG 3.65Å; Y258-F273 HydrophobicContact CG-CZ 4.43Å; Y258-F273 AromaticContact CZ-CD1 3.3Å; Y258-F273 AromaticContact CZ-CE1 3.63Å; Y258-F273 AromaticContact CZ-CG 3.99Å; I268-F273 HydrophobicContact CG2-CB 4.02Å; C269-F273 PolarHBondContact O-N 2.94Å; Q270-F273 PolarHBondContact O-N 3.06Å; F273-S275 VanDerWaalsContact C-N 3.27Å; F273-S275 PolarHBondContact O-N 2.97Å; F273-G276 WeakPolarHBondContact O-CA 3.4Å; F273-G276 PolarHBondContact O-N 3.41Å; F273-M284 HydrophobicContact CD2-CE 4.17Å; F273-M284 HydrophobicContact CD2-SD 3.98Å; F273-M284 HydrophobicContact CE2-SD 3.94Å; F273-M288 HydrophobicContact CE2-CG 4.39Å; F273-M324 HydrophobicContact CZ-CE 4.02Å; F273-Y326 HydrophobicContact CE1-CE2 4.19Å; F273-Y326 HydrophobicContact CZ-CE2 4.12Å |
| 274 | F | 91.1 | Very high | 88.5 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -31 | -179.1 | -69.8 | -4.8 | 0 | 0 | 0 | 113.6 | V33 R34 F35 Y38 M42 F256 Y258 Q270 G276 | V33-F274 HydrophobicContact CG1-CB 4.12Å; V33-F274 HydrophobicContact CG1-CD2 4.13Å; V33-F274 HydrophobicContact CG1-CG 4.06Å; V33-F274 HydrophobicContact CG2-CD2 4.39Å; R34-F274 VanDerWaalsContact CB-O 3.23Å; R34-F274 WeakPolarHBondContact CB-O 3.29Å; R34-F274 PolarHBondContact N-O 2.86Å; F35-F274 HydrophobicContact CD2-CD1 4.16Å; Y38-F274 AromaticContact CD1-CE1 3.56Å; Y38-F274 HydrophobicContact CD1-CE1 3.56Å; Y38-F274 HydrophobicContact CD1-CE2 4.45Å; Y38-F274 AromaticContact CD1-CZ 3.36Å; Y38-F274 HydrophobicContact CD1-CZ 3.36Å; Y38-F274 AromaticContact CD2-CE1 3.91Å; Y38-F274 HydrophobicContact CD2-CE1 3.91Å; Y38-F274 HydrophobicContact CD2-CZ 4.47Å; Y38-F274 HydrophobicContact CE1-CE1 4.03Å; Y38-F274 HydrophobicContact CE1-CZ 4.05Å; Y38-F274 HydrophobicContact CE2-CE1 4.34Å; Y38-F274 HydrophobicContact CG-CD1 4.38Å; Y38-F274 AromaticContact CG-CE1 3.49Å; Y38-F274 HydrophobicContact CG-CE1 3.49Å; Y38-F274 VanDerWaalsContact CG-CE1 3.49Å; Y38-F274 AromaticContact CG-CZ 3.61Å; Y38-F274 HydrophobicContact CG-CZ 3.61Å; M42-F274 HydrophobicContact CE-CE2 4.46Å; M42-F274 HydrophobicContact SD-CD2 3.83Å; M42-F274 HydrophobicContact SD-CE2 3.51Å; M42-F274 VanDerWaalsContact SD-CE2 3.51Å; F256-F274 AromaticContact CD2-CZ 3.89Å; F256-F274 HydrophobicContact CD2-CZ 3.89Å; F256-F274 HydrophobicContact CE2-CZ 4.14Å; Y258-F274 HydrophobicContact CE2-CE1 4.25Å; Y258-F274 VanDerWaalsContact OH-CE1 3.26Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.43Å; Q270-F274 HydrophobicContact CG-CD2 3.63Å; Q270-F274 HydrophobicContact CG-CE1 4.42Å; Q270-F274 HydrophobicContact CG-CE2 3.3Å; Q270-F274 HydrophobicContact CG-CG 4.31Å; Q270-F274 HydrophobicContact CG-CZ 3.74Å; Q270-F274 WeakPolarHBondContact O-CB 3.26Å; Q270-F274 WeakPolarHBondContact O-CG 3.48Å; Q270-F274 PolarHBondContact O-N 3.26Å; F274-G276 PolarHBondContact O-N 3.5Å |
| 275 | S | 88.4 | Confident | 88.3 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 40% | 0.399 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.5 | 172.7 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | S271 F273 R277 | S271-S275 VanDerWaalsContact O-CB 3.26Å; S271-S275 WeakPolarHBondContact O-CB 3.48Å; S271-S275 PolarHBondContact O-N 2.81Å; S271-S275 VanDerWaalsContact O-N 3.1Å; S271-S275 PolarHBondContact O-OG 3.22Å; F273-S275 VanDerWaalsContact C-N 3.27Å; F273-S275 PolarHBondContact O-N 2.97Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.27Å |
| 276 | G | 87.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 21.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C272 F273 F274 | C272-G276 PolarHBondContact O-N 3.04Å; F273-G276 WeakPolarHBondContact O-CA 3.4Å; F273-G276 PolarHBondContact O-N 3.41Å; F274-G276 PolarHBondContact O-N 3.5Å |
| 277 | R | 89.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 46.8 Ų | 46.8 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | trans | -68.5 | 142.2 | 179.9 | -62.5 | -179.2 | -168.3 | -173.7 | 2.8 | 110 | I247 C272 S275 M284 | I247-R277 HydrophobicContact CD1-CB 4.1Å; I247-R277 WeakPolarHBondContact CD1-O 3.41Å; I247-R277 HydrophobicContact CG2-CB 3.96Å; C272-R277 HydrophobicContact CB-CB 4.4Å; C272-R277 PolarHBondContact O-N 3.05Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.27Å; R277-M284 WeakPolarHBondContact O-CE 3.47Å | ||
| 278 | V | 87.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 47.2 Ų | 47.2 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | trans | -130.4 | 149.7 | 177.1 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | H282 M284 | V278-H282 WeakPolarHBondContact CB-O 3.25Å; V278-M284 HydrophobicContact CG1-CE 4.09Å; V278-M284 HydrophobicContact CG1-CG 3.8Å | ||
| 279 | A | 89.1 | Confident | 86.7 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 25% | 0.248 | 26% | 0.263 | C | S | . | . | trans | -146.1 | 159.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I247 Y266 G281 H282 | I247-A279 HydrophobicContact CG1-CB 3.97Å; Y266-A279 PolarHBondContact OH-N 3.31Å; Y266-A279 PolarHBondContact OH-O 2.92Å; A279-G281 VanDerWaalsContact C-N 3.29Å; A279-G281 PolarHBondContact O-N 3.19Å; A279-H282 WeakPolarHBondContact O-CB 3.24Å; A279-H282 PolarHBondContact O-N 2.89Å; A279-H282 VanDerWaalsContact O-N 3.09Å | ||
