| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.7 | Very low | 46.7 | Very low | 226 Ų | 226 | 103.8 Ų | 103.8 | 100% | 1.113 | 67% | 0.667 | S | S | * | * | 0 | 135 | 0 | -75.5 | 177.3 | -176.9 | 0 | 0 | 107.6 | I3 | M1-I3 PolarHBondContact O-N 2.94Š| |||
| 2 | P | 41.3 | Very low | 48 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | trans | -59.5 | 138 | 169 | 25.8 | -29.8 | 0 | 0 | 0 | 108.5 | F4 | P2-F4 PolarHBondContact O-N 3.44Š| ||
| 3 | I | 52 | Low | 50.2 | Low | 158 Ų | 158 | 102.8 Ų | 102.8 | 81% | 0.81 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -0.4 | -171.6 | -67.7 | 163.4 | 0 | 0 | 0 | 113.2 | M1 | M1-I3 PolarHBondContact O-N 2.94Š|
| 4 | F | 53.4 | Low | 52.7 | Low | 56 Ų | 56 | 98.2 Ų | 98.2 | 25% | 0.246 | 60% | 0.604 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -121 | 6.2 | -163.4 | -53.2 | -58 | 0 | 0 | 0 | 115.5 | P2 G6 L81 | P2-F4 PolarHBondContact O-N 3.44Å; F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.01Å; F4-L81 HydrophobicContact CD2-CB 4.43Å; F4-L81 HydrophobicContact CE2-CB 3.9Å; F4-L81 HydrophobicContact CE2-CD1 3.86Å; F4-L81 HydrophobicContact CE2-CG 4.49Å; F4-L81 HydrophobicContact CZ-CD1 4.1Å |
| 5 | D | 47.9 | Very low | 55.1 | Low | 88 Ų | 88 | 92.1 Ų | 92.1 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | trans | -74.4 | 89.7 | 166.8 | -91.9 | -19.9 | 0 | 0 | 0 | 109.1 | R87 | D5-R87 IonicContact OD1-CZ 2.7Å; D5-R87 IonicContact OD1-NH2 3.31Å; D5-R87 PolarHBondContact OD1-NH2 2.84Å | ||
| 6 | G | 47.9 | Very low | 57.5 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | trans | -56.8 | 138.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F4 G8 | F4-G6 VanDerWaalsContact C-N 3.29Å; F4-G6 PolarHBondContact O-N 3.01Å; G6-G8 PolarHBondContact O-N 3.45Å | ||
| 7 | L | 46.4 | Very low | 59.6 | Low | 186 Ų | 186 | 81.2 Ų | 81.2 | 97% | 0.974 | 50% | 0.5 | S | S | * | . | trans | -61.4 | 82.4 | 176.3 | -77.9 | 150.9 | 0 | 0 | 0 | 110.3 | S9 | L7-S9 PolarHBondContact O-N 2.65Š| ||
| 8 | G | 45.1 | Very low | 61.6 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 37% | 0.371 | 47% | 0.473 | S | S | . | . | trans | -67.6 | 118 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | G6 G10 | G6-G8 PolarHBondContact O-N 3.45Å; G8-G10 PolarHBondContact O-N 3.34Å; G8-G10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | S | 41.7 | Very low | 63.3 | Low | 109 Ų | 109 | 73.7 Ų | 73.7 | 76% | 0.762 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 111.2 | 169.2 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | L7 Q366 | L7-S9 PolarHBondContact O-N 2.65Å; S9-Q366 PolarHBondContact O-NE2 3.42Å |
| 10 | G | 47.8 | Very low | 64.8 | Low | 69 Ų | 69 | 71.4 Ų | 71.4 | 71% | 0.711 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.4 | 5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | G8 E12 | G8-G10 PolarHBondContact O-N 3.34Å; G8-G10 VanDerWaalsContact O-N 3.13Å; G10-E12 PolarHBondContact O-N 3.15Å |
| 11 | G | 51 | Low | 65.9 | Low | 80 Ų | 80 | 68.9 Ų | 68.9 | 83% | 0.825 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 77.5 | -1.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 12 | E | 62.8 | Low | 68.2 | Low | 100 Ų | 100 | 59.1 Ų | 59.1 | 47% | 0.467 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 137 | 169.1 | -68.7 | -163.5 | 149.4 | 0 | 0 | 111.3 | G10 R88 | G10-E12 PolarHBondContact O-N 3.15Å; E12-R88 IonicContact OE1-NH2 2.78Å; E12-R88 PolarHBondContact OE1-NH2 2.76Å; E12-R88 IonicContact OE2-NH2 3.66Å |
| 13 | K | 76.1 | Confident | 70.5 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -72 | 135.8 | 178.2 | -71.5 | 175.6 | 174.9 | 169 | 0 | 110.3 | A15 D86 R87 | K13-A15 PolarHBondContact O-N 2.95Å; K13-D86 HydrophobicContact CD-CB 3.76Å; K13-D86 IonicContact NZ-OD1 3.29Å; K13-D86 IonicContact NZ-OD2 2.76Å; K13-D86 PolarHBondContact NZ-OD2 2.75Å; K13-R87 HydrophobicContact CB-CG 3.78Å; K13-R87 HydrophobicContact CD-CG 4.31Å |
| 14 | T | 85.1 | Confident | 72.4 | Confident | 38 Ų | 38 | 52 Ų | 52 | 23% | 0.233 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 135.4 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 112 | R87 | T14-R87 WeakPolarHBondContact O-CD 3.45Å; T14-R87 PolarHBondContact O-NH1 2.72Å; T14-R87 PolarHBondContact OG1-NH1 3.11Å |
| 15 | A | 89.4 | Confident | 74.3 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 155.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K13 A30 R88 L369 | K13-A15 PolarHBondContact O-N 2.95Å; A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 WeakPolarHBondContact O-CB 3.36Å; A15-A30 PolarHBondContact O-N 3.3Å; A15-R88 WeakPolarHBondContact CA-O 3.38Å; A15-R88 HydrophobicContact CB-CB 4.37Å; A15-L369 HydrophobicContact CB-CD1 3.8Å |
| 16 | I | 92.7 | Very high | 76.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.1 | 178 | -64.8 | 169.2 | 0 | 0 | 0 | 108.5 | I18 F29 Y76 L80 V82 R87 R88 V89 V90 | I16-I18 HydrophobicContact CG2-CD1 4.24Å; I16-I18 HydrophobicContact CG2-CG1 3.91Å; I16-F29 HydrophobicContact CG1-CD1 4.35Å; I16-F29 HydrophobicContact CG1-CE1 4.25Å; I16-Y76 HydrophobicContact CD1-CD1 4.24Å; I16-Y76 HydrophobicContact CD1-CE1 3.28Å; I16-L80 HydrophobicContact CD1-CD1 4.15Å; I16-L80 HydrophobicContact CG1-CD1 4.41Å; I16-L80 HydrophobicContact CG2-CD1 3.44Å; I16-L80 VanDerWaalsContact CG2-CD1 3.44Å; I16-V82 HydrophobicContact CD1-CG2 3.75Å; I16-R87 HydrophobicContact CD1-CB 4.02Å; I16-R87 HydrophobicContact CG1-CB 4.25Å; I16-R88 PolarHBondContact N-O 3.42Å; I16-V89 CarbonylContact O-C 3.54Å; I16-V89 WeakPolarHBondContact O-CA 3.34Å; I16-V90 PolarHBondContact O-N 3.48Å |
| 17 | V | 94.7 | Very high | 78.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.9 | -179.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | C27 G28 A30 V90 I92 W356 A360 | V17-C27 WeakPolarHBondContact O-CA 3.48Å; V17-G28 PolarHBondContact N-O 2.79Å; V17-G28 PolarHBondContact O-N 3.11Å; V17-A30 HydrophobicContact CG2-CB 4.09Å; V17-V90 WeakPolarHBondContact CA-O 3.28Å; V17-V90 HydrophobicContact CG2-CB 4.43Å; V17-I92 HydrophobicContact CG1-CD1 3.63Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; V17-W356 HydrophobicContact CB-CZ2 4.1Å; V17-W356 HydrophobicContact CG1-CG 4.41Å; V17-W356 PolarHBondContact O-NE1 2.82Å; V17-W356 VanDerWaalsContact O-NE1 3.14Å; V17-A360 HydrophobicContact CG2-CB 4.23Å |
| 18 | I | 95.2 | Very high | 81 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.6 | -179.4 | -51.7 | 178.4 | 0 | 0 | 0 | 108.3 | I16 L20 T25 L75 Y76 V89 V90 I91 I92 F109 | I16-I18 HydrophobicContact CG2-CD1 4.24Å; I16-I18 HydrophobicContact CG2-CG1 3.91Å; I18-L20 HydrophobicContact CG2-CD2 3.93Å; I18-L20 HydrophobicContact CG2-CG 3.91Å; I18-T25 HydrophobicContact CG2-CG2 4.09Å; I18-L75 HydrophobicContact CD1-CD1 4.42Å; I18-L75 HydrophobicContact CD1-CD2 4.09Å; I18-L75 HydrophobicContact CG1-CD2 4.46Å; I18-L75 HydrophobicContact CG2-CD1 4.04Å; I18-Y76 HydrophobicContact CD1-CE2 4.39Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.28Å; I18-V90 PolarHBondContact N-O 3.19Å; I18-I91 CarbonylContact O-C 3.6Å; I18-I91 WeakPolarHBondContact O-CA 3.27Å; I18-I92 PolarHBondContact O-N 3.23Å; I18-F109 HydrophobicContact CD1-CE1 4.29Å; I18-F109 HydrophobicContact CD1-CZ 3.89Å |
| 19 | D | 94.5 | Very high | 83.2 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 106.2 | 171.2 | 173.1 | 9.9 | 0 | 0 | 0 | 107.9 | T25 K26 I92 W356 | D19-T25 CarbonylContact O-C 3.57Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.47Å; D19-T25 WeakPolarHBondContact O-CG2 3.43Å; D19-K26 HydrophobicContact CB-CB 4.16Å; D19-K26 PolarHBondContact N-O 3.44Å; D19-K26 PolarHBondContact O-N 2.9Å; D19-K26 IonicContact OD2-NZ 2.81Å; D19-K26 PolarHBondContact OD2-NZ 2.88Å; D19-I92 HydrophobicContact CB-CB 4.14Å; D19-I92 HydrophobicContact CB-CD1 4.01Å; D19-W356 HydrophobicContact CB-CB 4.33Å |
| 20 | L | 91.5 | Very high | 85.6 | Confident | 27 Ų | 27 | 28.1 Ų | 28.1 | 14% | 0.141 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 99.3 | -177.8 | -69.8 | 171.3 | 0 | 0 | 0 | 109.9 | I18 T25 F71 I91 F101 L105 | I18-L20 HydrophobicContact CG2-CD2 3.93Å; I18-L20 HydrophobicContact CG2-CG 3.91Å; L20-T25 HydrophobicContact CD2-CG2 3.82Å; L20-F71 HydrophobicContact CD2-CD1 4.37Å; L20-F71 HydrophobicContact CD2-CE1 3.78Å; L20-I91 HydrophobicContact CD1-CG2 4.35Å; L20-F101 HydrophobicContact CD1-CE1 4.41Å; L20-F101 HydrophobicContact CD1-CZ 4.5Å; L20-L105 HydrophobicContact CD1-CD1 3.76Å; L20-L105 HydrophobicContact CD1-CD2 3.63Å; L20-L105 HydrophobicContact CD1-CG 4.37Å |
| 21 | G | 88 | Confident | 87.4 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | trans | -97.9 | 161.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A23 Y24 S41 V55 | G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 3.04Å; G21-Y24 VanDerWaalsContact CA-O 3.28Å; G21-Y24 WeakPolarHBondContact CA-O 3.48Å; G21-Y24 PolarHBondContact N-O 2.96Å; G21-S41 VanDerWaalsContact O-CB 3.23Å; G21-S41 WeakPolarHBondContact O-CB 3.49Å; G21-S41 PolarHBondContact O-OG 2.68Å; G21-V55 WeakPolarHBondContact O-CG2 3.43Å | ||
| 22 | A | 87.6 | Confident | 89.2 | Confident | 21 Ų | 21 | 26 Ų | 26 | 17% | 0.174 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -66 | -31.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y143 T144 | A22-Y143 HydrophobicContact CB-CD1 4.15Å; A22-T144 WeakPolarHBondContact CB-OG1 3.44Å |
| 23 | A | 89.1 | Confident | 90.4 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -102.3 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G21 P40 S41 Y143 | G21-A23 VanDerWaalsContact C-N 3.33Å; G21-A23 PolarHBondContact O-N 3.04Å; A23-P40 WeakPolarHBondContact O-CA 3.46Å; A23-S41 PolarHBondContact O-N 3.43Å; A23-Y143 HydrophobicContact CB-CD1 3.95Å; A23-Y143 HydrophobicContact CB-CD2 3.92Å; A23-Y143 HydrophobicContact CB-CE1 4.45Å; A23-Y143 HydrophobicContact CB-CE2 4.47Å; A23-Y143 HydrophobicContact CB-CG 3.64Å |
| 24 | Y | 92.4 | Very high | 91 | Very high | 77 Ų | 77 | 24.4 Ų | 24.4 | 30% | 0.302 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139 | -176.5 | -70.1 | -85 | 0 | 0 | 0 | 111.3 | G21 I38 I39 E208 | G21-Y24 VanDerWaalsContact CA-O 3.28Å; G21-Y24 WeakPolarHBondContact CA-O 3.48Å; G21-Y24 PolarHBondContact N-O 2.96Å; Y24-I38 HydrophobicContact CD1-CG2 4.02Å; Y24-I38 HydrophobicContact CG-CG2 4.37Å; Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.19Å; Y24-E208 WeakPolarHBondContact CE2-OE1 3.5Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.5Å; Y24-E208 PolarHBondContact OH-OE2 2.95Å |
| 25 | T | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.6 | 169.8 | -65.9 | 0 | 0 | 0 | 0 | 109.5 | I18 D19 L20 I39 S41 F71 L75 | I18-T25 HydrophobicContact CG2-CG2 4.09Å; D19-T25 CarbonylContact O-C 3.57Å; D19-T25 VanDerWaalsContact O-CA 3.25Å; D19-T25 WeakPolarHBondContact O-CA 3.47Å; D19-T25 WeakPolarHBondContact O-CG2 3.43Å; L20-T25 HydrophobicContact CD2-CG2 3.82Å; T25-I39 HydrophobicContact CG2-CG1 4.49Å; T25-I39 PolarHBondContact N-O 3.06Å; T25-I39 PolarHBondContact O-N 3.25Å; T25-S41 PolarHBondContact N-OG 2.65Å; T25-S41 VanDerWaalsContact N-OG 3.12Å; T25-S41 PolarHBondContact OG1-OG 2.81Å; T25-F71 HydrophobicContact CG2-CE1 3.91Å; T25-F71 HydrophobicContact CG2-CZ 3.94Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.44Å; T25-L75 HydrophobicContact CG2-CD1 3.96Å |
| 26 | K | 94.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.1 | 176.9 | -54.5 | 165.1 | -167.3 | 80.3 | 0 | 108.6 | D19 P35 I38 N352 W356 | D19-K26 HydrophobicContact CB-CB 4.16Å; D19-K26 PolarHBondContact N-O 3.44Å; D19-K26 PolarHBondContact O-N 2.9Å; D19-K26 IonicContact OD2-NZ 2.81Å; D19-K26 PolarHBondContact OD2-NZ 2.88Å; K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.41Å; K26-I38 HydrophobicContact CG-CG1 4.12Å; K26-I38 HydrophobicContact CG-CG2 4.08Å; K26-N352 VanDerWaalsContact CE-CG 3.42Å; K26-N352 WeakPolarHBondContact CE-O 3.5Å; K26-N352 WeakPolarHBondContact CE-OD1 3.33Å; K26-N352 PolarHBondContact NZ-OD1 3.06Å; K26-W356 HydrophobicContact CB-CB 4.38Å; K26-W356 HydrophobicContact CB-CG 4.11Å; K26-W356 HydrophobicContact CD-CB 4.25Å |
| 27 | C | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.8 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | V17 R36 F37 L75 L80 | V17-C27 WeakPolarHBondContact O-CA 3.48Å; C27-R36 PolarHBondContact O-N 3.4Å; C27-F37 PolarHBondContact N-O 3.17Å; C27-F37 PolarHBondContact O-N 3.27Å; C27-F37 VanDerWaalsContact O-N 3.12Å; C27-L75 HydrophobicContact CB-CD1 4.09Å; C27-L75 HydrophobicContact CB-CD2 4.05Å; C27-L75 HydrophobicContact CB-CG 4.18Å; C27-L80 HydrophobicContact CB-CD2 4.36Å |
| 28 | G | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -159.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V17 | V17-G28 PolarHBondContact N-O 2.79Å; V17-G28 PolarHBondContact O-N 3.11Å |
| 29 | F | 91.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 149.8 | -177.4 | -61.3 | -91 | 0 | 0 | 0 | 111.7 | I16 E32 R36 L80 V82 | I16-F29 HydrophobicContact CG1-CD1 4.35Å; I16-F29 HydrophobicContact CG1-CE1 4.25Å; F29-E32 HydrophobicContact CB-CG 4.13Å; F29-E32 PolarHBondContact N-OE2 2.8Å; F29-E32 VanDerWaalsContact N-OE2 3.07Å; F29-E32 PolarHBondContact O-N 2.79Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.41Å; F29-L80 HydrophobicContact CE2-CD2 4.19Å; F29-L80 HydrophobicContact CZ-CD2 4.42Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.31Å; F29-V82 HydrophobicContact CZ-CG1 3.86Å; F29-V82 HydrophobicContact CZ-CG2 4.3Å |
| 30 | A | 90.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 141.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A15 V17 E32 G363 | A15-A30 HydrophobicContact CB-CB 4.05Å; A15-A30 WeakPolarHBondContact O-CB 3.36Å; A15-A30 PolarHBondContact O-N 3.3Å; V17-A30 HydrophobicContact CG2-CB 4.09Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-G363 VanDerWaalsContact CB-C 3.49Å |
| 31 | G | 86.3 | Confident | 91.2 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 58% | 0.577 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -5.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A360 | G31-A360 PolarHBondContact N-O 2.97Š|
| 32 | E | 89.4 | Confident | 91.3 | Very high | 49 Ų | 49 | 38.1 Ų | 38.1 | 23% | 0.229 | 22% | 0.22 | C | C | . | . | trans | -81.2 | 148.6 | 173.2 | -63 | -176.3 | 146.4 | 0 | 0 | 111.6 | F29 A30 G34 R36 W356 | F29-E32 HydrophobicContact CB-CG 4.13Å; F29-E32 PolarHBondContact N-OE2 2.8Å; F29-E32 VanDerWaalsContact N-OE2 3.07Å; F29-E32 PolarHBondContact O-N 2.79Å; A30-E32 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.06Å; E32-R36 IonicContact OE1-CZ 3.35Å; E32-R36 IonicContact OE1-NE 3.53Å; E32-R36 PolarHBondContact OE1-NE 2.87Å; E32-R36 IonicContact OE1-NH2 2.82Å; E32-R36 PolarHBondContact OE1-NH2 2.72Å; E32-R36 VanDerWaalsContact OE2-CG 3.26Å; E32-R36 WeakPolarHBondContact OE2-CG 3.4Å; E32-R36 IonicContact OE2-NE 3.48Å; E32-R36 PolarHBondContact OE2-NE 2.73Å; E32-W356 HydrophobicContact CB-CH2 4.22Å | ||
| 33 | T | 86.9 | Confident | 91.2 | Very high | 134 Ų | 134 | 37.3 Ų | 37.3 | 82% | 0.822 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -74.9 | -8.8 | -177.7 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 34 | G | 90.1 | Very high | 91 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -169.9 | 161.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E32 W356 | E32-G34 PolarHBondContact O-N 3.06Å; G34-W356 VanDerWaalsContact C-CH2 3.42Å; G34-W356 VanDerWaalsContact CA-CZ3 3.47Å; G34-W356 VanDerWaalsContact O-CH2 3.25Å; G34-W356 WeakPolarHBondContact O-CH2 3.49Å; G34-W356 WeakPolarHBondContact O-CZ3 3.28Å |
| 35 | P | 93.1 | Very high | 90.3 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | trans | -65.9 | 141.1 | -179 | 26.9 | -32.8 | 0 | 0 | 0 | 110.1 | K26 I38 C353 W356 | K26-P35 HydrophobicContact CB-CB 4.08Å; K26-P35 HydrophobicContact CB-CG 4.41Å; P35-I38 HydrophobicContact CB-CG1 4.45Å; P35-I38 HydrophobicContact CG-CD1 4.07Å; P35-I38 HydrophobicContact CG-CG1 4Å; P35-C353 HydrophobicContact CG-CB 4.45Å; P35-W356 HydrophobicContact CB-CD2 3.69Å; P35-W356 HydrophobicContact CB-CE3 4Å; P35-W356 HydrophobicContact CB-CG 4.14Å; P35-W356 HydrophobicContact CB-CH2 4.42Å; P35-W356 HydrophobicContact CB-CZ2 4.13Å; P35-W356 HydrophobicContact CB-CZ3 4.38Å; P35-W356 VanDerWaalsContact CD-CE3 3.48Å; P35-W356 HydrophobicContact CG-CD2 4.23Å; P35-W356 HydrophobicContact CG-CE3 4.24Å | ||
| 36 | R | 90.8 | Very high | 89.4 | Confident | 87 Ų | 87 | 50.6 Ų | 50.6 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -70.8 | -40 | 175.5 | -69 | -167.1 | 176.1 | -172.5 | 3.2 | 112 | C27 F29 E32 | C27-R36 PolarHBondContact O-N 3.4Å; F29-R36 VanDerWaalsContact CD2-CZ 3.41Å; F29-R36 VanDerWaalsContact CE2-CZ 3.41Å; E32-R36 IonicContact OE1-CZ 3.35Å; E32-R36 IonicContact OE1-NE 3.53Å; E32-R36 PolarHBondContact OE1-NE 2.87Å; E32-R36 IonicContact OE1-NH2 2.82Å; E32-R36 PolarHBondContact OE1-NH2 2.72Å; E32-R36 VanDerWaalsContact OE2-CG 3.26Å; E32-R36 WeakPolarHBondContact OE2-CG 3.4Å; E32-R36 IonicContact OE2-NE 3.48Å; E32-R36 PolarHBondContact OE2-NE 2.73Å |
| 37 | F | 93.5 | Very high | 88.4 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.4 | -177.1 | -56.9 | -79.4 | 0 | 0 | 0 | 110.4 | C27 I39 H79 | C27-F37 PolarHBondContact N-O 3.17Å; C27-F37 PolarHBondContact O-N 3.27Å; C27-F37 VanDerWaalsContact O-N 3.12Å; F37-I39 HydrophobicContact CB-CG2 4.36Å; F37-H79 HydrophobicContact CB-CB 4.42Å; F37-H79 AromaticContact CD1-ND1 3.78Å; F37-H79 HydrophobicContact CD2-CB 3.72Å; F37-H79 HydrophobicContact CE2-CB 4.09Å; F37-H79 WeakPolarHBondContact CE2-O 3.46Å; F37-H79 HydrophobicContact CG-CB 4Å; F37-H79 AromaticContact CG-ND1 3.84Å |
| 38 | I | 93.6 | Very high | 87.6 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 42% | 0.415 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 112.7 | 168.9 | -52 | -176.7 | 0 | 0 | 0 | 105.1 | Y24 K26 P35 | Y24-I38 HydrophobicContact CD1-CG2 4.02Å; Y24-I38 HydrophobicContact CG-CG2 4.37Å; K26-I38 HydrophobicContact CG-CG1 4.12Å; K26-I38 HydrophobicContact CG-CG2 4.08Å; P35-I38 HydrophobicContact CB-CG1 4.45Å; P35-I38 HydrophobicContact CG-CD1 4.07Å; P35-I38 HydrophobicContact CG-CG1 4Å |
| 39 | I | 93.1 | Very high | 86.4 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147 | -175.7 | 61.3 | 176 | 0 | 0 | 0 | 109.7 | Y24 T25 F37 F71 H79 | Y24-I39 CarbonylContact C-O 3.59Å; Y24-I39 WeakPolarHBondContact CA-O 3.19Å; T25-I39 HydrophobicContact CG2-CG1 4.49Å; T25-I39 PolarHBondContact N-O 3.06Å; T25-I39 PolarHBondContact O-N 3.25Å; F37-I39 HydrophobicContact CB-CG2 4.36Å; I39-F71 HydrophobicContact CD1-CE2 3.85Å; I39-F71 HydrophobicContact CD1-CZ 3.75Å; I39-F71 HydrophobicContact CG1-CE2 4.5Å; I39-F71 HydrophobicContact CG1-CZ 4.23Å; I39-H79 VanDerWaalsContact CG2-CE1 3.48Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.42Å |
| 40 | P | 91.3 | Very high | 85.5 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 41% | 0.409 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 140 | 170.5 | 26.7 | -33.3 | 0 | 0 | 0 | 109.5 | A23 E42 | A23-P40 WeakPolarHBondContact O-CA 3.46Å; P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 3.24Å |
| 41 | S | 90.4 | Very high | 85 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -78.5 | 51.6 | 179.4 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | G21 A23 T25 V54 | G21-S41 VanDerWaalsContact O-CB 3.23Å; G21-S41 WeakPolarHBondContact O-CB 3.49Å; G21-S41 PolarHBondContact O-OG 2.68Å; A23-S41 PolarHBondContact O-N 3.43Å; T25-S41 PolarHBondContact N-OG 2.65Å; T25-S41 VanDerWaalsContact N-OG 3.12Å; T25-S41 PolarHBondContact OG1-OG 2.81Å; S41-V54 WeakPolarHBondContact O-CB 3.33Å; S41-V54 WeakPolarHBondContact O-CG2 3.27Å; S41-V54 PolarHBondContact O-N 3.11Å |
| 42 | E | 89.9 | Confident | 84.9 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 22% | 0.224 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.1 | -172.6 | -48.3 | -172.4 | 171.3 | 0 | 0 | 111.1 | P40 A51 T52 K53 | P40-E42 HydrophobicContact CB-CG 4.32Å; P40-E42 PolarHBondContact O-N 3.24Å; E42-A51 HydrophobicContact CB-CB 4Å; E42-A51 WeakPolarHBondContact OE2-CB 3.42Å; E42-T52 CarbonylContact C-O 3.59Å; E42-T52 WeakPolarHBondContact CA-O 2.78Å; E42-K53 HydrophobicContact CG-CG 4.36Å |
| 43 | I | 87.4 | Confident | 84.7 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128 | 176.3 | -52.5 | 176.7 | 0 | 0 | 0 | 108.4 | K45 T52 V54 I67 E70 F71 I74 | I43-K45 HydrophobicContact CG2-CG 4.43Å; I43-T52 PolarHBondContact N-O 3.02Å; I43-T52 PolarHBondContact O-N 3.4Å; I43-V54 HydrophobicContact CD1-CG2 4.04Å; I43-V54 HydrophobicContact CG1-CG2 3.65Å; I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 WeakPolarHBondContact CD1-O 3.29Å; I43-E70 HydrophobicContact CD1-CB 4.07Å; I43-E70 HydrophobicContact CD1-CG 4.25Å; I43-E70 HydrophobicContact CG2-CG 4.06Å; I43-E70 WeakPolarHBondContact CG2-OE1 3.32Å; I43-F71 HydrophobicContact CD1-CB 3.81Å; I43-F71 HydrophobicContact CG1-CB 4.23Å; I43-F71 HydrophobicContact CG1-CD2 4.17Å; I43-I74 HydrophobicContact CG2-CD1 4.47Å |
| 44 | R | 84 | Confident | 84.6 | Confident | 166 Ų | 166 | 71.1 Ų | 71.1 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | trans | -100.2 | 104.8 | 171.5 | -65.8 | -175.4 | -178.5 | -172.5 | 0.9 | 108.7 | A51 E205 | R44-A51 HydrophobicContact CG-CB 3.84Å; R44-E205 IonicContact CZ-OE1 3.84Å; R44-E205 IonicContact NH2-OE1 3.53Å; R44-E205 PolarHBondContact NH2-OE1 3.38Å; R44-E205 IonicContact NH2-OE2 2.96Å; R44-E205 PolarHBondContact NH2-OE2 2.95Å | ||
| 45 | K | 78.1 | Confident | 84.2 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | trans | -77 | 139.9 | 174.8 | -72.2 | -178.6 | 179.1 | 174.8 | 0 | 110.2 | I43 G47 Q48 E70 | I43-K45 HydrophobicContact CG2-CG 4.43Å; K45-G47 PolarHBondContact O-N 3.28Å; K45-G47 VanDerWaalsContact O-N 3.13Å; K45-Q48 PolarHBondContact O-N 2.96Å; K45-Q48 VanDerWaalsContact O-N 3.12Å; K45-E70 VanDerWaalsContact CE-OE2 3.27Å; K45-E70 WeakPolarHBondContact CE-OE2 3.28Å | ||
| 46 | P | 75.4 | Confident | 83.7 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 86% | 0.864 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 119.4 | 176 | 24.6 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 47 | G | 73.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 90% | 0.897 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -7.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | K45 | K45-G47 PolarHBondContact O-N 3.28Å; K45-G47 VanDerWaalsContact O-N 3.13Å |
| 48 | Q | 77.8 | Confident | 82.5 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | trans | -100.5 | 129.9 | 169.4 | -75.9 | -179 | -27.6 | 0 | 0 | 110.5 | K45 | K45-Q48 PolarHBondContact O-N 2.96Å; K45-Q48 VanDerWaalsContact O-N 3.12Å | ||
| 49 | Q | 67 | Low | 82.1 | Confident | 213 Ų | 213 | 74.5 Ų | 74.5 | 100% | 0.995 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -74.2 | -28.5 | 176.2 | -74.3 | -175.9 | -13.6 | 0 | 0 | 112.5 | ||
| 50 | Q | 73.4 | Confident | 81.9 | Confident | 167 Ų | 167 | 78.1 Ų | 78.1 | 78% | 0.78 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -100.5 | 133.4 | -178.6 | -161.2 | 166.5 | 28.2 | 0 | 0 | 111.1 | ||
| 51 | A | 80.9 | Confident | 81.7 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 20% | 0.198 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 136.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | E42 R44 | E42-A51 HydrophobicContact CB-CB 4Å; E42-A51 WeakPolarHBondContact OE2-CB 3.42Å; R44-A51 HydrophobicContact CG-CB 3.84Å |
| 52 | T | 83 | Confident | 81.7 | Confident | 34 Ų | 34 | 84.8 Ų | 84.8 | 21% | 0.209 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.9 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | E42 I43 I67 | E42-T52 CarbonylContact C-O 3.59Å; E42-T52 WeakPolarHBondContact CA-O 2.78Å; I43-T52 PolarHBondContact N-O 3.02Å; I43-T52 PolarHBondContact O-N 3.4Å; T52-I67 HydrophobicContact CG2-CD1 4.17Å |
| 53 | K | 86.5 | Confident | 81.6 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 25% | 0.248 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.5 | 175.3 | -65 | -175.4 | 177.5 | 173 | 0 | 110.7 | E42 Q56 E204 | E42-K53 HydrophobicContact CG-CG 4.36Å; K53-Q56 WeakPolarHBondContact O-CG 3.47Å; K53-Q56 PolarHBondContact O-NE2 3.11Å; K53-E204 IonicContact NZ-OE1 3.21Å; K53-E204 PolarHBondContact NZ-OE1 2.88Å; K53-E204 IonicContact NZ-OE2 3.73Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å |
| 54 | V | 84.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -77.5 | -44.5 | -175.3 | 176 | 0 | 0 | 0 | 0 | 111.8 | S41 I43 Q56 I67 L68 F71 | S41-V54 WeakPolarHBondContact O-CB 3.33Å; S41-V54 WeakPolarHBondContact O-CG2 3.27Å; S41-V54 PolarHBondContact O-N 3.11Å; I43-V54 HydrophobicContact CD1-CG2 4.04Å; I43-V54 HydrophobicContact CG1-CG2 3.65Å; V54-Q56 PolarHBondContact O-N 3.26Å; V54-I67 HydrophobicContact CB-CG2 4.42Å; V54-I67 HydrophobicContact CG1-CG2 4.32Å; V54-I67 HydrophobicContact CG2-CG2 4.46Å; V54-L68 HydrophobicContact CG1-CD2 3.8Å; V54-F71 HydrophobicContact CB-CG 4.36Å; V54-F71 HydrophobicContact CG1-CB 4Å; V54-F71 HydrophobicContact CG1-CD1 3.78Å; V54-F71 HydrophobicContact CG1-CD2 4.46Å; V54-F71 HydrophobicContact CG1-CE1 4.34Å; V54-F71 HydrophobicContact CG1-CG 3.83Å; V54-F71 HydrophobicContact CG2-CB 3.98Å; V54-F71 HydrophobicContact CG2-CD1 4.27Å; V54-F71 HydrophobicContact CG2-CD2 3.46Å; V54-F71 VanDerWaalsContact CG2-CD2 3.46Å; V54-F71 HydrophobicContact CG2-CE2 3.93Å; V54-F71 HydrophobicContact CG2-CG 3.64Å; V54-F71 HydrophobicContact CG2-CZ 4.49Å |
| 55 | V | 81.8 | Confident | 82.1 | Confident | 17 Ų | 17 | 82.6 Ų | 82.6 | 10% | 0.103 | 43% | 0.434 | C | S | . | . | trans | -87.8 | 97.6 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | G21 Y57 F101 | G21-V55 WeakPolarHBondContact O-CG2 3.43Å; V55-Y57 HydrophobicContact CG1-CE1 3.71Å; V55-Y57 HydrophobicContact CG1-CE2 4.46Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.31Å; V55-F101 HydrophobicContact CG1-CE2 4.31Å; V55-F101 HydrophobicContact CG1-CZ 4.33Å; V55-F101 HydrophobicContact CG2-CZ 4.3Å | ||
| 56 | Q | 82.3 | Confident | 82.8 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | trans | -129.2 | 138.2 | 175.9 | -56.8 | -172.7 | 16.4 | 0 | 0 | 109.6 | K53 V54 I59 | K53-Q56 WeakPolarHBondContact O-CG 3.47Å; K53-Q56 PolarHBondContact O-NE2 3.11Å; V54-Q56 PolarHBondContact O-N 3.26Å; Q56-I59 HydrophobicContact CB-CG2 4.24Å | ||