| 280 | K | 84 | Confident | 86.4 | Confident | 153 Ų | 153 | 50 Ų | 50 | 67% | 0.665 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.7 | 174.2 | -53.5 | -176.7 | 172.8 | -169.1 | 0 | 113.8 | Y266 H282 | Y266-K280 HydrophobicContact CE2-CB 4.24Å; K280-H282 PolarHBondContact O-N 3.27Å; K280-H282 VanDerWaalsContact O-N 3.11Å |
| 281 | G | 80.5 | Confident | 86.1 | Confident | 61 Ų | 61 | 48.3 Ų | 48.3 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 8.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A279 | A279-G281 VanDerWaalsContact C-N 3.29Å; A279-G281 PolarHBondContact O-N 3.19Å |
| 282 | H | 84.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | trans | -67.6 | 138 | 170.8 | -171 | -87.5 | 0 | 0 | 0 | 110.2 | S260 H263 Y266 V278 A279 K280 Y286 M288 | S260-H282 PolarHBondContact OG-NE2 3.38Å; S260-H282 VanDerWaalsContact OG-NE2 3.11Å; H263-H282 AromaticContact ND1-CD2 3.57Å; Y266-H282 AromaticContact CD1-CD2 3.81Å; Y266-H282 HydrophobicContact CE1-CB 3.83Å; Y266-H282 AromaticContact CE1-CD2 3.8Å; Y266-H282 AromaticContact CE1-CG 3.66Å; Y266-H282 HydrophobicContact CE2-CB 3.97Å; Y266-H282 VanDerWaalsContact CZ-CB 3.48Å; Y266-H282 AromaticContact CZ-CG 3.87Å; Y266-H282 WeakPolarHBondContact OH-CB 3.15Å; V278-H282 WeakPolarHBondContact CB-O 3.25Å; A279-H282 WeakPolarHBondContact O-CB 3.24Å; A279-H282 PolarHBondContact O-N 2.89Å; A279-H282 VanDerWaalsContact O-N 3.09Å; K280-H282 PolarHBondContact O-N 3.27Å; K280-H282 VanDerWaalsContact O-N 3.11Å; H282-Y286 AromaticContact CD2-CD2 3.84Å; H282-Y286 AromaticContact NE2-CD2 3.92Å; H282-M288 PolarHBondContact CE1-SD 3.39Å; H282-M288 PolarHBondContact NE2-SD 2.8Å; H282-M288 VanDerWaalsContact NE2-SD 3.39Å | ||
| 283 | K | 82.6 | Confident | 85.4 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | trans | -112.5 | 139.5 | 175.2 | -65.6 | -168.5 | 176 | -163.4 | 0 | 109.3 | Q285 Y286 | K283-Q285 PolarHBondContact O-N 3.26Å; K283-Q285 VanDerWaalsContact O-N 3.14Å; K283-Y286 HydrophobicContact CB-CD1 4.17Å; K283-Y286 HydrophobicContact CB-CD2 4.12Å; K283-Y286 HydrophobicContact CB-CE1 3.98Å; K283-Y286 HydrophobicContact CB-CE2 3.94Å; K283-Y286 HydrophobicContact CB-CG 4.24Å; K283-Y286 HydrophobicContact CD-CE1 4.31Å; K283-Y286 HydrophobicContact CG-CE1 4.36Å; K283-Y286 HydrophobicContact CG-CE2 4.19Å; K283-Y286 WeakPolarHBondContact O-CB 3.47Å; K283-Y286 PolarHBondContact O-N 3.36Å | ||
| 284 | M | 78.1 | Confident | 84.8 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.3 | -179.6 | -82.9 | -65.9 | 165.5 | 0 | 0 | 113.7 | I268 F273 R277 V278 Y286 | I268-M284 HydrophobicContact CD1-CE 4.35Å; F273-M284 HydrophobicContact CD2-CE 4.17Å; F273-M284 HydrophobicContact CD2-SD 3.98Å; F273-M284 HydrophobicContact CE2-SD 3.94Å; R277-M284 WeakPolarHBondContact O-CE 3.47Å; V278-M284 HydrophobicContact CG1-CE 4.09Å; V278-M284 HydrophobicContact CG1-CG 3.8Å; M284-Y286 PolarHBondContact O-N 3.13Å |
| 285 | Q | 77.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 54.9 Ų | 54.9 | 65% | 0.645 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.2 | 176.3 | -56.8 | 83.6 | 5.6 | 0 | 0 | 113.4 | K283 | K283-Q285 PolarHBondContact O-N 3.26Å; K283-Q285 VanDerWaalsContact O-N 3.14Å |
| 286 | Y | 81.7 | Confident | 82.7 | Confident | 33 Ų | 33 | 56 Ų | 56 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -67.5 | 142.8 | 176 | -65.9 | -19.5 | 0 | 0 | 0 | 110.4 | K262 H263 H282 K283 M284 M288 | K262-Y286 HydrophobicContact CB-CD2 4.4Å; K262-Y286 HydrophobicContact CB-CG 4.34Å; K262-Y286 HydrophobicContact CD-CD1 3.62Å; K262-Y286 HydrophobicContact CD-CD2 3.65Å; K262-Y286 HydrophobicContact CD-CE1 3.66Å; K262-Y286 HydrophobicContact CD-CE2 3.69Å; K262-Y286 HydrophobicContact CD-CG 3.62Å; K262-Y286 PolarHBondContact NZ-OH 2.82Å; H263-Y286 AromaticContact CE1-CE2 3.78Å; H263-Y286 AromaticContact NE2-CE2 3.74Å; H282-Y286 AromaticContact CD2-CD2 3.84Å; H282-Y286 AromaticContact NE2-CD2 3.92Å; K283-Y286 HydrophobicContact CB-CD1 4.17Å; K283-Y286 HydrophobicContact CB-CD2 4.12Å; K283-Y286 HydrophobicContact CB-CE1 3.98Å; K283-Y286 HydrophobicContact CB-CE2 3.94Å; K283-Y286 HydrophobicContact CB-CG 4.24Å; K283-Y286 HydrophobicContact CD-CE1 4.31Å; K283-Y286 HydrophobicContact CG-CE1 4.36Å; K283-Y286 HydrophobicContact CG-CE2 4.19Å; K283-Y286 WeakPolarHBondContact O-CB 3.47Å; K283-Y286 PolarHBondContact O-N 3.36Å; M284-Y286 PolarHBondContact O-N 3.13Å; Y286-M288 PolarHBondContact O-N 3.44Å |
| 287 | P | 79.6 | Confident | 81.4 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | trans | -61 | 130.1 | 180 | 27.9 | -37.7 | 0 | 0 | 0 | 109.9 | L261 F318 | L261-P287 HydrophobicContact CB-CB 4.11Å; L261-P287 HydrophobicContact CB-CG 3.96Å; L261-P287 WeakPolarHBondContact CB-O 3.39Å; L261-P287 HydrophobicContact CD1-CB 4.3Å; L261-P287 PolarHBondContact N-O 3.25Å; P287-F318 HydrophobicContact CB-CD1 4.49Å; P287-F318 HydrophobicContact CG-CD1 3.7Å; P287-F318 HydrophobicContact CG-CE1 3.53Å; P287-F318 HydrophobicContact CG-CZ 4.34Å | ||
| 288 | M | 84.9 | Confident | 80 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 151.3 | 175.5 | -55.7 | -66.5 | -70.3 | 0 | 0 | 109.2 | Y258 R259 S260 I268 F273 H282 Y286 M324 | Y258-M288 VanDerWaalsContact C-CE 3.5Å; Y258-M288 VanDerWaalsContact O-CE 3.29Å; Y258-M288 WeakPolarHBondContact O-CE 3.44Å; R259-M288 CarbonylContact O-C 3.55Å; R259-M288 VanDerWaalsContact O-CA 3.25Å; R259-M288 WeakPolarHBondContact O-CA 3.42Å; S260-M288 WeakPolarHBondContact CA-SD 3.48Å; I268-M288 HydrophobicContact CD1-CE 3.67Å; I268-M288 HydrophobicContact CG1-CE 3.99Å; F273-M288 HydrophobicContact CE2-CG 4.39Å; H282-M288 PolarHBondContact CE1-SD 3.39Å; H282-M288 PolarHBondContact NE2-SD 2.8Å; H282-M288 VanDerWaalsContact NE2-SD 3.39Å; Y286-M288 PolarHBondContact O-N 3.44Å; M288-M324 HydrophobicContact CB-CE 4Å; M288-M324 HydrophobicContact CG-CE 4.45Å |
| 289 | V | 85.9 | Confident | 79 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.1 | 160.9 | 176.3 | 0 | 0 | 0 | 0 | 107.5 | Y258 R259 L261 Y291 | Y258-V289 CarbonylContact C-O 3.57Å; Y258-V289 WeakPolarHBondContact CA-O 3.47Å; R259-V289 PolarHBondContact N-O 3.39Å; R259-V289 PolarHBondContact O-N 3.11Å; L261-V289 HydrophobicContact CD1-CG2 3.64Å; L261-V289 HydrophobicContact CD2-CG2 3.5Å; L261-V289 HydrophobicContact CG-CG2 3.62Å; V289-Y291 HydrophobicContact CB-CE2 4.27Å; V289-Y291 HydrophobicContact CG1-CD1 4.24Å; V289-Y291 HydrophobicContact CG1-CD2 4.39Å; V289-Y291 HydrophobicContact CG1-CE1 3.71Å; V289-Y291 HydrophobicContact CG1-CE2 3.9Å |
| 290 | E | 89.6 | Confident | 77.6 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.5 | 170.9 | 173.2 | 171.3 | 79.4 | 0 | 0 | 109.9 | Y38 R232 F256 Y258 | Y38-E290 WeakPolarHBondContact CE1-OE2 3.34Å; Y38-E290 PolarHBondContact OH-OE1 2.78Å; Y38-E290 PolarHBondContact OH-OE2 3.11Å; R232-E290 WeakPolarHBondContact CD-OE1 3.36Å; R232-E290 IonicContact CZ-OE1 2.75Å; R232-E290 IonicContact NE-OE1 3.68Å; R232-E290 PolarHBondContact NE-OE1 3.42Å; F256-E290 HydrophobicContact CD1-CG 3.64Å; F256-E290 VanDerWaalsContact CD1-OE2 3.31Å; F256-E290 WeakPolarHBondContact CD1-OE2 3.37Å; F256-E290 HydrophobicContact CE1-CG 3.91Å; F256-E290 VanDerWaalsContact CE1-OE2 3.24Å; F256-E290 WeakPolarHBondContact CE1-OE2 3.29Å; Y258-E290 HydrophobicContact CD1-CB 4.12Å; Y258-E290 HydrophobicContact CD1-CG 4.44Å; Y258-E290 HydrophobicContact CE1-CB 3.89Å; Y258-E290 HydrophobicContact CE1-CG 3.85Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.38Å; Y258-E290 PolarHBondContact OH-OE2 3.11Å |
| 291 | Y | 87.9 | Confident | 76.6 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.5 | 165.8 | -49.8 | -84.7 | 0 | 0 | 0 | 109.5 | F256 R257 R259 V289 T295 D303 | F256-Y291 WeakPolarHBondContact CA-O 3.49Å; R257-Y291 HydrophobicContact CB-CD2 4.28Å; R257-Y291 HydrophobicContact CG-CD2 4.06Å; R257-Y291 PolarHBondContact N-O 2.83Å; R257-Y291 WeakPolarHBondContact O-CD2 3.47Å; R257-Y291 PolarHBondContact O-N 2.8Å; R259-Y291 HydrophobicContact CB-CE2 3.68Å; V289-Y291 HydrophobicContact CB-CE2 4.27Å; V289-Y291 HydrophobicContact CG1-CD1 4.24Å; V289-Y291 HydrophobicContact CG1-CD2 4.39Å; V289-Y291 HydrophobicContact CG1-CE1 3.71Å; V289-Y291 HydrophobicContact CG1-CE2 3.9Å; Y291-T295 HydrophobicContact CD1-CG2 3.27Å; Y291-T295 HydrophobicContact CD2-CG2 4.09Å; Y291-T295 HydrophobicContact CE1-CG2 3.51Å; Y291-T295 HydrophobicContact CE2-CG2 4.26Å; Y291-T295 HydrophobicContact CG-CG2 3.57Å; Y291-D303 PolarHBondContact OH-OD2 3.24Å |
| 292 | C | 87.2 | Confident | 75.9 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -118.7 | 2.2 | 174.7 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | R232 A235 A236 A239 F256 | R232-C292 HydrophobicContact CB-CB 4.45Å; A235-C292 CarbonylContact C-O 3.6Å; A235-C292 VanDerWaalsContact C-O 3.3Å; A235-C292 HydrophobicContact CB-CB 4.39Å; A236-C292 WeakPolarHBondContact CA-O 3.44Å; A236-C292 HydrophobicContact CB-CB 3.97Å; A236-C292 PolarHBondContact N-O 2.84Å; A239-C292 WeakPolarHBondContact CB-O 3.35Å; F256-C292 HydrophobicContact CD1-CB 3.85Å; F256-C292 HydrophobicContact CE1-CB 3.58Å; F256-C292 HydrophobicContact CZ-CB 4.46Å |
| 293 | T | 85.4 | Confident | 74.6 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -133.8 | 154.3 | 174.6 | 55.1 | 0 | 0 | 0 | 0 | 109.1 | H241 T295 | H241-T293 PolarHBondContact CE1-O 3.14Å; T293-T295 PolarHBondContact O-N 3.24Å |
| 294 | P | 78.6 | Confident | 73.3 | Confident | 82 Ų | 82 | 57 Ų | 57 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 130 | 176.5 | -26.3 | 35 | 0 | 0 | 0 | 111.4 | ||
| 295 | T | 67.6 | Low | 72.8 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73 | 135.2 | -177 | 39.3 | 0 | 0 | 0 | 0 | 111 | R257 Y291 T293 E299 | R257-T295 PolarHBondContact NH1-OG1 2.76Å; Y291-T295 HydrophobicContact CD1-CG2 3.27Å; Y291-T295 HydrophobicContact CD2-CG2 4.09Å; Y291-T295 HydrophobicContact CE1-CG2 3.51Å; Y291-T295 HydrophobicContact CE2-CG2 4.26Å; Y291-T295 HydrophobicContact CG-CG2 3.57Å; T293-T295 PolarHBondContact O-N 3.24Å; T295-E299 WeakPolarHBondContact CA-OE2 3.4Å |
| 296 | T | 67.2 | Low | 72.4 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 154.5 | 170.7 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | G298 E299 D300 | T296-G298 PolarHBondContact O-N 3.09Å; T296-G298 VanDerWaalsContact O-N 3.13Å; T296-E299 PolarHBondContact N-OE2 2.78Å; T296-E299 WeakPolarHBondContact O-CB 3.4Å; T296-E299 PolarHBondContact O-N 2.67Å; T296-E299 PolarHBondContact OG1-OE2 2.88Å; T296-D300 PolarHBondContact O-N 3Å |