| 57 | Y | 78.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 35% | 0.353 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -103.4 | -24.8 | -171.8 | -57.3 | -53.4 | 0 | 0 | 0 | 114.1 | V55 P98 F101 | V55-Y57 HydrophobicContact CG1-CE1 3.71Å; V55-Y57 HydrophobicContact CG1-CE2 4.46Å; V55-Y57 WeakPolarHBondContact CG1-OH 3.31Å; Y57-P98 HydrophobicContact CD1-CG 3.63Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 3.93Å; Y57-F101 HydrophobicContact CD1-CB 4.44Å |
| 58 | N | 79.5 | Confident | 84.4 | Confident | 169 Ų | 169 | 71.1 Ų | 71.1 | 90% | 0.904 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -114.7 | 56.2 | -174 | -64 | -16.3 | 0 | 0 | 0 | 111.6 | ||
| 59 | I | 85.2 | Confident | 85.2 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -129.9 | 163.2 | -176 | -169.4 | 166.1 | 0 | 0 | 0 | 110.5 | Q56 E63 L64 I67 | Q56-I59 HydrophobicContact CB-CG2 4.24Å; I59-E63 HydrophobicContact CD1-CB 4.14Å; I59-E63 VanDerWaalsContact CD1-CD 3.48Å; I59-E63 HydrophobicContact CD1-CG 3.67Å; I59-E63 HydrophobicContact CG1-CB 4.11Å; I59-E63 HydrophobicContact CG1-CG 4.15Å; I59-E63 WeakPolarHBondContact CG1-OE2 3.39Å; I59-L64 HydrophobicContact CG2-CB 3.76Å; I59-L64 HydrophobicContact CG2-CD1 4.12Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.28Å; I59-I67 HydrophobicContact CD1-CD1 4.02Å |
| 60 | N | 89.8 | Confident | 86.4 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | trans | -65.4 | 144.2 | 174.7 | -171.3 | 17.3 | 0 | 0 | 0 | 111.6 | E62 E63 L64 | N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.44Å; N60-E63 HydrophobicContact CB-CB 4.43Å; N60-E63 PolarHBondContact O-N 3.02Å; N60-L64 WeakPolarHBondContact O-CB 3.07Å; N60-L64 PolarHBondContact O-N 3.42Å | ||
| 61 | T | 87.6 | Confident | 87.4 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.1 | -45.1 | 179.5 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | Y65 H100 | T61-Y65 VanDerWaalsContact O-CB 3.25Å; T61-Y65 WeakPolarHBondContact O-CB 3.34Å; T61-Y65 PolarHBondContact O-N 2.84Å; T61-H100 WeakPolarHBondContact CG2-CE1 3.08Å |
| 62 | E | 89.4 | Confident | 88 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.9 | -38.8 | -175.6 | -63.4 | -176.4 | 170.5 | 0 | 0 | 111.9 | N60 Y65 A66 | N60-E62 VanDerWaalsContact C-N 3.33Å; N60-E62 PolarHBondContact O-N 3.44Å; E62-Y65 PolarHBondContact O-N 2.89Å; E62-A66 PolarHBondContact O-N 3.43Å |
| 63 | E | 88.9 | Confident | 88.5 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.5 | -45 | 177.8 | -171.7 | 174.2 | -171.5 | 0 | 0 | 110.8 | I59 N60 Y65 A66 I67 | I59-E63 HydrophobicContact CD1-CB 4.14Å; I59-E63 VanDerWaalsContact CD1-CD 3.48Å; I59-E63 HydrophobicContact CD1-CG 3.67Å; I59-E63 HydrophobicContact CG1-CB 4.11Å; I59-E63 HydrophobicContact CG1-CG 4.15Å; I59-E63 WeakPolarHBondContact CG1-OE2 3.39Å; N60-E63 HydrophobicContact CB-CB 4.43Å; N60-E63 PolarHBondContact O-N 3.02Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.43Å; E63-A66 PolarHBondContact O-N 3.3Å; E63-I67 HydrophobicContact CG-CD1 4.09Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 3.27Å |
| 64 | L | 89.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 172.9 | -175.7 | 58.6 | 0 | 0 | 0 | 111.7 | I59 N60 A66 I67 L68 F101 T104 | I59-L64 HydrophobicContact CG2-CB 3.76Å; I59-L64 HydrophobicContact CG2-CD1 4.12Å; I59-L64 HydrophobicContact CG2-CD2 4.33Å; I59-L64 HydrophobicContact CG2-CG 4.28Å; N60-L64 WeakPolarHBondContact O-CB 3.07Å; N60-L64 PolarHBondContact O-N 3.42Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.66Å; L64-I67 PolarHBondContact O-N 2.91Å; L64-L68 HydrophobicContact CD1-CD1 4.02Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.14Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.27Å; L64-F101 HydrophobicContact CD1-CD2 4.07Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.05Å; L64-T104 HydrophobicContact CB-CG2 4.18Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.88Å |
| 65 | Y | 92.1 | Very high | 89.1 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.1 | -177.1 | -88.8 | 0 | 0 | 0 | 111.7 | T61 E62 E63 K69 T104 K107 V108 | T61-Y65 VanDerWaalsContact O-CB 3.25Å; T61-Y65 WeakPolarHBondContact O-CB 3.34Å; T61-Y65 PolarHBondContact O-N 2.84Å; E62-Y65 PolarHBondContact O-N 2.89Å; E63-Y65 VanDerWaalsContact C-N 3.29Å; E63-Y65 PolarHBondContact O-N 3.43Å; Y65-K69 HydrophobicContact CE1-CD 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.38Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; Y65-K107 HydrophobicContact CD2-CB 4.33Å; Y65-K107 HydrophobicContact CE2-CB 4.07Å; Y65-V108 HydrophobicContact CD2-CG2 3.35Å; Y65-V108 HydrophobicContact CE2-CB 4.23Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.01Å |
| 66 | A | 91.9 | Very high | 89.5 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | E62 E63 L64 K69 E70 | E62-A66 PolarHBondContact O-N 3.43Å; E63-A66 PolarHBondContact O-N 3.3Å; L64-A66 VanDerWaalsContact C-N 3.35Å; L64-A66 PolarHBondContact O-N 2.66Å; A66-K69 PolarHBondContact O-N 3.25Å; A66-E70 PolarHBondContact O-N 3.24Å |
| 67 | I | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 177.8 | -68.1 | 168 | 0 | 0 | 0 | 110.5 | I43 T52 V54 I59 E63 L64 K69 E70 F71 | I43-I67 HydrophobicContact CD1-CG2 3.79Å; I43-I67 WeakPolarHBondContact CD1-O 3.29Å; T52-I67 HydrophobicContact CG2-CD1 4.17Å; V54-I67 HydrophobicContact CB-CG2 4.42Å; V54-I67 HydrophobicContact CG1-CG2 4.32Å; V54-I67 HydrophobicContact CG2-CG2 4.46Å; I59-I67 HydrophobicContact CD1-CD1 4.02Å; E63-I67 HydrophobicContact CG-CD1 4.09Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.35Å; E63-I67 PolarHBondContact O-N 3.27Å; L64-I67 PolarHBondContact O-N 2.91Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.98Å; I67-E70 PolarHBondContact O-N 3.38Å; I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.08Å |
| 68 | L | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.5 | -73.5 | 175.3 | 0 | 0 | 0 | 112.1 | V54 L64 F71 I72 F101 T104 L105 V108 | V54-L68 HydrophobicContact CG1-CD2 3.8Å; L64-L68 HydrophobicContact CD1-CD1 4.02Å; L64-L68 HydrophobicContact CD1-CG 4.09Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.14Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.27Å; L68-F71 PolarHBondContact O-N 3.3Å; L68-I72 WeakPolarHBondContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.5Å; L68-F101 HydrophobicContact CD1-CE2 4.24Å; L68-F101 HydrophobicContact CD2-CE2 4.05Å; L68-F101 HydrophobicContact CD2-CZ 4.01Å; L68-T104 HydrophobicContact CD1-CG2 4.15Å; L68-L105 HydrophobicContact CD1-CB 4.27Å; L68-L105 HydrophobicContact CD1-CD1 4Å; L68-L105 HydrophobicContact CD2-CD1 3.88Å; L68-L105 HydrophobicContact CG-CD1 4.43Å; L68-V108 HydrophobicContact CB-CG2 4.02Å |
| 69 | K | 93.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 175.1 | 169.9 | 174.3 | 172.3 | 173.7 | 0 | 111.6 | Y65 A66 I67 H73 V108 Q112 | Y65-K69 HydrophobicContact CE1-CD 4.45Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.38Å; A66-K69 PolarHBondContact O-N 3.25Å; I67-K69 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.98Å; K69-H73 VanDerWaalsContact O-CB 3.26Å; K69-H73 WeakPolarHBondContact O-CB 2.97Å; K69-H73 PolarHBondContact O-N 3.41Å; K69-V108 HydrophobicContact CB-CG1 4.31Å; K69-Q112 HydrophobicContact CD-CG 3.89Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.06Å |
| 70 | E | 92.6 | Very high | 91 | Very high | 63 Ų | 63 | 55.3 Ų | 55.3 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 179.3 | -174.4 | 174 | -179.9 | 0 | 0 | 111 | I43 K45 A66 I67 H73 I74 | I43-E70 HydrophobicContact CD1-CB 4.07Å; I43-E70 HydrophobicContact CD1-CG 4.25Å; I43-E70 HydrophobicContact CG2-CG 4.06Å; I43-E70 WeakPolarHBondContact CG2-OE1 3.32Å; K45-E70 VanDerWaalsContact CE-OE2 3.27Å; K45-E70 WeakPolarHBondContact CE-OE2 3.28Å; A66-E70 PolarHBondContact O-N 3.24Å; I67-E70 PolarHBondContact O-N 3.38Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 3.15Å; E70-I74 HydrophobicContact CG-CD1 4.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.2Å |
| 71 | F | 93.3 | Very high | 91 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 178.2 | -173.9 | -114 | 0 | 0 | 0 | 113 | L20 T25 I39 I43 V54 I67 L68 H73 I74 L75 | L20-F71 HydrophobicContact CD2-CD1 4.37Å; L20-F71 HydrophobicContact CD2-CE1 3.78Å; T25-F71 HydrophobicContact CG2-CE1 3.91Å; T25-F71 HydrophobicContact CG2-CZ 3.94Å; T25-F71 WeakPolarHBondContact OG1-CZ 3.44Å; I39-F71 HydrophobicContact CD1-CE2 3.85Å; I39-F71 HydrophobicContact CD1-CZ 3.75Å; I39-F71 HydrophobicContact CG1-CE2 4.5Å; I39-F71 HydrophobicContact CG1-CZ 4.23Å; I43-F71 HydrophobicContact CD1-CB 3.81Å; I43-F71 HydrophobicContact CG1-CB 4.23Å; I43-F71 HydrophobicContact CG1-CD2 4.17Å; V54-F71 HydrophobicContact CB-CG 4.36Å; V54-F71 HydrophobicContact CG1-CB 4Å; V54-F71 HydrophobicContact CG1-CD1 3.78Å; V54-F71 HydrophobicContact CG1-CD2 4.46Å; V54-F71 HydrophobicContact CG1-CE1 4.34Å; V54-F71 HydrophobicContact CG1-CG 3.83Å; V54-F71 HydrophobicContact CG2-CB 3.98Å; V54-F71 HydrophobicContact CG2-CD1 4.27Å; V54-F71 HydrophobicContact CG2-CD2 3.46Å; V54-F71 VanDerWaalsContact CG2-CD2 3.46Å; V54-F71 HydrophobicContact CG2-CE2 3.93Å; V54-F71 HydrophobicContact CG2-CG 3.64Å; V54-F71 HydrophobicContact CG2-CZ 4.49Å; I67-F71 WeakPolarHBondContact O-CB 3.31Å; I67-F71 PolarHBondContact O-N 3.08Å; L68-F71 PolarHBondContact O-N 3.3Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 2.81Å; F71-I74 PolarHBondContact O-N 3.18Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 WeakPolarHBondContact O-CB 3.29Å; F71-L75 PolarHBondContact O-N 3.01Å |
| 72 | I | 93.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -36 | 178.9 | -67.5 | 167.1 | 0 | 0 | 0 | 110.1 | L68 I74 L75 Y76 L105 V108 F109 F113 | L68-I72 WeakPolarHBondContact O-CB 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 3.43Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 3.5Å; I72-I74 PolarHBondContact O-N 2.99Å; I72-L75 PolarHBondContact O-N 2.87Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 WeakPolarHBondContact O-CD2 3.03Å; I72-Y76 PolarHBondContact O-N 3.48Å; I72-L105 HydrophobicContact CD1-CD1 3.97Å; I72-V108 HydrophobicContact CD1-CB 4.4Å; I72-V108 HydrophobicContact CD1-CG1 3.7Å; I72-F109 HydrophobicContact CD1-CD2 4.33Å; I72-F109 HydrophobicContact CD1-CE1 4.13Å; I72-F109 HydrophobicContact CD1-CE2 3.74Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.2Å; I72-F109 HydrophobicContact CG2-CE1 4.03Å; I72-F109 HydrophobicContact CG2-CZ 4.38Å; I72-F113 HydrophobicContact CB-CE2 3.7Å; I72-F113 HydrophobicContact CB-CZ 3.93Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.23Å; I72-F113 HydrophobicContact CG2-CE2 3.36Å; I72-F113 HydrophobicContact CG2-CG 4.42Å; I72-F113 HydrophobicContact CG2-CZ 3.59Å |
| 73 | H | 93.1 | Very high | 91.1 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 173.8 | -172.9 | 85.6 | 0 | 0 | 0 | 111.2 | K69 E70 F71 L75 Y76 F77 F113 | K69-H73 VanDerWaalsContact O-CB 3.26Å; K69-H73 WeakPolarHBondContact O-CB 2.97Å; K69-H73 PolarHBondContact O-N 3.41Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 3.15Å; F71-H73 VanDerWaalsContact C-N 3.27Å; F71-H73 PolarHBondContact O-N 2.81Å; H73-L75 VanDerWaalsContact C-N 3.33Å; H73-L75 PolarHBondContact O-N 3.19Å; H73-Y76 PolarHBondContact O-N 3.27Å; H73-F77 AromaticContact CE1-CD2 3.26Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.38Å; H73-F77 AromaticContact CE1-CE2 3.37Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.23Å; H73-F77 AromaticContact CE1-CG 3.99Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact ND1-CD2 3.28Å; H73-F77 VanDerWaalsContact ND1-CD2 3.28Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.39Å; H73-F77 AromaticContact ND1-CE2 3.3Å; H73-F77 VanDerWaalsContact ND1-CE2 3.3Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.13Å; H73-F77 AromaticContact NE2-CD2 3.74Å; H73-F77 WeakPolarHBondContact O-CB 3.28Å; H73-F77 VanDerWaalsContact O-CD2 3.31Å; H73-F77 WeakPolarHBondContact O-CD2 3.3Å; H73-F77 PolarHBondContact O-N 2.99Å; H73-F113 HydrophobicContact CB-CZ 4.18Å |
| 74 | I | 91.8 | Very high | 91.1 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 27% | 0.272 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.6 | -45 | 174.8 | -65.5 | 165.6 | 0 | 0 | 0 | 110.6 | I43 E70 F71 I72 Y76 R78 | I43-I74 HydrophobicContact CG2-CD1 4.47Å; E70-I74 HydrophobicContact CG-CD1 4.44Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.2Å; F71-I74 PolarHBondContact O-N 3.18Å; I72-I74 PolarHBondContact O-N 2.99Å; I74-Y76 PolarHBondContact O-N 3.39Å; I74-R78 HydrophobicContact CG2-CB 4.18Å; I74-R78 WeakPolarHBondContact O-CA 3.17Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.08Å |
| 75 | L | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -58.5 | -47.8 | -179.3 | -167.6 | 154.5 | 0 | 0 | 0 | 112 | I18 T25 C27 F71 I72 H73 H79 L80 | I18-L75 HydrophobicContact CD1-CD1 4.42Å; I18-L75 HydrophobicContact CD1-CD2 4.09Å; I18-L75 HydrophobicContact CG1-CD2 4.46Å; I18-L75 HydrophobicContact CG2-CD1 4.04Å; T25-L75 HydrophobicContact CG2-CD1 3.96Å; C27-L75 HydrophobicContact CB-CD1 4.09Å; C27-L75 HydrophobicContact CB-CD2 4.05Å; C27-L75 HydrophobicContact CB-CG 4.18Å; F71-L75 HydrophobicContact CE1-CD1 4.28Å; F71-L75 WeakPolarHBondContact O-CB 3.29Å; F71-L75 PolarHBondContact O-N 3.01Å; I72-L75 PolarHBondContact O-N 2.87Å; H73-L75 VanDerWaalsContact C-N 3.33Å; H73-L75 PolarHBondContact O-N 3.19Å; L75-H79 WeakPolarHBondContact O-CB 3.31Å; L75-H79 PolarHBondContact O-N 3.33Å; L75-L80 HydrophobicContact CD2-CD1 3.39Å; L75-L80 HydrophobicContact CD2-CG 3.9Å; L75-L80 PolarHBondContact O-N 3.41Å |
| 76 | Y | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -73.9 | -47.9 | -179.7 | -85 | -90 | 0 | 0 | 0 | 113.4 | I16 I18 I72 H73 I74 L80 L81 V82 P84 V89 F109 | I16-Y76 HydrophobicContact CD1-CD1 4.24Å; I16-Y76 HydrophobicContact CD1-CE1 3.28Å; I18-Y76 HydrophobicContact CD1-CE2 4.39Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 WeakPolarHBondContact O-CD2 3.03Å; I72-Y76 PolarHBondContact O-N 3.48Å; H73-Y76 PolarHBondContact O-N 3.27Å; I74-Y76 PolarHBondContact O-N 3.39Å; Y76-L80 HydrophobicContact CD1-CD1 4.38Å; Y76-L80 HydrophobicContact CE1-CD1 4.38Å; Y76-L81 WeakPolarHBondContact O-CA 3.28Å; Y76-L81 PolarHBondContact O-N 3.28Å; Y76-V82 HydrophobicContact CD1-CG2 4.17Å; Y76-V82 HydrophobicContact CE1-CG2 4.41Å; Y76-P84 HydrophobicContact CD1-CB 3.79Å; Y76-P84 HydrophobicContact CD1-CG 4.16Å; Y76-P84 HydrophobicContact CE1-CB 3.51Å; Y76-P84 HydrophobicContact CE1-CG 4.38Å; Y76-P84 HydrophobicContact CE2-CB 4.38Å; Y76-P84 HydrophobicContact CG-CB 4.3Å; Y76-P84 HydrophobicContact CG-CG 4.42Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.27Å; Y76-F109 HydrophobicContact CE2-CE1 4.1Å |
| 77 | F | 90.6 | Very high | 90.7 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -87.2 | -26.1 | -169.7 | -71.1 | -81.3 | 0 | 0 | 0 | 113.9 | H73 L81 | H73-F77 AromaticContact CE1-CD2 3.26Å; H73-F77 WeakPolarHBondContact CE1-CD2 3.38Å; H73-F77 AromaticContact CE1-CE2 3.37Å; H73-F77 WeakPolarHBondContact CE1-CE2 3.23Å; H73-F77 AromaticContact CE1-CG 3.99Å; H73-F77 AromaticContact CG-CD2 3.76Å; H73-F77 AromaticContact ND1-CD2 3.28Å; H73-F77 VanDerWaalsContact ND1-CD2 3.28Å; H73-F77 WeakPolarHBondContact ND1-CD2 3.39Å; H73-F77 AromaticContact ND1-CE2 3.3Å; H73-F77 VanDerWaalsContact ND1-CE2 3.3Å; H73-F77 WeakPolarHBondContact ND1-CE2 3.13Å; H73-F77 AromaticContact NE2-CD2 3.74Å; H73-F77 WeakPolarHBondContact O-CB 3.28Å; H73-F77 VanDerWaalsContact O-CD2 3.31Å; H73-F77 WeakPolarHBondContact O-CD2 3.3Å; H73-F77 PolarHBondContact O-N 2.99Å; F77-L81 VanDerWaalsContact O-CD2 3.24Å; F77-L81 WeakPolarHBondContact O-CD2 3.47Å |
| 78 | R | 89.3 | Confident | 90.6 | Very high | 192 Ų | 192 | 53.7 Ų | 53.7 | 73% | 0.725 | 24% | 0.241 | S | C | * | . | I | π-helix | trans | -96 | -38.4 | 177.9 | -169.4 | 177.8 | 178 | 160.4 | -1.9 | 112.6 | I74 | I74-R78 HydrophobicContact CG2-CB 4.18Å; I74-R78 WeakPolarHBondContact O-CA 3.17Å; I74-R78 WeakPolarHBondContact O-CB 3.42Å; I74-R78 PolarHBondContact O-N 3.08Å |
| 79 | H | 88.4 | Confident | 90.5 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -102 | -61.9 | -172.8 | -62.1 | -77.9 | 0 | 0 | 0 | 112.4 | F37 I39 L75 L81 | F37-H79 HydrophobicContact CB-CB 4.42Å; F37-H79 AromaticContact CD1-ND1 3.78Å; F37-H79 HydrophobicContact CD2-CB 3.72Å; F37-H79 HydrophobicContact CE2-CB 4.09Å; F37-H79 WeakPolarHBondContact CE2-O 3.46Å; F37-H79 HydrophobicContact CG-CB 4Å; F37-H79 AromaticContact CG-ND1 3.84Å; I39-H79 VanDerWaalsContact CG2-CE1 3.48Å; I39-H79 WeakPolarHBondContact CG2-CE1 3.42Å; L75-H79 WeakPolarHBondContact O-CB 3.31Å; L75-H79 PolarHBondContact O-N 3.33Å; H79-L81 PolarHBondContact O-N 3.07Å |
| 80 | L | 88.8 | Confident | 90.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -75.2 | -25.5 | -173.2 | -61.7 | 178.5 | 0 | 0 | 0 | 113.7 | I16 C27 F29 L75 Y76 V82 | I16-L80 HydrophobicContact CD1-CD1 4.15Å; I16-L80 HydrophobicContact CG1-CD1 4.41Å; I16-L80 HydrophobicContact CG2-CD1 3.44Å; I16-L80 VanDerWaalsContact CG2-CD1 3.44Å; C27-L80 HydrophobicContact CB-CD2 4.36Å; F29-L80 HydrophobicContact CE2-CD2 4.19Å; F29-L80 HydrophobicContact CZ-CD2 4.42Å; L75-L80 HydrophobicContact CD2-CD1 3.39Å; L75-L80 HydrophobicContact CD2-CG 3.9Å; L75-L80 PolarHBondContact O-N 3.41Å; Y76-L80 HydrophobicContact CD1-CD1 4.38Å; Y76-L80 HydrophobicContact CE1-CD1 4.38Å; L80-V82 HydrophobicContact CB-CG2 3.81Å; L80-V82 WeakPolarHBondContact O-CG1 3.4Å; L80-V82 PolarHBondContact O-N 3.42Å |
| 81 | L | 89.9 | Confident | 90.6 | Very high | 99 Ų | 99 | 47 Ų | 47 | 52% | 0.518 | 21% | 0.211 | S | C | . | . | trans | 54.3 | 36.1 | 179.3 | -57.5 | 173.2 | 0 | 0 | 0 | 113.4 | F4 Y76 F77 H79 | F4-L81 HydrophobicContact CD2-CB 4.43Å; F4-L81 HydrophobicContact CE2-CB 3.9Å; F4-L81 HydrophobicContact CE2-CD1 3.86Å; F4-L81 HydrophobicContact CE2-CG 4.49Å; F4-L81 HydrophobicContact CZ-CD1 4.1Å; Y76-L81 WeakPolarHBondContact O-CA 3.28Å; Y76-L81 PolarHBondContact O-N 3.28Å; F77-L81 VanDerWaalsContact O-CD2 3.24Å; F77-L81 WeakPolarHBondContact O-CD2 3.47Å; H79-L81 PolarHBondContact O-N 3.07Å | ||
| 82 | V | 88.9 | Confident | 90.5 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -131.2 | 154.1 | -179.1 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | I16 F29 Y76 L80 P84 | I16-V82 HydrophobicContact CD1-CG2 3.75Å; F29-V82 HydrophobicContact CE1-CG1 4.08Å; F29-V82 HydrophobicContact CE1-CG2 4.31Å; F29-V82 HydrophobicContact CZ-CG1 3.86Å; F29-V82 HydrophobicContact CZ-CG2 4.3Å; Y76-V82 HydrophobicContact CD1-CG2 4.17Å; Y76-V82 HydrophobicContact CE1-CG2 4.41Å; L80-V82 HydrophobicContact CB-CG2 3.81Å; L80-V82 WeakPolarHBondContact O-CG1 3.4Å; L80-V82 PolarHBondContact O-N 3.42Å; V82-P84 WeakPolarHBondContact O-CD 3.24Å |
| 83 | N | 90 | Very high | 90.4 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | trans | -76.2 | 124.1 | 174.4 | -171 | -8.3 | 0 | 0 | 0 | 110.4 | R85 D86 | N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.98Å; N83-R85 PolarHBondContact OD1-N 3.19Å; N83-D86 PolarHBondContact O-N 2.93Å | ||
| 84 | P | 88.6 | Confident | 90.1 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -62.3 | -27.6 | 177.7 | 19.2 | -29.8 | 0 | 0 | 0 | 114.4 | Y76 V82 D86 F113 V115 | Y76-P84 HydrophobicContact CD1-CB 3.79Å; Y76-P84 HydrophobicContact CD1-CG 4.16Å; Y76-P84 HydrophobicContact CE1-CB 3.51Å; Y76-P84 HydrophobicContact CE1-CG 4.38Å; Y76-P84 HydrophobicContact CE2-CB 4.38Å; Y76-P84 HydrophobicContact CG-CB 4.3Å; Y76-P84 HydrophobicContact CG-CG 4.42Å; V82-P84 WeakPolarHBondContact O-CD 3.24Å; P84-D86 PolarHBondContact O-N 3.35Å; P84-F113 HydrophobicContact CB-CB 4.03Å; P84-F113 HydrophobicContact CB-CD1 4.35Å; P84-F113 HydrophobicContact CG-CB 4.11Å; P84-F113 HydrophobicContact CG-CD1 3.73Å; P84-F113 HydrophobicContact CG-CG 4.34Å; P84-V115 HydrophobicContact CB-CG1 4.09Å |
| 85 | R | 89.2 | Confident | 89.7 | Confident | 129 Ų | 129 | 43.2 Ų | 43.2 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -66.9 | -21.1 | -177.9 | -69.3 | -177.3 | 174.1 | 173.8 | -5.2 | 114.1 | N83 F113 E114 P116 | N83-R85 VanDerWaalsContact C-N 3.26Å; N83-R85 PolarHBondContact O-N 2.98Å; N83-R85 PolarHBondContact OD1-N 3.19Å; R85-F113 VanDerWaalsContact CG-O 3.29Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 3.62Å; R85-E114 IonicContact CZ-OE2 3.97Å; R85-E114 VanDerWaalsContact CZ-OE2 3.31Å; R85-E114 IonicContact NE-OE1 2.67Å; R85-E114 IonicContact NE-OE2 3.54Å; R85-E114 PolarHBondContact NE-OE2 3.04Å; R85-E114 IonicContact NH2-OE1 2.69Å; R85-E114 PolarHBondContact NH2-OE1 3.38Å; R85-E114 IonicContact NH2-OE2 3.89Å; R85-E114 PolarHBondContact NH2-OE2 2.92Å; R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.33Å |
| 86 | D | 87.8 | Confident | 89.4 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -92.3 | -13.9 | -170.1 | -74.8 | -5.9 | 0 | 0 | 0 | 113.6 | K13 N83 P84 | K13-D86 HydrophobicContact CD-CB 3.76Å; K13-D86 IonicContact NZ-OD1 3.29Å; K13-D86 IonicContact NZ-OD2 2.76Å; K13-D86 PolarHBondContact NZ-OD2 2.75Å; N83-D86 PolarHBondContact O-N 2.93Å; P84-D86 PolarHBondContact O-N 3.35Å |
| 87 | R | 87.1 | Confident | 89.1 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 5% | 0.053 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -134.9 | 142.7 | -166.4 | -68.2 | 176.3 | -173.5 | -90.1 | -1.3 | 111.1 | D5 K13 T14 I16 P116 | D5-R87 IonicContact OD1-CZ 2.7Å; D5-R87 IonicContact OD1-NH2 3.31Å; D5-R87 PolarHBondContact OD1-NH2 2.84Å; K13-R87 HydrophobicContact CB-CG 3.78Å; K13-R87 HydrophobicContact CD-CG 4.31Å; T14-R87 WeakPolarHBondContact O-CD 3.45Å; T14-R87 PolarHBondContact O-NH1 2.72Å; T14-R87 PolarHBondContact OG1-NH1 3.11Å; I16-R87 HydrophobicContact CD1-CB 4.02Å; I16-R87 HydrophobicContact CG1-CB 4.25Å; R87-P116 VanDerWaalsContact O-CD 3.28Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å |
| 88 | R | 89.4 | Confident | 88.9 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | trans | -73.2 | 154.4 | 173.1 | -56 | 179.1 | -169.7 | 167.7 | 13.9 | 110.1 | E12 A15 I16 S117 | E12-R88 IonicContact OE1-NH2 2.78Å; E12-R88 PolarHBondContact OE1-NH2 2.76Å; E12-R88 IonicContact OE2-NH2 3.66Å; A15-R88 WeakPolarHBondContact CA-O 3.38Å; A15-R88 HydrophobicContact CB-CB 4.37Å; I16-R88 PolarHBondContact N-O 3.42Å; R88-S117 WeakPolarHBondContact CD-OG 3.45Å; R88-S117 VanDerWaalsContact CG-OG 3.28Å; R88-S117 WeakPolarHBondContact CG-OG 3.38Å | ||
| 89 | V | 91.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.7 | -177.4 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | I16 I18 Y76 I91 F109 V115 S117 V118 L119 | I16-V89 CarbonylContact O-C 3.54Å; I16-V89 WeakPolarHBondContact O-CA 3.34Å; I18-V89 HydrophobicContact CD1-CG1 3.88Å; I18-V89 HydrophobicContact CG1-CG1 4.28Å; Y76-V89 WeakPolarHBondContact OH-CG2 3.27Å; V89-I91 HydrophobicContact CG1-CD1 4.48Å; V89-I91 HydrophobicContact CG1-CG1 3.87Å; V89-F109 HydrophobicContact CG1-CE1 4.2Å; V89-F109 HydrophobicContact CG1-CZ 4.3Å; V89-F109 HydrophobicContact CG2-CE1 4.42Å; V89-V115 HydrophobicContact CG2-CB 4.31Å; V89-V115 HydrophobicContact CG2-CG1 4.02Å; V89-S117 PolarHBondContact N-O 3.29Å; V89-V118 WeakPolarHBondContact O-CA 3.47Å; V89-L119 PolarHBondContact O-N 3.07Å |
| 90 | V | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.5 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | I16 V17 I18 L119 A121 L369 | I16-V90 PolarHBondContact O-N 3.48Å; V17-V90 WeakPolarHBondContact CA-O 3.28Å; V17-V90 HydrophobicContact CG2-CB 4.43Å; I18-V90 PolarHBondContact N-O 3.19Å; V90-L119 HydrophobicContact CG1-CD2 4.05Å; V90-L119 HydrophobicContact CG2-CD2 4.25Å; V90-A121 HydrophobicContact CG1-CB 4.32Å; V90-L369 HydrophobicContact CG2-CD2 3.66Å |
| 91 | I | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.4 | 179.2 | -55.2 | 174.7 | 0 | 0 | 0 | 107.1 | I18 L20 V89 L105 F109 V118 L119 F120 A121 | I18-I91 CarbonylContact O-C 3.6Å; I18-I91 WeakPolarHBondContact O-CA 3.27Å; L20-I91 HydrophobicContact CD1-CG2 4.35Å; V89-I91 HydrophobicContact CG1-CD1 4.48Å; V89-I91 HydrophobicContact CG1-CG1 3.87Å; I91-L105 HydrophobicContact CD1-CD2 3.75Å; I91-L105 HydrophobicContact CD1-CG 4.35Å; I91-L105 HydrophobicContact CG2-CD2 3.93Å; I91-F109 HydrophobicContact CD1-CD2 3.67Å; I91-F109 HydrophobicContact CD1-CE2 3.33Å; I91-F109 HydrophobicContact CD1-CZ 4.09Å; I91-F109 HydrophobicContact CG1-CE2 4.28Å; I91-V118 HydrophobicContact CD1-CG1 3.53Å; I91-V118 HydrophobicContact CG1-CG1 4.19Å; I91-L119 PolarHBondContact N-O 3.22Å; I91-F120 HydrophobicContact CB-CD1 4.11Å; I91-F120 HydrophobicContact CB-CE1 4.13Å; I91-F120 HydrophobicContact CD1-CE1 3.87Å; I91-F120 HydrophobicContact CD1-CZ 3.91Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.04Å; I91-F120 WeakPolarHBondContact O-CA 3.33Å; I91-A121 PolarHBondContact O-N 3.21Å |
| 92 | I | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.8 | 173.1 | -60.1 | 154.4 | 0 | 0 | 0 | 107 | V17 I18 D19 A121 A355 W356 | V17-I92 HydrophobicContact CG1-CD1 3.63Å; V17-I92 HydrophobicContact CG1-CG1 4.41Å; I18-I92 PolarHBondContact O-N 3.23Å; D19-I92 HydrophobicContact CB-CB 4.14Å; D19-I92 HydrophobicContact CB-CD1 4.01Å; I92-A121 WeakPolarHBondContact CA-O 3.06Å; I92-A355 WeakPolarHBondContact CD1-O 3.41Å; I92-A355 HydrophobicContact CG2-CB 4.29Å; I92-W356 VanDerWaalsContact CD1-CA 3.46Å; I92-W356 HydrophobicContact CD1-CB 4.38Å |
| 93 | E | 89.4 | Confident | 88.6 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.3 | 177.4 | 66 | 177.3 | 177.8 | 0 | 0 | 110.9 | R102 F120 A121 P122 S123 | E93-R102 IonicContact OE1-NH1 3.31Å; E93-F120 HydrophobicContact CG-CB 4.49Å; E93-F120 HydrophobicContact CG-CD1 4.25Å; E93-F120 WeakPolarHBondContact OE1-CB 3.44Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.36Å; E93-A121 PolarHBondContact N-O 2.85Å; E93-P122 WeakPolarHBondContact O-CA 3.24Å; E93-S123 PolarHBondContact O-N 2.73Å |
| 94 | S | 87.6 | Confident | 88.6 | Confident | 34 Ų | 34 | 32.4 Ų | 32.4 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | trans | -73.2 | 147.4 | 163.7 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | L96 C97 L147 | S94-L96 PolarHBondContact O-N 3.22Å; S94-C97 WeakPolarHBondContact O-CB 3.2Å; S94-C97 PolarHBondContact O-N 3.15Å; S94-C97 VanDerWaalsContact O-N 3.1Å; S94-L147 WeakPolarHBondContact OG-CD2 3.39Å | ||