| 297 | S | 60.9 | Low | 71.6 | Confident | 102 Ų | 102 | 55 Ų | 55 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.7 | -30.9 | -179.1 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | V301 | S297-V301 WeakPolarHBondContact O-CG2 3.16Å; S297-V301 PolarHBondContact O-N 2.84Å |
| 298 | G | 59.3 | Low | 71 | Confident | 36 Ų | 36 | 58 Ų | 58 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.2 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T296 R302 | T296-G298 PolarHBondContact O-N 3.09Å; T296-G298 VanDerWaalsContact O-N 3.13Å; G298-R302 WeakPolarHBondContact O-CG 3.47Å; G298-R302 PolarHBondContact O-N 3.37Å |
| 299 | E | 67.3 | Low | 70.2 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 175.5 | -73 | 166 | 153.3 | 0 | 0 | 111.5 | T295 T296 V301 R302 D303 | T295-E299 WeakPolarHBondContact CA-OE2 3.4Å; T296-E299 PolarHBondContact N-OE2 2.78Å; T296-E299 WeakPolarHBondContact O-CB 3.4Å; T296-E299 PolarHBondContact O-N 2.67Å; T296-E299 PolarHBondContact OG1-OE2 2.88Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 3.37Å; E299-R302 PolarHBondContact O-N 3.03Å; E299-D303 PolarHBondContact O-N 3.28Å |
| 300 | D | 59 | Low | 69.4 | Low | 54 Ų | 54 | 63.1 Ų | 63.1 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 176.5 | -81 | -43 | 0 | 0 | 0 | 112.3 | R259 T296 D303 F304 | R259-D300 IonicContact CZ-OD1 2.7Å; R259-D300 IonicContact NH1-OD1 3.03Å; R259-D300 PolarHBondContact NH1-OD1 2.96Å; R259-D300 IonicContact NH2-OD1 3.58Å; T296-D300 PolarHBondContact O-N 3Å; D300-D303 PolarHBondContact O-N 3.2Å; D300-F304 WeakPolarHBondContact O-CB 3.3Å; D300-F304 PolarHBondContact O-N 3.39Å |
| 301 | V | 62.3 | Low | 68.1 | Low | 101 Ų | 101 | 67.2 Ų | 67.2 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | S297 E299 D303 F304 A305 | S297-V301 WeakPolarHBondContact O-CG2 3.16Å; S297-V301 PolarHBondContact O-N 2.84Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 3.37Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 3.48Å; V301-F304 WeakPolarHBondContact O-CB 3.2Å; V301-F304 PolarHBondContact O-N 3.48Å; V301-A305 PolarHBondContact O-N 3.41Å; V301-A305 VanDerWaalsContact O-N 3.1Å |
| 302 | R | 66.9 | Low | 67.3 | Low | 151 Ų | 151 | 75 Ų | 75 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 177.2 | -74 | -170.2 | -63.3 | -126.9 | 4.9 | 111.7 | G298 E299 A305 K306 | G298-R302 WeakPolarHBondContact O-CG 3.47Å; G298-R302 PolarHBondContact O-N 3.37Å; E299-R302 PolarHBondContact O-N 3.03Å; R302-A305 PolarHBondContact O-N 3.26Å; R302-K306 WeakPolarHBondContact O-CG 3.4Å; R302-K306 PolarHBondContact O-N 3.04Å; R302-K306 VanDerWaalsContact O-N 3.11Å |
| 303 | D | 57 | Low | 66.6 | Low | 7 Ų | 7 | 77.2 Ų | 77.2 | 4% | 0.037 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -77 | -30.8 | -178.3 | -66.8 | -34.9 | 0 | 0 | 0 | 112.2 | L261 Y291 E299 D300 V301 A305 K306 V307 | L261-D303 HydrophobicContact CD2-CB 4.42Å; Y291-D303 PolarHBondContact OH-OD2 3.24Å; E299-D303 PolarHBondContact O-N 3.28Å; D300-D303 PolarHBondContact O-N 3.2Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 3.48Å; D303-A305 PolarHBondContact O-N 3.39Å; D303-K306 PolarHBondContact O-N 3.03Å; D303-K306 WeakPolarHBondContact OD1-CD 3.35Å; D303-K306 IonicContact OD1-NZ 3.28Å; D303-K306 PolarHBondContact OD1-NZ 3.05Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.45Å; D303-V307 PolarHBondContact O-N 3.05Å |
| 304 | F | 56.1 | Low | 65.7 | Low | 105 Ų | 105 | 78.3 Ų | 78.3 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.4 | -47.6 | 166.2 | -179.5 | -106.3 | 0 | 0 | 0 | 112.2 | F264 D300 V301 K306 V307 L308 | F264-F304 HydrophobicContact CD2-CD2 4.21Å; F264-F304 HydrophobicContact CD2-CE2 4.13Å; F264-F304 AromaticContact CE2-CD2 3.65Å; F264-F304 HydrophobicContact CE2-CD2 3.65Å; F264-F304 AromaticContact CE2-CE2 3.55Å; F264-F304 HydrophobicContact CE2-CE2 3.55Å; F264-F304 HydrophobicContact CZ-CE2 4.44Å; D300-F304 WeakPolarHBondContact O-CB 3.3Å; D300-F304 PolarHBondContact O-N 3.39Å; V301-F304 WeakPolarHBondContact O-CB 3.2Å; V301-F304 PolarHBondContact O-N 3.48Å; F304-K306 VanDerWaalsContact C-N 3.31Å; F304-K306 PolarHBondContact O-N 2.94Å; F304-V307 PolarHBondContact O-N 3.21Å; F304-L308 HydrophobicContact CD1-CD1 3.83Å; F304-L308 HydrophobicContact CE1-CD1 3.34Å; F304-L308 HydrophobicContact CE1-CG 4.42Å; F304-L308 HydrophobicContact CE2-CD1 4.39Å; F304-L308 HydrophobicContact CZ-CD1 3.67Å; F304-L308 HydrophobicContact CZ-CG 4.37Å; F304-L308 PolarHBondContact O-N 2.88Å |
| 305 | A | 66 | Low | 65 | Low | 57 Ų | 57 | 82.1 Ų | 82.1 | 47% | 0.471 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V301 R302 D303 L308 K309 | V301-A305 PolarHBondContact O-N 3.41Å; V301-A305 VanDerWaalsContact O-N 3.1Å; R302-A305 PolarHBondContact O-N 3.26Å; D303-A305 PolarHBondContact O-N 3.39Å; A305-L308 PolarHBondContact O-N 3.39Å; A305-K309 PolarHBondContact O-N 3.21Å |