| 95 | I | 84.5 | Confident | 88.8 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 14% | 0.138 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.8 | -177.6 | -67.5 | 163.2 | 0 | 0 | 0 | 111.7 | C97 P122 L149 L158 | I95-C97 PolarHBondContact O-N 3.23Å; I95-P122 HydrophobicContact CD1-CB 4.04Å; I95-P122 HydrophobicContact CG1-CB 3.58Å; I95-L149 HydrophobicContact CD1-CD1 4.1Å; I95-L149 HydrophobicContact CD1-CD2 3.12Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; I95-L158 HydrophobicContact CG2-CD2 3.8Å |
| 96 | L | 84.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 26.2 Ų | 26.2 | 28% | 0.283 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7.8 | -179.5 | -55 | 179.5 | 0 | 0 | 0 | 113 | S94 P98 L147 W161 A163 | S94-L96 PolarHBondContact O-N 3.22Å; L96-P98 WeakPolarHBondContact O-CD 3.24Å; L96-L147 HydrophobicContact CD1-CD1 3.75Å; L96-L147 HydrophobicContact CD1-CD2 3.95Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.41Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; L96-W161 HydrophobicContact CD1-CD2 4.49Å; L96-W161 HydrophobicContact CD1-CE3 3.55Å; L96-W161 HydrophobicContact CD1-CH2 4.04Å; L96-W161 HydrophobicContact CD1-CZ3 3.28Å; L96-W161 HydrophobicContact CD2-CD2 3.93Å; L96-W161 HydrophobicContact CD2-CE3 3.8Å; L96-W161 HydrophobicContact CD2-CH2 3.96Å; L96-W161 HydrophobicContact CD2-CZ2 4.11Å; L96-W161 HydrophobicContact CD2-CZ3 3.82Å; L96-W161 HydrophobicContact CG-CE3 4.24Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L96-A163 HydrophobicContact CD1-CB 4.1Å |
| 97 | C | 84.9 | Confident | 89 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 11% | 0.108 | 13% | 0.131 | C | C | . | . | trans | -61.9 | 128.2 | 178.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | S94 I95 S99 F101 | S94-C97 WeakPolarHBondContact O-CB 3.2Å; S94-C97 PolarHBondContact O-N 3.15Å; S94-C97 VanDerWaalsContact O-N 3.1Å; I95-C97 PolarHBondContact O-N 3.23Å; C97-S99 PolarHBondContact O-N 3.29Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å | ||
| 98 | P | 86.9 | Confident | 89.3 | Confident | 48 Ų | 48 | 24.7 Ų | 24.7 | 31% | 0.312 | 13% | 0.128 | S | C | . | . | trans | -57.1 | 135.5 | -179.5 | -27.9 | 36 | 0 | 0 | 0 | 112.7 | Y57 L96 H100 F101 R102 | Y57-P98 HydrophobicContact CD1-CG 3.63Å; Y57-P98 HydrophobicContact CE1-CG 4.23Å; Y57-P98 HydrophobicContact CG-CG 3.93Å; L96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.1Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 2.91Å; P98-R102 PolarHBondContact O-N 3.42Å | ||
| 99 | S | 85.4 | Confident | 89.5 | Confident | 47 Ų | 47 | 21.6 Ų | 21.6 | 33% | 0.329 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -57 | -32 | 179.5 | -40.7 | 0 | 0 | 0 | 0 | 112.1 | C97 F101 R102 E103 D387 | C97-S99 PolarHBondContact O-N 3.29Å; S99-F101 PolarHBondContact O-N 3.44Å; S99-R102 PolarHBondContact O-N 2.97Å; S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 WeakPolarHBondContact O-CG 3.33Å; S99-E103 PolarHBondContact O-N 2.87Å; S99-D387 WeakPolarHBondContact CB-OD2 3.45Å; S99-D387 PolarHBondContact OG-OD2 2.66Å |
| 100 | H | 87 | Confident | 89.6 | Confident | 69 Ų | 69 | 21.8 Ų | 21.8 | 32% | 0.319 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 174.1 | 179.8 | 89.9 | 0 | 0 | 0 | 113.4 | T61 P98 T104 | T61-H100 WeakPolarHBondContact CG2-CE1 3.08Å; P98-H100 PolarHBondContact O-N 2.88Å; P98-H100 VanDerWaalsContact O-N 3.1Å; H100-T104 WeakPolarHBondContact O-CB 3.25Å; H100-T104 PolarHBondContact O-N 3.4Å; H100-T104 VanDerWaalsContact O-N 3.09Å; H100-T104 PolarHBondContact O-OG1 3.44Å |
| 101 | F | 88.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.7 | -179.1 | -93.4 | 0 | 0 | 0 | 110 | L20 V55 Y57 L64 L68 C97 P98 S99 E103 T104 L105 | L20-F101 HydrophobicContact CD1-CE1 4.41Å; L20-F101 HydrophobicContact CD1-CZ 4.5Å; V55-F101 HydrophobicContact CG1-CE2 4.31Å; V55-F101 HydrophobicContact CG1-CZ 4.33Å; V55-F101 HydrophobicContact CG2-CZ 4.3Å; Y57-F101 HydrophobicContact CD1-CB 4.44Å; L64-F101 HydrophobicContact CD1-CD2 4.07Å; L64-F101 HydrophobicContact CD1-CE2 4.1Å; L64-F101 HydrophobicContact CD2-CD2 4.05Å; L68-F101 HydrophobicContact CD1-CE2 4.24Å; L68-F101 HydrophobicContact CD2-CE2 4.05Å; L68-F101 HydrophobicContact CD2-CZ 4.01Å; C97-F101 VanDerWaalsContact SG-CD1 3.53Å; P98-F101 WeakPolarHBondContact O-CB 3.48Å; P98-F101 PolarHBondContact O-N 2.91Å; S99-F101 PolarHBondContact O-N 3.44Å; F101-E103 PolarHBondContact O-N 3.38Å; F101-T104 PolarHBondContact O-N 2.85Å; F101-L105 HydrophobicContact CE1-CD2 4.37Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 PolarHBondContact O-N 3.22Å |
| 102 | R | 88.8 | Confident | 89.4 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.4 | -168.5 | -177.3 | 56.1 | -132.8 | -29.7 | 112.8 | E93 P98 S99 T104 L105 T106 F120 D387 | E93-R102 IonicContact OE1-NH1 3.31Å; P98-R102 PolarHBondContact O-N 3.42Å; S99-R102 PolarHBondContact O-N 2.97Å; R102-T104 VanDerWaalsContact C-N 3.34Å; R102-T104 PolarHBondContact O-N 3.08Å; R102-L105 PolarHBondContact O-N 3.07Å; R102-T106 WeakPolarHBondContact O-CB 3.03Å; R102-T106 PolarHBondContact O-N 3.34Å; R102-T106 PolarHBondContact O-OG1 3.2Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.35Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 4.05Å; R102-F120 HydrophobicContact CG-CG 4.24Å; R102-F120 HydrophobicContact CG-CZ 3.59Å; R102-D387 IonicContact CZ-OD1 3.81Å; R102-D387 IonicContact CZ-OD2 3.82Å; R102-D387 IonicContact NH1-OD1 2.68Å; R102-D387 PolarHBondContact NH1-OD1 3.45Å; R102-D387 IonicContact NH1-OD2 3.11Å; R102-D387 IonicContact NH2-OD1 3.74Å; R102-D387 PolarHBondContact NH2-OD1 3.21Å; R102-D387 IonicContact NH2-OD2 4Å; R102-D387 PolarHBondContact NH2-OD2 3.31Å |
| 103 | E | 88.6 | Confident | 89.3 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.6 | -77.1 | -173.9 | -179.2 | 0 | 0 | 112 | S99 F101 T106 K107 R384 | S99-E103 WeakPolarHBondContact O-CB 3.26Å; S99-E103 WeakPolarHBondContact O-CG 3.33Å; S99-E103 PolarHBondContact O-N 2.87Å; F101-E103 PolarHBondContact O-N 3.38Å; E103-T106 WeakPolarHBondContact O-CB 3.06Å; E103-T106 PolarHBondContact O-N 3.1Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.15Å; E103-R384 IonicContact OE1-CZ 3.25Å; E103-R384 IonicContact OE1-NE 2.73Å |
| 104 | T | 90.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.4 | -43.4 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | L64 Y65 L68 H100 F101 R102 T106 K107 V108 | L64-T104 HydrophobicContact CB-CG2 4.18Å; L64-T104 HydrophobicContact CD2-CG2 3.98Å; L64-T104 HydrophobicContact CG-CG2 3.88Å; Y65-T104 HydrophobicContact CD2-CG2 4.38Å; L68-T104 HydrophobicContact CD1-CG2 4.15Å; H100-T104 WeakPolarHBondContact O-CB 3.25Å; H100-T104 PolarHBondContact O-N 3.4Å; H100-T104 VanDerWaalsContact O-N 3.09Å; H100-T104 PolarHBondContact O-OG1 3.44Å; F101-T104 PolarHBondContact O-N 2.85Å; R102-T104 VanDerWaalsContact C-N 3.34Å; R102-T104 PolarHBondContact O-N 3.08Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.94Å; T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.48Å; T104-V108 WeakPolarHBondContact O-CG2 3.49Å; T104-V108 PolarHBondContact O-N 3.31Å |
| 105 | L | 91.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 174.7 | -168.9 | 72.5 | 0 | 0 | 0 | 111.5 | L20 L68 I72 I91 F101 R102 K107 V108 F109 F120 | L20-L105 HydrophobicContact CD1-CD1 3.76Å; L20-L105 HydrophobicContact CD1-CD2 3.63Å; L20-L105 HydrophobicContact CD1-CG 4.37Å; L68-L105 HydrophobicContact CD1-CB 4.27Å; L68-L105 HydrophobicContact CD1-CD1 4Å; L68-L105 HydrophobicContact CD2-CD1 3.88Å; L68-L105 HydrophobicContact CG-CD1 4.43Å; I72-L105 HydrophobicContact CD1-CD1 3.97Å; I91-L105 HydrophobicContact CD1-CD2 3.75Å; I91-L105 HydrophobicContact CD1-CG 4.35Å; I91-L105 HydrophobicContact CG2-CD2 3.93Å; F101-L105 HydrophobicContact CE1-CD2 4.37Å; F101-L105 WeakPolarHBondContact O-CB 3.48Å; F101-L105 PolarHBondContact O-N 3.22Å; R102-L105 PolarHBondContact O-N 3.07Å; L105-K107 PolarHBondContact O-N 3.42Å; L105-V108 WeakPolarHBondContact O-CB 3.48Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-F109 HydrophobicContact CD1-CD2 4.37Å; L105-F109 HydrophobicContact CD1-CE2 3.81Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.25Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.9Å; L105-F120 HydrophobicContact CD2-CE1 3.94Å; L105-F120 HydrophobicContact CD2-CZ 4.37Å |
| 106 | T | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 176 | -60 | 0 | 0 | 0 | 0 | 112.2 | R102 E103 T104 V108 F109 F110 F120 Y379 I385 | R102-T106 WeakPolarHBondContact O-CB 3.03Å; R102-T106 PolarHBondContact O-N 3.34Å; R102-T106 PolarHBondContact O-OG1 3.2Å; E103-T106 WeakPolarHBondContact O-CB 3.06Å; E103-T106 PolarHBondContact O-N 3.1Å; T104-T106 VanDerWaalsContact C-N 3.31Å; T104-T106 PolarHBondContact O-N 2.94Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.48Å; T106-F109 PolarHBondContact O-N 3.39Å; T106-F110 HydrophobicContact CG2-CD2 3.53Å; T106-F110 HydrophobicContact CG2-CE2 3.68Å; T106-F110 PolarHBondContact O-N 3.42Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.36Å; T106-Y379 HydrophobicContact CG2-CD2 3.78Å; T106-Y379 HydrophobicContact CG2-CE2 3.49Å; T106-Y379 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y379 HydrophobicContact CG2-CG 4.42Å; T106-I385 HydrophobicContact CG2-CD1 3.27Å; T106-I385 HydrophobicContact CG2-CG1 3.79Å; T106-I385 WeakPolarHBondContact OG1-CD1 3.46Å |
| 107 | K | 91.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 34 Ų | 34 | 26% | 0.261 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 176.2 | -74.4 | 168.4 | -173.1 | 168.4 | 0 | 110.9 | Y65 E103 T104 L105 R111 Y379 | Y65-K107 HydrophobicContact CD2-CB 4.33Å; Y65-K107 HydrophobicContact CE2-CB 4.07Å; E103-K107 VanDerWaalsContact O-CG 3.32Å; E103-K107 WeakPolarHBondContact O-CG 3.31Å; E103-K107 PolarHBondContact O-N 3.15Å; T104-K107 WeakPolarHBondContact O-CB 3.49Å; T104-K107 PolarHBondContact O-N 3.48Å; L105-K107 PolarHBondContact O-N 3.42Å; K107-R111 WeakPolarHBondContact O-CB 3.48Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.34Å; K107-Y379 WeakPolarHBondContact CG-OH 3.39Å |
| 108 | V | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -62.4 | -49.6 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | Y65 L68 K69 I72 T104 L105 T106 F110 Q112 F113 | Y65-V108 HydrophobicContact CD2-CG2 3.35Å; Y65-V108 HydrophobicContact CE2-CB 4.23Å; Y65-V108 HydrophobicContact CE2-CG2 3.45Å; Y65-V108 VanDerWaalsContact CE2-CG2 3.45Å; Y65-V108 HydrophobicContact CG-CG2 4.01Å; L68-V108 HydrophobicContact CB-CG2 4.02Å; K69-V108 HydrophobicContact CB-CG1 4.31Å; I72-V108 HydrophobicContact CD1-CB 4.4Å; I72-V108 HydrophobicContact CD1-CG1 3.7Å; T104-V108 WeakPolarHBondContact O-CG2 3.49Å; T104-V108 PolarHBondContact O-N 3.31Å; L105-V108 WeakPolarHBondContact O-CB 3.48Å; L105-V108 PolarHBondContact O-N 3.47Å; T106-V108 VanDerWaalsContact C-N 3.27Å; T106-V108 PolarHBondContact O-N 3.48Å; V108-F110 PolarHBondContact O-N 3.42Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.44Å; V108-Q112 PolarHBondContact O-N 3.38Å; V108-F113 HydrophobicContact CG1-CD2 3.81Å; V108-F113 HydrophobicContact CG1-CE2 3.57Å; V108-F113 PolarHBondContact O-N 3.35Å |
| 109 | F | 93.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -62.1 | -45.6 | -178.9 | -83 | -64.9 | 0 | 0 | 0 | 113.5 | I18 I72 Y76 V89 I91 L105 T106 F113 E114 V115 V118 | I18-F109 HydrophobicContact CD1-CE1 4.29Å; I18-F109 HydrophobicContact CD1-CZ 3.89Å; I72-F109 HydrophobicContact CD1-CD2 4.33Å; I72-F109 HydrophobicContact CD1-CE1 4.13Å; I72-F109 HydrophobicContact CD1-CE2 3.74Å; I72-F109 HydrophobicContact CD1-CZ 3.64Å; I72-F109 HydrophobicContact CG1-CZ 4.2Å; I72-F109 HydrophobicContact CG2-CE1 4.03Å; I72-F109 HydrophobicContact CG2-CZ 4.38Å; Y76-F109 HydrophobicContact CE2-CE1 4.1Å; V89-F109 HydrophobicContact CG1-CE1 4.2Å; V89-F109 HydrophobicContact CG1-CZ 4.3Å; V89-F109 HydrophobicContact CG2-CE1 4.42Å; I91-F109 HydrophobicContact CD1-CD2 3.67Å; I91-F109 HydrophobicContact CD1-CE2 3.33Å; I91-F109 HydrophobicContact CD1-CZ 4.09Å; I91-F109 HydrophobicContact CG1-CE2 4.28Å; L105-F109 HydrophobicContact CD1-CD2 4.37Å; L105-F109 HydrophobicContact CD1-CE2 3.81Å; L105-F109 HydrophobicContact CD2-CE2 4.19Å; L105-F109 HydrophobicContact CG-CD2 3.93Å; L105-F109 HydrophobicContact CG-CE2 3.69Å; L105-F109 VanDerWaalsContact O-CD2 3.25Å; L105-F109 WeakPolarHBondContact O-CD2 3.37Å; L105-F109 PolarHBondContact O-N 2.9Å; T106-F109 PolarHBondContact O-N 3.39Å; F109-F113 CarbonylContact O-C 3.59Å; F109-E114 PolarHBondContact O-N 2.82Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.95Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 3.23Å; F109-V118 HydrophobicContact CB-CG2 3.99Å; F109-V118 HydrophobicContact CG-CG2 4.43Å |
| 110 | F | 93.2 | Very high | 90.8 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -82 | -41.4 | -178 | -70.9 | -50.5 | 0 | 0 | 0 | 114.2 | T106 V108 E114 V115 V118 R376 Y379 I385 | T106-F110 HydrophobicContact CG2-CD2 3.53Å; T106-F110 HydrophobicContact CG2-CE2 3.68Å; T106-F110 PolarHBondContact O-N 3.42Å; V108-F110 PolarHBondContact O-N 3.42Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; F110-E114 PolarHBondContact O-N 3.38Å; F110-V115 HydrophobicContact CD1-CG2 3.93Å; F110-V115 HydrophobicContact CE1-CG2 4Å; F110-V118 HydrophobicContact CE1-CG2 3.95Å; F110-V118 HydrophobicContact CE2-CG2 4.24Å; F110-V118 HydrophobicContact CZ-CB 4.05Å; F110-V118 HydrophobicContact CZ-CG2 3.75Å; F110-R376 HydrophobicContact CD1-CB 3.7Å; F110-R376 HydrophobicContact CD1-CG 3.76Å; F110-R376 VanDerWaalsContact CE1-CA 3.49Å; F110-R376 HydrophobicContact CE1-CB 3.77Å; F110-R376 HydrophobicContact CE1-CG 4.35Å; F110-R376 HydrophobicContact CG-CG 4.37Å; F110-Y379 HydrophobicContact CB-CD1 3.92Å; F110-Y379 HydrophobicContact CB-CE1 4.23Å; F110-Y379 AromaticContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD1 3.41Å; F110-Y379 VanDerWaalsContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD2 4Å; F110-Y379 HydrophobicContact CD2-CE1 4.01Å; F110-Y379 AromaticContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CD2-CG 3.4Å; F110-Y379 VanDerWaalsContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CE2-CD1 4.18Å; F110-Y379 HydrophobicContact CE2-CD2 4.11Å; F110-Y379 AromaticContact CE2-CG 3.68Å; F110-Y379 HydrophobicContact CE2-CG 3.68Å; F110-Y379 AromaticContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CG 4.28Å; F110-I385 HydrophobicContact CE2-CD1 4.21Å |
| 111 | R | 90.9 | Very high | 90.9 | Very high | 174 Ų | 174 | 27.2 Ų | 27.2 | 66% | 0.657 | 12% | 0.124 | S | C | * | . | I | π-helix | trans | -83 | -39.6 | -175.3 | -61.7 | -173.2 | 173.5 | -173.1 | -2.7 | 113.3 | K107 | K107-R111 WeakPolarHBondContact O-CB 3.48Å; K107-R111 WeakPolarHBondContact O-CG 3.43Å; K107-R111 PolarHBondContact O-N 3.34Å |
| 112 | Q | 92 | Very high | 91 | Very high | 75 Ų | 75 | 27.2 Ų | 27.2 | 35% | 0.35 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -92.1 | -43.1 | -175.3 | -177.4 | 64.1 | 51.4 | 0 | 0 | 112.3 | K69 V108 | K69-Q112 HydrophobicContact CD-CG 3.89Å; K69-Q112 VanDerWaalsContact CE-OE1 3.31Å; K69-Q112 HydrophobicContact CG-CG 4.06Å; V108-Q112 VanDerWaalsContact O-CB 3.27Å; V108-Q112 WeakPolarHBondContact O-CB 3.44Å; V108-Q112 PolarHBondContact O-N 3.38Å |
| 113 | F | 90.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -102.4 | -10.5 | -173.8 | -65.7 | -74.6 | 0 | 0 | 0 | 113.6 | I72 H73 P84 R85 V108 F109 V115 | I72-F113 HydrophobicContact CB-CE2 3.7Å; I72-F113 HydrophobicContact CB-CZ 3.93Å; I72-F113 HydrophobicContact CG2-CD2 3.81Å; I72-F113 HydrophobicContact CG2-CE1 4.23Å; I72-F113 HydrophobicContact CG2-CE2 3.36Å; I72-F113 HydrophobicContact CG2-CG 4.42Å; I72-F113 HydrophobicContact CG2-CZ 3.59Å; H73-F113 HydrophobicContact CB-CZ 4.18Å; P84-F113 HydrophobicContact CB-CB 4.03Å; P84-F113 HydrophobicContact CB-CD1 4.35Å; P84-F113 HydrophobicContact CG-CB 4.11Å; P84-F113 HydrophobicContact CG-CD1 3.73Å; P84-F113 HydrophobicContact CG-CG 4.34Å; R85-F113 VanDerWaalsContact CG-O 3.29Å; R85-F113 WeakPolarHBondContact CG-O 3.45Å; V108-F113 HydrophobicContact CG1-CD2 3.81Å; V108-F113 HydrophobicContact CG1-CE2 3.57Å; V108-F113 PolarHBondContact O-N 3.35Å; F109-F113 CarbonylContact O-C 3.59Å; F113-V115 VanDerWaalsContact C-N 3.25Å; F113-V115 HydrophobicContact CB-CG1 4.15Å; F113-V115 PolarHBondContact O-N 3Å |
| 114 | E | 92.5 | Very high | 91.4 | Very high | 70 Ų | 70 | 24.4 Ų | 24.4 | 33% | 0.327 | 11% | 0.113 | S | C | . | . | trans | 50.8 | 42.8 | 177 | -67.3 | 170.1 | -138.7 | 0 | 0 | 113.3 | R85 F109 F110 R376 | R85-E114 HydrophobicContact CG-CB 4.13Å; R85-E114 IonicContact CZ-OE1 3.62Å; R85-E114 IonicContact CZ-OE2 3.97Å; R85-E114 VanDerWaalsContact CZ-OE2 3.31Å; R85-E114 IonicContact NE-OE1 2.67Å; R85-E114 IonicContact NE-OE2 3.54Å; R85-E114 PolarHBondContact NE-OE2 3.04Å; R85-E114 IonicContact NH2-OE1 2.69Å; R85-E114 PolarHBondContact NH2-OE1 3.38Å; R85-E114 IonicContact NH2-OE2 3.89Å; R85-E114 PolarHBondContact NH2-OE2 2.92Å; F109-E114 PolarHBondContact O-N 2.82Å; F110-E114 WeakPolarHBondContact O-CA 3.44Å; F110-E114 PolarHBondContact O-N 3.38Å; E114-R376 IonicContact OE2-NH1 3.38Å | ||
| 115 | V | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -65.5 | 148.2 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | P84 V89 F109 F110 F113 V118 | P84-V115 HydrophobicContact CB-CG1 4.09Å; V89-V115 HydrophobicContact CG2-CB 4.31Å; V89-V115 HydrophobicContact CG2-CG1 4.02Å; F109-V115 HydrophobicContact CB-CG2 3.84Å; F109-V115 HydrophobicContact CD1-CG1 3.95Å; F109-V115 HydrophobicContact CD1-CG2 4.44Å; F109-V115 PolarHBondContact O-N 3.23Å; F110-V115 HydrophobicContact CD1-CG2 3.93Å; F110-V115 HydrophobicContact CE1-CG2 4Å; F113-V115 VanDerWaalsContact C-N 3.25Å; F113-V115 HydrophobicContact CB-CG1 4.15Å; F113-V115 PolarHBondContact O-N 3Å; V115-V118 HydrophobicContact CG2-CG2 3.51Å | ||
| 116 | P | 90 | Very high | 91.4 | Very high | 52 Ų | 52 | 25.2 Ų | 25.2 | 34% | 0.338 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -64.6 | -47.7 | -178.4 | -22.6 | 33.4 | 0 | 0 | 0 | 113.7 | R85 R87 R376 | R85-P116 VanDerWaalsContact O-CG 3.29Å; R85-P116 WeakPolarHBondContact O-CG 3.33Å; R87-P116 VanDerWaalsContact O-CD 3.28Å; R87-P116 WeakPolarHBondContact O-CD 3.34Å; P116-R376 PolarHBondContact O-N 2.81Å; P116-R376 VanDerWaalsContact O-N 3.08Å |
| 117 | S | 89.2 | Confident | 91.4 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.6 | 177.8 | 71.5 | 0 | 0 | 0 | 0 | 112 | R88 V89 S373 V374 | R88-S117 WeakPolarHBondContact CD-OG 3.45Å; R88-S117 VanDerWaalsContact CG-OG 3.28Å; R88-S117 WeakPolarHBondContact CG-OG 3.38Å; V89-S117 PolarHBondContact N-O 3.29Å; S117-S373 WeakPolarHBondContact CB-OG 3.23Å; S117-S373 PolarHBondContact OG-OG 2.76Å; S117-S373 VanDerWaalsContact OG-OG 3.1Å; S117-V374 CarbonylContact C-O 3.44Å; S117-V374 VanDerWaalsContact CA-O 3.23Å; S117-V374 WeakPolarHBondContact CA-O 3.15Å; S117-V374 WeakPolarHBondContact CB-O 3.44Å |
| 118 | V | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.4 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | V89 I91 F109 F110 V115 F120 V374 | V89-V118 WeakPolarHBondContact O-CA 3.47Å; I91-V118 HydrophobicContact CD1-CG1 3.53Å; I91-V118 HydrophobicContact CG1-CG1 4.19Å; F109-V118 HydrophobicContact CB-CG2 3.99Å; F109-V118 HydrophobicContact CG-CG2 4.43Å; F110-V118 HydrophobicContact CE1-CG2 3.95Å; F110-V118 HydrophobicContact CE2-CG2 4.24Å; F110-V118 HydrophobicContact CZ-CB 4.05Å; F110-V118 HydrophobicContact CZ-CG2 3.75Å; V115-V118 HydrophobicContact CG2-CG2 3.51Å; V118-F120 HydrophobicContact CG1-CD2 4.06Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.88Å; V118-V374 PolarHBondContact N-O 2.95Å; V118-V374 PolarHBondContact O-N 3.4Å |
| 119 | L | 89.7 | Confident | 91.3 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | 172.3 | 172.7 | 69.1 | 0 | 0 | 0 | 109.4 | V89 V90 I91 F362 L369 R372 | V89-L119 PolarHBondContact O-N 3.07Å; V90-L119 HydrophobicContact CG1-CD2 4.05Å; V90-L119 HydrophobicContact CG2-CD2 4.25Å; I91-L119 PolarHBondContact N-O 3.22Å; L119-F362 HydrophobicContact CD2-CD1 3.6Å; L119-F362 HydrophobicContact CD2-CE1 3.44Å; L119-F362 VanDerWaalsContact CD2-CE1 3.44Å; L119-L369 HydrophobicContact CD2-CD2 3.76Å; L119-R372 HydrophobicContact CD1-CB 4.34Å |
| 120 | F | 90.1 | Very high | 91.2 | Very high | 24 Ų | 24 | 26 Ų | 26 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.2 | 170.1 | -70.6 | -84.1 | 0 | 0 | 0 | 109.5 | I91 E93 R102 L105 T106 V118 I385 | I91-F120 HydrophobicContact CB-CD1 4.11Å; I91-F120 HydrophobicContact CB-CE1 4.13Å; I91-F120 HydrophobicContact CD1-CE1 3.87Å; I91-F120 HydrophobicContact CD1-CZ 3.91Å; I91-F120 HydrophobicContact CG2-CD1 4.18Å; I91-F120 HydrophobicContact CG2-CE1 4.04Å; I91-F120 WeakPolarHBondContact O-CA 3.33Å; E93-F120 HydrophobicContact CG-CB 4.49Å; E93-F120 HydrophobicContact CG-CD1 4.25Å; E93-F120 WeakPolarHBondContact OE1-CB 3.44Å; E93-F120 WeakPolarHBondContact OE2-CD1 3.36Å; R102-F120 HydrophobicContact CG-CD1 3.82Å; R102-F120 HydrophobicContact CG-CD2 4.35Å; R102-F120 HydrophobicContact CG-CE1 3.46Å; R102-F120 VanDerWaalsContact CG-CE1 3.46Å; R102-F120 HydrophobicContact CG-CE2 4.05Å; R102-F120 HydrophobicContact CG-CG 4.24Å; R102-F120 HydrophobicContact CG-CZ 3.59Å; L105-F120 HydrophobicContact CD2-CE1 3.94Å; L105-F120 HydrophobicContact CD2-CZ 4.37Å; T106-F120 WeakPolarHBondContact OG1-CZ 3.36Å; V118-F120 HydrophobicContact CG1-CD2 4.06Å; V118-F120 HydrophobicContact CG1-CE2 3.49Å; V118-F120 VanDerWaalsContact CG1-CE2 3.49Å; V118-F120 HydrophobicContact CG1-CZ 3.88Å; F120-I385 HydrophobicContact CD2-CD1 4.14Å; F120-I385 HydrophobicContact CD2-CG2 4.11Å; F120-I385 HydrophobicContact CE2-CD1 3.53Å; F120-I385 HydrophobicContact CE2-CG2 4.32Å |
| 121 | A | 89.1 | Confident | 91 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V90 I91 I92 E93 S123 M126 | V90-A121 HydrophobicContact CG1-CB 4.32Å; I91-A121 PolarHBondContact O-N 3.21Å; I92-A121 WeakPolarHBondContact CA-O 3.06Å; E93-A121 PolarHBondContact N-O 2.85Å; A121-S123 PolarHBondContact O-N 2.87Å; A121-M126 HydrophobicContact CB-CE 4.03Å; A121-M126 HydrophobicContact CB-CG 3.89Å; A121-M126 HydrophobicContact CB-SD 3.77Å |
| 122 | P | 90.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 5% | 0.045 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.1 | -179.5 | 24.5 | -27.7 | 0 | 0 | 0 | 111.4 | E93 I95 H124 L125 M126 W388 | E93-P122 WeakPolarHBondContact O-CA 3.24Å; I95-P122 HydrophobicContact CD1-CB 4.04Å; I95-P122 HydrophobicContact CG1-CB 3.58Å; P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 3.24Å; P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.16Å; P122-L125 PolarHBondContact O-N 3.38Å; P122-L125 VanDerWaalsContact O-N 3.14Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 3.18Å; P122-M126 VanDerWaalsContact O-N 3.12Å; P122-W388 HydrophobicContact CG-CH2 4.47Å; P122-W388 HydrophobicContact CG-CZ2 4.04Å |
| 123 | S | 92.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 21 Ų | 21 | 5% | 0.049 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -48.1 | -48 | -177.8 | 175 | 0 | 0 | 0 | 0 | 113.5 | E93 A121 L125 M126 A127 A355 | E93-S123 PolarHBondContact O-N 2.73Å; A121-S123 PolarHBondContact O-N 2.87Å; S123-L125 PolarHBondContact O-N 3.25Å; S123-M126 WeakPolarHBondContact O-CB 3.32Å; S123-M126 PolarHBondContact O-N 2.96Å; S123-A127 PolarHBondContact O-N 3.33Å; S123-A355 VanDerWaalsContact OG-CB 3.27Å; S123-A355 WeakPolarHBondContact OG-CB 3.36Å |
| 124 | H | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63 | -42 | -176.8 | -58.3 | 72.7 | 0 | 0 | 0 | 112.3 | P122 A127 V128 V138 D140 L147 L149 I151 | P122-H124 VanDerWaalsContact C-N 3.32Å; P122-H124 PolarHBondContact O-N 3.24Å; H124-A127 PolarHBondContact O-N 3.07Å; H124-V128 PolarHBondContact O-N 3.3Å; H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.16Å; H124-D140 WeakPolarHBondContact NE2-CB 3.45Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.35Å; H124-L149 HydrophobicContact CB-CB 4.21Å; H124-L149 HydrophobicContact CB-CD2 3.62Å; H124-I151 VanDerWaalsContact C-CD1 3.47Å; H124-I151 HydrophobicContact CB-CD1 3.97Å; H124-I151 WeakPolarHBondContact O-CD1 3.33Å |
| 125 | L | 90.9 | Very high | 90.9 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 177.6 | -175 | 62.8 | 0 | 0 | 0 | 110.6 | P122 S123 A127 V128 M129 I151 C154 | P122-L125 HydrophobicContact CG-CB 3.82Å; P122-L125 HydrophobicContact CG-CD2 4.16Å; P122-L125 PolarHBondContact O-N 3.38Å; P122-L125 VanDerWaalsContact O-N 3.14Å; S123-L125 PolarHBondContact O-N 3.25Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 3.32Å; L125-V128 PolarHBondContact O-N 3.07Å; L125-M129 VanDerWaalsContact O-CG 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.44Å; L125-M129 PolarHBondContact O-N 2.87Å; L125-M129 VanDerWaalsContact O-N 3.1Å; L125-I151 HydrophobicContact CB-CD1 4.43Å; L125-I151 HydrophobicContact CD1-CD1 4.47Å; L125-I151 HydrophobicContact CD1-CG2 4.25Å; L125-C154 WeakPolarHBondContact CD1-O 3.43Å |
| 126 | M | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -41.1 | 177.1 | -64.1 | -55.1 | 100.2 | 0 | 0 | 111 | A121 P122 S123 V128 M129 T130 A355 G358 F362 | A121-M126 HydrophobicContact CB-CE 4.03Å; A121-M126 HydrophobicContact CB-CG 3.89Å; A121-M126 HydrophobicContact CB-SD 3.77Å; P122-M126 WeakPolarHBondContact O-CG 3.25Å; P122-M126 PolarHBondContact O-N 3.18Å; P122-M126 VanDerWaalsContact O-N 3.12Å; S123-M126 WeakPolarHBondContact O-CB 3.32Å; S123-M126 PolarHBondContact O-N 2.96Å; M126-V128 PolarHBondContact O-N 3.12Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 2.79Å; M126-T130 PolarHBondContact O-N 3.3Å; M126-A355 WeakPolarHBondContact CB-O 3.49Å; M126-G358 WeakPolarHBondContact O-CA 3.24Å; M126-F362 HydrophobicContact CE-CB 4.48Å; M126-F362 HydrophobicContact CE-CD1 4.46Å; M126-F362 HydrophobicContact CE-CD2 3.81Å; M126-F362 HydrophobicContact CE-CE2 4.03Å; M126-F362 HydrophobicContact CE-CG 4.01Å; M126-F362 HydrophobicContact CE-CZ 4.42Å; M126-F362 HydrophobicContact SD-CB 3.64Å; M126-F362 HydrophobicContact SD-CD1 4.31Å; M126-F362 HydrophobicContact SD-CD2 4.1Å; M126-F362 HydrophobicContact SD-CG 3.78Å |
| 127 | A | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S123 H124 L125 M129 T130 V138 I307 T354 | S123-A127 PolarHBondContact O-N 3.33Å; H124-A127 PolarHBondContact O-N 3.07Å; L125-A127 VanDerWaalsContact C-N 3.28Å; L125-A127 PolarHBondContact O-N 3.32Å; A127-M129 VanDerWaalsContact C-N 3.33Å; A127-M129 PolarHBondContact O-N 3.35Å; A127-T130 WeakPolarHBondContact O-CB 3.07Å; A127-T130 PolarHBondContact O-N 3.46Å; A127-T130 PolarHBondContact O-OG1 3.48Å; A127-V138 HydrophobicContact CB-CG1 4.37Å; A127-I307 HydrophobicContact CB-CD1 3.71Å; A127-I307 HydrophobicContact CB-CG2 3.85Å; A127-T354 HydrophobicContact CB-CG2 4.02Å |