| 306 | K | 70.1 | Confident | 64.6 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 38% | 0.378 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 174.8 | -70.2 | 176.4 | -162 | 153.6 | 0 | 112.6 | L261 R302 D303 F304 K309 N310 | L261-K306 HydrophobicContact CD2-CB 4.01Å; L261-K306 HydrophobicContact CD2-CD 4.42Å; R302-K306 WeakPolarHBondContact O-CG 3.4Å; R302-K306 PolarHBondContact O-N 3.04Å; R302-K306 VanDerWaalsContact O-N 3.11Å; D303-K306 PolarHBondContact O-N 3.03Å; D303-K306 WeakPolarHBondContact OD1-CD 3.35Å; D303-K306 IonicContact OD1-NZ 3.28Å; D303-K306 PolarHBondContact OD1-NZ 3.05Å; F304-K306 VanDerWaalsContact C-N 3.31Å; F304-K306 PolarHBondContact O-N 2.94Å; K306-K309 PolarHBondContact O-N 3.5Å; K306-N310 VanDerWaalsContact O-CB 3.25Å; K306-N310 WeakPolarHBondContact O-CB 3.41Å; K306-N310 VanDerWaalsContact O-CG 3.25Å; K306-N310 PolarHBondContact O-N 3.11Å; K306-N310 PolarHBondContact O-ND2 2.95Å |
| 307 | V | 64.9 | Low | 64.6 | Low | 9 Ų | 9 | 88.5 Ų | 88.5 | 6% | 0.055 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | L261 D303 F304 N310 K311 | L261-V307 HydrophobicContact CD2-CG2 4.21Å; D303-V307 VanDerWaalsContact O-CG2 3.3Å; D303-V307 WeakPolarHBondContact O-CG2 3.45Å; D303-V307 PolarHBondContact O-N 3.05Å; F304-V307 PolarHBondContact O-N 3.21Å; V307-N310 PolarHBondContact O-N 3.48Å; V307-K311 PolarHBondContact O-N 2.49Å |
| 308 | L | 65.8 | Low | 64.6 | Low | 76 Ų | 76 | 84.7 Ų | 84.7 | 40% | 0.398 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.1 | -50.1 | 175.5 | -81.4 | 162.6 | 0 | 0 | 0 | 111.3 | F304 A305 N310 K311 F312 | F304-L308 HydrophobicContact CD1-CD1 3.83Å; F304-L308 HydrophobicContact CE1-CD1 3.34Å; F304-L308 HydrophobicContact CE1-CG 4.42Å; F304-L308 HydrophobicContact CE2-CD1 4.39Å; F304-L308 HydrophobicContact CZ-CD1 3.67Å; F304-L308 HydrophobicContact CZ-CG 4.37Å; F304-L308 PolarHBondContact O-N 2.88Å; A305-L308 PolarHBondContact O-N 3.39Å; L308-N310 PolarHBondContact O-N 3.1Å; L308-K311 PolarHBondContact O-N 3.02Å; L308-F312 WeakPolarHBondContact O-CD2 3.39Å |
| 309 | K | 70.1 | Confident | 64.6 | Low | 141 Ų | 141 | 86.8 Ų | 86.8 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.8 | -34.7 | 176.9 | -169.5 | 172.8 | -174.9 | 169.8 | 0 | 112.7 | A305 K306 | A305-K309 PolarHBondContact O-N 3.21Å; K306-K309 PolarHBondContact O-N 3.5Å |
| 310 | N | 67.4 | Low | 64 | Low | 5 Ų | 5 | 92 Ų | 92 | 3% | 0.027 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -81.7 | -25.3 | -178.3 | -78 | -18.8 | 0 | 0 | 0 | 114.4 | L261 K306 V307 L308 F312 R313 F318 | L261-N310 WeakPolarHBondContact CB-ND2 3.19Å; L261-N310 VanDerWaalsContact O-CB 3.24Å; L261-N310 WeakPolarHBondContact O-CB 3.46Å; L261-N310 PolarHBondContact O-ND2 3.39Å; K306-N310 VanDerWaalsContact O-CB 3.25Å; K306-N310 WeakPolarHBondContact O-CB 3.41Å; K306-N310 VanDerWaalsContact O-CG 3.25Å; K306-N310 PolarHBondContact O-N 3.11Å; K306-N310 PolarHBondContact O-ND2 2.95Å; V307-N310 PolarHBondContact O-N 3.48Å; L308-N310 PolarHBondContact O-N 3.1Å; N310-F312 PolarHBondContact O-N 3.46Å; N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.24Å; N310-R313 WeakPolarHBondContact OD1-CD 3.46Å; N310-R313 PolarHBondContact OD1-NH1 3.37Å; N310-F318 HydrophobicContact CB-CE1 4.36Å; N310-F318 HydrophobicContact CB-CZ 3.86Å |
| 311 | K | 64 | Low | 63.6 | Low | 122 Ų | 122 | 94 Ų | 94 | 53% | 0.53 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -31.3 | 174.7 | -84 | -176.2 | 175.8 | -175.3 | 0 | 112.8 | V307 L308 R313 | V307-K311 PolarHBondContact O-N 2.49Å; L308-K311 PolarHBondContact O-N 3.02Å; K311-R313 VanDerWaalsContact C-N 3.31Å; K311-R313 PolarHBondContact O-N 3.29Å |
| 312 | F | 69.6 | Low | 63.2 | Low | 179 Ų | 179 | 93.6 Ų | 93.6 | 79% | 0.785 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 0.4 | 178.1 | -60.9 | -77.1 | 0 | 0 | 0 | 114 | L308 N310 | L308-F312 WeakPolarHBondContact O-CD2 3.39Å; N310-F312 PolarHBondContact O-N 3.46Å |
| 313 | R | 73.8 | Confident | 62.5 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 27% | 0.268 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -95.1 | 139.2 | -177.5 | -70.1 | 174.3 | 161.6 | -172.7 | -14.5 | 111.8 | N310 K311 Y317 F318 | N310-R313 WeakPolarHBondContact O-CB 3.44Å; N310-R313 PolarHBondContact O-N 3.24Å; N310-R313 WeakPolarHBondContact OD1-CD 3.46Å; N310-R313 PolarHBondContact OD1-NH1 3.37Å; K311-R313 VanDerWaalsContact C-N 3.31Å; K311-R313 PolarHBondContact O-N 3.29Å; R313-Y317 HydrophobicContact CB-CD1 3.88Å; R313-Y317 HydrophobicContact CB-CG 4.12Å; R313-Y317 VanDerWaalsContact CD-CE1 3.43Å; R313-Y317 HydrophobicContact CG-CD1 4.13Å; R313-Y317 HydrophobicContact CG-CE1 4.43Å; R313-Y317 HydrophobicContact CG-CG 4.33Å; R313-Y317 VanDerWaalsContact NH1-CE1 3.27Å; R313-Y317 VanDerWaalsContact NH1-CZ 3.25Å; R313-Y317 PolarHBondContact NH1-OH 2.77Å; R313-Y317 PolarHBondContact NH2-OH 2.82Å; R313-Y317 VanDerWaalsContact NH2-OH 3.09Å; R313-F318 HydrophobicContact CB-CE2 3.7Å; R313-F318 HydrophobicContact CB-CZ 3.71Å |
| 314 | T | 66.6 | Low | 62.3 | Low | 95 Ų | 95 | 94.4 Ų | 94.4 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | trans | -75 | 160.8 | -175.5 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | R316 Y317 F318 | T314-R316 PolarHBondContact O-N 3.19Å; T314-Y317 WeakPolarHBondContact O-CB 3.5Å; T314-Y317 PolarHBondContact O-N 2.91Å; T314-Y317 PolarHBondContact OG1-N 3.25Å; T314-F318 WeakPolarHBondContact O-CD2 3.41Å | ||