| 128 | V | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | H124 L125 M126 T130 L131 G132 I133 A136 V138 I151 | H124-V128 PolarHBondContact O-N 3.3Å; L125-V128 PolarHBondContact O-N 3.07Å; M126-V128 PolarHBondContact O-N 3.12Å; V128-T130 PolarHBondContact O-N 2.84Å; V128-L131 PolarHBondContact O-N 2.95Å; V128-G132 PolarHBondContact O-N 2.73Å; V128-I133 HydrophobicContact CG1-CG1 3.98Å; V128-I133 WeakPolarHBondContact CG1-O 3.42Å; V128-A136 HydrophobicContact CG2-CB 3.91Å; V128-V138 HydrophobicContact CG2-CG2 3.31Å; V128-I151 HydrophobicContact CB-CD1 4.31Å; V128-I151 HydrophobicContact CG2-CB 4.46Å; V128-I151 HydrophobicContact CG2-CD1 3.56Å |
| 129 | M | 89.4 | Confident | 91.6 | Very high | 61 Ų | 61 | 18.7 Ų | 18.7 | 30% | 0.3 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.8 | -28.2 | 177.7 | -67.8 | -64.4 | -65.9 | 0 | 0 | 112.8 | L125 M126 A127 L131 G132 | L125-M129 VanDerWaalsContact O-CG 3.31Å; L125-M129 WeakPolarHBondContact O-CG 3.44Å; L125-M129 PolarHBondContact O-N 2.87Å; L125-M129 VanDerWaalsContact O-N 3.1Å; M126-M129 WeakPolarHBondContact O-CB 3.37Å; M126-M129 PolarHBondContact O-N 2.79Å; A127-M129 VanDerWaalsContact C-N 3.33Å; A127-M129 PolarHBondContact O-N 3.35Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 2.68Å; M129-G132 PolarHBondContact O-N 3.06Å |
| 130 | T | 91.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 10% | 0.104 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -28.5 | 176.7 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | M126 A127 V128 T354 L357 G358 I361 | M126-T130 PolarHBondContact O-N 3.3Å; A127-T130 WeakPolarHBondContact O-CB 3.07Å; A127-T130 PolarHBondContact O-N 3.46Å; A127-T130 PolarHBondContact O-OG1 3.48Å; V128-T130 PolarHBondContact O-N 2.84Å; T130-T354 HydrophobicContact CG2-CG2 4.13Å; T130-T354 WeakPolarHBondContact CG2-O 3.44Å; T130-L357 HydrophobicContact CG2-CB 4.13Å; T130-L357 HydrophobicContact CG2-CD2 4.21Å; T130-L357 HydrophobicContact CG2-CG 4.05Å; T130-G358 VanDerWaalsContact CG2-CA 3.48Å; T130-G358 VanDerWaalsContact CG2-N 3.32Å; T130-I361 HydrophobicContact CG2-CD1 4.42Å |
| 131 | L | 89.6 | Confident | 92 | Very high | 46 Ų | 46 | 18.3 Ų | 18.3 | 24% | 0.241 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -91 | -15 | -178.5 | -73.7 | 170.9 | 0 | 0 | 0 | 112.6 | V128 M129 I133 V305 H345 | V128-L131 PolarHBondContact O-N 2.95Å; M129-L131 VanDerWaalsContact C-N 3.27Å; M129-L131 PolarHBondContact O-N 2.68Å; L131-I133 HydrophobicContact CB-CD1 4.11Å; L131-I133 HydrophobicContact CB-CG1 4.02Å; L131-I133 HydrophobicContact CB-CG2 4.46Å; L131-I133 HydrophobicContact CD1-CD1 3.97Å; L131-I133 PolarHBondContact O-N 3.25Å; L131-V305 HydrophobicContact CD1-CB 4.37Å; L131-V305 HydrophobicContact CD1-CG1 3.94Å; L131-V305 HydrophobicContact CD1-CG2 3.44Å; L131-V305 VanDerWaalsContact CD1-CG2 3.44Å; L131-H345 HydrophobicContact CD1-CB 3.96Å; L131-H345 HydrophobicContact CD2-CB 4.46Å |
| 132 | G | 88.2 | Confident | 92.1 | Very high | 64 Ų | 64 | 19.1 Ų | 19.1 | 66% | 0.66 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 24.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V128 M129 | V128-G132 PolarHBondContact O-N 2.73Å; M129-G132 PolarHBondContact O-N 3.06Å |
| 133 | I | 91.2 | Very high | 92.2 | Very high | 39 Ų | 39 | 20.5 Ų | 20.5 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | trans | -102.3 | 144.5 | 174.6 | 63.8 | -173.6 | 0 | 0 | 0 | 109.5 | V128 L131 A136 N303 V305 | V128-I133 HydrophobicContact CG1-CG1 3.98Å; V128-I133 WeakPolarHBondContact CG1-O 3.42Å; L131-I133 HydrophobicContact CB-CD1 4.11Å; L131-I133 HydrophobicContact CB-CG1 4.02Å; L131-I133 HydrophobicContact CB-CG2 4.46Å; L131-I133 HydrophobicContact CD1-CD1 3.97Å; L131-I133 PolarHBondContact O-N 3.25Å; I133-A136 HydrophobicContact CD1-CB 3.68Å; I133-A136 HydrophobicContact CG1-CB 4.23Å; I133-N303 HydrophobicContact CD1-CB 4.45Å; I133-V305 HydrophobicContact CD1-CG2 4.15Å | ||
| 134 | N | 91.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 22.9 Ų | 22.9 | 45% | 0.449 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -84.3 | -30.2 | -178.3 | -67 | 1.2 | 0 | 0 | 0 | 113.1 | E153 C154 | N134-E153 PolarHBondContact ND2-OE2 3.05Å; N134-E153 VanDerWaalsContact ND2-OE2 3.16Å; N134-E153 PolarHBondContact O-N 2.63Å; N134-C154 PolarHBondContact O-N 3.23Å |
| 135 | S | 93.3 | Very high | 92 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | trans | -131.6 | 120.9 | -170.3 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | I151 E153 N303 | S135-I151 CarbonylContact C-O 3.54Å; S135-I151 VanDerWaalsContact CA-O 3.25Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; S135-E153 PolarHBondContact OG-N 3.07Å; S135-N303 WeakPolarHBondContact O-CB 3.28Å; S135-N303 PolarHBondContact O-ND2 2.82Å | ||
| 136 | A | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 147.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V128 I133 I151 N303 V305 | V128-A136 HydrophobicContact CG2-CB 3.91Å; I133-A136 HydrophobicContact CD1-CB 3.68Å; I133-A136 HydrophobicContact CG1-CB 4.23Å; A136-I151 PolarHBondContact N-O 3.22Å; A136-I151 PolarHBondContact O-N 3.34Å; A136-N303 CarbonylContact C-O 3.55Å; A136-N303 VanDerWaalsContact CA-O 3.29Å; A136-N303 WeakPolarHBondContact CA-O 3.42Å; A136-N303 HydrophobicContact CB-CB 4.2Å; A136-V305 HydrophobicContact CB-CG2 3.94Å |
| 137 | L | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 117.4 | 164.1 | -174 | 66.6 | 0 | 0 | 0 | 108.5 | V148 P150 I284 L288 L300 N303 L304 V305 | L137-V148 HydrophobicContact CD1-CG1 3.59Å; L137-V148 HydrophobicContact CD2-CG1 4.42Å; L137-V148 HydrophobicContact CG-CG1 4.07Å; L137-P150 HydrophobicContact CD1-CB 3.73Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; L137-I284 HydrophobicContact CD2-CB 4.28Å; L137-I284 HydrophobicContact CD2-CG2 3.37Å; L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD2-CD1 3.83Å; L137-L288 HydrophobicContact CD2-CD2 4.01Å; L137-L288 HydrophobicContact CD2-CG 3.79Å; L137-L300 HydrophobicContact CB-CB 4.41Å; L137-N303 PolarHBondContact N-O 3.2Å; L137-L304 HydrophobicContact CB-CD1 4.19Å; L137-L304 HydrophobicContact CD2-CD1 4.05Å; L137-L304 HydrophobicContact CG-CD1 4.15Å; L137-V305 PolarHBondContact O-N 2.69Å |
| 138 | V | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.2 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | H124 A127 V128 V148 L149 I151 V305 I307 | H124-V138 HydrophobicContact CB-CB 4.16Å; H124-V138 HydrophobicContact CB-CG1 4.16Å; A127-V138 HydrophobicContact CB-CG1 4.37Å; V128-V138 HydrophobicContact CG2-CG2 3.31Å; V138-V148 WeakPolarHBondContact O-CA 3.47Å; V138-L149 PolarHBondContact N-O 2.92Å; V138-L149 PolarHBondContact O-N 3.24Å; V138-I151 HydrophobicContact CG2-CD1 3.91Å; V138-V305 CarbonylContact C-O 3.57Å; V138-V305 WeakPolarHBondContact CA-O 3.5Å; V138-V305 HydrophobicContact CG2-CB 4.32Å; V138-I307 HydrophobicContact CG1-CD1 3.78Å; V138-I307 HydrophobicContact CG1-CG1 4.1Å |
| 139 | M | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.5 | 175.4 | 177.9 | -161 | -172.4 | 0 | 0 | 109 | C141 T146 L147 V148 V280 I284 V305 V306 I307 L320 | M139-C141 WeakPolarHBondContact CE-SG 3.36Å; M139-T146 HydrophobicContact CE-CG2 3.81Å; M139-T146 HydrophobicContact CG-CG2 4.26Å; M139-L147 CarbonylContact C-O 3.55Å; M139-L147 WeakPolarHBondContact CA-O 3.46Å; M139-V148 HydrophobicContact CB-CG2 4.06Å; M139-V148 HydrophobicContact CG-CG2 3.85Å; M139-V280 HydrophobicContact CE-CB 4.32Å; M139-V280 HydrophobicContact CE-CG1 2.95Å; M139-I284 HydrophobicContact CE-CD1 4.43Å; M139-I284 HydrophobicContact SD-CD1 3.75Å; M139-I284 HydrophobicContact SD-CG1 4.24Å; M139-V305 PolarHBondContact N-O 2.68Å; M139-V306 HydrophobicContact SD-CG1 4.2Å; M139-V306 HydrophobicContact SD-CG2 4.28Å; M139-I307 PolarHBondContact O-N 3.39Å; M139-L320 HydrophobicContact CE-CD1 4.38Å; M139-L320 HydrophobicContact CE-CD2 4.34Å; M139-L320 HydrophobicContact SD-CD2 3.76Å |
| 140 | D | 94.4 | Very high | 92.6 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 106.3 | 176.9 | -170.1 | -0.5 | 0 | 0 | 0 | 110.7 | H124 G142 T146 L147 I307 G308 | H124-D140 WeakPolarHBondContact NE2-CB 3.45Å; D140-G142 PolarHBondContact O-N 2.56Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.26Å; D140-T146 WeakPolarHBondContact O-CA 3.36Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 2.9Å; D140-I307 HydrophobicContact CB-CD1 3.93Å; D140-I307 HydrophobicContact CB-CG1 3.66Å; D140-G308 WeakPolarHBondContact OD1-CA 3.44Å |
| 141 | C | 93.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 84.3 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | M139 I307 G308 G309 T310 | M139-C141 WeakPolarHBondContact CE-SG 3.36Å; C141-I307 PolarHBondContact N-O 3.5Å; C141-G308 CarbonylContact O-C 3.53Å; C141-G308 WeakPolarHBondContact O-CA 3.48Å; C141-G309 PolarHBondContact O-N 2.96Å; C141-T310 PolarHBondContact O-N 3.14Å; C141-T310 PolarHBondContact O-OG1 3.25Å |
| 142 | G | 91.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 23.1 Ų | 23.1 | 20% | 0.196 | 14% | 0.136 | C | C | . | . | trans | -82.5 | -165.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | D140 E145 G168 T310 | D140-G142 PolarHBondContact O-N 2.56Å; G142-E145 WeakPolarHBondContact CA-O 3.14Å; G142-E145 PolarHBondContact N-O 3.3Å; G142-G168 PolarHBondContact O-N 3.38Å; G142-G168 VanDerWaalsContact O-N 3.13Å; G142-T310 PolarHBondContact O-OG1 2.95Å | ||
| 143 | Y | 91.3 | Very high | 93 | Very high | 35 Ų | 35 | 24.8 Ų | 24.8 | 14% | 0.137 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -79.2 | -50 | 174.6 | -175.7 | -116 | 0 | 0 | 0 | 111.9 | A22 A23 G167 G168 K169 H172 E204 | A22-Y143 HydrophobicContact CB-CD1 4.15Å; A23-Y143 HydrophobicContact CB-CD1 3.95Å; A23-Y143 HydrophobicContact CB-CD2 3.92Å; A23-Y143 HydrophobicContact CB-CE1 4.45Å; A23-Y143 HydrophobicContact CB-CE2 4.47Å; A23-Y143 HydrophobicContact CB-CG 3.64Å; Y143-G167 CarbonylContact O-C 3.56Å; Y143-G168 PolarHBondContact O-N 3.42Å; Y143-K169 HydrophobicContact CD1-CB 4.42Å; Y143-K169 HydrophobicContact CE1-CB 4.18Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.4Å; Y143-K169 PolarHBondContact O-N 3.36Å; Y143-H172 AromaticContact CE2-CE1 3.61Å; Y143-H172 AromaticContact CE2-ND1 3.61Å; Y143-H172 AromaticContact CZ-ND1 3.91Å; Y143-H172 PolarHBondContact OH-ND1 2.81Å; Y143-E204 PolarHBondContact OH-OE2 2.83Å; Y143-E204 VanDerWaalsContact OH-OE2 3.07Å |
| 144 | T | 90 | Very high | 92.7 | Very high | 57 Ų | 57 | 25.3 Ų | 25.3 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -81.6 | -41.5 | -175.6 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | A22 | A22-T144 WeakPolarHBondContact CB-OG1 3.44Š|
| 145 | E | 91.5 | Very high | 92.5 | Very high | 63 Ų | 63 | 25.6 Ų | 25.6 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | trans | -148.5 | 160.8 | -170.9 | 63.8 | -171.7 | 168.9 | 0 | 0 | 110.7 | G142 L164 | G142-E145 WeakPolarHBondContact CA-O 3.14Å; G142-E145 PolarHBondContact N-O 3.3Å; E145-L164 CarbonylContact C-O 3.56Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.48Å; E145-L164 WeakPolarHBondContact CB-O 3.28Å | ||
| 146 | T | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.9 | 164.5 | -66.5 | 0 | 0 | 0 | 0 | 108.3 | M139 D140 A163 L164 L166 V280 L283 | M139-T146 HydrophobicContact CE-CG2 3.81Å; M139-T146 HydrophobicContact CG-CG2 4.26Å; D140-T146 CarbonylContact O-C 3.57Å; D140-T146 VanDerWaalsContact O-CA 3.26Å; D140-T146 WeakPolarHBondContact O-CA 3.36Å; T146-A163 VanDerWaalsContact O-CA 3.32Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; T146-L164 PolarHBondContact N-O 3.17Å; T146-L164 PolarHBondContact O-N 3.02Å; T146-L166 VanDerWaalsContact CB-O 3.31Å; T146-L166 WeakPolarHBondContact CB-O 3.31Å; T146-L166 PolarHBondContact N-O 2.91Å; T146-L166 PolarHBondContact OG1-O 3.39Å; T146-V280 HydrophobicContact CG2-CG1 4.46Å; T146-L283 HydrophobicContact CG2-CD2 4.03Å |
| 147 | L | 93.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.3 | -177.9 | 175.6 | 55.6 | 0 | 0 | 0 | 109.6 | S94 L96 H124 M139 D140 W161 E162 A163 | S94-L147 WeakPolarHBondContact OG-CD2 3.39Å; L96-L147 HydrophobicContact CD1-CD1 3.75Å; L96-L147 HydrophobicContact CD1-CD2 3.95Å; L96-L147 HydrophobicContact CD1-CG 4.47Å; L96-L147 HydrophobicContact CG-CD1 4.41Å; L96-L147 HydrophobicContact CG-CD2 4.03Å; H124-L147 WeakPolarHBondContact CE1-CD2 3.35Å; M139-L147 CarbonylContact C-O 3.55Å; M139-L147 WeakPolarHBondContact CA-O 3.46Å; D140-L147 PolarHBondContact N-O 3.12Å; D140-L147 PolarHBondContact O-N 2.9Å; L147-W161 HydrophobicContact CD1-CB 4.5Å; L147-W161 HydrophobicContact CD1-CE3 3.93Å; L147-E162 WeakPolarHBondContact CD1-O 3.4Å; L147-A163 HydrophobicContact CD1-CB 4.04Å |
| 148 | V | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.8 | 170.8 | 174 | 0 | 0 | 0 | 0 | 108.7 | L137 V138 M139 W161 E162 L283 I284 A287 | L137-V148 HydrophobicContact CD1-CG1 3.59Å; L137-V148 HydrophobicContact CD2-CG1 4.42Å; L137-V148 HydrophobicContact CG-CG1 4.07Å; V138-V148 WeakPolarHBondContact O-CA 3.47Å; M139-V148 HydrophobicContact CB-CG2 4.06Å; M139-V148 HydrophobicContact CG-CG2 3.85Å; V148-W161 WeakPolarHBondContact O-CA 3.34Å; V148-E162 PolarHBondContact N-O 3.18Å; V148-E162 PolarHBondContact O-N 2.87Å; V148-E162 VanDerWaalsContact O-N 3.17Å; V148-L283 HydrophobicContact CB-CD2 4.34Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.28Å; V148-L283 HydrophobicContact CG2-CD2 3.67Å; V148-L283 HydrophobicContact CG2-CG 3.79Å; V148-I284 HydrophobicContact CG2-CG1 4.12Å; V148-A287 HydrophobicContact CG1-CB 3.77Å |
| 149 | L | 93.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 120 | 175 | -173.3 | 81.9 | 0 | 0 | 0 | 111 | I95 H124 V138 I151 P156 W161 | I95-L149 HydrophobicContact CD1-CD1 4.1Å; I95-L149 HydrophobicContact CD1-CD2 3.12Å; I95-L149 HydrophobicContact CD1-CG 4.14Å; H124-L149 HydrophobicContact CB-CB 4.21Å; H124-L149 HydrophobicContact CB-CD2 3.62Å; V138-L149 PolarHBondContact N-O 2.92Å; V138-L149 PolarHBondContact O-N 3.24Å; L149-I151 HydrophobicContact CD2-CD1 4.47Å; L149-I151 HydrophobicContact CD2-CG1 4.17Å; L149-P156 HydrophobicContact CD1-CB 4.49Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.33Å; L149-W161 HydrophobicContact CD1-CB 4Å |
| 150 | P | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.4 | 169.4 | 26.5 | -28.4 | 0 | 0 | 0 | 112 | L137 I157 A160 L300 | L137-P150 HydrophobicContact CD1-CB 3.73Å; L137-P150 HydrophobicContact CD1-CG 4.34Å; P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.17Å; P150-I157 PolarHBondContact O-N 3.46Å; P150-A160 WeakPolarHBondContact CD-O 3.49Å; P150-A160 HydrophobicContact CG-CB 3.46Å; P150-A160 VanDerWaalsContact CG-CB 3.46Å; P150-L300 HydrophobicContact CB-CD1 3.73Å; P150-L300 HydrophobicContact CB-CD2 4.12Å |
| 151 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 126.8 | 174.8 | -63.7 | 165.2 | 0 | 0 | 0 | 107.9 | H124 L125 V128 S135 A136 V138 L149 P156 L300 | H124-I151 VanDerWaalsContact C-CD1 3.47Å; H124-I151 HydrophobicContact CB-CD1 3.97Å; H124-I151 WeakPolarHBondContact O-CD1 3.33Å; L125-I151 HydrophobicContact CB-CD1 4.43Å; L125-I151 HydrophobicContact CD1-CD1 4.47Å; L125-I151 HydrophobicContact CD1-CG2 4.25Å; V128-I151 HydrophobicContact CB-CD1 4.31Å; V128-I151 HydrophobicContact CG2-CB 4.46Å; V128-I151 HydrophobicContact CG2-CD1 3.56Å; S135-I151 CarbonylContact C-O 3.54Å; S135-I151 VanDerWaalsContact CA-O 3.25Å; S135-I151 WeakPolarHBondContact CA-O 3.48Å; A136-I151 PolarHBondContact N-O 3.22Å; A136-I151 PolarHBondContact O-N 3.34Å; V138-I151 HydrophobicContact CG2-CD1 3.91Å; L149-I151 HydrophobicContact CD2-CD1 4.47Å; L149-I151 HydrophobicContact CD2-CG1 4.17Å; I151-P156 HydrophobicContact CG1-CB 4.39Å; I151-L300 VanDerWaalsContact O-CD2 3.24Å; I151-L300 WeakPolarHBondContact O-CD2 3.25Å |
| 152 | Y | 92.9 | Very high | 91 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 31% | 0.314 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.1 | 178.4 | -174.3 | -97.7 | 0 | 0 | 0 | 109.4 | C154 T155 T296 | Y152-C154 VanDerWaalsContact C-N 3.27Å; Y152-C154 PolarHBondContact O-N 3.45Å; Y152-T155 PolarHBondContact N-O 3.48Å; Y152-T155 WeakPolarHBondContact O-CB 3.46Å; Y152-T155 PolarHBondContact O-N 2.9Å; Y152-T155 VanDerWaalsContact O-O 3.13Å; Y152-T296 HydrophobicContact CD1-CG2 4.17Å; Y152-T296 HydrophobicContact CD2-CG2 3.83Å; Y152-T296 HydrophobicContact CE1-CG2 4.36Å; Y152-T296 HydrophobicContact CE2-CG2 4.03Å; Y152-T296 HydrophobicContact CG-CG2 3.9Å |
| 153 | E | 90.9 | Very high | 91 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 50.1 | -175.6 | -62.7 | -58.8 | 151 | 0 | 0 | 112.8 | N134 S135 T155 | N134-E153 PolarHBondContact ND2-OE2 3.05Å; N134-E153 VanDerWaalsContact ND2-OE2 3.16Å; N134-E153 PolarHBondContact O-N 2.63Å; S135-E153 PolarHBondContact OG-N 3.07Å; E153-T155 PolarHBondContact O-N 2.81Å; E153-T155 PolarHBondContact O-OG1 3.03Å |
| 154 | C | 85.8 | Confident | 91 | Very high | 50 Ų | 50 | 41 Ų | 41 | 34% | 0.338 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.6 | -178.7 | -59.7 | 0 | 0 | 0 | 0 | 115.1 | L125 N134 Y152 | L125-C154 WeakPolarHBondContact CD1-O 3.43Å; N134-C154 PolarHBondContact O-N 3.23Å; Y152-C154 VanDerWaalsContact C-N 3.27Å; Y152-C154 PolarHBondContact O-N 3.45Å |
| 155 | T | 87.7 | Confident | 91.1 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 56% | 0.558 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.1 | 176.3 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | Y152 E153 I157 | Y152-T155 PolarHBondContact N-O 3.48Å; Y152-T155 WeakPolarHBondContact O-CB 3.46Å; Y152-T155 PolarHBondContact O-N 2.9Å; Y152-T155 VanDerWaalsContact O-O 3.13Å; E153-T155 PolarHBondContact O-N 2.81Å; E153-T155 PolarHBondContact O-OG1 3.03Å; T155-I157 PolarHBondContact O-N 3.17Å |
| 156 | P | 90.1 | Very high | 91 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.6 | 175.3 | 29.6 | -33.5 | 0 | 0 | 0 | 110 | L149 I151 L158 | L149-P156 HydrophobicContact CD1-CB 4.49Å; L149-P156 HydrophobicContact CD2-CB 3.65Å; L149-P156 HydrophobicContact CG-CB 4.33Å; I151-P156 HydrophobicContact CG1-CB 4.39Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.47Å; P156-L158 PolarHBondContact O-N 3.44Å |
| 157 | I | 90.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | trans | -82.5 | 84.1 | 173.1 | -52.3 | 174.3 | 0 | 0 | 0 | 106.8 | P150 T155 P159 A160 T296 L300 | P150-I157 HydrophobicContact CB-CD1 4.49Å; P150-I157 HydrophobicContact CG-CB 4.17Å; P150-I157 PolarHBondContact O-N 3.46Å; T155-I157 PolarHBondContact O-N 3.17Å; I157-P159 VanDerWaalsContact C-CD 3.43Å; I157-P159 VanDerWaalsContact C-N 3.33Å; I157-A160 HydrophobicContact CB-CB 4.03Å; I157-A160 HydrophobicContact CG2-CB 3.56Å; I157-A160 WeakPolarHBondContact O-CA 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 3.13Å; I157-T296 HydrophobicContact CD1-CG2 4.37Å; I157-L300 HydrophobicContact CD1-CD1 4.49Å | ||
| 158 | L | 87.4 | Confident | 90.6 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -55.8 | -37.1 | -176.5 | -69.4 | 177.1 | 0 | 0 | 0 | 114 | I95 P156 A160 | I95-L158 HydrophobicContact CG2-CD2 3.8Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 HydrophobicContact CB-CD2 4.47Å; P156-L158 PolarHBondContact O-N 3.44Å; L158-A160 PolarHBondContact O-N 3.37Å; L158-A160 VanDerWaalsContact O-N 3.14Å |
| 159 | P | 87.4 | Confident | 90.4 | Very high | 103 Ų | 103 | 47 Ų | 47 | 67% | 0.669 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -71.8 | -1 | 176.5 | -19 | 32.9 | 0 | 0 | 0 | 114.4 | I157 Q291 | I157-P159 VanDerWaalsContact C-CD 3.43Å; I157-P159 VanDerWaalsContact C-N 3.33Å; P159-Q291 VanDerWaalsContact C-OE1 3.25Å; P159-Q291 PolarHBondContact O-OE1 3.14Å |
| 160 | A | 88.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -110.6 | 18.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P150 I157 L158 Q291 | P150-A160 WeakPolarHBondContact CD-O 3.49Å; P150-A160 HydrophobicContact CG-CB 3.46Å; P150-A160 VanDerWaalsContact CG-CB 3.46Å; I157-A160 HydrophobicContact CB-CB 4.03Å; I157-A160 HydrophobicContact CG2-CB 3.56Å; I157-A160 WeakPolarHBondContact O-CA 3.23Å; I157-A160 WeakPolarHBondContact O-CB 3.39Å; I157-A160 PolarHBondContact O-N 3.13Å; L158-A160 PolarHBondContact O-N 3.37Å; L158-A160 VanDerWaalsContact O-N 3.14Å; A160-Q291 VanDerWaalsContact CA-CB 3.44Å; A160-Q291 HydrophobicContact CB-CB 3.67Å |
| 161 | W | 90.6 | Very high | 90.2 | Very high | 112 Ų | 112 | 48 Ų | 48 | 42% | 0.424 | 26% | 0.258 | S | S | . | . | trans | -83.6 | 144.7 | 178.3 | 76.7 | -69 | 0 | 0 | 0 | 111.7 | L96 L147 V148 L149 A163 Q291 | L96-W161 HydrophobicContact CD1-CD2 4.49Å; L96-W161 HydrophobicContact CD1-CE3 3.55Å; L96-W161 HydrophobicContact CD1-CH2 4.04Å; L96-W161 HydrophobicContact CD1-CZ3 3.28Å; L96-W161 HydrophobicContact CD2-CD2 3.93Å; L96-W161 HydrophobicContact CD2-CE3 3.8Å; L96-W161 HydrophobicContact CD2-CH2 3.96Å; L96-W161 HydrophobicContact CD2-CZ2 4.11Å; L96-W161 HydrophobicContact CD2-CZ3 3.82Å; L96-W161 HydrophobicContact CG-CE3 4.24Å; L96-W161 HydrophobicContact CG-CZ3 4.19Å; L147-W161 HydrophobicContact CD1-CB 4.5Å; L147-W161 HydrophobicContact CD1-CE3 3.93Å; V148-W161 WeakPolarHBondContact O-CA 3.34Å; L149-W161 HydrophobicContact CD1-CB 4Å; W161-A163 HydrophobicContact CE3-CB 4.05Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å; W161-Q291 PolarHBondContact O-NE2 3.12Å; W161-Q291 PolarHBondContact O-OE1 3.23Å; W161-Q291 VanDerWaalsContact O-OE1 3.1Å | ||
| 162 | E | 91.8 | Very high | 90 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.3 | 172.3 | -68.2 | -80 | -174.4 | 0 | 0 | 108.7 | L147 V148 L283 A287 Q291 | L147-E162 WeakPolarHBondContact CD1-O 3.4Å; V148-E162 PolarHBondContact N-O 3.18Å; V148-E162 PolarHBondContact O-N 2.87Å; V148-E162 VanDerWaalsContact O-N 3.17Å; E162-L283 HydrophobicContact CB-CD1 3.39Å; E162-L283 HydrophobicContact CB-CG 3.95Å; E162-L283 HydrophobicContact CG-CD1 4.42Å; E162-A287 HydrophobicContact CB-CB 4.37Å; E162-A287 HydrophobicContact CG-CB 3.94Å; E162-Q291 PolarHBondContact OE1-NE2 3.42Å |
| 163 | A | 92.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 52 Ų | 52 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 145.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L96 T146 L147 W161 | L96-A163 HydrophobicContact CD1-CB 4.1Å; T146-A163 VanDerWaalsContact O-CA 3.32Å; T146-A163 WeakPolarHBondContact O-CA 3.19Å; L147-A163 HydrophobicContact CD1-CB 4.04Å; W161-A163 HydrophobicContact CE3-CB 4.05Å; W161-A163 HydrophobicContact CZ3-CB 3.66Å |
| 164 | L | 92.2 | Very high | 89.8 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.9 | 172.2 | -66.7 | 172.5 | 0 | 0 | 0 | 110.2 | E145 T146 L166 K278 S279 L283 | E145-L164 CarbonylContact C-O 3.56Å; E145-L164 VanDerWaalsContact CA-O 3.27Å; E145-L164 WeakPolarHBondContact CA-O 3.48Å; E145-L164 WeakPolarHBondContact CB-O 3.28Å; T146-L164 PolarHBondContact N-O 3.17Å; T146-L164 PolarHBondContact O-N 3.02Å; L164-L166 HydrophobicContact CB-CB 4.3Å; L164-L166 HydrophobicContact CB-CD1 4.41Å; L164-L166 HydrophobicContact CB-CG 4.34Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 3.11Å; L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.17Å; L164-K278 HydrophobicContact CD2-CD 4Å; L164-S279 WeakPolarHBondContact CD1-O 3.4Å; L164-L283 HydrophobicContact CD1-CB 4.18Å; L164-L283 HydrophobicContact CD1-CD1 3.86Å; L164-L283 HydrophobicContact CD1-CD2 4.18Å; L164-L283 HydrophobicContact CD1-CG 4.33Å; L164-L283 HydrophobicContact CD2-CD1 4.43Å; L164-L283 HydrophobicContact CG-CD1 3.69Å; L164-L283 HydrophobicContact CG-CD2 4.13Å; L164-L283 HydrophobicContact CG-CG 4.44Å |
| 165 | P | 90.9 | Very high | 89.9 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 68% | 0.675 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -74.4 | 31.3 | 173.3 | 35.1 | -37.1 | 0 | 0 | 0 | 112.4 | ||
| 166 | L | 89.3 | Confident | 89.9 | Confident | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | trans | -100.4 | 111.5 | 174.7 | -68 | 174.4 | 0 | 0 | 0 | 107.7 | T146 L164 A170 L270 V280 | T146-L166 VanDerWaalsContact CB-O 3.31Å; T146-L166 WeakPolarHBondContact CB-O 3.31Å; T146-L166 PolarHBondContact N-O 2.91Å; T146-L166 PolarHBondContact OG1-O 3.39Å; L164-L166 HydrophobicContact CB-CB 4.3Å; L164-L166 HydrophobicContact CB-CD1 4.41Å; L164-L166 HydrophobicContact CB-CG 4.34Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 3.11Å; L166-A170 HydrophobicContact CD2-CB 4.45Å; L166-L270 HydrophobicContact CB-CD2 4.35Å; L166-V280 HydrophobicContact CB-CG2 4.23Å; L166-V280 HydrophobicContact CD1-CG2 4.26Å | ||
| 167 | G | 88.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -164 | -160.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y143 K169 A170 I171 | Y143-G167 CarbonylContact O-C 3.56Å; G167-K169 PolarHBondContact O-N 3.02Å; G167-A170 PolarHBondContact O-N 3Å; G167-I171 PolarHBondContact O-N 3.42Å |
| 168 | G | 90.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.4 | -34.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G142 Y143 I171 H172 | G142-G168 PolarHBondContact O-N 3.38Å; G142-G168 VanDerWaalsContact O-N 3.13Å; Y143-G168 PolarHBondContact O-N 3.42Å; G168-I171 WeakPolarHBondContact O-CB 3.21Å; G168-I171 PolarHBondContact O-N 3.43Å; G168-H172 PolarHBondContact O-CD2 2.93Å; G168-H172 VanDerWaalsContact O-CG 3.26Å; G168-H172 PolarHBondContact O-N 3.4Å |
| 169 | K | 90.9 | Very high | 89.3 | Confident | 123 Ų | 123 | 43.6 Ų | 43.6 | 54% | 0.535 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68 | -39.4 | 178.8 | -173.7 | 179.9 | -179.6 | -177.4 | 0 | 112.4 | Y143 G167 H172 K173 | Y143-K169 HydrophobicContact CD1-CB 4.42Å; Y143-K169 HydrophobicContact CE1-CB 4.18Å; Y143-K169 HydrophobicContact CE2-CB 4.35Å; Y143-K169 WeakPolarHBondContact O-CB 3.4Å; Y143-K169 PolarHBondContact O-N 3.36Å; G167-K169 PolarHBondContact O-N 3.02Å; K169-H172 PolarHBondContact O-N 3.04Å; K169-K173 PolarHBondContact O-N 3.46Å |
| 170 | A | 91.4 | Very high | 89 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L166 G167 H172 K173 E174 I269 | L166-A170 HydrophobicContact CD2-CB 4.45Å; G167-A170 PolarHBondContact O-N 3Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 2.66Å; A170-K173 PolarHBondContact O-N 3.2Å; A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.13Å; A170-I269 HydrophobicContact CB-CD1 4.43Å |
| 171 | I | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.1 | -46.7 | 173.7 | -67.1 | 168.4 | 0 | 0 | 0 | 111.4 | G167 G168 K173 E174 L175 K211 V266 M267 I269 L270 T310 | G167-I171 PolarHBondContact O-N 3.42Å; G168-I171 WeakPolarHBondContact O-CB 3.21Å; G168-I171 PolarHBondContact O-N 3.43Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.03Å; I171-E174 PolarHBondContact O-N 3.2Å; I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.27Å; I171-L175 PolarHBondContact O-N 2.95Å; I171-K211 HydrophobicContact CG2-CD 3.93Å; I171-K211 HydrophobicContact CG2-CG 4.14Å; I171-V266 HydrophobicContact CG2-CG1 3.82Å; I171-M267 HydrophobicContact CD1-CE 4.29Å; I171-M267 HydrophobicContact CD1-SD 4.2Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; I171-I269 HydrophobicContact CG1-CD1 4.07Å; I171-L270 HydrophobicContact CD1-CD1 4.01Å; I171-L270 HydrophobicContact CD1-CD2 4.34Å; I171-L270 HydrophobicContact CD1-CG 4.41Å; I171-L270 HydrophobicContact CG1-CD2 4.47Å; I171-T310 HydrophobicContact CD1-CG2 3.71Å |
| 172 | H | 91 | Very high | 87.7 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 179.2 | -73.6 | -165.4 | 0 | 0 | 0 | 111.9 | Y143 G168 K169 A170 N176 V207 K211 | Y143-H172 AromaticContact CE2-CE1 3.61Å; Y143-H172 AromaticContact CE2-ND1 3.61Å; Y143-H172 AromaticContact CZ-ND1 3.91Å; Y143-H172 PolarHBondContact OH-ND1 2.81Å; G168-H172 PolarHBondContact O-CD2 2.93Å; G168-H172 VanDerWaalsContact O-CG 3.26Å; G168-H172 PolarHBondContact O-N 3.4Å; K169-H172 PolarHBondContact O-N 3.04Å; A170-H172 VanDerWaalsContact C-N 3.35Å; A170-H172 PolarHBondContact O-N 2.66Å; H172-N176 VanDerWaalsContact O-CB 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.39Å; H172-N176 PolarHBondContact O-N 2.95Å; H172-N176 PolarHBondContact O-ND2 3.47Å; H172-V207 HydrophobicContact CB-CG1 4.13Å; H172-K211 PolarHBondContact NE2-NZ 3.19Å |
| 173 | K | 89.9 | Confident | 86.6 | Confident | 155 Ų | 155 | 44.7 Ų | 44.7 | 67% | 0.674 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.1 | -46.6 | 178.2 | -173.4 | -172.1 | 174.6 | -163 | 0 | 111.4 | K169 A170 I171 N176 G177 | K169-K173 PolarHBondContact O-N 3.46Å; A170-K173 PolarHBondContact O-N 3.2Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.03Å; K173-N176 PolarHBondContact O-N 3.36Å; K173-G177 PolarHBondContact O-N 3.39Å |
| 174 | E | 88.6 | Confident | 85.6 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.8 | -44.1 | 179.6 | -70.2 | -63.3 | 133.6 | 0 | 0 | 111.8 | A170 I171 N176 G177 F178 I269 | A170-E174 WeakPolarHBondContact O-CG 3.37Å; A170-E174 PolarHBondContact O-N 3.13Å; I171-E174 PolarHBondContact O-N 3.2Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.5Å; E174-G177 PolarHBondContact O-N 3.02Å; E174-G177 VanDerWaalsContact O-N 3.08Å; E174-F178 HydrophobicContact CB-CE2 4.42Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 2.82Å; E174-I269 HydrophobicContact CB-CD1 3.99Å; E174-I269 HydrophobicContact CG-CD1 3.61Å; E174-I269 HydrophobicContact CG-CG2 4.09Å |
| 175 | L | 88.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 175.3 | -175.4 | 58.6 | 0 | 0 | 0 | 110.6 | I171 G177 F178 L179 V207 I210 K211 I262 V266 | I171-L175 VanDerWaalsContact O-CB 3.23Å; I171-L175 WeakPolarHBondContact O-CB 3.27Å; I171-L175 PolarHBondContact O-N 2.95Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.85Å; L175-F178 PolarHBondContact O-N 2.92Å; L175-L179 HydrophobicContact CD1-CD1 4.21Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 HydrophobicContact CG-CG 4.28Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.95Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.75Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4.05Å; L175-K211 HydrophobicContact CD2-CB 4.23Å; L175-I262 HydrophobicContact CD1-CG2 3.97Å; L175-V266 HydrophobicContact CB-CG1 4.14Å; L175-V266 HydrophobicContact CB-CG2 4.25Å; L175-V266 HydrophobicContact CD1-CG2 3.9Å |
| 176 | N | 87.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 42 Ų | 42 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 173.8 | -82.7 | -26 | 0 | 0 | 0 | 113 | H172 K173 E174 V180 V207 | H172-N176 VanDerWaalsContact O-CB 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.39Å; H172-N176 PolarHBondContact O-N 2.95Å; H172-N176 PolarHBondContact O-ND2 3.47Å; K173-N176 PolarHBondContact O-N 3.36Å; E174-N176 VanDerWaalsContact C-N 3.29Å; E174-N176 PolarHBondContact O-N 3.5Å; N176-V180 VanDerWaalsContact O-CG2 3.27Å; N176-V180 WeakPolarHBondContact O-CG2 3.31Å; N176-V180 PolarHBondContact O-N 3.46Å; N176-V180 VanDerWaalsContact O-N 3.07Å; N176-V207 WeakPolarHBondContact OD1-CG2 3.39Å |
| 177 | G | 86.6 | Confident | 82.5 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 32% | 0.32 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.4 | -53.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K173 E174 L175 L179 V180 E181 | K173-G177 PolarHBondContact O-N 3.39Å; E174-G177 PolarHBondContact O-N 3.02Å; E174-G177 VanDerWaalsContact O-N 3.08Å; L175-G177 VanDerWaalsContact C-N 3.34Å; L175-G177 PolarHBondContact O-N 2.85Å; G177-L179 PolarHBondContact O-N 3.28Å; G177-V180 PolarHBondContact O-N 2.91Å; G177-E181 WeakPolarHBondContact O-CG 3.33Å; G177-E181 PolarHBondContact O-N 3.39Å; G177-E181 VanDerWaalsContact O-N 3.1Å |
| 178 | F | 84.8 | Confident | 81.1 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.9 | -36.1 | -179.9 | -69.1 | -57.2 | 0 | 0 | 0 | 113.5 | E174 L175 V180 E181 Q182 I262 V266 | E174-F178 HydrophobicContact CB-CE2 4.42Å; E174-F178 WeakPolarHBondContact O-CD2 3.49Å; E174-F178 PolarHBondContact O-N 2.82Å; L175-F178 PolarHBondContact O-N 2.92Å; F178-V180 VanDerWaalsContact C-N 3.3Å; F178-V180 PolarHBondContact O-N 3.47Å; F178-E181 PolarHBondContact O-N 2.92Å; F178-Q182 PolarHBondContact O-N 3.47Å; F178-I262 HydrophobicContact CB-CB 4.48Å; F178-I262 HydrophobicContact CB-CD1 4.44Å; F178-I262 HydrophobicContact CB-CG1 4.2Å; F178-I262 HydrophobicContact CB-CG2 3.61Å; F178-I262 HydrophobicContact CD2-CG2 4.44Å; F178-I262 HydrophobicContact CG-CG2 4.26Å; F178-V266 HydrophobicContact CD2-CG2 3.51Å; F178-V266 HydrophobicContact CE2-CG2 4.02Å |
| 179 | L | 82.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -37.6 | 176 | -73.6 | 175.8 | 0 | 0 | 0 | 111.5 | L175 G177 C183 V195 I202 I210 L256 | L175-L179 HydrophobicContact CD1-CD1 4.21Å; L175-L179 HydrophobicContact CD1-CG 4.12Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 HydrophobicContact CG-CG 4.28Å; L175-L179 VanDerWaalsContact O-CB 3.28Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.95Å; G177-L179 PolarHBondContact O-N 3.28Å; L179-C183 HydrophobicContact CD2-CB 4.04Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.3Å; L179-V195 WeakPolarHBondContact O-CG2 3.38Å; L179-I202 HydrophobicContact CB-CD1 3.96Å; L179-I202 HydrophobicContact CD1-CD1 3.77Å; L179-I202 HydrophobicContact CG-CD1 4.47Å; L179-I210 HydrophobicContact CD1-CD1 4.11Å; L179-L256 HydrophobicContact CD2-CD2 4.03Å |
| 180 | V | 80.9 | Confident | 78 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 176.8 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | N176 G177 F178 P196 | N176-V180 VanDerWaalsContact O-CG2 3.27Å; N176-V180 WeakPolarHBondContact O-CG2 3.31Å; N176-V180 PolarHBondContact O-N 3.46Å; N176-V180 VanDerWaalsContact O-N 3.07Å; G177-V180 PolarHBondContact O-N 2.91Å; F178-V180 VanDerWaalsContact C-N 3.3Å; F178-V180 PolarHBondContact O-N 3.47Å; V180-P196 HydrophobicContact CG1-CB 4.13Å; V180-P196 HydrophobicContact CG1-CG 4.06Å; V180-P196 VanDerWaalsContact O-CD 3.3Å; V180-P196 WeakPolarHBondContact O-CD 3.46Å |
| 181 | E | 79.7 | Confident | 76.1 | Confident | 145 Ų | 145 | 57 Ų | 57 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -81.6 | -42.2 | -174.9 | -70.8 | 177.1 | -177 | 0 | 0 | 114.2 | G177 F178 | G177-E181 WeakPolarHBondContact O-CG 3.33Å; G177-E181 PolarHBondContact O-N 3.39Å; G177-E181 VanDerWaalsContact O-N 3.1Å; F178-E181 PolarHBondContact O-N 2.92Å |
| 182 | Q | 73 | Confident | 74.5 | Confident | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -119.7 | -8.7 | -162.1 | -64.5 | 174.7 | 19.5 | 0 | 0 | 113.9 | F178 Q259 I262 | F178-Q182 PolarHBondContact O-N 3.47Å; Q182-Q259 PolarHBondContact O-NE2 3.27Å; Q182-I262 HydrophobicContact CB-CD1 3.92Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å |
| 183 | C | 67.8 | Low | 73.1 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.02 | 35% | 0.347 | C | S | . | . | trans | -94.1 | 137.8 | -173.8 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | L179 V195 L256 H257 | L179-C183 HydrophobicContact CD2-CB 4.04Å; L179-C183 WeakPolarHBondContact O-CB 3.48Å; L179-C183 PolarHBondContact O-N 3.3Å; C183-V195 HydrophobicContact CB-CG2 3.89Å; C183-L256 WeakPolarHBondContact SG-CD2 3.43Å; C183-L256 WeakPolarHBondContact SG-CG 3.45Å; C183-H257 PolarHBondContact SG-O 3.26Å | ||
| 184 | T | 71.1 | Confident | 71.6 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.8 | 174.9 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | H257 | T184-H257 PolarHBondContact O-N 3.35Å |
| 185 | V | 73.2 | Confident | 70 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 127 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | Q193 V195 I198 K254 | V185-Q193 PolarHBondContact N-O 2.96Å; V185-Q193 PolarHBondContact O-N 3.12Å; V185-Q193 VanDerWaalsContact O-N 3.11Å; V185-V195 HydrophobicContact CG2-CB 4.37Å; V185-V195 HydrophobicContact CG2-CG2 3.55Å; V185-I198 HydrophobicContact CB-CD1 4.35Å; V185-I198 HydrophobicContact CG1-CD1 4.41Å; V185-K254 HydrophobicContact CG1-CB 4.24Å |
| 186 | D | 66.7 | Low | 68.4 | Low | 39 Ų | 39 | 58.3 Ų | 58.3 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 170.9 | -76.2 | 7.2 | 0 | 0 | 0 | 108.9 | T191 G192 K254 I255 H257 | D186-T191 WeakPolarHBondContact OD1-CA 2.92Å; D186-G192 PolarHBondContact OD1-N 2.9Å; D186-K254 WeakPolarHBondContact O-CA 3.35Å; D186-I255 PolarHBondContact N-O 2.84Å; D186-I255 PolarHBondContact O-N 2.83Å; D186-H257 IonicContact OD1-CD2 3.34Å; D186-H257 IonicContact OD2-CD2 3.62Å; D186-H257 IonicContact OD2-NE2 3.45Å; D186-H257 PolarHBondContact OD2-NE2 3.06Å; D186-H257 VanDerWaalsContact OD2-NE2 3.15Å |
| 187 | T | 67.1 | Low | 66.7 | Low | 29 Ų | 29 | 60.5 Ų | 60.5 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.9 | 169.8 | 49 | 0 | 0 | 0 | 0 | 108 | T189 T190 K254 | T187-T189 PolarHBondContact O-N 3.25Å; T187-T190 PolarHBondContact N-O 3.38Å; T187-T190 CarbonylContact O-C 3.48Å; T187-T190 PolarHBondContact O-N 2.82Å; T187-T190 PolarHBondContact OG1-N 2.98Å; T187-T190 PolarHBondContact OG1-O 3.13Å; T187-T190 PolarHBondContact OG1-OG1 2.75Å; T187-K254 HydrophobicContact CG2-CG 4.23Å |
| 188 | D | 59.8 | Low | 65.3 | Low | 147 Ų | 147 | 61.7 Ų | 61.7 | 79% | 0.786 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -22 | -178.7 | -73.7 | -21.7 | 0 | 0 | 0 | 114.8 | ||
| 189 | T | 57.7 | Low | 64.1 | Low | 130 Ų | 130 | 61.9 Ų | 61.9 | 80% | 0.798 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -16.7 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 115.3 | T187 | T187-T189 PolarHBondContact O-N 3.25Š|
| 190 | T | 58.1 | Low | 63.1 | Low | 61 Ų | 61 | 64.7 Ų | 64.7 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 119.4 | -174.3 | 23.3 | 0 | 0 | 0 | 0 | 111.6 | T187 | T187-T190 PolarHBondContact N-O 3.38Å; T187-T190 CarbonylContact O-C 3.48Å; T187-T190 PolarHBondContact O-N 2.82Å; T187-T190 PolarHBondContact OG1-N 2.98Å; T187-T190 PolarHBondContact OG1-O 3.13Å; T187-T190 PolarHBondContact OG1-OG1 2.75Å |
| 191 | T | 52.9 | Low | 62.5 | Low | 117 Ų | 117 | 67.4 Ų | 67.4 | 72% | 0.718 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.4 | 173.5 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | D186 | D186-T191 WeakPolarHBondContact OD1-CA 2.92Å |
| 192 | G | 57.6 | Low | 62.3 | Low | 43 Ų | 43 | 60.8 Ų | 60.8 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.2 | 33.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | D186 | D186-G192 PolarHBondContact OD1-N 2.9Å |
| 193 | Q | 60.3 | Low | 62.8 | Low | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137 | 174.2 | -69 | -173.7 | -14.1 | 0 | 0 | 111.5 | V185 I198 | V185-Q193 PolarHBondContact N-O 2.96Å; V185-Q193 PolarHBondContact O-N 3.12Å; V185-Q193 VanDerWaalsContact O-N 3.11Å; Q193-I198 HydrophobicContact CB-CD1 3.81Å |
| 194 | S | 58 | Low | 63.5 | Low | 71 Ų | 71 | 65 Ų | 65 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.8 | 177.7 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | A197 | S194-A197 PolarHBondContact O-N 3.43Å; S194-A197 VanDerWaalsContact O-N 3.11Å |
| 195 | V | 56.8 | Low | 64.1 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -42.6 | -45.3 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 115.4 | L179 C183 V185 A197 I198 I199 I202 L256 | L179-V195 WeakPolarHBondContact O-CG2 3.38Å; C183-V195 HydrophobicContact CB-CG2 3.89Å; V185-V195 HydrophobicContact CG2-CB 4.37Å; V185-V195 HydrophobicContact CG2-CG2 3.55Å; V195-A197 PolarHBondContact O-N 2.91Å; V195-A197 VanDerWaalsContact O-N 3.15Å; V195-I198 PolarHBondContact O-N 3.22Å; V195-I199 PolarHBondContact O-N 3.43Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG1-CG1 4.28Å; V195-L256 HydrophobicContact CG2-CD1 4.48Å |
| 196 | P | 55.3 | Low | 64.8 | Low | 71 Ų | 71 | 68.6 Ų | 68.6 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -63.5 | -21.5 | -176 | 17.9 | -29.7 | 0 | 0 | 0 | 114.5 | V180 | V180-P196 HydrophobicContact CG1-CB 4.13Å; V180-P196 HydrophobicContact CG1-CG 4.06Å; V180-P196 VanDerWaalsContact O-CD 3.3Å; V180-P196 WeakPolarHBondContact O-CD 3.46Å |
| 197 | A | 51.5 | Low | 65.8 | Low | 88 Ų | 88 | 66.7 Ų | 66.7 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -77.6 | -20.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S194 V195 | S194-A197 PolarHBondContact O-N 3.43Å; S194-A197 VanDerWaalsContact O-N 3.11Å; V195-A197 PolarHBondContact O-N 2.91Å; V195-A197 VanDerWaalsContact O-N 3.15Å |
| 198 | I | 55.8 | Low | 66.9 | Low | 55 Ų | 55 | 67.5 Ų | 67.5 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -40.4 | -169 | -54 | 175.6 | 0 | 0 | 0 | 112.7 | V185 Q193 V195 | V185-I198 HydrophobicContact CB-CD1 4.35Å; V185-I198 HydrophobicContact CG1-CD1 4.41Å; Q193-I198 HydrophobicContact CB-CD1 3.81Å; V195-I198 PolarHBondContact O-N 3.22Å |
| 199 | I | 59.5 | Low | 68.3 | Low | 39 Ų | 39 | 63.3 Ų | 63.3 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -19.3 | -164 | -62.4 | 172.9 | 0 | 0 | 0 | 112.7 | V195 T201 I202 L250 | V195-I199 PolarHBondContact O-N 3.43Å; I199-T201 PolarHBondContact O-N 2.86Å; I199-I202 HydrophobicContact CG2-CG1 4.26Å; I199-L250 HydrophobicContact CD1-CD1 4.48Å; I199-L250 HydrophobicContact CD1-CD2 4.3Å |
| 200 | G | 63.1 | Low | 69.8 | Low | 59 Ų | 59 | 57.1 Ų | 57.1 | 61% | 0.608 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 67.4 | -60.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 201 | T | 68 | Low | 71.3 | Confident | 118 Ų | 118 | 55.5 Ų | 55.5 | 72% | 0.724 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -146.5 | 126 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | I199 | I199-T201 PolarHBondContact O-N 2.86Š|
| 202 | I | 75.8 | Confident | 73 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.036 | 34% | 0.338 | C | S | . | . | trans | -72 | 134.7 | 176.9 | -56.4 | 173.9 | 0 | 0 | 0 | 108.7 | L179 V195 I199 T206 V207 L256 | L179-I202 HydrophobicContact CB-CD1 3.96Å; L179-I202 HydrophobicContact CD1-CD1 3.77Å; L179-I202 HydrophobicContact CG-CD1 4.47Å; V195-I202 HydrophobicContact CG1-CD1 4.07Å; V195-I202 HydrophobicContact CG1-CG1 4.28Å; I199-I202 HydrophobicContact CG2-CG1 4.26Å; I202-T206 HydrophobicContact CG2-CG2 4.07Å; I202-V207 HydrophobicContact CB-CG2 4.2Å; I202-V207 HydrophobicContact CG2-CG2 3.82Å; I202-L256 HydrophobicContact CD1-CD1 4.38Å | ||
| 203 | P | 82.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 58 Ų | 58 | 46% | 0.461 | 34% | 0.342 | S | S | . | . | trans | -58 | 141.9 | 175.8 | -22.2 | 32.1 | 0 | 0 | 0 | 112.4 | E205 T206 V207 | P203-E205 PolarHBondContact O-N 3.13Å; P203-T206 PolarHBondContact O-N 3.17Å; P203-T206 VanDerWaalsContact O-N 3.11Å; P203-V207 WeakPolarHBondContact O-CG2 3.34Å; P203-V207 PolarHBondContact O-N 2.76Å | ||
| 204 | E | 82.6 | Confident | 75.6 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -32.1 | 178.6 | -71.4 | -168.2 | -158.7 | 0 | 0 | 112.7 | K53 Y143 V207 E208 | K53-E204 IonicContact NZ-OE1 3.21Å; K53-E204 PolarHBondContact NZ-OE1 2.88Å; K53-E204 IonicContact NZ-OE2 3.73Å; K53-E204 PolarHBondContact NZ-OE2 2.94Å; Y143-E204 PolarHBondContact OH-OE2 2.83Å; Y143-E204 VanDerWaalsContact OH-OE2 3.07Å; E204-V207 PolarHBondContact O-N 2.8Å; E204-E208 WeakPolarHBondContact O-CB 3.29Å; E204-E208 PolarHBondContact O-N 2.96Å |
| 205 | E | 84.8 | Confident | 76.9 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 177.1 | -64 | -179.1 | -179.4 | 0 | 0 | 111.9 | R44 P203 E208 D209 | R44-E205 IonicContact CZ-OE1 3.84Å; R44-E205 IonicContact NH2-OE1 3.53Å; R44-E205 PolarHBondContact NH2-OE1 3.38Å; R44-E205 IonicContact NH2-OE2 2.96Å; R44-E205 PolarHBondContact NH2-OE2 2.95Å; P203-E205 PolarHBondContact O-N 3.13Å; E205-E208 PolarHBondContact O-N 3.35Å; E205-D209 PolarHBondContact O-N 2.84Å; E205-D209 VanDerWaalsContact O-N 3.07Å |
| 206 | T | 86.9 | Confident | 78.4 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.1 | -41.3 | 177.8 | -48 | 0 | 0 | 0 | 0 | 111.1 | I202 P203 E208 D209 I210 Y248 L250 | I202-T206 HydrophobicContact CG2-CG2 4.07Å; P203-T206 PolarHBondContact O-N 3.17Å; P203-T206 VanDerWaalsContact O-N 3.11Å; T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 2.87Å; T206-D209 PolarHBondContact O-N 2.8Å; T206-I210 HydrophobicContact CG2-CD1 4.09Å; T206-I210 VanDerWaalsContact O-CG1 3.27Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 3.07Å; T206-Y248 HydrophobicContact CG2-CE1 3.62Å; T206-L250 HydrophobicContact CG2-CD1 4.17Å; T206-L250 HydrophobicContact CG2-CG 4.19Å |
| 207 | V | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | H172 L175 N176 I202 P203 E204 K211 | H172-V207 HydrophobicContact CB-CG1 4.13Å; L175-V207 HydrophobicContact CB-CG1 4.32Å; L175-V207 HydrophobicContact CD2-CG1 3.75Å; L175-V207 HydrophobicContact CG-CG1 4.21Å; N176-V207 WeakPolarHBondContact OD1-CG2 3.39Å; I202-V207 HydrophobicContact CB-CG2 4.2Å; I202-V207 HydrophobicContact CG2-CG2 3.82Å; P203-V207 WeakPolarHBondContact O-CG2 3.34Å; P203-V207 PolarHBondContact O-N 2.76Å; E204-V207 PolarHBondContact O-N 2.8Å; V207-K211 VanDerWaalsContact O-CB 3.31Å; V207-K211 WeakPolarHBondContact O-CB 3.45Å; V207-K211 PolarHBondContact O-N 3.14Å |
| 208 | E | 88.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.4 | 174.2 | 146.5 | -123.1 | 0 | 0 | 112.3 | Y24 E204 E205 T206 K211 A212 | Y24-E208 WeakPolarHBondContact CE2-OE1 3.5Å; Y24-E208 WeakPolarHBondContact CE2-OE2 3.5Å; Y24-E208 PolarHBondContact OH-OE2 2.95Å; E204-E208 WeakPolarHBondContact O-CB 3.29Å; E204-E208 PolarHBondContact O-N 2.96Å; E205-E208 PolarHBondContact O-N 3.35Å; T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 2.87Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 IonicContact OE1-NZ 2.9Å; E208-K211 PolarHBondContact OE1-NZ 3.12Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 2.77Å |
| 209 | D | 89.8 | Confident | 83.5 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 178.5 | -167.1 | 13.8 | 0 | 0 | 0 | 111.8 | E205 T206 K211 A212 R213 Y248 | E205-D209 PolarHBondContact O-N 2.84Å; E205-D209 VanDerWaalsContact O-N 3.07Å; T206-D209 PolarHBondContact O-N 2.8Å; D209-K211 VanDerWaalsContact C-N 3.34Å; D209-K211 PolarHBondContact O-N 2.64Å; D209-A212 PolarHBondContact O-N 2.85Å; D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.83Å; D209-R213 WeakPolarHBondContact OD1-CD 3.37Å; D209-R213 IonicContact OD1-CZ 3.76Å; D209-R213 IonicContact OD1-NE 3.92Å; D209-R213 PolarHBondContact OD1-NE 3.14Å; D209-R213 IonicContact OD1-NH2 3.69Å; D209-R213 IonicContact OD2-CZ 2.65Å; D209-R213 IonicContact OD2-NE 2.68Å; D209-R213 PolarHBondContact OD2-NE 2.9Å; D209-R213 IonicContact OD2-NH2 3.15Å; D209-R213 PolarHBondContact OD2-NH2 3.14Å; D209-Y248 HydrophobicContact CB-CE2 4.49Å; D209-Y248 PolarHBondContact OD2-OH 2.69Å |
| 210 | I | 88.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 170.5 | -67.5 | 166.2 | 0 | 0 | 0 | 110.1 | L175 L179 T206 A212 R213 T214 Y248 V258 | L175-I210 HydrophobicContact CD2-CB 4.42Å; L175-I210 HydrophobicContact CD2-CG2 4.05Å; L179-I210 HydrophobicContact CD1-CD1 4.11Å; T206-I210 HydrophobicContact CG2-CD1 4.09Å; T206-I210 VanDerWaalsContact O-CG1 3.27Å; T206-I210 WeakPolarHBondContact O-CG1 3.42Å; T206-I210 PolarHBondContact O-N 3.07Å; I210-A212 VanDerWaalsContact C-N 3.34Å; I210-A212 PolarHBondContact O-N 2.91Å; I210-R213 PolarHBondContact O-N 3.45Å; I210-T214 HydrophobicContact CG2-CG2 4.25Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CG2 3.31Å; I210-T214 PolarHBondContact O-N 3.5Å; I210-T214 PolarHBondContact O-OG1 2.99Å; I210-Y248 HydrophobicContact CB-CE2 4.42Å; I210-Y248 HydrophobicContact CD1-CD1 4.27Å; I210-Y248 HydrophobicContact CD1-CE1 4.38Å; I210-Y248 HydrophobicContact CD1-CG 4.39Å; I210-Y248 HydrophobicContact CG1-CD1 4.07Å; I210-Y248 HydrophobicContact CG1-CD2 3.55Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.47Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.47Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; I210-V258 HydrophobicContact CG2-CG2 4.39Å |
| 211 | K | 90.1 | Very high | 86.1 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.9 | 173.6 | -163.1 | 71 | -166.6 | 0 | 111.4 | I171 H172 L175 V207 E208 D209 C215 M267 | I171-K211 HydrophobicContact CG2-CD 3.93Å; I171-K211 HydrophobicContact CG2-CG 4.14Å; H172-K211 PolarHBondContact NE2-NZ 3.19Å; L175-K211 HydrophobicContact CD2-CB 4.23Å; V207-K211 VanDerWaalsContact O-CB 3.31Å; V207-K211 WeakPolarHBondContact O-CB 3.45Å; V207-K211 PolarHBondContact O-N 3.14Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 2.93Å; E208-K211 IonicContact OE1-NZ 2.9Å; E208-K211 PolarHBondContact OE1-NZ 3.12Å; D209-K211 VanDerWaalsContact C-N 3.34Å; D209-K211 PolarHBondContact O-N 2.64Å; K211-C215 WeakPolarHBondContact O-CB 3.39Å; K211-C215 PolarHBondContact O-N 3.17Å; K211-M267 HydrophobicContact CG-CE 4.24Å |
| 212 | A | 89.1 | Confident | 86.9 | Confident | 72 Ų | 72 | 50.2 Ų | 50.2 | 60% | 0.595 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70.1 | -37 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E208 D209 I210 | E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 2.77Å; D209-A212 PolarHBondContact O-N 2.85Å; I210-A212 VanDerWaalsContact C-N 3.34Å; I210-A212 PolarHBondContact O-N 2.91Å |
| 213 | R | 87.4 | Confident | 87.4 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 53% | 0.525 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -88.4 | -36.7 | -176.5 | -68.3 | -165.3 | -86.6 | 158.4 | -14.2 | 113.7 | D209 I210 Y248 | D209-R213 VanDerWaalsContact CG-NE 3.27Å; D209-R213 WeakPolarHBondContact O-CB 3.33Å; D209-R213 WeakPolarHBondContact O-CG 3.37Å; D209-R213 PolarHBondContact O-N 2.83Å; D209-R213 WeakPolarHBondContact OD1-CD 3.37Å; D209-R213 IonicContact OD1-CZ 3.76Å; D209-R213 IonicContact OD1-NE 3.92Å; D209-R213 PolarHBondContact OD1-NE 3.14Å; D209-R213 IonicContact OD1-NH2 3.69Å; D209-R213 IonicContact OD2-CZ 2.65Å; D209-R213 IonicContact OD2-NE 2.68Å; D209-R213 PolarHBondContact OD2-NE 2.9Å; D209-R213 IonicContact OD2-NH2 3.15Å; D209-R213 PolarHBondContact OD2-NH2 3.14Å; I210-R213 PolarHBondContact O-N 3.45Å; R213-Y248 PolarHBondContact NH2-OH 3.36Å |
| 214 | T | 84.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -105.1 | -38.6 | -168.1 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | I210 V246 R263 | I210-T214 HydrophobicContact CG2-CG2 4.25Å; I210-T214 WeakPolarHBondContact CG2-OG1 3.23Å; I210-T214 WeakPolarHBondContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CG2 3.31Å; I210-T214 PolarHBondContact O-N 3.5Å; I210-T214 PolarHBondContact O-OG1 2.99Å; T214-V246 HydrophobicContact CG2-CG1 4.1Å; T214-R263 PolarHBondContact O-NE 3.43Å; T214-R263 PolarHBondContact O-NH2 3.18Å |
| 215 | C | 86.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | trans | -76.1 | 143.5 | -171.4 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | K211 M267 | K211-C215 WeakPolarHBondContact O-CB 3.39Å; K211-C215 PolarHBondContact O-N 3.17Å; C215-M267 HydrophobicContact CB-CE 3.38Å; C215-M267 HydrophobicContact CB-CG 4.26Å; C215-M267 HydrophobicContact CB-SD 4.49Å | ||
| 216 | F | 88.1 | Confident | 87.6 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | trans | -141.4 | 155.4 | 172.6 | 66 | -88.5 | 0 | 0 | 0 | 110 | P243 D264 M267 P314 | F216-P243 HydrophobicContact CE1-CB 3.95Å; F216-P243 HydrophobicContact CE1-CG 4Å; F216-P243 HydrophobicContact CZ-CB 3.77Å; F216-P243 HydrophobicContact CZ-CG 3.89Å; F216-D264 VanDerWaalsContact CE1-OD1 3.28Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.26Å; F216-D264 VanDerWaalsContact CE2-OD1 3.29Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.28Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.46Å; F216-M267 WeakPolarHBondContact O-CG 3.32Å; F216-P314 HydrophobicContact CB-CG 3.87Å | ||
| 217 | V | 89.3 | Confident | 87.4 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 124.8 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | F271 L313 P314 F316 R319 | V217-F271 HydrophobicContact CG1-CE2 3.8Å; V217-F271 HydrophobicContact CG1-CZ 4.45Å; V217-L313 HydrophobicContact CG2-CB 3.91Å; V217-L313 HydrophobicContact CG2-CD1 4.39Å; V217-P314 WeakPolarHBondContact CB-O 3.16Å; V217-P314 PolarHBondContact N-O 3.41Å; V217-F316 HydrophobicContact CG2-CB 4.02Å; V217-F316 HydrophobicContact CG2-CD2 4.2Å; V217-R319 HydrophobicContact CG1-CB 3.54Å; V217-R319 HydrophobicContact CG1-CG 3.7Å |
| 218 | S | 89.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 150.9 | 176.6 | -77.7 | 0 | 0 | 0 | 0 | 112.3 | R319 | S218-R319 VanDerWaalsContact O-CD 3.28Å; S218-R319 WeakPolarHBondContact O-CD 3.47Å; S218-R319 PolarHBondContact O-NH1 3.2Å |