| 315 | K | 63.1 | Low | 61.9 | Low | 161 Ų | 161 | 91.4 Ų | 91.4 | 70% | 0.7 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -54.3 | -36.9 | 173 | -76.6 | 179.6 | 179.9 | 169.9 | 0 | 112.3 | Y317 F318 A319 | K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.32Å; K315-F318 PolarHBondContact O-N 3.47Å; K315-A319 PolarHBondContact O-N 2.66Å |
| 316 | R | 59.9 | Low | 61.4 | Low | 196 Ų | 196 | 89.3 Ų | 89.3 | 74% | 0.74 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.5 | -32.3 | 178.9 | -147.5 | 176.5 | -168.1 | 176.3 | 3 | 112.4 | T314 K320 | T314-R316 PolarHBondContact O-N 3.19Å; R316-K320 PolarHBondContact O-N 3.38Å |
| 317 | Y | 65.4 | Low | 60.6 | Low | 56 Ų | 56 | 87.7 Ų | 87.7 | 22% | 0.22 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175.4 | 175.9 | -89.7 | 0 | 0 | 0 | 112 | R313 T314 K315 K320 H321 | R313-Y317 HydrophobicContact CB-CD1 3.88Å; R313-Y317 HydrophobicContact CB-CG 4.12Å; R313-Y317 VanDerWaalsContact CD-CE1 3.43Å; R313-Y317 HydrophobicContact CG-CD1 4.13Å; R313-Y317 HydrophobicContact CG-CE1 4.43Å; R313-Y317 HydrophobicContact CG-CG 4.33Å; R313-Y317 VanDerWaalsContact NH1-CE1 3.27Å; R313-Y317 VanDerWaalsContact NH1-CZ 3.25Å; R313-Y317 PolarHBondContact NH1-OH 2.77Å; R313-Y317 PolarHBondContact NH2-OH 2.82Å; R313-Y317 VanDerWaalsContact NH2-OH 3.09Å; T314-Y317 WeakPolarHBondContact O-CB 3.5Å; T314-Y317 PolarHBondContact O-N 2.91Å; T314-Y317 PolarHBondContact OG1-N 3.25Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 3.32Å; Y317-K320 PolarHBondContact O-N 2.89Å; Y317-H321 AromaticContact CD2-ND1 3.99Å; Y317-H321 AromaticContact CE2-CE1 3.85Å; Y317-H321 AromaticContact CE2-ND1 3.82Å; Y317-H321 PolarHBondContact O-N 3Å; Y317-H321 PolarHBondContact O-ND1 3.11Å |
| 318 | F | 61.1 | Low | 59.7 | Low | 22 Ų | 22 | 90 Ų | 90 | 10% | 0.096 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -72.5 | -30.4 | -178.5 | -64.6 | -67.3 | 0 | 0 | 0 | 113.1 | P287 N310 R313 T314 K315 K320 H321 | P287-F318 HydrophobicContact CB-CD1 4.49Å; P287-F318 HydrophobicContact CG-CD1 3.7Å; P287-F318 HydrophobicContact CG-CE1 3.53Å; P287-F318 HydrophobicContact CG-CZ 4.34Å; N310-F318 HydrophobicContact CB-CE1 4.36Å; N310-F318 HydrophobicContact CB-CZ 3.86Å; R313-F318 HydrophobicContact CB-CE2 3.7Å; R313-F318 HydrophobicContact CB-CZ 3.71Å; T314-F318 WeakPolarHBondContact O-CD2 3.41Å; K315-F318 PolarHBondContact O-N 3.47Å; F318-K320 VanDerWaalsContact C-N 3.32Å; F318-H321 CarbonylContact O-C 3.46Å; F318-H321 PolarHBondContact O-N 2.74Å |
| 319 | A | 60.1 | Low | 58.7 | Low | 80 Ų | 80 | 90 Ų | 90 | 66% | 0.661 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K315 | K315-A319 PolarHBondContact O-N 2.66Å |
| 320 | K | 53.8 | Low | 57.2 | Low | 156 Ų | 156 | 91.8 Ų | 91.8 | 68% | 0.678 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84.7 | -14.3 | 178 | -72.1 | -171.5 | 174.7 | -167.7 | 0 | 114.6 | R316 Y317 F318 | R316-K320 PolarHBondContact O-N 3.38Å; Y317-K320 PolarHBondContact O-N 2.89Å; F318-K320 VanDerWaalsContact C-N 3.32Å |
| 321 | H | 51.1 | Low | 55.7 | Low | 98 Ų | 98 | 97 Ų | 97 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | trans | -129.3 | 60.8 | -179 | -56.6 | 82.3 | 0 | 0 | 0 | 111.6 | Y317 F318 R323 | Y317-H321 AromaticContact CD2-ND1 3.99Å; Y317-H321 AromaticContact CE2-CE1 3.85Å; Y317-H321 AromaticContact CE2-ND1 3.82Å; Y317-H321 PolarHBondContact O-N 3Å; Y317-H321 PolarHBondContact O-ND1 3.11Å; F318-H321 CarbonylContact O-C 3.46Å; F318-H321 PolarHBondContact O-N 2.74Å; H321-R323 PolarHBondContact O-N 3.41Å | ||
| 322 | P | 53.6 | Low | 54 | Low | 91 Ų | 91 | 99.1 Ų | 99.1 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | trans | -64.5 | 106.5 | 170.2 | 26.8 | -30.3 | 0 | 0 | 0 | 108.1 | M324 L327 | P322-M324 PolarHBondContact O-N 3.09Å; P322-L327 HydrophobicContact CB-CD1 4.42Å | ||
| 323 | R | 52.4 | Low | 52.1 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | trans | -77.1 | 1.1 | -175.3 | -75.8 | -173.7 | 173.8 | -171.4 | -6.7 | 114.6 | H321 | H321-R323 PolarHBondContact O-N 3.41Š| ||
| 324 | M | 52.8 | Low | 50.1 | Low | 25 Ų | 25 | 103 Ų | 103 | 12% | 0.123 | 53% | 0.525 | C | S | . | . | trans | -116.9 | 96.3 | -160.8 | -58.2 | -86.6 | -89.4 | 0 | 0 | 108.5 | F273 M288 P322 Y326 L327 | F273-M324 HydrophobicContact CZ-CE 4.02Å; M288-M324 HydrophobicContact CB-CE 4Å; M288-M324 HydrophobicContact CG-CE 4.45Å; P322-M324 PolarHBondContact O-N 3.09Å; M324-Y326 HydrophobicContact CB-CD2 4.45Å; M324-Y326 HydrophobicContact CB-CE1 4.44Å; M324-Y326 HydrophobicContact CB-CE2 4.21Å; M324-Y326 HydrophobicContact CE-CE1 4.35Å; M324-Y326 HydrophobicContact CE-CE2 3.33Å; M324-Y326 WeakPolarHBondContact CE-OH 3.3Å; M324-Y326 PolarHBondContact O-N 3.27Å; M324-Y326 VanDerWaalsContact O-N 3.09Å; M324-Y326 HydrophobicContact SD-CE1 3.94Å; M324-Y326 HydrophobicContact SD-CE2 3.97Å; M324-Y326 PolarHBondContact SD-OH 3.2Å; M324-L327 HydrophobicContact CB-CD1 3.96Å; M324-L327 HydrophobicContact CB-CD2 4.41Å; M324-L327 HydrophobicContact CB-CG 3.76Å; M324-L327 WeakPolarHBondContact O-CG 3.47Å; M324-L327 PolarHBondContact O-N 2.8Å | ||
| 325 | G | 47.6 | Very low | 48.5 | Very low | 41 Ų | 41 | 101.7 Ų | 101.7 | 42% | 0.423 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 2.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q222 | Q222-G325 PolarHBondContact OE1-O 3.45Š|
| 326 | Y | 56.3 | Low | 46.7 | Very low | 14 Ų | 14 | 102.1 Ų | 102.1 | 6% | 0.055 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 6.5 | 179.4 | 51.6 | -104.8 | 0 | 0 | 0 | 113.4 | F35 Y38 F273 M324 | F35-Y326 HydrophobicContact CD1-CD2 4.45Å; F35-Y326 WeakPolarHBondContact CD1-O 3.49Å; Y38-Y326 HydrophobicContact CD2-CD2 4.36Å; Y38-Y326 HydrophobicContact CE2-CD1 4.26Å; Y38-Y326 AromaticContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CD2 3.48Å; Y38-Y326 VanDerWaalsContact CE2-CD2 3.48Å; Y38-Y326 HydrophobicContact CE2-CE1 4.45Å; Y38-Y326 AromaticContact CE2-CE2 3.67Å; Y38-Y326 HydrophobicContact CE2-CE2 3.67Å; Y38-Y326 AromaticContact CE2-CG 3.71Å; Y38-Y326 HydrophobicContact CE2-CG 3.71Å; Y38-Y326 WeakPolarHBondContact OH-CE1 3.2Å; Y38-Y326 VanDerWaalsContact OH-CZ 3.24Å; Y38-Y326 PolarHBondContact OH-OH 2.88Å; F273-Y326 HydrophobicContact CE1-CE2 4.19Å; F273-Y326 HydrophobicContact CZ-CE2 4.12Å; M324-Y326 HydrophobicContact CB-CD2 4.45Å; M324-Y326 HydrophobicContact CB-CE1 4.44Å; M324-Y326 HydrophobicContact CB-CE2 4.21Å; M324-Y326 HydrophobicContact CE-CE1 4.35Å; M324-Y326 HydrophobicContact CE-CE2 3.33Å; M324-Y326 WeakPolarHBondContact CE-OH 3.3Å; M324-Y326 PolarHBondContact O-N 3.27Å; M324-Y326 VanDerWaalsContact O-N 3.09Å; M324-Y326 HydrophobicContact SD-CE1 3.94Å; M324-Y326 HydrophobicContact SD-CE2 3.97Å; M324-Y326 PolarHBondContact SD-OH 3.2Å |
| 327 | L | 53.1 | Low | 45.2 | Very low | 52 Ų | 52 | 99.9 Ų | 99.9 | 27% | 0.272 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -58.7 | 149.1 | 166.7 | -68.9 | 173.1 | 0 | 0 | 0 | 108.6 | F35 P322 M324 V329 | F35-L327 HydrophobicContact CE1-CD2 3.83Å; P322-L327 HydrophobicContact CB-CD1 4.42Å; M324-L327 HydrophobicContact CB-CD1 3.96Å; M324-L327 HydrophobicContact CB-CD2 4.41Å; M324-L327 HydrophobicContact CB-CG 3.76Å; M324-L327 WeakPolarHBondContact O-CG 3.47Å; M324-L327 PolarHBondContact O-N 2.8Å; L327-V329 PolarHBondContact O-N 3.31Å |
| 328 | P | 46.3 | Very low | 43.3 | Very low | 58 Ų | 58 | 105.6 Ų | 105.6 | 38% | 0.377 | 57% | 0.574 | S | S | . | * | trans | -51.3 | 124.2 | 175.6 | -20.3 | 31.3 | 0 | 0 | 0 | 108 | F35 Q330 | F35-P328 HydrophobicContact CD1-CG 4.49Å; P328-Q330 PolarHBondContact O-N 3.07Å | ||
| 329 | V | 45.3 | Very low | 41.7 | Very low | 76 Ų | 76 | 112.6 Ų | 112.6 | 46% | 0.461 | 61% | 0.607 | S | S | . | * | trans | -51.6 | 115.7 | 165.5 | 178.6 | 0 | 0 | 0 | 0 | 104.2 | L327 T331 | L327-V329 PolarHBondContact O-N 3.31Å; V329-T331 PolarHBondContact O-N 2.92Å | ||
| 330 | Q | 38.7 | Very low | 40 | Very low | 179 Ų | 179 | 115 Ų | 115 | 84% | 0.836 | 61% | 0.613 | S | S | * | * | trans | -60.2 | 103.8 | 168.9 | -77.3 | 179.8 | -34.8 | 0 | 0 | 104.1 | P328 I332 | P328-Q330 PolarHBondContact O-N 3.07Å; Q330-I332 PolarHBondContact O-N 2.84Å | ||
| 331 | T | 34.4 | Very low | 38.7 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | trans | -49.8 | 115.4 | 157.8 | 23 | 0 | 0 | 0 | 0 | 103.9 | V329 L333 | V329-T331 PolarHBondContact O-N 2.92Å; T331-L333 PolarHBondContact O-N 3.45Å | ||
| 332 | I | 29.3 | Very low | 37.4 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 85% | 0.846 | 64% | 0.636 | S | S | * | * | trans | -59.3 | 92.9 | 163.5 | -62.5 | 169.5 | 0 | 0 | 0 | 103 | Q330 E334 | Q330-I332 PolarHBondContact O-N 2.84Å; I332-E334 PolarHBondContact O-N 3.14Å | ||
| 333 | L | 29.1 | Very low | 36.1 | Very low | 145 Ų | 145 | 118.4 Ų | 118.4 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -59.7 | 128.7 | 158.7 | -91.1 | 153.4 | 0 | 0 | 0 | 104.4 | T331 G335 | T331-L333 PolarHBondContact O-N 3.45Å; L333-G335 PolarHBondContact O-N 3.4Å | ||
| 334 | E | 33.1 | Very low | 35 | Very low | 188 Ų | 188 | 120.3 Ų | 120.3 | 88% | 0.879 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -38 | 125.6 | 173 | -68.5 | 161.6 | 139.9 | 0 | 0 | 110.9 | I332 | I332-E334 PolarHBondContact O-N 3.14Š|
| 335 | G | 33.1 | Very low | 33.8 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 69% | 0.688 | S | S | * | * | trans | 56.9 | 84.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | L333 | L333-G335 PolarHBondContact O-N 3.4Š| ||
| 336 | D | 24.8 | Very low | 32.8 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | trans | -78.6 | 121.4 | 141.8 | -93.7 | -20.6 | 0 | 0 | 0 | 107.5 | M338 | D336-M338 PolarHBondContact O-N 3.42Š| ||
| 337 | N | 27.8 | Very low | 31.2 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -43.4 | 124 | 178.5 | -79.5 | -32.9 | 0 | 0 | 0 | 110.8 | E339 | N337-E339 PolarHBondContact O-N 3.38Š| ||
| 338 | M | 25.4 | Very low | 30.1 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -62.5 | 86.2 | 165 | -167.3 | 171.6 | 73.2 | 0 | 0 | 107.4 | D336 T340 | D336-M338 PolarHBondContact O-N 3.42Å; M338-T340 PolarHBondContact O-N 3.39Å | ||