| 219 | D | 90.5 | Very high | 86.7 | Confident | 93 Ų | 93 | 50.9 Ų | 50.9 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 157.8 | 172.7 | -69.9 | -41.2 | 0 | 0 | 0 | 112.6 | Q221 R222 G223 H318 | D219-Q221 PolarHBondContact O-N 3.44Å; D219-R222 PolarHBondContact O-N 3.07Å; D219-R222 VanDerWaalsContact O-N 3.08Å; D219-G223 PolarHBondContact O-N 3.35Å; D219-H318 IonicContact OD1-CE1 3.7Å; D219-H318 IonicContact OD1-ND1 3.33Å; D219-H318 PolarHBondContact OD1-ND1 2.95Å |
| 220 | L | 89 | Confident | 86.1 | Confident | 32 Ų | 32 | 52 Ų | 52 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.9 | -51 | -178 | 177.6 | 66.3 | 0 | 0 | 0 | 113.1 | R222 G223 L224 A322 E323 L326 | L220-R222 PolarHBondContact O-N 3.47Å; L220-G223 PolarHBondContact O-N 3.47Å; L220-L224 HydrophobicContact CD1-CD1 4.44Å; L220-L224 HydrophobicContact CD1-CG 4.45Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.34Å; L220-A322 HydrophobicContact CB-CB 4.08Å; L220-A322 HydrophobicContact CD2-CB 4.11Å; L220-E323 VanDerWaalsContact CD1-CD 3.44Å; L220-E323 WeakPolarHBondContact CD1-OE1 3.46Å; L220-E323 WeakPolarHBondContact CD1-OE2 3.42Å; L220-L326 HydrophobicContact CD1-CD2 4.07Å; L220-L326 HydrophobicContact CD2-CB 4.33Å; L220-L326 HydrophobicContact CD2-CD2 4.27Å |
| 221 | Q | 88.1 | Confident | 85.3 | Confident | 161 Ų | 161 | 58.7 Ų | 58.7 | 75% | 0.752 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -34.3 | -178.5 | -67.5 | -179.4 | -18.9 | 0 | 0 | 112.5 | D219 K225 | D219-Q221 PolarHBondContact O-N 3.44Å; Q221-K225 WeakPolarHBondContact O-CG 3.26Å; Q221-K225 PolarHBondContact O-N 2.94Å |
| 222 | R | 86.1 | Confident | 84.4 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.8 | -42 | 177.3 | -171.3 | 177.9 | -174.4 | 167.4 | 1.5 | 110.7 | D219 L220 L224 K225 I226 P240 A241 P243 D264 | D219-R222 PolarHBondContact O-N 3.07Å; D219-R222 VanDerWaalsContact O-N 3.08Å; L220-R222 PolarHBondContact O-N 3.47Å; R222-L224 PolarHBondContact O-N 3.09Å; R222-K225 PolarHBondContact O-N 2.87Å; R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 VanDerWaalsContact O-CG1 3.29Å; R222-I226 WeakPolarHBondContact O-CG1 3.48Å; R222-I226 PolarHBondContact O-N 3.02Å; R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.07Å; R222-A241 PolarHBondContact NH2-O 3.3Å; R222-P243 VanDerWaalsContact NH2-CD 3.31Å; R222-D264 IonicContact CZ-OD2 2.69Å; R222-D264 IonicContact NE-OD2 2.7Å; R222-D264 PolarHBondContact NE-OD2 3.03Å; R222-D264 IonicContact NH1-OD2 3.88Å; R222-D264 IonicContact NH2-OD2 3.5Å; R222-D264 PolarHBondContact NH2-OD2 2.92Å |
| 223 | G | 85.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.3 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D219 L220 K225 I226 Q227 E268 | D219-G223 PolarHBondContact O-N 3.35Å; L220-G223 PolarHBondContact O-N 3.47Å; G223-K225 PolarHBondContact O-N 3.06Å; G223-I226 WeakPolarHBondContact O-CB 3.21Å; G223-I226 PolarHBondContact O-N 2.79Å; G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 3.22Å; G223-E268 VanDerWaalsContact CA-OE2 3.31Å; G223-E268 WeakPolarHBondContact CA-OE2 3.27Å |
| 224 | L | 86.3 | Confident | 81.1 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 176.9 | -68.5 | 172.4 | 0 | 0 | 0 | 112.5 | L220 R222 I226 Q227 E228 | L220-L224 HydrophobicContact CD1-CD1 4.44Å; L220-L224 HydrophobicContact CD1-CG 4.45Å; L220-L224 HydrophobicContact CG-CD1 4.35Å; L220-L224 WeakPolarHBondContact O-CG 3.37Å; L220-L224 PolarHBondContact O-N 3.34Å; R222-L224 PolarHBondContact O-N 3.09Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.25Å; L224-Q227 PolarHBondContact O-N 3.42Å; L224-E228 WeakPolarHBondContact O-CG 3.36Å; L224-E228 PolarHBondContact O-N 3.21Å |
| 225 | K | 86 | Confident | 79.8 | Confident | 112 Ų | 112 | 68.7 Ų | 68.7 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 175.6 | -69.7 | 178.5 | 179.6 | -174 | 0 | 112.8 | Q221 R222 G223 A229 P240 | Q221-K225 WeakPolarHBondContact O-CG 3.26Å; Q221-K225 PolarHBondContact O-N 2.94Å; R222-K225 PolarHBondContact O-N 2.87Å; G223-K225 PolarHBondContact O-N 3.06Å; K225-A229 VanDerWaalsContact O-CB 3.29Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.13Å; K225-P240 HydrophobicContact CB-CG 4.19Å |
| 226 | I | 83.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.3 | -43 | 175.9 | -68.1 | 164.5 | 0 | 0 | 0 | 110.1 | R222 G223 L224 A229 K230 P240 D264 E268 | R222-I226 HydrophobicContact CG-CD1 4.03Å; R222-I226 VanDerWaalsContact O-CG1 3.29Å; R222-I226 WeakPolarHBondContact O-CG1 3.48Å; R222-I226 PolarHBondContact O-N 3.02Å; G223-I226 WeakPolarHBondContact O-CB 3.21Å; G223-I226 PolarHBondContact O-N 2.79Å; L224-I226 VanDerWaalsContact C-N 3.31Å; L224-I226 PolarHBondContact O-N 3.25Å; I226-A229 PolarHBondContact O-N 3.17Å; I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 3.46Å; I226-P240 HydrophobicContact CG1-CG 4.1Å; I226-D264 HydrophobicContact CD1-CB 4.03Å; I226-E268 HydrophobicContact CG2-CG 4.37Å |
| 227 | Q | 82.8 | Confident | 77.2 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -48.7 | 175.8 | -68.3 | 176.7 | 2 | 0 | 0 | 110.7 | G223 L224 A229 K230 F231 E268 | G223-Q227 WeakPolarHBondContact O-CG 3.18Å; G223-Q227 PolarHBondContact O-N 3.22Å; L224-Q227 PolarHBondContact O-N 3.42Å; Q227-A229 VanDerWaalsContact C-N 3.3Å; Q227-A229 PolarHBondContact O-N 3.18Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.26Å; Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.24Å; Q227-E268 HydrophobicContact CG-CG 4.02Å; Q227-E268 PolarHBondContact NE2-OE1 2.94Å |
| 228 | E | 82.3 | Confident | 76 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 52% | 0.523 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -54.9 | -47.1 | 174 | -72.6 | 171.6 | -178.6 | 0 | 0 | 111 | L224 K230 F231 N232 | L224-E228 WeakPolarHBondContact O-CG 3.36Å; L224-E228 PolarHBondContact O-N 3.21Å; E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.1Å; E228-F231 PolarHBondContact O-N 3.22Å; E228-N232 WeakPolarHBondContact O-CB 3.45Å; E228-N232 PolarHBondContact O-N 3.39Å; E228-N232 PolarHBondContact O-ND2 3.39Å |
| 229 | A | 79.9 | Confident | 74.9 | Confident | 29 Ų | 29 | 86.8 Ų | 86.8 | 24% | 0.24 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K225 I226 Q227 | K225-A229 VanDerWaalsContact O-CB 3.29Å; K225-A229 WeakPolarHBondContact O-CB 3.37Å; K225-A229 PolarHBondContact O-N 3.13Å; I226-A229 PolarHBondContact O-N 3.17Å; Q227-A229 VanDerWaalsContact C-N 3.3Å; Q227-A229 PolarHBondContact O-N 3.18Å |
| 230 | K | 77.1 | Confident | 74 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 175.3 | -75.9 | -175.2 | -176.4 | -175.5 | 0 | 112.4 | I226 Q227 E228 E272 | I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 3.46Å; Q227-K230 WeakPolarHBondContact O-CB 3.39Å; Q227-K230 PolarHBondContact O-N 3.26Å; E228-K230 VanDerWaalsContact C-N 3.3Å; E228-K230 PolarHBondContact O-N 3.1Å; K230-E272 IonicContact NZ-OE2 3.66Å; K230-E272 PolarHBondContact NZ-OE2 3.43Å |
| 231 | F | 71 | Confident | 73.3 | Confident | 141 Ų | 141 | 86.1 Ų | 86.1 | 62% | 0.618 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -95.1 | -5.4 | -173.6 | -68.2 | -71.6 | 0 | 0 | 0 | 114.4 | Q227 E228 L233 E272 | Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.24Å; E228-F231 PolarHBondContact O-N 3.22Å; F231-L233 PolarHBondContact O-N 3.36Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.42Å; F231-E272 WeakPolarHBondContact CZ-OE1 3.44Å |
| 232 | N | 70.6 | Confident | 72.6 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | trans | -79.2 | 109 | 179.7 | -83.9 | -42.9 | 0 | 0 | 0 | 112.4 | E228 A237 | E228-N232 WeakPolarHBondContact O-CB 3.45Å; E228-N232 PolarHBondContact O-N 3.39Å; E228-N232 PolarHBondContact O-ND2 3.39Å; N232-A237 HydrophobicContact CB-CB 4.48Å; N232-A237 WeakPolarHBondContact ND2-CB 3.41Å | ||
| 233 | L | 55.8 | Low | 72.2 | Confident | 172 Ų | 172 | 79.9 Ų | 79.9 | 90% | 0.901 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -76.8 | -22.4 | 168.8 | -76.9 | 114.5 | 0 | 0 | 0 | 113.2 | F231 | F231-L233 PolarHBondContact O-N 3.36Š|
| 234 | D | 52.7 | Low | 72.1 | Confident | 140 Ų | 140 | 84.7 Ų | 84.7 | 75% | 0.749 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -92.5 | 0.9 | -169.5 | -68.6 | -31.5 | 0 | 0 | 0 | 114.6 | T236 | D234-T236 PolarHBondContact O-N 2.92Š|
| 235 | G | 57.7 | Low | 72.1 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 74% | 0.742 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 68.2 | 12.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 236 | T | 58.8 | Low | 72 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 69% | 0.693 | 47% | 0.472 | S | S | * | . | trans | -89.7 | -17.6 | -174.1 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | D234 | D234-T236 PolarHBondContact O-N 2.92Š| ||
| 237 | A | 60.4 | Low | 72.1 | Confident | 35 Ų | 35 | 87.7 Ų | 87.7 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -91.4 | 116.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N232 R239 | N232-A237 HydrophobicContact CB-CB 4.48Å; N232-A237 WeakPolarHBondContact ND2-CB 3.41Å; A237-R239 PolarHBondContact O-N 3.01Å |
| 238 | E | 62.6 | Low | 72.1 | Confident | 181 Ų | 181 | 86.7 Ų | 86.7 | 85% | 0.846 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 122.6 | 171.4 | -69.1 | -176.6 | 168 | 0 | 0 | 110.1 | ||
| 239 | R | 67.1 | Low | 72.2 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.2 | 169.3 | -164.8 | 173.1 | -173.7 | 163.2 | 0.3 | 107.8 | A237 S261 S265 | A237-R239 PolarHBondContact O-N 3.01Å; R239-S261 PolarHBondContact NH2-O 3.21Å; R239-S265 PolarHBondContact NH2-OG 3.08Å |
| 240 | P | 71.8 | Confident | 72 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 19% | 0.188 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 150.9 | 175.7 | 22.1 | -30.9 | 0 | 0 | 0 | 110 | R222 K225 I226 P242 | R222-P240 HydrophobicContact CG-CB 4.48Å; R222-P240 HydrophobicContact CG-CG 4.07Å; K225-P240 HydrophobicContact CB-CG 4.19Å; I226-P240 HydrophobicContact CG1-CG 4.1Å; P240-P242 VanDerWaalsContact O-N 3.16Å |
| 241 | A | 73.4 | Confident | 71.8 | Confident | 82 Ų | 82 | 86.7 Ų | 86.7 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -47.6 | 124.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | R222 | R222-A241 PolarHBondContact NH2-O 3.3Š|
| 242 | P | 73.9 | Confident | 71.5 | Confident | 81 Ų | 81 | 83.4 Ų | 83.4 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 149.8 | -178.1 | 26.8 | -33 | 0 | 0 | 0 | 109.4 | P240 | P240-P242 VanDerWaalsContact O-N 3.16Š|
| 243 | P | 77.8 | Confident | 71.6 | Confident | 14 Ų | 14 | 86.8 Ų | 86.8 | 9% | 0.091 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 167.2 | 170.4 | 32.9 | -29.8 | 0 | 0 | 0 | 109.3 | F216 R222 D245 G260 D264 | F216-P243 HydrophobicContact CE1-CB 3.95Å; F216-P243 HydrophobicContact CE1-CG 4Å; F216-P243 HydrophobicContact CZ-CB 3.77Å; F216-P243 HydrophobicContact CZ-CG 3.89Å; R222-P243 VanDerWaalsContact NH2-CD 3.31Å; P243-D245 PolarHBondContact O-N 2.89Å; P243-G260 VanDerWaalsContact CD-C 3.45Å; P243-G260 WeakPolarHBondContact CD-O 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.31Å; P243-G260 WeakPolarHBondContact O-CA 3.44Å; P243-D264 WeakPolarHBondContact CD-OD2 3.43Å; P243-D264 WeakPolarHBondContact CG-OD2 3.27Å |
| 244 | P | 83.8 | Confident | 72.6 | Confident | 101 Ų | 101 | 81.5 Ų | 81.5 | 66% | 0.656 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 141.3 | 179.7 | 24.9 | -34.8 | 0 | 0 | 0 | 111.3 | R263 | P244-R263 PolarHBondContact O-NH1 3.36Š|
| 245 | D | 85 | Confident | 74.1 | Confident | 103 Ų | 103 | 78.4 Ų | 78.4 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 148.8 | 170.7 | -56.9 | -34.7 | 0 | 0 | 0 | 109.7 | P243 V258 Q259 G260 | P243-D245 PolarHBondContact O-N 2.89Å; D245-V258 WeakPolarHBondContact CA-O 3.03Å; D245-Q259 VanDerWaalsContact OD1-CA 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CA 3.38Å; D245-G260 PolarHBondContact OD1-N 2.6Å |
| 246 | V | 84.7 | Confident | 75.2 | Confident | 49 Ų | 49 | 75 Ų | 75 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.9 | -178.3 | 175 | 0 | 0 | 0 | 0 | 110 | T214 V258 | T214-V246 HydrophobicContact CG2-CG1 4.1Å; V246-V258 PolarHBondContact N-O 3.21Å; V246-V258 WeakPolarHBondContact O-CA 3.44Å; V246-V258 WeakPolarHBondContact O-CB 3.43Å; V246-V258 PolarHBondContact O-N 3.29Å |
| 247 | D | 84.8 | Confident | 76.4 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123 | 178.9 | -57.8 | -11 | 0 | 0 | 0 | 109.2 | I255 H257 | D247-I255 HydrophobicContact CB-CG2 3.81Å; D247-H257 IonicContact OD1-CE1 3.92Å; D247-H257 PolarHBondContact OD1-CE1 3.36Å; D247-H257 IonicContact OD1-CG 2.9Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 2.84Å; D247-H257 IonicContact OD2-CE1 2.63Å; D247-H257 PolarHBondContact OD2-CE1 2.99Å; D247-H257 IonicContact OD2-ND1 3.02Å |
| 248 | Y | 83.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.2 | -178.9 | -176.5 | -84.2 | 0 | 0 | 0 | 110.1 | T206 D209 I210 R213 L250 L256 | T206-Y248 HydrophobicContact CG2-CE1 3.62Å; D209-Y248 HydrophobicContact CB-CE2 4.49Å; D209-Y248 PolarHBondContact OD2-OH 2.69Å; I210-Y248 HydrophobicContact CB-CE2 4.42Å; I210-Y248 HydrophobicContact CD1-CD1 4.27Å; I210-Y248 HydrophobicContact CD1-CE1 4.38Å; I210-Y248 HydrophobicContact CD1-CG 4.39Å; I210-Y248 HydrophobicContact CG1-CD1 4.07Å; I210-Y248 HydrophobicContact CG1-CD2 3.55Å; I210-Y248 HydrophobicContact CG1-CE1 4.08Å; I210-Y248 HydrophobicContact CG1-CE2 3.47Å; I210-Y248 VanDerWaalsContact CG1-CE2 3.47Å; I210-Y248 HydrophobicContact CG1-CG 3.84Å; R213-Y248 PolarHBondContact NH2-OH 3.36Å; Y248-L250 PolarHBondContact O-N 2.86Å; Y248-L256 PolarHBondContact N-O 3.42Å; Y248-L256 WeakPolarHBondContact O-CB 3.36Å; Y248-L256 PolarHBondContact O-N 3.4Å |
| 249 | P | 84.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 121.9 | 174.8 | 29.8 | -31.9 | 0 | 0 | 0 | 109.9 | ||
| 250 | L | 75.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -84.4 | -58.3 | -176.4 | -143.8 | 123.2 | 0 | 0 | 0 | 111.6 | I199 T206 Y248 K254 L256 | I199-L250 HydrophobicContact CD1-CD1 4.48Å; I199-L250 HydrophobicContact CD1-CD2 4.3Å; T206-L250 HydrophobicContact CG2-CD1 4.17Å; T206-L250 HydrophobicContact CG2-CG 4.19Å; Y248-L250 PolarHBondContact O-N 2.86Å; L250-K254 HydrophobicContact CB-CB 4.29Å; L250-K254 PolarHBondContact N-O 2.92Å; L250-L256 HydrophobicContact CD1-CB 4.29Å; L250-L256 HydrophobicContact CD1-CD1 3.77Å |
| 251 | D | 71.6 | Confident | 79.8 | Confident | 127 Ų | 127 | 59 Ų | 59 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -136.6 | 27.6 | -178.4 | -69.9 | -44.6 | 0 | 0 | 0 | 112.3 | E253 | D251-E253 PolarHBondContact O-N 2.77Š|
| 252 | G | 65.5 | Low | 80.3 | Confident | 71 Ų | 71 | 55.1 Ų | 55.1 | 73% | 0.732 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 78.6 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 253 | E | 71.9 | Confident | 80.7 | Confident | 139 Ų | 139 | 52.6 Ų | 52.6 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -103.3 | -12.3 | 176.8 | -62.8 | -179.3 | 172.9 | 0 | 0 | 113.6 | D251 | D251-E253 PolarHBondContact O-N 2.77Š|
| 254 | K | 78.3 | Confident | 80.9 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 27% | 0.265 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.8 | -178.1 | -61.9 | 178.2 | -171.4 | 169.3 | 0 | 109.7 | V185 D186 T187 L250 | V185-K254 HydrophobicContact CG1-CB 4.24Å; D186-K254 WeakPolarHBondContact O-CA 3.35Å; T187-K254 HydrophobicContact CG2-CG 4.23Å; L250-K254 HydrophobicContact CB-CB 4.29Å; L250-K254 PolarHBondContact N-O 2.92Å |
| 255 | I | 82.5 | Confident | 81 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.2 | 174.8 | -59.6 | 175.4 | 0 | 0 | 0 | 108 | D186 D247 | D186-I255 PolarHBondContact N-O 2.84Å; D186-I255 PolarHBondContact O-N 2.83Å; D247-I255 HydrophobicContact CB-CG2 3.81Å |
| 256 | L | 81.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.6 | 179.4 | -177 | 148.2 | 0 | 0 | 0 | 108.3 | L179 C183 V195 I202 Y248 L250 V258 | L179-L256 HydrophobicContact CD2-CD2 4.03Å; C183-L256 WeakPolarHBondContact SG-CD2 3.43Å; C183-L256 WeakPolarHBondContact SG-CG 3.45Å; V195-L256 HydrophobicContact CG2-CD1 4.48Å; I202-L256 HydrophobicContact CD1-CD1 4.38Å; Y248-L256 PolarHBondContact N-O 3.42Å; Y248-L256 WeakPolarHBondContact O-CB 3.36Å; Y248-L256 PolarHBondContact O-N 3.4Å; L250-L256 HydrophobicContact CD1-CB 4.29Å; L250-L256 HydrophobicContact CD1-CD1 3.77Å; L256-V258 HydrophobicContact CD2-CB 4.43Å; L256-V258 HydrophobicContact CD2-CG2 3.24Å; L256-V258 PolarHBondContact O-N 3.06Å |
| 257 | H | 83.4 | Confident | 81.3 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 97.1 | -178.6 | -69.1 | -72.6 | 0 | 0 | 0 | 110.4 | C183 T184 D186 D247 Q259 | C183-H257 PolarHBondContact SG-O 3.26Å; T184-H257 PolarHBondContact O-N 3.35Å; D186-H257 IonicContact OD1-CD2 3.34Å; D186-H257 IonicContact OD2-CD2 3.62Å; D186-H257 IonicContact OD2-NE2 3.45Å; D186-H257 PolarHBondContact OD2-NE2 3.06Å; D186-H257 VanDerWaalsContact OD2-NE2 3.15Å; D247-H257 IonicContact OD1-CE1 3.92Å; D247-H257 PolarHBondContact OD1-CE1 3.36Å; D247-H257 IonicContact OD1-CG 2.9Å; D247-H257 IonicContact OD1-ND1 2.75Å; D247-H257 PolarHBondContact OD1-ND1 2.84Å; D247-H257 IonicContact OD2-CE1 2.63Å; D247-H257 PolarHBondContact OD2-CE1 2.99Å; D247-H257 IonicContact OD2-ND1 3.02Å; H257-Q259 PolarHBondContact O-N 3.48Å |
| 258 | V | 82.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.1 | 178.5 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | I210 D245 V246 L256 R263 | I210-V258 HydrophobicContact CG2-CG2 4.39Å; D245-V258 WeakPolarHBondContact CA-O 3.03Å; V246-V258 PolarHBondContact N-O 3.21Å; V246-V258 WeakPolarHBondContact O-CA 3.44Å; V246-V258 WeakPolarHBondContact O-CB 3.43Å; V246-V258 PolarHBondContact O-N 3.29Å; L256-V258 HydrophobicContact CD2-CB 4.43Å; L256-V258 HydrophobicContact CD2-CG2 3.24Å; L256-V258 PolarHBondContact O-N 3.06Å; V258-R263 HydrophobicContact CG1-CG 3.88Å |
| 259 | Q | 83.4 | Confident | 81.8 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 34% | 0.341 | 20% | 0.204 | S | C | . | . | trans | -65.9 | 141.8 | 175.3 | -64.6 | -175.7 | 7.3 | 0 | 0 | 111.8 | Q182 D245 H257 S261 I262 | Q182-Q259 PolarHBondContact O-NE2 3.27Å; D245-Q259 VanDerWaalsContact OD1-CA 3.27Å; D245-Q259 WeakPolarHBondContact OD1-CA 3.38Å; H257-Q259 PolarHBondContact O-N 3.48Å; Q259-S261 PolarHBondContact O-N 3.11Å; Q259-I262 HydrophobicContact CB-CD1 4.06Å; Q259-I262 HydrophobicContact CB-CG1 4.19Å; Q259-I262 WeakPolarHBondContact O-CB 3.5Å; Q259-I262 PolarHBondContact O-N 3.24Å; Q259-I262 VanDerWaalsContact O-N 3.11Å | ||
| 260 | G | 83.2 | Confident | 82 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P243 D245 I262 R263 D264 | P243-G260 VanDerWaalsContact CD-C 3.45Å; P243-G260 WeakPolarHBondContact CD-O 3.46Å; P243-G260 WeakPolarHBondContact CG-O 3.31Å; P243-G260 WeakPolarHBondContact O-CA 3.44Å; D245-G260 PolarHBondContact OD1-N 2.6Å; G260-I262 PolarHBondContact O-N 2.88Å; G260-R263 PolarHBondContact O-N 3.17Å; G260-D264 PolarHBondContact O-N 2.77Å |
| 261 | S | 83.4 | Confident | 82.7 | Confident | 21 Ų | 21 | 32.1 Ų | 32.1 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.5 | -36.4 | 176.7 | -75.4 | 0 | 0 | 0 | 0 | 113.5 | R239 Q259 S265 | R239-S261 PolarHBondContact NH2-O 3.21Å; Q259-S261 PolarHBondContact O-N 3.11Å; S261-S265 WeakPolarHBondContact O-CB 3.34Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 3.15Å |
| 262 | I | 84 | Confident | 83.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.1 | -43.9 | -179.5 | -60.5 | 170.7 | 0 | 0 | 0 | 109.9 | L175 F178 Q182 Q259 G260 D264 S265 V266 | L175-I262 HydrophobicContact CD1-CG2 3.97Å; F178-I262 HydrophobicContact CB-CB 4.48Å; F178-I262 HydrophobicContact CB-CD1 4.44Å; F178-I262 HydrophobicContact CB-CG1 4.2Å; F178-I262 HydrophobicContact CB-CG2 3.61Å; F178-I262 HydrophobicContact CD2-CG2 4.44Å; F178-I262 HydrophobicContact CG-CG2 4.26Å; Q182-I262 HydrophobicContact CB-CD1 3.92Å; Q182-I262 HydrophobicContact CB-CG1 4.46Å; Q259-I262 HydrophobicContact CB-CD1 4.06Å; Q259-I262 HydrophobicContact CB-CG1 4.19Å; Q259-I262 WeakPolarHBondContact O-CB 3.5Å; Q259-I262 PolarHBondContact O-N 3.24Å; Q259-I262 VanDerWaalsContact O-N 3.11Å; G260-I262 PolarHBondContact O-N 2.88Å; I262-D264 PolarHBondContact O-N 2.95Å; I262-S265 PolarHBondContact O-N 3.5Å; I262-V266 HydrophobicContact CG2-CG2 3.84Å; I262-V266 WeakPolarHBondContact O-CB 3.32Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 3.41Å |
| 263 | R | 82.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 27.1 Ų | 27.1 | 11% | 0.106 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | -175.2 | -62.8 | 167.6 | 57.1 | -163.7 | 4 | 112.3 | T214 P244 V258 G260 | T214-R263 PolarHBondContact O-NE 3.43Å; T214-R263 PolarHBondContact O-NH2 3.18Å; P244-R263 PolarHBondContact O-NH1 3.36Å; V258-R263 HydrophobicContact CG1-CG 3.88Å; G260-R263 PolarHBondContact O-N 3.17Å |
| 264 | D | 82.5 | Confident | 84.4 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -79.6 | -45.7 | 177.1 | -67.3 | -5.3 | 0 | 0 | 0 | 111.9 | F216 R222 I226 P243 G260 I262 V266 M267 E268 | F216-D264 VanDerWaalsContact CE1-OD1 3.28Å; F216-D264 WeakPolarHBondContact CE1-OD1 3.26Å; F216-D264 VanDerWaalsContact CE2-OD1 3.29Å; F216-D264 WeakPolarHBondContact CE2-OD1 3.28Å; F216-D264 WeakPolarHBondContact CZ-OD1 3.46Å; R222-D264 IonicContact CZ-OD2 2.69Å; R222-D264 IonicContact NE-OD2 2.7Å; R222-D264 PolarHBondContact NE-OD2 3.03Å; R222-D264 IonicContact NH1-OD2 3.88Å; R222-D264 IonicContact NH2-OD2 3.5Å; R222-D264 PolarHBondContact NH2-OD2 2.92Å; I226-D264 HydrophobicContact CD1-CB 4.03Å; P243-D264 WeakPolarHBondContact CD-OD2 3.43Å; P243-D264 WeakPolarHBondContact CG-OD2 3.27Å; G260-D264 PolarHBondContact O-N 2.77Å; I262-D264 PolarHBondContact O-N 2.95Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.04Å; D264-M267 PolarHBondContact O-N 3.26Å; D264-E268 PolarHBondContact O-N 3.19Å |
| 265 | S | 84.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -31.6 | -173.7 | -73.1 | 0 | 0 | 0 | 0 | 113.6 | R239 S261 I262 M267 E268 | R239-S265 PolarHBondContact NH2-OG 3.08Å; S261-S265 WeakPolarHBondContact O-CB 3.34Å; S261-S265 PolarHBondContact O-N 2.77Å; S261-S265 PolarHBondContact O-OG 3.15Å; I262-S265 PolarHBondContact O-N 3.5Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.97Å; S265-E268 PolarHBondContact O-N 2.7Å |
| 266 | V | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | I171 L175 F178 I262 D264 E268 I269 | I171-V266 HydrophobicContact CG2-CG1 3.82Å; L175-V266 HydrophobicContact CB-CG1 4.14Å; L175-V266 HydrophobicContact CB-CG2 4.25Å; L175-V266 HydrophobicContact CD1-CG2 3.9Å; F178-V266 HydrophobicContact CD2-CG2 3.51Å; F178-V266 HydrophobicContact CE2-CG2 4.02Å; I262-V266 HydrophobicContact CG2-CG2 3.84Å; I262-V266 WeakPolarHBondContact O-CB 3.32Å; I262-V266 WeakPolarHBondContact O-CG2 3.37Å; I262-V266 PolarHBondContact O-N 3.41Å; D264-V266 VanDerWaalsContact C-N 3.35Å; D264-V266 PolarHBondContact O-N 3.04Å; V266-E268 VanDerWaalsContact C-N 3.31Å; V266-I269 WeakPolarHBondContact O-CD1 3.46Å; V266-I269 VanDerWaalsContact O-CG1 3.24Å; V266-I269 WeakPolarHBondContact O-CG1 3.4Å |
| 267 | M | 88.2 | Confident | 84 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -78.9 | -19.2 | -178.1 | -67.1 | -57.8 | 144 | 0 | 0 | 112.9 | I171 K211 C215 F216 D264 S265 I269 L270 L313 | I171-M267 HydrophobicContact CD1-CE 4.29Å; I171-M267 HydrophobicContact CD1-SD 4.2Å; I171-M267 HydrophobicContact CG2-CE 3.6Å; K211-M267 HydrophobicContact CG-CE 4.24Å; C215-M267 HydrophobicContact CB-CE 3.38Å; C215-M267 HydrophobicContact CB-CG 4.26Å; C215-M267 HydrophobicContact CB-SD 4.49Å; F216-M267 WeakPolarHBondContact O-CG 3.32Å; D264-M267 PolarHBondContact O-N 3.26Å; S265-M267 VanDerWaalsContact C-N 3.31Å; S265-M267 PolarHBondContact O-N 2.97Å; M267-I269 PolarHBondContact O-N 3.05Å; M267-L270 PolarHBondContact O-N 2.95Å; M267-L313 HydrophobicContact CE-CD1 4.16Å; M267-L313 HydrophobicContact SD-CD1 3.5Å; M267-L313 VanDerWaalsContact SD-CD1 3.5Å |
| 268 | E | 89.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -26.4 | -179.2 | -163.6 | 54.4 | -145.7 | 0 | 0 | 112.4 | G223 I226 Q227 D264 S265 V266 L270 F271 E272 R319 | G223-E268 VanDerWaalsContact CA-OE2 3.31Å; G223-E268 WeakPolarHBondContact CA-OE2 3.27Å; I226-E268 HydrophobicContact CG2-CG 4.37Å; Q227-E268 HydrophobicContact CG-CG 4.02Å; Q227-E268 PolarHBondContact NE2-OE1 2.94Å; D264-E268 PolarHBondContact O-N 3.19Å; S265-E268 PolarHBondContact O-N 2.7Å; V266-E268 VanDerWaalsContact C-N 3.31Å; E268-L270 PolarHBondContact O-N 3.44Å; E268-F271 CarbonylContact O-C 3.51Å; E268-F271 PolarHBondContact O-N 3.4Å; E268-E272 WeakPolarHBondContact O-CB 3.42Å; E268-E272 PolarHBondContact O-N 3.32Å; E268-R319 IonicContact OE1-CZ 2.79Å; E268-R319 IonicContact OE1-NH1 3.39Å; E268-R319 IonicContact OE1-NH2 3.76Å; E268-R319 PolarHBondContact OE1-NH2 3.37Å; E268-R319 IonicContact OE2-CZ 3.74Å; E268-R319 IonicContact OE2-NH1 3.28Å; E268-R319 PolarHBondContact OE2-NH1 3.4Å; E268-R319 IonicContact OE2-NH2 2.68Å; E268-R319 PolarHBondContact OE2-NH2 2.97Å |
| 269 | I | 88.8 | Confident | 84.5 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.8 | 178.7 | 76.6 | -175.1 | 0 | 0 | 0 | 113.5 | A170 I171 E174 V266 M267 | A170-I269 HydrophobicContact CB-CD1 4.43Å; I171-I269 HydrophobicContact CG1-CD1 4.07Å; E174-I269 HydrophobicContact CB-CD1 3.99Å; E174-I269 HydrophobicContact CG-CD1 3.61Å; E174-I269 HydrophobicContact CG-CG2 4.09Å; V266-I269 WeakPolarHBondContact O-CD1 3.46Å; V266-I269 VanDerWaalsContact O-CG1 3.24Å; V266-I269 WeakPolarHBondContact O-CG1 3.4Å; M267-I269 PolarHBondContact O-N 3.05Å |
| 270 | L | 89.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -28.6 | 178.7 | -67.3 | 173.8 | 0 | 0 | 0 | 112.1 | L166 I171 M267 E268 V280 T310 F316 | L166-L270 HydrophobicContact CB-CD2 4.35Å; I171-L270 HydrophobicContact CD1-CD1 4.01Å; I171-L270 HydrophobicContact CD1-CD2 4.34Å; I171-L270 HydrophobicContact CD1-CG 4.41Å; I171-L270 HydrophobicContact CG1-CD2 4.47Å; M267-L270 PolarHBondContact O-N 2.95Å; E268-L270 PolarHBondContact O-N 3.44Å; L270-V280 HydrophobicContact CB-CG2 4.15Å; L270-V280 HydrophobicContact CD2-CG2 4.16Å; L270-V280 VanDerWaalsContact O-CB 3.23Å; L270-V280 WeakPolarHBondContact O-CB 3.25Å; L270-V280 WeakPolarHBondContact O-CG2 3.24Å; L270-V280 PolarHBondContact O-N 3.49Å; L270-V280 VanDerWaalsContact O-N 3.13Å; L270-T310 HydrophobicContact CD1-CG2 4Å; L270-F316 HydrophobicContact CD1-CE2 4.17Å |