| 339 | E | 26.9 | Very low | 29 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -57.8 | 109.7 | 165.6 | -75.7 | -168 | 162.7 | 0 | 0 | 106.7 | N337 W341 | N337-E339 PolarHBondContact O-N 3.38Å; E339-W341 PolarHBondContact O-N 3Å; E339-W341 VanDerWaalsContact O-N 3.07Å | ||
| 340 | T | 25.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -42 | 110.8 | 171.6 | 21.3 | 0 | 0 | 0 | 0 | 109.9 | M338 G342 | M338-T340 PolarHBondContact O-N 3.39Å; T340-G342 VanDerWaalsContact C-N 3.28Å; T340-G342 PolarHBondContact O-N 3.13Å | ||
| 341 | W | 25.2 | Very low | 27.5 | Very low | 251 Ų | 251 | 145.6 Ų | 145.6 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -62.4 | 100 | 156 | -77.3 | 75.2 | 0 | 0 | 0 | 106.5 | E339 S343 | E339-W341 PolarHBondContact O-N 3Å; E339-W341 VanDerWaalsContact O-N 3.07Å; W341-S343 PolarHBondContact O-N 3.42Å | ||
| 342 | G | 24.9 | Very low | 27 | Very low | 65 Ų | 65 | 148.9 Ų | 148.9 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 103.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | T340 H344 | T340-G342 VanDerWaalsContact C-N 3.28Å; T340-G342 PolarHBondContact O-N 3.13Å; G342-H344 PolarHBondContact O-N 3.44Å; G342-H344 VanDerWaalsContact O-N 3.15Å | ||
| 343 | S | 26.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 148.9 Ų | 148.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 107.5 | 161.8 | 10.1 | 0 | 0 | 0 | 0 | 107.4 | W341 T345 | W341-S343 PolarHBondContact O-N 3.42Å; S343-T345 PolarHBondContact O-N 3.25Å | ||
| 344 | H | 28.7 | Very low | 26.8 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | -48.9 | 110.1 | 158.8 | -73.1 | -72.7 | 0 | 0 | 0 | 109 | G342 | G342-H344 PolarHBondContact O-N 3.44Å; G342-H344 VanDerWaalsContact O-N 3.15Å | ||
| 345 | T | 27.3 | Very low | 26.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -130.5 | 124.5 | 158.6 | 42.4 | 0 | 0 | 0 | 0 | 107.9 | S343 | S343-T345 PolarHBondContact O-N 3.25Š| ||
| 346 | N | 26.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -57.8 | 139.8 | -175.2 | -79.1 | -31.7 | 0 | 0 | 0 | 111.6 | H348 | N346-H348 PolarHBondContact O-N 2.79Š| ||
| 347 | T | 23.4 | Very low | 26.3 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -41.9 | 123.1 | 159 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 348 | H | 28.5 | Very low | 26.3 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -150.5 | 106.1 | 135.9 | -87.6 | -54.2 | 0 | 0 | 0 | 110.4 | N346 | N346-H348 PolarHBondContact O-N 2.79Š| ||
| 349 | T | 24.6 | Very low | 26.5 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -8 | 126.8 | 145 | 50.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 350 | H | 24.9 | Very low | 26.5 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | 172.8 | 127.8 | 94.8 | -115.3 | -75.5 | 0 | 0 | 0 | 113.7 | |||||
| 351 | T | 26.7 | Very low | 26.8 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | 67.4 | 116.2 | 143 | 24.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 352 | H | 25 | Very low | 27 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -52.6 | 140.5 | 150.8 | -76.4 | -90.4 | 0 | 0 | 0 | 112.2 | ||||
| 353 | I | 26.4 | Very low | 27.1 | Very low | 166 Ų | 166 | 158.1 Ų | 158.1 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -115.7 | 112.3 | 158.9 | -66.1 | 175.6 | 0 | 0 | 0 | 107.8 | ||||
| 354 | H | 28 | Very low | 27.2 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 136.7 | 163.9 | -106.6 | -69.6 | 0 | 0 | 0 | 109.4 | N356 | H354-N356 PolarHBondContact O-N 3.04Š| ||
| 355 | T | 25.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 159.4 Ų | 159.4 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -58.6 | 123.8 | 158.3 | 36.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 356 | N | 27 | Very low | 27.1 | Very low | 153 Ų | 153 | 161.2 Ų | 161.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -145.5 | 127.9 | 152.5 | -143.2 | 2.3 | 0 | 0 | 0 | 110.6 | H354 | H354-N356 PolarHBondContact O-N 3.04Š| ||
| 357 | T | 27.4 | Very low | 27.1 | Very low | 120 Ų | 120 | 161.5 Ų | 161.5 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -57.4 | 137.3 | 162.1 | 42.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 358 | D | 28.1 | Very low | 27.3 | Very low | 148 Ų | 148 | 164.2 Ų | 164.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | -175.6 | 165.9 | 109.2 | -132.9 | -28.5 | 0 | 0 | 0 | 113 | |||||
| 359 | K | 28.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 163.1 Ų | 163.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 166.4 | -170.9 | -71.9 | 157.5 | 172.7 | 166.1 | 0 | 115.5 | ||||
| 360 | R | 27.8 | Very low | 27.5 | Very low | 209 Ų | 209 | 167 Ų | 167 | 79% | 0.789 | 82% | 0.816 | S | S | * | * | trans | 91.6 | 117 | 139.5 | -88.2 | 171.7 | -160.7 | -164.7 | 5.7 | 120.4 | ||||
| 361 | H | 30.6 | Very low | 27.7 | Very low | 164 Ų | 164 | 167.5 Ų | 167.5 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | 85.6 | 127.2 | 121.3 | -80.3 | 2.4 | 0 | 0 | 0 | 121.4 | |||||
| 362 | K | 31 | Very low | 27.8 | Very low | 280 Ų | 280 | 172 Ų | 172 | 100% | 1.217 | 83% | 0.83 | S | S | * | * | trans | 84.4 | 0 | 159.9 | -71.5 | -173.8 | 176.1 | -177.5 | 0 | 117.1 |
Retrieved 362 of 362 residues in 113.5 ms
(Link to these results)