| 271 | F | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -11.3 | -173.7 | -60.5 | -77.4 | 0 | 0 | 0 | 112.8 | V217 E268 Q273 F316 R319 L320 E323 | V217-F271 HydrophobicContact CG1-CE2 3.8Å; V217-F271 HydrophobicContact CG1-CZ 4.45Å; E268-F271 CarbonylContact O-C 3.51Å; E268-F271 PolarHBondContact O-N 3.4Å; F271-Q273 PolarHBondContact O-N 3.2Å; F271-F316 HydrophobicContact CE2-CD2 4.33Å; F271-F316 HydrophobicContact CE2-CE2 4.25Å; F271-F316 AromaticContact CZ-CD2 3.95Å; F271-F316 HydrophobicContact CZ-CD2 3.95Å; F271-F316 AromaticContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CZ 4.43Å; F271-R319 HydrophobicContact CD1-CG 4.15Å; F271-R319 HydrophobicContact CD2-CG 3.91Å; F271-R319 HydrophobicContact CE1-CG 3.93Å; F271-R319 HydrophobicContact CE2-CB 4.47Å; F271-R319 HydrophobicContact CE2-CG 3.68Å; F271-R319 HydrophobicContact CG-CG 4.14Å; F271-R319 HydrophobicContact CZ-CB 4.24Å; F271-R319 HydrophobicContact CZ-CG 3.69Å; F271-L320 HydrophobicContact CE1-CB 4.26Å; F271-L320 HydrophobicContact CE1-CD1 4.15Å; F271-E323 HydrophobicContact CD1-CB 4.44Å; F271-E323 HydrophobicContact CD1-CG 4.24Å |
| 272 | E | 86.5 | Confident | 85.7 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 16% | 0.159 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -59 | 131.1 | 168.4 | -169 | 162.1 | -175.7 | 0 | 0 | 109.5 | K230 F231 E268 | K230-E272 IonicContact NZ-OE2 3.66Å; K230-E272 PolarHBondContact NZ-OE2 3.43Å; F231-E272 WeakPolarHBondContact CE2-OE1 3.42Å; F231-E272 WeakPolarHBondContact CZ-OE1 3.44Å; E268-E272 WeakPolarHBondContact O-CB 3.42Å; E268-E272 PolarHBondContact O-N 3.32Å |
| 273 | Q | 81 | Confident | 86 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 27% | 0.271 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -85.2 | 116.1 | 174.8 | -81.8 | 164.1 | 55.3 | 0 | 0 | 107.8 | F271 | F271-Q273 PolarHBondContact O-N 3.2Š|
| 274 | D | 76.6 | Confident | 86.4 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 48% | 0.481 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -61.3 | 173.2 | 172.7 | -74.9 | -19.3 | 0 | 0 | 0 | 111.1 | E276 E277 K278 | D274-E276 PolarHBondContact O-N 3.03Å; D274-E277 WeakPolarHBondContact O-CA 3.47Å; D274-E277 PolarHBondContact O-N 3.4Å; D274-K278 PolarHBondContact N-O 2.96Å; D274-K278 VanDerWaalsContact N-O 3.11Å |
| 275 | N | 78.1 | Confident | 86.8 | Confident | 181 Ų | 181 | 33.2 Ų | 33.2 | 97% | 0.968 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -19.6 | 172.5 | -67.5 | -23.2 | 0 | 0 | 0 | 113.6 | ||
| 276 | E | 77.4 | Confident | 87.1 | Confident | 133 Ų | 133 | 33.3 Ų | 33.3 | 62% | 0.621 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9 | 175.1 | -59.9 | -171.1 | 175.5 | 0 | 0 | 113.9 | D274 K278 | D274-E276 PolarHBondContact O-N 3.03Å; E276-K278 HydrophobicContact CB-CD 4.07Å; E276-K278 HydrophobicContact CB-CG 4.15Å; E276-K278 PolarHBondContact O-N 3.32Å; E276-K278 WeakPolarHBondContact OE2-CD 3.33Å; E276-K278 VanDerWaalsContact OE2-CE 3.28Å; E276-K278 WeakPolarHBondContact OE2-CE 3.33Å; E276-K278 IonicContact OE2-NZ 2.85Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å |
| 277 | E | 80.4 | Confident | 87.1 | Confident | 93 Ų | 93 | 33.3 Ų | 33.3 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | trans | 57.1 | 25.4 | -172.2 | -53.3 | -177.6 | 152.7 | 0 | 0 | 114 | D274 T282 K332 | D274-E277 WeakPolarHBondContact O-CA 3.47Å; D274-E277 PolarHBondContact O-N 3.4Å; E277-T282 WeakPolarHBondContact O-CG2 3.29Å; E277-T282 PolarHBondContact O-OG1 2.78Å; E277-K332 IonicContact OE2-NZ 3.22Å; E277-K332 PolarHBondContact OE2-NZ 2.75Å | ||
| 278 | K | 85.7 | Confident | 87.1 | Confident | 69 Ų | 69 | 33.2 Ų | 33.2 | 30% | 0.3 | 16% | 0.164 | S | C | . | . | trans | -93.7 | 134.7 | -180 | -71.6 | 175.2 | -179.5 | 168.3 | 0 | 110.2 | L164 D274 E276 T282 | L164-K278 HydrophobicContact CD1-CB 4.46Å; L164-K278 HydrophobicContact CD2-CB 4.17Å; L164-K278 HydrophobicContact CD2-CD 4Å; D274-K278 PolarHBondContact N-O 2.96Å; D274-K278 VanDerWaalsContact N-O 3.11Å; E276-K278 HydrophobicContact CB-CD 4.07Å; E276-K278 HydrophobicContact CB-CG 4.15Å; E276-K278 PolarHBondContact O-N 3.32Å; E276-K278 WeakPolarHBondContact OE2-CD 3.33Å; E276-K278 VanDerWaalsContact OE2-CE 3.28Å; E276-K278 WeakPolarHBondContact OE2-CE 3.33Å; E276-K278 IonicContact OE2-NZ 2.85Å; E276-K278 PolarHBondContact OE2-NZ 2.92Å; K278-T282 WeakPolarHBondContact CA-OG1 3.29Å | ||
| 279 | S | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -153.8 | 167.8 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 107.3 | L164 A281 T282 L283 | L164-S279 WeakPolarHBondContact CD1-O 3.4Å; S279-A281 PolarHBondContact O-N 2.9Å; S279-A281 PolarHBondContact OG-N 3.25Å; S279-T282 PolarHBondContact N-OG1 3.46Å; S279-T282 PolarHBondContact O-N 2.89Å; S279-T282 PolarHBondContact O-OG1 3.23Å; S279-T282 PolarHBondContact OG-N 2.86Å; S279-T282 PolarHBondContact OG-OG1 3.45Å; S279-L283 PolarHBondContact O-N 2.84Å | ||
| 280 | V | 91.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -33.9 | 176.5 | 172 | 0 | 0 | 0 | 0 | 112 | M139 T146 L166 L270 L283 F316 L320 | M139-V280 HydrophobicContact CE-CB 4.32Å; M139-V280 HydrophobicContact CE-CG1 2.95Å; T146-V280 HydrophobicContact CG2-CG1 4.46Å; L166-V280 HydrophobicContact CB-CG2 4.23Å; L166-V280 HydrophobicContact CD1-CG2 4.26Å; L270-V280 HydrophobicContact CB-CG2 4.15Å; L270-V280 HydrophobicContact CD2-CG2 4.16Å; L270-V280 VanDerWaalsContact O-CB 3.23Å; L270-V280 WeakPolarHBondContact O-CB 3.25Å; L270-V280 WeakPolarHBondContact O-CG2 3.24Å; L270-V280 PolarHBondContact O-N 3.49Å; L270-V280 VanDerWaalsContact O-N 3.13Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; V280-F316 HydrophobicContact CG1-CZ 4.34Å; V280-L320 HydrophobicContact CG1-CD1 4.4Å |
| 281 | A | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79.1 | -39.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S279 L283 I284 L320 E323 I324 L327 | S279-A281 PolarHBondContact O-N 2.9Å; S279-A281 PolarHBondContact OG-N 3.25Å; A281-L283 PolarHBondContact O-N 3.26Å; A281-I284 PolarHBondContact O-N 3.37Å; A281-L320 HydrophobicContact CB-CD1 4.06Å; A281-E323 HydrophobicContact CB-CB 3.82Å; A281-E323 HydrophobicContact CB-CG 3.69Å; A281-I324 HydrophobicContact CB-CG1 4.3Å; A281-L327 HydrophobicContact CB-CD1 3.63Å |
| 282 | T | 91.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -25.3 | 175.7 | 46 | 0 | 0 | 0 | 0 | 112 | E277 K278 S279 I284 L285 D286 L327 | E277-T282 WeakPolarHBondContact O-CG2 3.29Å; E277-T282 PolarHBondContact O-OG1 2.78Å; K278-T282 WeakPolarHBondContact CA-OG1 3.29Å; S279-T282 PolarHBondContact N-OG1 3.46Å; S279-T282 PolarHBondContact O-N 2.89Å; S279-T282 PolarHBondContact O-OG1 3.23Å; S279-T282 PolarHBondContact OG-N 2.86Å; S279-T282 PolarHBondContact OG-OG1 3.45Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.37Å; T282-L285 PolarHBondContact O-N 3.41Å; T282-D286 WeakPolarHBondContact O-CB 3.47Å; T282-D286 PolarHBondContact O-N 3.49Å; T282-L327 HydrophobicContact CG2-CD1 3.52Å; T282-L327 HydrophobicContact CG2-CD2 3.78Å; T282-L327 HydrophobicContact CG2-CG 4.26Å |
| 283 | L | 91.8 | Very high | 86.3 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -44.6 | 175.9 | -162 | 64.5 | 0 | 0 | 0 | 113.3 | T146 V148 E162 L164 S279 V280 A281 D286 A287 | T146-L283 HydrophobicContact CG2-CD2 4.03Å; V148-L283 HydrophobicContact CB-CD2 4.34Å; V148-L283 HydrophobicContact CB-CG 4.26Å; V148-L283 HydrophobicContact CG2-CB 4.28Å; V148-L283 HydrophobicContact CG2-CD2 3.67Å; V148-L283 HydrophobicContact CG2-CG 3.79Å; E162-L283 HydrophobicContact CB-CD1 3.39Å; E162-L283 HydrophobicContact CB-CG 3.95Å; E162-L283 HydrophobicContact CG-CD1 4.42Å; L164-L283 HydrophobicContact CD1-CB 4.18Å; L164-L283 HydrophobicContact CD1-CD1 3.86Å; L164-L283 HydrophobicContact CD1-CD2 4.18Å; L164-L283 HydrophobicContact CD1-CG 4.33Å; L164-L283 HydrophobicContact CD2-CD1 4.43Å; L164-L283 HydrophobicContact CG-CD1 3.69Å; L164-L283 HydrophobicContact CG-CD2 4.13Å; L164-L283 HydrophobicContact CG-CG 4.44Å; S279-L283 PolarHBondContact O-N 2.84Å; V280-L283 WeakPolarHBondContact O-CB 3.39Å; A281-L283 PolarHBondContact O-N 3.26Å; L283-D286 PolarHBondContact O-N 3.48Å; L283-A287 WeakPolarHBondContact O-CB 3.2Å; L283-A287 PolarHBondContact O-N 3.27Å |
| 284 | I | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -46.8 | 177.1 | -67 | 166 | 0 | 0 | 0 | 110.1 | L137 M139 V148 A281 T282 L288 L304 L320 I324 | L137-I284 HydrophobicContact CD2-CB 4.28Å; L137-I284 HydrophobicContact CD2-CG2 3.37Å; M139-I284 HydrophobicContact CE-CD1 4.43Å; M139-I284 HydrophobicContact SD-CD1 3.75Å; M139-I284 HydrophobicContact SD-CG1 4.24Å; V148-I284 HydrophobicContact CG2-CG1 4.12Å; A281-I284 PolarHBondContact O-N 3.37Å; T282-I284 VanDerWaalsContact C-N 3.34Å; T282-I284 PolarHBondContact O-N 3.37Å; I284-L288 HydrophobicContact CG2-CD1 4.31Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 2.8Å; I284-L304 HydrophobicContact CD1-CD1 4.29Å; I284-L304 HydrophobicContact CD1-CD2 4.17Å; I284-L304 HydrophobicContact CG2-CD1 4.44Å; I284-L320 HydrophobicContact CD1-CD1 4.08Å; I284-L320 HydrophobicContact CD1-CD2 4.32Å; I284-L320 HydrophobicContact CD1-CG 4.48Å; I284-I324 HydrophobicContact CD1-CD1 3.66Å; I284-I324 HydrophobicContact CD1-CG1 4.4Å |
| 285 | L | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.5 | -39.3 | -177.4 | -63.9 | 177.1 | 0 | 0 | 0 | 111.8 | T282 L288 V289 I324 L327 V328 Y333 L337 F342 | T282-L285 PolarHBondContact O-N 3.41Å; L285-L288 PolarHBondContact O-N 3.38Å; L285-V289 VanDerWaalsContact O-CB 3.29Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 WeakPolarHBondContact O-CG2 3.42Å; L285-V289 PolarHBondContact O-N 3.48Å; L285-I324 HydrophobicContact CD2-CG2 4.35Å; L285-L327 HydrophobicContact CD1-CB 3.37Å; L285-L327 HydrophobicContact CD1-CD1 4.12Å; L285-L327 HydrophobicContact CD1-CG 4.39Å; L285-V328 HydrophobicContact CD1-CG2 4.26Å; L285-V328 HydrophobicContact CD2-CG2 3.72Å; L285-Y333 HydrophobicContact CB-CD1 3.9Å; L285-Y333 HydrophobicContact CB-CE1 3.63Å; L285-Y333 HydrophobicContact CD1-CD1 4.38Å; L285-Y333 HydrophobicContact CD1-CD2 4.13Å; L285-Y333 HydrophobicContact CD1-CE1 4.45Å; L285-Y333 HydrophobicContact CD1-CE2 4.2Å; L285-Y333 HydrophobicContact CD1-CG 4.22Å; L285-L337 HydrophobicContact CD2-CD1 4.04Å; L285-F342 HydrophobicContact CD2-CE1 4.21Å; L285-F342 HydrophobicContact CD2-CE2 4.49Å; L285-F342 HydrophobicContact CD2-CZ 3.69Å |
| 286 | D | 89.9 | Confident | 87.8 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 179 | -79.3 | -1.5 | 0 | 0 | 0 | 111.3 | T282 L283 L288 V289 K290 Y333 | T282-D286 WeakPolarHBondContact O-CB 3.47Å; T282-D286 PolarHBondContact O-N 3.49Å; L283-D286 PolarHBondContact O-N 3.48Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.46Å; D286-V289 PolarHBondContact O-N 2.9Å; D286-K290 HydrophobicContact CB-CD 4.16Å; D286-K290 VanDerWaalsContact CG-CE 3.41Å; D286-K290 VanDerWaalsContact O-CB 3.28Å; D286-K290 WeakPolarHBondContact O-CB 3.25Å; D286-K290 PolarHBondContact O-N 3.22Å; D286-K290 IonicContact OD1-NZ 3.92Å; D286-K290 WeakPolarHBondContact OD2-CE 3.29Å; D286-K290 IonicContact OD2-NZ 3.27Å; D286-K290 PolarHBondContact OD2-NZ 3.08Å; D286-Y333 WeakPolarHBondContact OD1-CE1 3.29Å; D286-Y333 PolarHBondContact OD1-OH 3.27Å |
| 287 | A | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -57.9 | -43.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V148 E162 L283 C292 | V148-A287 HydrophobicContact CG1-CB 3.77Å; E162-A287 HydrophobicContact CB-CB 4.37Å; E162-A287 HydrophobicContact CG-CB 3.94Å; L283-A287 WeakPolarHBondContact O-CB 3.2Å; L283-A287 PolarHBondContact O-N 3.27Å; A287-C292 PolarHBondContact O-N 2.85Å; A287-C292 PolarHBondContact O-SG 2.93Å |
| 288 | L | 87.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -70 | -43.9 | 178.5 | -72 | 174 | 0 | 0 | 0 | 113.4 | L137 I284 L285 D286 C292 R297 L300 F342 | L137-L288 HydrophobicContact CD1-CD2 4.38Å; L137-L288 HydrophobicContact CD2-CD1 3.83Å; L137-L288 HydrophobicContact CD2-CD2 4.01Å; L137-L288 HydrophobicContact CD2-CG 3.79Å; I284-L288 HydrophobicContact CG2-CD1 4.31Å; I284-L288 WeakPolarHBondContact O-CG 3.28Å; I284-L288 PolarHBondContact O-N 2.8Å; L285-L288 PolarHBondContact O-N 3.38Å; D286-L288 VanDerWaalsContact C-N 3.31Å; D286-L288 PolarHBondContact O-N 3.46Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; L288-R297 PolarHBondContact O-NE 2.82Å; L288-L300 HydrophobicContact CD2-CB 3.6Å; L288-L300 HydrophobicContact CD2-CD1 4.11Å; L288-F342 HydrophobicContact CD1-CE1 3.86Å; L288-F342 HydrophobicContact CD1-CZ 4.37Å |
| 289 | V | 85.9 | Confident | 89 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -86.1 | -43.3 | -169.4 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | L285 D286 R297 Y333 V336 L337 | L285-V289 VanDerWaalsContact O-CB 3.29Å; L285-V289 WeakPolarHBondContact O-CB 3.41Å; L285-V289 WeakPolarHBondContact O-CG2 3.42Å; L285-V289 PolarHBondContact O-N 3.48Å; D286-V289 PolarHBondContact O-N 2.9Å; V289-R297 PolarHBondContact O-NH2 3.28Å; V289-Y333 HydrophobicContact CB-CD1 4.49Å; V289-Y333 HydrophobicContact CG2-CD1 4.04Å; V289-V336 HydrophobicContact CG1-CB 4.1Å; V289-V336 HydrophobicContact CG1-CG1 3.82Å; V289-V336 HydrophobicContact CG1-CG2 4.31Å; V289-V336 HydrophobicContact CG2-CG1 4.44Å; V289-L337 HydrophobicContact CG2-CD1 4.14Å; V289-L337 HydrophobicContact CG2-CD2 3.72Å; V289-L337 HydrophobicContact CG2-CG 3.79Å |
| 290 | K | 83 | Confident | 89 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -80.2 | -41.8 | -174.4 | -61.7 | 178.2 | -171.1 | 164.4 | 0 | 111.7 | D286 | D286-K290 HydrophobicContact CB-CD 4.16Å; D286-K290 VanDerWaalsContact CG-CE 3.41Å; D286-K290 VanDerWaalsContact O-CB 3.28Å; D286-K290 WeakPolarHBondContact O-CB 3.25Å; D286-K290 PolarHBondContact O-N 3.22Å; D286-K290 IonicContact OD1-NZ 3.92Å; D286-K290 WeakPolarHBondContact OD2-CE 3.29Å; D286-K290 IonicContact OD2-NZ 3.27Å; D286-K290 PolarHBondContact OD2-NZ 3.08Å |
| 291 | Q | 83.4 | Confident | 88.9 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -114.2 | -26.5 | -163.3 | -49.2 | -170.9 | 8.3 | 0 | 0 | 113.8 | P159 A160 W161 E162 | P159-Q291 VanDerWaalsContact C-OE1 3.25Å; P159-Q291 PolarHBondContact O-OE1 3.14Å; A160-Q291 VanDerWaalsContact CA-CB 3.44Å; A160-Q291 HydrophobicContact CB-CB 3.67Å; W161-Q291 PolarHBondContact O-NE2 3.12Å; W161-Q291 PolarHBondContact O-OE1 3.23Å; W161-Q291 VanDerWaalsContact O-OE1 3.1Å; E162-Q291 PolarHBondContact OE1-NE2 3.42Å |
| 292 | C | 87.1 | Confident | 88.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -80.2 | 140 | 179.3 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | A287 L288 R297 L300 | A287-C292 PolarHBondContact O-N 2.85Å; A287-C292 PolarHBondContact O-SG 2.93Å; L288-C292 WeakPolarHBondContact O-CB 3.49Å; C292-R297 HydrophobicContact CB-CG 4.19Å; C292-R297 VanDerWaalsContact O-CZ 3.31Å; C292-R297 PolarHBondContact O-NE 2.92Å; C292-R297 PolarHBondContact O-NH2 2.86Å; C292-L300 HydrophobicContact CB-CD1 4.42Å |
| 293 | P | 89 | Confident | 88.9 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 47% | 0.468 | 21% | 0.211 | S | C | . | . | trans | -61.7 | 149.7 | 170.4 | -21 | 31.9 | 0 | 0 | 0 | 113.1 | D295 T296 R297 | P293-D295 VanDerWaalsContact C-N 3.31Å; P293-D295 PolarHBondContact O-N 2.85Å; P293-T296 HydrophobicContact CB-CG2 4.43Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 VanDerWaalsContact O-N 3.13Å; P293-T296 PolarHBondContact O-OG1 3.37Å; P293-R297 WeakPolarHBondContact O-CG 3.21Å; P293-R297 PolarHBondContact O-N 3.16Å | ||
| 294 | I | 86.8 | Confident | 89 | Confident | 132 Ų | 132 | 41.6 Ų | 41.6 | 68% | 0.677 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -54.3 | -43.5 | -172.7 | -60.4 | 171.3 | 0 | 0 | 0 | 112.4 | T296 R297 | I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.85Å; I294-R297 PolarHBondContact O-N 2.84Å |
| 295 | D | 89.3 | Confident | 89.1 | Confident | 139 Ų | 139 | 41.6 Ų | 41.6 | 74% | 0.743 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66.4 | -32.3 | -175.6 | -57.9 | -39.2 | 0 | 0 | 0 | 112.9 | P293 | P293-D295 VanDerWaalsContact C-N 3.31Å; P293-D295 PolarHBondContact O-N 2.85Å |
| 296 | T | 89.7 | Confident | 89.3 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.9 | -26.7 | -176.8 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | Y152 I157 P293 I294 K298 V299 L300 | Y152-T296 HydrophobicContact CD1-CG2 4.17Å; Y152-T296 HydrophobicContact CD2-CG2 3.83Å; Y152-T296 HydrophobicContact CE1-CG2 4.36Å; Y152-T296 HydrophobicContact CE2-CG2 4.03Å; Y152-T296 HydrophobicContact CG-CG2 3.9Å; I157-T296 HydrophobicContact CD1-CG2 4.37Å; P293-T296 HydrophobicContact CB-CG2 4.43Å; P293-T296 PolarHBondContact O-N 3.17Å; P293-T296 VanDerWaalsContact O-N 3.13Å; P293-T296 PolarHBondContact O-OG1 3.37Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 2.85Å; T296-K298 VanDerWaalsContact C-N 3.33Å; T296-K298 PolarHBondContact O-N 2.92Å; T296-V299 PolarHBondContact O-N 3.04Å; T296-L300 VanDerWaalsContact O-CG 3.29Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.22Å |
| 297 | R | 89.2 | Confident | 89.5 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | -169.6 | -69.7 | 172.2 | -169.8 | -175 | -6 | 113.4 | L288 V289 C292 P293 I294 S301 | L288-R297 PolarHBondContact O-NE 2.82Å; V289-R297 PolarHBondContact O-NH2 3.28Å; C292-R297 HydrophobicContact CB-CG 4.19Å; C292-R297 VanDerWaalsContact O-CZ 3.31Å; C292-R297 PolarHBondContact O-NE 2.92Å; C292-R297 PolarHBondContact O-NH2 2.86Å; P293-R297 WeakPolarHBondContact O-CG 3.21Å; P293-R297 PolarHBondContact O-N 3.16Å; I294-R297 PolarHBondContact O-N 2.84Å; R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 PolarHBondContact O-OG 3.24Å |
| 298 | K | 88.9 | Confident | 89.6 | Confident | 125 Ų | 125 | 41.7 Ų | 41.7 | 54% | 0.543 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.2 | -46.4 | -179 | -177.2 | -174.1 | 175.1 | -171.3 | 0 | 111.6 | T296 S301 E302 | T296-K298 VanDerWaalsContact C-N 3.33Å; T296-K298 PolarHBondContact O-N 2.92Å; K298-S301 PolarHBondContact O-OG 3.39Å; K298-S301 VanDerWaalsContact O-OG 3.08Å; K298-E302 VanDerWaalsContact CE-OE1 3.23Å; K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.84Å |
| 299 | V | 90.8 | Very high | 89.6 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 30% | 0.303 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68 | -40.8 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | T296 E302 N303 | T296-V299 PolarHBondContact O-N 3.04Å; V299-E302 PolarHBondContact O-N 3.49Å; V299-N303 PolarHBondContact O-N 3.23Å |
| 300 | L | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | 179 | -66.4 | 172.2 | 0 | 0 | 0 | 112.8 | L137 P150 I151 I157 L288 C292 T296 N303 | L137-L300 HydrophobicContact CB-CB 4.41Å; P150-L300 HydrophobicContact CB-CD1 3.73Å; P150-L300 HydrophobicContact CB-CD2 4.12Å; I151-L300 VanDerWaalsContact O-CD2 3.24Å; I151-L300 WeakPolarHBondContact O-CD2 3.25Å; I157-L300 HydrophobicContact CD1-CD1 4.49Å; L288-L300 HydrophobicContact CD2-CB 3.6Å; L288-L300 HydrophobicContact CD2-CD1 4.11Å; C292-L300 HydrophobicContact CB-CD1 4.42Å; T296-L300 VanDerWaalsContact O-CG 3.29Å; T296-L300 WeakPolarHBondContact O-CG 3.32Å; T296-L300 PolarHBondContact O-N 3.22Å; L300-N303 CarbonylContact O-C 3.48Å; L300-N303 PolarHBondContact O-N 3.39Å |
| 301 | S | 88.4 | Confident | 90.3 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.6 | -35.6 | 177 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | R297 K298 N303 N341 F342 | R297-S301 WeakPolarHBondContact O-CB 3.33Å; R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 PolarHBondContact O-OG 3.24Å; K298-S301 PolarHBondContact O-OG 3.39Å; K298-S301 VanDerWaalsContact O-OG 3.08Å; S301-N303 VanDerWaalsContact C-N 3.25Å; S301-N303 PolarHBondContact O-N 3.33Å; S301-N341 CarbonylContact C-O 3.47Å; S301-F342 WeakPolarHBondContact O-CA 3.33Å |
| 302 | E | 90.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 24% | 0.243 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.9 | -24.3 | 175.2 | -73.5 | 176.6 | -168.1 | 0 | 0 | 112.8 | K298 V299 R343 | K298-E302 VanDerWaalsContact CE-OE1 3.23Å; K298-E302 WeakPolarHBondContact CE-OE1 3.34Å; K298-E302 WeakPolarHBondContact O-CG 3.32Å; K298-E302 PolarHBondContact O-N 2.84Å; V299-E302 PolarHBondContact O-N 3.49Å; E302-R343 WeakPolarHBondContact O-CB 3.36Å |
| 303 | N | 92.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 40 Ų | 40 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | trans | -120.3 | 79.4 | -176.8 | -64.4 | -26.8 | 0 | 0 | 0 | 111.4 | I133 S135 A136 L137 V299 L300 S301 H345 | I133-N303 HydrophobicContact CD1-CB 4.45Å; S135-N303 WeakPolarHBondContact O-CB 3.28Å; S135-N303 PolarHBondContact O-ND2 2.82Å; A136-N303 CarbonylContact C-O 3.55Å; A136-N303 VanDerWaalsContact CA-O 3.29Å; A136-N303 WeakPolarHBondContact CA-O 3.42Å; A136-N303 HydrophobicContact CB-CB 4.2Å; L137-N303 PolarHBondContact N-O 3.2Å; V299-N303 PolarHBondContact O-N 3.23Å; L300-N303 CarbonylContact O-C 3.48Å; L300-N303 PolarHBondContact O-N 3.39Å; S301-N303 VanDerWaalsContact C-N 3.25Å; S301-N303 PolarHBondContact O-N 3.33Å; N303-H345 PolarHBondContact OD1-NE2 3.21Å | ||
| 304 | L | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.1 | 173.1 | -179 | 59.8 | 0 | 0 | 0 | 110.5 | L137 I284 V306 I324 R343 I344 H345 | L137-L304 HydrophobicContact CB-CD1 4.19Å; L137-L304 HydrophobicContact CD2-CD1 4.05Å; L137-L304 HydrophobicContact CG-CD1 4.15Å; I284-L304 HydrophobicContact CD1-CD1 4.29Å; I284-L304 HydrophobicContact CD1-CD2 4.17Å; I284-L304 HydrophobicContact CG2-CD1 4.44Å; L304-V306 HydrophobicContact CG-CG2 4.29Å; L304-I324 HydrophobicContact CD2-CD1 3.93Å; L304-R343 WeakPolarHBondContact CB-O 3.23Å; L304-R343 PolarHBondContact N-O 2.97Å; L304-I344 HydrophobicContact CB-CG1 4.36Å; L304-I344 HydrophobicContact CD2-CD1 4.42Å; L304-I344 HydrophobicContact CD2-CG1 3.92Å; L304-I344 HydrophobicContact CG-CG1 4.26Å; L304-I344 WeakPolarHBondContact O-CA 3.36Å; L304-H345 PolarHBondContact O-N 2.91Å |
| 305 | V | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.5 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | L131 I133 A136 L137 V138 M139 I307 | L131-V305 HydrophobicContact CD1-CB 4.37Å; L131-V305 HydrophobicContact CD1-CG1 3.94Å; L131-V305 HydrophobicContact CD1-CG2 3.44Å; L131-V305 VanDerWaalsContact CD1-CG2 3.44Å; I133-V305 HydrophobicContact CD1-CG2 4.15Å; A136-V305 HydrophobicContact CB-CG2 3.94Å; L137-V305 PolarHBondContact O-N 2.69Å; V138-V305 CarbonylContact C-O 3.57Å; V138-V305 WeakPolarHBondContact CA-O 3.5Å; V138-V305 HydrophobicContact CG2-CB 4.32Å; M139-V305 PolarHBondContact N-O 2.68Å; V305-I307 HydrophobicContact CG1-CG2 4.04Å |
| 306 | V | 94.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121 | -179.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | M139 L304 A311 F316 L317 L320 I344 | M139-V306 HydrophobicContact SD-CG1 4.2Å; M139-V306 HydrophobicContact SD-CG2 4.28Å; L304-V306 HydrophobicContact CG-CG2 4.29Å; V306-A311 HydrophobicContact CG1-CB 3.66Å; V306-F316 HydrophobicContact CG1-CE1 4.02Å; V306-L317 HydrophobicContact CB-CD2 3.95Å; V306-L317 HydrophobicContact CG1-CD2 4.04Å; V306-L317 HydrophobicContact CG2-CD2 4.14Å; V306-L320 HydrophobicContact CG2-CD2 3.92Å; V306-I344 HydrophobicContact CG2-CG2 4.34Å |
| 307 | I | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 173.7 | 178 | 69.2 | 178.7 | 0 | 0 | 0 | 110.7 | A127 V138 M139 D140 C141 V305 T354 | A127-I307 HydrophobicContact CB-CD1 3.71Å; A127-I307 HydrophobicContact CB-CG2 3.85Å; V138-I307 HydrophobicContact CG1-CD1 3.78Å; V138-I307 HydrophobicContact CG1-CG1 4.1Å; M139-I307 PolarHBondContact O-N 3.39Å; D140-I307 HydrophobicContact CB-CD1 3.93Å; D140-I307 HydrophobicContact CB-CG1 3.66Å; C141-I307 PolarHBondContact N-O 3.5Å; V305-I307 HydrophobicContact CG1-CG2 4.04Å; I307-T354 HydrophobicContact CG2-CG2 3.92Å |
| 308 | G | 90.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 107.2 | 170 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D140 C141 P351 N352 | D140-G308 WeakPolarHBondContact OD1-CA 3.44Å; C141-G308 CarbonylContact O-C 3.53Å; C141-G308 WeakPolarHBondContact O-CA 3.48Å; G308-P351 PolarHBondContact N-O 3.22Å; G308-P351 VanDerWaalsContact N-O 3.13Å; G308-N352 PolarHBondContact O-N 3.02Å |
| 309 | G | 89.1 | Confident | 91.7 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -71.5 | -40.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C141 A311 M312 | C141-G309 PolarHBondContact O-N 2.96Å; G309-A311 VanDerWaalsContact C-N 3.27Å; G309-A311 PolarHBondContact O-N 3.49Å; G309-M312 WeakPolarHBondContact O-CB 3.42Å; G309-M312 PolarHBondContact O-N 2.98Å |
| 310 | T | 91.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -69.1 | -28.6 | -177.1 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | C141 G142 I171 L270 M312 L313 | C141-T310 PolarHBondContact O-N 3.14Å; C141-T310 PolarHBondContact O-OG1 3.25Å; G142-T310 PolarHBondContact O-OG1 2.95Å; I171-T310 HydrophobicContact CD1-CG2 3.71Å; L270-T310 HydrophobicContact CD1-CG2 4Å; T310-M312 PolarHBondContact O-N 3.32Å; T310-M312 VanDerWaalsContact O-N 3.15Å; T310-L313 HydrophobicContact CG2-CD1 3.88Å; T310-L313 WeakPolarHBondContact O-CB 3.48Å; T310-L313 WeakPolarHBondContact O-CD1 3.44Å; T310-L313 VanDerWaalsContact O-CG 3.28Å; T310-L313 WeakPolarHBondContact O-CG 3.44Å; T310-L313 PolarHBondContact O-N 3.18Å |
| 311 | A | 90.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -67.2 | -11.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | V306 G309 L313 F316 P351 | V306-A311 HydrophobicContact CG1-CB 3.66Å; G309-A311 VanDerWaalsContact C-N 3.27Å; G309-A311 PolarHBondContact O-N 3.49Å; A311-L313 PolarHBondContact O-N 3.36Å; A311-F316 HydrophobicContact CB-CD1 4.07Å; A311-F316 HydrophobicContact CB-CE1 4.07Å; A311-P351 HydrophobicContact CB-CB 4.26Å |
| 312 | M | 90.9 | Very high | 92.1 | Very high | 96 Ų | 96 | 29.5 Ų | 29.5 | 47% | 0.473 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -77.3 | -8.8 | 175.1 | -65.5 | -172.9 | 60.2 | 0 | 0 | 113.5 | G309 T310 K350 P351 N352 | G309-M312 WeakPolarHBondContact O-CB 3.42Å; G309-M312 PolarHBondContact O-N 2.98Å; T310-M312 PolarHBondContact O-N 3.32Å; T310-M312 VanDerWaalsContact O-N 3.15Å; M312-K350 HydrophobicContact CE-CB 4.32Å; M312-P351 HydrophobicContact CG-CB 4.25Å; M312-P351 HydrophobicContact CG-CG 4.36Å; M312-N352 HydrophobicContact CG-CB 4.35Å; M312-N352 HydrophobicContact SD-CB 3.39Å; M312-N352 WeakPolarHBondContact SD-CB 3.18Å |
| 313 | L | 90.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 27.1 Ų | 27.1 | 11% | 0.11 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -61.9 | 140.2 | 178.8 | -70.7 | 168.4 | 0 | 0 | 0 | 111.4 | V217 M267 T310 A311 G315 F316 | V217-L313 HydrophobicContact CG2-CB 3.91Å; V217-L313 HydrophobicContact CG2-CD1 4.39Å; M267-L313 HydrophobicContact CE-CD1 4.16Å; M267-L313 HydrophobicContact SD-CD1 3.5Å; M267-L313 VanDerWaalsContact SD-CD1 3.5Å; T310-L313 HydrophobicContact CG2-CD1 3.88Å; T310-L313 WeakPolarHBondContact O-CB 3.48Å; T310-L313 WeakPolarHBondContact O-CD1 3.44Å; T310-L313 VanDerWaalsContact O-CG 3.28Å; T310-L313 WeakPolarHBondContact O-CG 3.44Å; T310-L313 PolarHBondContact O-N 3.18Å; A311-L313 PolarHBondContact O-N 3.36Å; L313-G315 PolarHBondContact O-N 3.23Å; L313-F316 HydrophobicContact CB-CB 4.32Å; L313-F316 WeakPolarHBondContact O-CB 3.5Å; L313-F316 PolarHBondContact O-N 2.94Å |
| 314 | P | 90.4 | Very high | 92.1 | Very high | 76 Ų | 76 | 25.5 Ų | 25.5 | 49% | 0.494 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 131.2 | -179.2 | 27.8 | -33.1 | 0 | 0 | 0 | 110.2 | F216 V217 F316 | F216-P314 HydrophobicContact CB-CG 3.87Å; V217-P314 WeakPolarHBondContact CB-O 3.16Å; V217-P314 PolarHBondContact N-O 3.41Å; P314-F316 VanDerWaalsContact C-N 3.33Å; P314-F316 PolarHBondContact O-N 3.4Å |
| 315 | G | 89.5 | Confident | 92 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -7.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L313 L317 H318 R319 | L313-G315 PolarHBondContact O-N 3.23Å; G315-L317 PolarHBondContact O-N 3.02Å; G315-H318 PolarHBondContact O-N 3.28Å; G315-R319 PolarHBondContact O-N 3.4Å; G315-R319 VanDerWaalsContact O-N 3.08Å |
| 316 | F | 92.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | -174.3 | -176.5 | -96.3 | 0 | 0 | 0 | 113.5 | V217 L270 F271 V280 V306 A311 L313 P314 H318 R319 L320 | V217-F316 HydrophobicContact CG2-CB 4.02Å; V217-F316 HydrophobicContact CG2-CD2 4.2Å; L270-F316 HydrophobicContact CD1-CE2 4.17Å; F271-F316 HydrophobicContact CE2-CD2 4.33Å; F271-F316 HydrophobicContact CE2-CE2 4.25Å; F271-F316 AromaticContact CZ-CD2 3.95Å; F271-F316 HydrophobicContact CZ-CD2 3.95Å; F271-F316 AromaticContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CE2 3.72Å; F271-F316 HydrophobicContact CZ-CZ 4.43Å; V280-F316 HydrophobicContact CG1-CZ 4.34Å; V306-F316 HydrophobicContact CG1-CE1 4.02Å; A311-F316 HydrophobicContact CB-CD1 4.07Å; A311-F316 HydrophobicContact CB-CE1 4.07Å; L313-F316 HydrophobicContact CB-CB 4.32Å; L313-F316 WeakPolarHBondContact O-CB 3.5Å; L313-F316 PolarHBondContact O-N 2.94Å; P314-F316 VanDerWaalsContact C-N 3.33Å; P314-F316 PolarHBondContact O-N 3.4Å; F316-H318 PolarHBondContact O-N 2.96Å; F316-R319 PolarHBondContact O-N 2.89Å; F316-L320 HydrophobicContact CE1-CD2 4.08Å; F316-L320 WeakPolarHBondContact O-CB 3.46Å; F316-L320 PolarHBondContact O-N 2.9Å |
| 317 | L | 92.6 | Very high | 91.5 | Very high | 65 Ų | 65 | 35 Ų | 35 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.7 | -38.2 | -177.6 | -61.8 | 178.6 | 0 | 0 | 0 | 112.8 | V306 G315 L321 I344 | V306-L317 HydrophobicContact CB-CD2 3.95Å; V306-L317 HydrophobicContact CG1-CD2 4.04Å; V306-L317 HydrophobicContact CG2-CD2 4.14Å; G315-L317 PolarHBondContact O-N 3.02Å; L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 3.02Å; L317-I344 HydrophobicContact CD2-CG2 4.49Å |
| 318 | H | 92.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 35 Ų | 35 | 55% | 0.551 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -67.2 | -46.6 | 178.6 | -177.7 | -106.4 | 0 | 0 | 0 | 110.7 | D219 G315 F316 L321 A322 | D219-H318 IonicContact OD1-CE1 3.7Å; D219-H318 IonicContact OD1-ND1 3.33Å; D219-H318 PolarHBondContact OD1-ND1 2.95Å; G315-H318 PolarHBondContact O-N 3.28Å; F316-H318 PolarHBondContact O-N 2.96Å; H318-L321 PolarHBondContact O-N 3.27Å; H318-A322 WeakPolarHBondContact O-CB 3.28Å; H318-A322 PolarHBondContact O-N 3.07Å |
| 319 | R | 93.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 176.3 | 177.1 | 57.5 | -178.1 | -79.1 | -1 | 111.4 | V217 S218 E268 F271 G315 F316 L321 A322 E323 | V217-R319 HydrophobicContact CG1-CB 3.54Å; V217-R319 HydrophobicContact CG1-CG 3.7Å; S218-R319 VanDerWaalsContact O-CD 3.28Å; S218-R319 WeakPolarHBondContact O-CD 3.47Å; S218-R319 PolarHBondContact O-NH1 3.2Å; E268-R319 IonicContact OE1-CZ 2.79Å; E268-R319 IonicContact OE1-NH1 3.39Å; E268-R319 IonicContact OE1-NH2 3.76Å; E268-R319 PolarHBondContact OE1-NH2 3.37Å; E268-R319 IonicContact OE2-CZ 3.74Å; E268-R319 IonicContact OE2-NH1 3.28Å; E268-R319 PolarHBondContact OE2-NH1 3.4Å; E268-R319 IonicContact OE2-NH2 2.68Å; E268-R319 PolarHBondContact OE2-NH2 2.97Å; F271-R319 HydrophobicContact CD1-CG 4.15Å; F271-R319 HydrophobicContact CD2-CG 3.91Å; F271-R319 HydrophobicContact CE1-CG 3.93Å; F271-R319 HydrophobicContact CE2-CB 4.47Å; F271-R319 HydrophobicContact CE2-CG 3.68Å; F271-R319 HydrophobicContact CG-CG 4.14Å; F271-R319 HydrophobicContact CZ-CB 4.24Å; F271-R319 HydrophobicContact CZ-CG 3.69Å; G315-R319 PolarHBondContact O-N 3.4Å; G315-R319 VanDerWaalsContact O-N 3.08Å; F316-R319 PolarHBondContact O-N 2.89Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.1Å; R319-A322 PolarHBondContact O-N 3.25Å; R319-E323 IonicContact CZ-OE2 2.65Å; R319-E323 IonicContact NE-OE2 3Å; R319-E323 PolarHBondContact NE-OE2 3.27Å; R319-E323 IonicContact NH2-OE2 3.24Å; R319-E323 PolarHBondContact NH2-OE2 3.26Å; R319-E323 WeakPolarHBondContact O-CB 3.35Å; R319-E323 PolarHBondContact O-N 3.45Å |
| 320 | L | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 178.6 | -179.6 | 64.6 | 0 | 0 | 0 | 111.8 | M139 F271 V280 A281 I284 V306 F316 A322 E323 I324 | M139-L320 HydrophobicContact CE-CD1 4.38Å; M139-L320 HydrophobicContact CE-CD2 4.34Å; M139-L320 HydrophobicContact SD-CD2 3.76Å; F271-L320 HydrophobicContact CE1-CB 4.26Å; F271-L320 HydrophobicContact CE1-CD1 4.15Å; V280-L320 HydrophobicContact CG1-CD1 4.4Å; A281-L320 HydrophobicContact CB-CD1 4.06Å; I284-L320 HydrophobicContact CD1-CD1 4.08Å; I284-L320 HydrophobicContact CD1-CD2 4.32Å; I284-L320 HydrophobicContact CD1-CG 4.48Å; V306-L320 HydrophobicContact CG2-CD2 3.92Å; F316-L320 HydrophobicContact CE1-CD2 4.08Å; F316-L320 WeakPolarHBondContact O-CB 3.46Å; F316-L320 PolarHBondContact O-N 2.9Å; L320-A322 PolarHBondContact O-N 2.78Å; L320-E323 PolarHBondContact O-N 2.86Å; L320-I324 HydrophobicContact CD1-CD1 4.19Å; L320-I324 HydrophobicContact CD1-CG1 4.46Å; L320-I324 HydrophobicContact CG-CD1 3.96Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 2.76Å |
| 321 | L | 92.9 | Very high | 90.7 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | -179.9 | -172.8 | 62.3 | 0 | 0 | 0 | 112.5 | L317 H318 R319 R325 F342 I344 | L317-L321 WeakPolarHBondContact O-CB 3.47Å; L317-L321 PolarHBondContact O-N 3.02Å; H318-L321 PolarHBondContact O-N 3.27Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.1Å; L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.36Å; L321-R325 PolarHBondContact O-N 3.4Å; L321-R325 VanDerWaalsContact O-N 3.12Å; L321-F342 HydrophobicContact CD1-CB 4.08Å; L321-I344 HydrophobicContact CB-CD1 4.12Å; L321-I344 HydrophobicContact CD1-CD1 4.27Å |
| 322 | A | 92.8 | Very high | 90.4 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L220 H318 R319 L320 R325 L326 | L220-A322 HydrophobicContact CB-CB 4.08Å; L220-A322 HydrophobicContact CD2-CB 4.11Å; H318-A322 WeakPolarHBondContact O-CB 3.28Å; H318-A322 PolarHBondContact O-N 3.07Å; R319-A322 PolarHBondContact O-N 3.25Å; L320-A322 PolarHBondContact O-N 2.78Å; A322-R325 PolarHBondContact O-N 2.87Å; A322-L326 PolarHBondContact O-N 2.91Å |
| 323 | E | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.5 | -151.6 | 73 | -130.5 | 0 | 0 | 111.3 | L220 F271 A281 R319 L320 R325 L326 L327 | L220-E323 VanDerWaalsContact CD1-CD 3.44Å; L220-E323 WeakPolarHBondContact CD1-OE1 3.46Å; L220-E323 WeakPolarHBondContact CD1-OE2 3.42Å; F271-E323 HydrophobicContact CD1-CB 4.44Å; F271-E323 HydrophobicContact CD1-CG 4.24Å; A281-E323 HydrophobicContact CB-CB 3.82Å; A281-E323 HydrophobicContact CB-CG 3.69Å; R319-E323 IonicContact CZ-OE2 2.65Å; R319-E323 IonicContact NE-OE2 3Å; R319-E323 PolarHBondContact NE-OE2 3.27Å; R319-E323 IonicContact NH2-OE2 3.24Å; R319-E323 PolarHBondContact NH2-OE2 3.26Å; R319-E323 WeakPolarHBondContact O-CB 3.35Å; R319-E323 PolarHBondContact O-N 3.45Å; L320-E323 PolarHBondContact O-N 2.86Å; E323-R325 VanDerWaalsContact C-N 3.32Å; E323-R325 PolarHBondContact O-N 2.94Å; E323-L326 PolarHBondContact O-N 2.79Å; E323-L327 HydrophobicContact CG-CD1 4.34Å; E323-L327 WeakPolarHBondContact O-CB 3.27Å; E323-L327 VanDerWaalsContact O-CG 3.25Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.27Å |
| 324 | I | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.7 | -69.4 | 165.7 | 0 | 0 | 0 | 110.5 | A281 I284 L285 L304 L320 L326 L327 V328 F342 | A281-I324 HydrophobicContact CB-CG1 4.3Å; I284-I324 HydrophobicContact CD1-CD1 3.66Å; I284-I324 HydrophobicContact CD1-CG1 4.4Å; L285-I324 HydrophobicContact CD2-CG2 4.35Å; L304-I324 HydrophobicContact CD2-CD1 3.93Å; L320-I324 HydrophobicContact CD1-CD1 4.19Å; L320-I324 HydrophobicContact CD1-CG1 4.46Å; L320-I324 HydrophobicContact CG-CD1 3.96Å; L320-I324 VanDerWaalsContact O-CG1 3.24Å; L320-I324 WeakPolarHBondContact O-CG1 3.28Å; L320-I324 PolarHBondContact O-N 2.76Å; I324-L326 PolarHBondContact O-N 3.47Å; I324-L327 PolarHBondContact O-N 2.84Å; I324-V328 HydrophobicContact CG2-CG2 4.08Å; I324-V328 WeakPolarHBondContact O-CB 3.25Å; I324-V328 WeakPolarHBondContact O-CG2 3.49Å; I324-V328 PolarHBondContact O-N 2.94Å; I324-F342 HydrophobicContact CG2-CB 4.41Å; I324-F342 HydrophobicContact CG2-CD1 3.93Å; I324-F342 HydrophobicContact CG2-CD2 3.72Å; I324-F342 HydrophobicContact CG2-CE1 4.07Å; I324-F342 HydrophobicContact CG2-CE2 3.91Å; I324-F342 HydrophobicContact CG2-CG 3.74Å; I324-F342 HydrophobicContact CG2-CZ 4.07Å |
| 325 | R | 91 | Very high | 89.3 | Confident | 140 Ų | 140 | 50.8 Ų | 50.8 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 179.3 | -73.7 | 169.3 | -179.5 | 169.8 | 0.6 | 111.9 | L321 A322 E323 V328 | L321-R325 VanDerWaalsContact O-CG 3.28Å; L321-R325 WeakPolarHBondContact O-CG 3.36Å; L321-R325 PolarHBondContact O-N 3.4Å; L321-R325 VanDerWaalsContact O-N 3.12Å; A322-R325 PolarHBondContact O-N 2.87Å; E323-R325 VanDerWaalsContact C-N 3.32Å; E323-R325 PolarHBondContact O-N 2.94Å; R325-V328 PolarHBondContact O-N 3.1Å |
| 326 | L | 90.6 | Very high | 88.9 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 175.7 | -178.9 | 68.6 | 0 | 0 | 0 | 111.5 | L220 A322 E323 I324 V328 E329 | L220-L326 HydrophobicContact CD1-CD2 4.07Å; L220-L326 HydrophobicContact CD2-CB 4.33Å; L220-L326 HydrophobicContact CD2-CD2 4.27Å; A322-L326 PolarHBondContact O-N 2.91Å; E323-L326 PolarHBondContact O-N 2.79Å; I324-L326 PolarHBondContact O-N 3.47Å; L326-V328 PolarHBondContact O-N 2.62Å; L326-E329 PolarHBondContact O-N 2.94Å |
| 327 | L | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -35 | -178.4 | -70.6 | 170.2 | 0 | 0 | 0 | 112.8 | A281 T282 L285 E323 I324 E329 K330 Y333 | A281-L327 HydrophobicContact CB-CD1 3.63Å; T282-L327 HydrophobicContact CG2-CD1 3.52Å; T282-L327 HydrophobicContact CG2-CD2 3.78Å; T282-L327 HydrophobicContact CG2-CG 4.26Å; L285-L327 HydrophobicContact CD1-CB 3.37Å; L285-L327 HydrophobicContact CD1-CD1 4.12Å; L285-L327 HydrophobicContact CD1-CG 4.39Å; E323-L327 HydrophobicContact CG-CD1 4.34Å; E323-L327 WeakPolarHBondContact O-CB 3.27Å; E323-L327 VanDerWaalsContact O-CG 3.25Å; E323-L327 WeakPolarHBondContact O-CG 3.47Å; E323-L327 PolarHBondContact O-N 3.27Å; I324-L327 PolarHBondContact O-N 2.84Å; L327-E329 PolarHBondContact O-N 3.05Å; L327-K330 HydrophobicContact CD2-CD 3.98Å; L327-K330 WeakPolarHBondContact O-CB 3.49Å; L327-K330 PolarHBondContact O-N 2.92Å; L327-Y333 VanDerWaalsContact O-CD2 3.25Å; L327-Y333 WeakPolarHBondContact O-CD2 3.48Å |
| 328 | V | 89.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.5 | -23.8 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | L285 I324 R325 L326 L337 K340 F342 | L285-V328 HydrophobicContact CD1-CG2 4.26Å; L285-V328 HydrophobicContact CD2-CG2 3.72Å; I324-V328 HydrophobicContact CG2-CG2 4.08Å; I324-V328 WeakPolarHBondContact O-CB 3.25Å; I324-V328 WeakPolarHBondContact O-CG2 3.49Å; I324-V328 PolarHBondContact O-N 2.94Å; R325-V328 PolarHBondContact O-N 3.1Å; L326-V328 PolarHBondContact O-N 2.62Å; V328-L337 HydrophobicContact CG2-CD1 4.26Å; V328-K340 HydrophobicContact CG1-CB 4.03Å; V328-K340 HydrophobicContact CG1-CD 3.88Å; V328-K340 HydrophobicContact CG1-CG 3.66Å; V328-F342 HydrophobicContact CG2-CD2 4.28Å; V328-F342 HydrophobicContact CG2-CE2 3.43Å; V328-F342 VanDerWaalsContact CG2-CE2 3.43Å; V328-F342 HydrophobicContact CG2-CZ 3.94Å |
| 329 | E | 88.3 | Confident | 85.9 | Confident | 138 Ų | 138 | 49.9 Ų | 49.9 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -77.5 | -19.4 | 174.5 | -66.8 | 176.6 | -178 | 0 | 0 | 113.1 | L326 L327 | L326-E329 PolarHBondContact O-N 2.94Å; L327-E329 PolarHBondContact O-N 3.05Å |
| 330 | K | 87.1 | Confident | 84.9 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 30% | 0.3 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -63.1 | 142.4 | 176.6 | -67.4 | -173.1 | 173.3 | -174.6 | 0 | 110.6 | L327 K332 Y333 S334 | L327-K330 HydrophobicContact CD2-CD 3.98Å; L327-K330 WeakPolarHBondContact O-CB 3.49Å; L327-K330 PolarHBondContact O-N 2.92Å; K330-K332 PolarHBondContact O-N 2.69Å; K330-Y333 HydrophobicContact CB-CD2 4.32Å; K330-Y333 PolarHBondContact O-N 3.37Å; K330-S334 PolarHBondContact O-N 3.23Å |
| 331 | P | 83.5 | Confident | 84.5 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.1 | -27.9 | -174.4 | 22.8 | -34.1 | 0 | 0 | 0 | 113.7 | Y333 S334 N335 | P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 PolarHBondContact O-N 3.2Å; P331-S334 WeakPolarHBondContact CA-OG 3.37Å; P331-N335 PolarHBondContact O-ND2 2.7Å |
| 332 | K | 83.7 | Confident | 84.3 | Confident | 95 Ų | 95 | 59 Ų | 59 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.1 | -36.3 | 175.5 | -171.7 | 179.3 | -175.6 | -178.8 | 0 | 112.6 | E277 K330 | E277-K332 IonicContact OE2-NZ 3.22Å; E277-K332 PolarHBondContact OE2-NZ 2.75Å; K330-K332 PolarHBondContact O-N 2.69Å |
| 333 | Y | 84.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -106.7 | -33.9 | -174.6 | -59.4 | -69.4 | 0 | 0 | 0 | 112.3 | L285 D286 V289 L327 K330 P331 N335 V336 L337 | L285-Y333 HydrophobicContact CB-CD1 3.9Å; L285-Y333 HydrophobicContact CB-CE1 3.63Å; L285-Y333 HydrophobicContact CD1-CD1 4.38Å; L285-Y333 HydrophobicContact CD1-CD2 4.13Å; L285-Y333 HydrophobicContact CD1-CE1 4.45Å; L285-Y333 HydrophobicContact CD1-CE2 4.2Å; L285-Y333 HydrophobicContact CD1-CG 4.22Å; D286-Y333 WeakPolarHBondContact OD1-CE1 3.29Å; D286-Y333 PolarHBondContact OD1-OH 3.27Å; V289-Y333 HydrophobicContact CB-CD1 4.49Å; V289-Y333 HydrophobicContact CG2-CD1 4.04Å; L327-Y333 VanDerWaalsContact O-CD2 3.25Å; L327-Y333 WeakPolarHBondContact O-CD2 3.48Å; K330-Y333 HydrophobicContact CB-CD2 4.32Å; K330-Y333 PolarHBondContact O-N 3.37Å; P331-Y333 VanDerWaalsContact C-N 3.26Å; P331-Y333 PolarHBondContact O-N 3.2Å; Y333-N335 VanDerWaalsContact C-N 3.27Å; Y333-N335 PolarHBondContact O-N 2.9Å; Y333-V336 PolarHBondContact O-N 3.36Å; Y333-V336 VanDerWaalsContact O-N 3.14Å; Y333-L337 PolarHBondContact O-N 3.13Å |
| 334 | S | 81.8 | Confident | 84.2 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -34.3 | -177 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | K330 P331 V336 | K330-S334 PolarHBondContact O-N 3.23Å; P331-S334 WeakPolarHBondContact CA-OG 3.37Å; S334-V336 VanDerWaalsContact C-N 3.3Å |
| 335 | N | 81.9 | Confident | 84.1 | Confident | 139 Ų | 139 | 70.1 Ų | 70.1 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.8 | -177.2 | -65.5 | -14.5 | 0 | 0 | 0 | 112.6 | P331 Y333 | P331-N335 PolarHBondContact O-ND2 2.7Å; Y333-N335 VanDerWaalsContact C-N 3.27Å; Y333-N335 PolarHBondContact O-N 2.9Å |
| 336 | V | 81.1 | Confident | 84 | Confident | 63 Ų | 63 | 68 Ų | 68 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -32.1 | -172.7 | -172.9 | 0 | 0 | 0 | 0 | 112 | V289 Y333 S334 A338 | V289-V336 HydrophobicContact CG1-CB 4.1Å; V289-V336 HydrophobicContact CG1-CG1 3.82Å; V289-V336 HydrophobicContact CG1-CG2 4.31Å; V289-V336 HydrophobicContact CG2-CG1 4.44Å; Y333-V336 PolarHBondContact O-N 3.36Å; Y333-V336 VanDerWaalsContact O-N 3.14Å; S334-V336 VanDerWaalsContact C-N 3.3Å; V336-A338 PolarHBondContact O-N 3.21Å |
| 337 | L | 77.4 | Confident | 84 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | trans | -89.7 | 106.5 | -179.4 | -67 | 172.3 | 0 | 0 | 0 | 111 | L285 V289 V328 Y333 F342 | L285-L337 HydrophobicContact CD2-CD1 4.04Å; V289-L337 HydrophobicContact CG2-CD1 4.14Å; V289-L337 HydrophobicContact CG2-CD2 3.72Å; V289-L337 HydrophobicContact CG2-CG 3.79Å; V328-L337 HydrophobicContact CG2-CD1 4.26Å; Y333-L337 PolarHBondContact O-N 3.13Å; L337-F342 HydrophobicContact CD1-CZ 4.5Å | ||
| 338 | A | 68.1 | Low | 83.9 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 93% | 0.934 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -70.6 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | V336 | V336-A338 PolarHBondContact O-N 3.21Š|
| 339 | S | 70.3 | Confident | 84 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | trans | -118.3 | 128.8 | 178.4 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 340 | K | 73.1 | Confident | 84.1 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | trans | -101.6 | 10 | 179.8 | -58.1 | -172.4 | 176.1 | -173.9 | 0 | 113.2 | V328 F342 | V328-K340 HydrophobicContact CG1-CB 4.03Å; V328-K340 HydrophobicContact CG1-CD 3.88Å; V328-K340 HydrophobicContact CG1-CG 3.66Å; K340-F342 PolarHBondContact O-N 2.85Å | ||
| 341 | N | 84.5 | Confident | 84.3 | Confident | 94 Ų | 94 | 70 Ų | 70 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | trans | -89.8 | 96.1 | -174.3 | -69.1 | -17.1 | 0 | 0 | 0 | 110.7 | S301 | S301-N341 CarbonylContact C-O 3.47Š| ||
| 342 | F | 87.8 | Confident | 84.7 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | trans | -94.1 | 120 | 171.6 | -67.1 | -93.3 | 0 | 0 | 0 | 110.3 | L285 L288 S301 L321 I324 V328 L337 K340 | L285-F342 HydrophobicContact CD2-CE1 4.21Å; L285-F342 HydrophobicContact CD2-CE2 4.49Å; L285-F342 HydrophobicContact CD2-CZ 3.69Å; L288-F342 HydrophobicContact CD1-CE1 3.86Å; L288-F342 HydrophobicContact CD1-CZ 4.37Å; S301-F342 WeakPolarHBondContact O-CA 3.33Å; L321-F342 HydrophobicContact CD1-CB 4.08Å; I324-F342 HydrophobicContact CG2-CB 4.41Å; I324-F342 HydrophobicContact CG2-CD1 3.93Å; I324-F342 HydrophobicContact CG2-CD2 3.72Å; I324-F342 HydrophobicContact CG2-CE1 4.07Å; I324-F342 HydrophobicContact CG2-CE2 3.91Å; I324-F342 HydrophobicContact CG2-CG 3.74Å; I324-F342 HydrophobicContact CG2-CZ 4.07Å; V328-F342 HydrophobicContact CG2-CD2 4.28Å; V328-F342 HydrophobicContact CG2-CE2 3.43Å; V328-F342 VanDerWaalsContact CG2-CE2 3.43Å; V328-F342 HydrophobicContact CG2-CZ 3.94Å; L337-F342 HydrophobicContact CD1-CZ 4.5Å; K340-F342 PolarHBondContact O-N 2.85Å | ||
| 343 | R | 90.6 | Very high | 85.1 | Confident | 152 Ų | 152 | 63.5 Ų | 63.5 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | trans | -119.3 | 130.7 | 173.5 | -49.2 | 176.5 | 175.5 | 170.3 | -0.5 | 109.5 | E302 L304 | E302-R343 WeakPolarHBondContact O-CB 3.36Å; L304-R343 WeakPolarHBondContact CB-O 3.23Å; L304-R343 PolarHBondContact N-O 2.97Å | ||
| 344 | I | 92.5 | Very high | 85.6 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.4 | 177.8 | -61 | 172.8 | 0 | 0 | 0 | 108.1 | L304 V306 L317 L321 | L304-I344 HydrophobicContact CB-CG1 4.36Å; L304-I344 HydrophobicContact CD2-CD1 4.42Å; L304-I344 HydrophobicContact CD2-CG1 3.92Å; L304-I344 HydrophobicContact CG-CG1 4.26Å; L304-I344 WeakPolarHBondContact O-CA 3.36Å; V306-I344 HydrophobicContact CG2-CG2 4.34Å; L317-I344 HydrophobicContact CD2-CG2 4.49Å; L321-I344 HydrophobicContact CB-CD1 4.12Å; L321-I344 HydrophobicContact CD1-CD1 4.27Å |
| 345 | H | 90.8 | Very high | 86.1 | Confident | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.6 | 173.2 | -64.6 | -77.4 | 0 | 0 | 0 | 109.5 | L131 N303 L304 | L131-H345 HydrophobicContact CD1-CB 3.96Å; L131-H345 HydrophobicContact CD2-CB 4.46Å; N303-H345 PolarHBondContact OD1-NE2 3.21Å; L304-H345 PolarHBondContact O-N 2.91Å |
| 346 | S | 88.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 123.3 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 347 | P | 89.1 | Confident | 87.3 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 158.7 | 176.2 | 27.6 | -32.9 | 0 | 0 | 0 | 112 | A349 T354 | P347-A349 VanDerWaalsContact C-N 3.31Å; P347-A349 PolarHBondContact O-N 3.27Å; P347-T354 HydrophobicContact CB-CG2 3.53Å; P347-T354 HydrophobicContact CG-CG2 4Å; P347-T354 WeakPolarHBondContact CG-OG1 3.47Å |
| 348 | P | 88.8 | Confident | 88 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -67.8 | -29.7 | 179.4 | 26 | -34 | 0 | 0 | 0 | 113 | L357 | P348-L357 HydrophobicContact CG-CD2 3.88Š|
| 349 | A | 89.6 | Confident | 89.1 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -94.5 | 168.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | P347 C353 L357 | P347-A349 VanDerWaalsContact C-N 3.31Å; P347-A349 PolarHBondContact O-N 3.27Å; A349-C353 HydrophobicContact CB-CB 4.47Å; A349-L357 HydrophobicContact CB-CB 4.38Å; A349-L357 HydrophobicContact CB-CD2 3.72Å |
| 350 | K | 91.6 | Very high | 90.2 | Very high | 144 Ų | 144 | 46.2 Ų | 46.2 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | trans | -59.2 | 142.8 | 169.3 | -64.2 | -63.5 | -174.1 | -179.7 | 0 | 110.1 | M312 N352 C353 T354 | M312-K350 HydrophobicContact CE-CB 4.32Å; K350-N352 PolarHBondContact O-N 2.78Å; K350-C353 PolarHBondContact O-N 3.33Å; K350-T354 PolarHBondContact O-N 2.98Å; K350-T354 PolarHBondContact O-OG1 3.25Å | ||
| 351 | P | 91 | Very high | 91 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -49.8 | -36.4 | -175.7 | -31 | 35.4 | 0 | 0 | 0 | 115.4 | G308 A311 M312 C353 T354 | G308-P351 PolarHBondContact N-O 3.22Å; G308-P351 VanDerWaalsContact N-O 3.13Å; A311-P351 HydrophobicContact CB-CB 4.26Å; M312-P351 HydrophobicContact CG-CB 4.25Å; M312-P351 HydrophobicContact CG-CG 4.36Å; P351-C353 VanDerWaalsContact C-N 3.35Å; P351-C353 PolarHBondContact O-N 3.07Å; P351-T354 WeakPolarHBondContact CA-OG1 3.33Å; P351-T354 PolarHBondContact O-OG1 3.45Å |
| 352 | N | 91.8 | Very high | 91.1 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -67.1 | -31.9 | 177 | -175.2 | 26.7 | 0 | 0 | 0 | 113.1 | K26 G308 M312 K350 | K26-N352 VanDerWaalsContact CE-CG 3.42Å; K26-N352 WeakPolarHBondContact CE-O 3.5Å; K26-N352 WeakPolarHBondContact CE-OD1 3.33Å; K26-N352 PolarHBondContact NZ-OD1 3.06Å; G308-N352 PolarHBondContact O-N 3.02Å; M312-N352 HydrophobicContact CG-CB 4.35Å; M312-N352 HydrophobicContact SD-CB 3.39Å; M312-N352 WeakPolarHBondContact SD-CB 3.18Å; K350-N352 PolarHBondContact O-N 2.78Å |
| 353 | C | 92.9 | Very high | 91 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -97 | -3 | -177 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | P35 A349 K350 P351 A355 W356 L357 | P35-C353 HydrophobicContact CG-CB 4.45Å; A349-C353 HydrophobicContact CB-CB 4.47Å; K350-C353 PolarHBondContact O-N 3.33Å; P351-C353 VanDerWaalsContact C-N 3.35Å; P351-C353 PolarHBondContact O-N 3.07Å; C353-A355 PolarHBondContact O-N 3.49Å; C353-W356 PolarHBondContact O-N 3.48Å; C353-L357 PolarHBondContact O-N 3.19Å |
| 354 | T | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | -175.2 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | A127 T130 I307 P347 K350 P351 W356 L357 G358 | A127-T354 HydrophobicContact CB-CG2 4.02Å; T130-T354 HydrophobicContact CG2-CG2 4.13Å; T130-T354 WeakPolarHBondContact CG2-O 3.44Å; I307-T354 HydrophobicContact CG2-CG2 3.92Å; P347-T354 HydrophobicContact CB-CG2 3.53Å; P347-T354 HydrophobicContact CG-CG2 4Å; P347-T354 WeakPolarHBondContact CG-OG1 3.47Å; K350-T354 PolarHBondContact O-N 2.98Å; K350-T354 PolarHBondContact O-OG1 3.25Å; P351-T354 WeakPolarHBondContact CA-OG1 3.33Å; P351-T354 PolarHBondContact O-OG1 3.45Å; T354-W356 VanDerWaalsContact C-N 3.34Å; T354-W356 PolarHBondContact O-N 3.41Å; T354-L357 PolarHBondContact O-N 3.26Å; T354-G358 PolarHBondContact O-N 3.03Å |
| 355 | A | 93.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I92 S123 M126 C353 G358 G359 | I92-A355 WeakPolarHBondContact CD1-O 3.41Å; I92-A355 HydrophobicContact CG2-CB 4.29Å; S123-A355 VanDerWaalsContact OG-CB 3.27Å; S123-A355 WeakPolarHBondContact OG-CB 3.36Å; M126-A355 WeakPolarHBondContact CB-O 3.49Å; C353-A355 PolarHBondContact O-N 3.49Å; A355-G358 PolarHBondContact O-N 3.37Å; A355-G359 PolarHBondContact O-N 3.05Å; A355-G359 VanDerWaalsContact O-N 3.09Å |
| 356 | W | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 175.4 | -172.3 | 90.5 | 0 | 0 | 0 | 112.8 | V17 D19 K26 E32 G34 P35 I92 C353 T354 G358 G359 A360 | V17-W356 HydrophobicContact CB-CZ2 4.1Å; V17-W356 HydrophobicContact CG1-CG 4.41Å; V17-W356 PolarHBondContact O-NE1 2.82Å; V17-W356 VanDerWaalsContact O-NE1 3.14Å; D19-W356 HydrophobicContact CB-CB 4.33Å; K26-W356 HydrophobicContact CB-CB 4.38Å; K26-W356 HydrophobicContact CB-CG 4.11Å; K26-W356 HydrophobicContact CD-CB 4.25Å; E32-W356 HydrophobicContact CB-CH2 4.22Å; G34-W356 VanDerWaalsContact C-CH2 3.42Å; G34-W356 VanDerWaalsContact CA-CZ3 3.47Å; G34-W356 VanDerWaalsContact O-CH2 3.25Å; G34-W356 WeakPolarHBondContact O-CH2 3.49Å; G34-W356 WeakPolarHBondContact O-CZ3 3.28Å; P35-W356 HydrophobicContact CB-CD2 3.69Å; P35-W356 HydrophobicContact CB-CE3 4Å; P35-W356 HydrophobicContact CB-CG 4.14Å; P35-W356 HydrophobicContact CB-CH2 4.42Å; P35-W356 HydrophobicContact CB-CZ2 4.13Å; P35-W356 HydrophobicContact CB-CZ3 4.38Å; P35-W356 VanDerWaalsContact CD-CE3 3.48Å; P35-W356 HydrophobicContact CG-CD2 4.23Å; P35-W356 HydrophobicContact CG-CE3 4.24Å; I92-W356 VanDerWaalsContact CD1-CA 3.46Å; I92-W356 HydrophobicContact CD1-CB 4.38Å; C353-W356 PolarHBondContact O-N 3.48Å; T354-W356 VanDerWaalsContact C-N 3.34Å; T354-W356 PolarHBondContact O-N 3.41Å; W356-G358 VanDerWaalsContact C-N 3.27Å; W356-G358 PolarHBondContact O-N 3.08Å; W356-G359 PolarHBondContact O-N 2.98Å; W356-G359 VanDerWaalsContact O-N 3.14Å; W356-A360 HydrophobicContact CE3-CB 4.2Å; W356-A360 HydrophobicContact CH2-CB 3.82Å; W356-A360 HydrophobicContact CZ2-CB 4.37Å; W356-A360 HydrophobicContact CZ3-CB 3.7Å; W356-A360 PolarHBondContact O-N 3.41Å |
| 357 | L | 93.9 | Very high | 87.7 | Confident | 18 Ų | 18 | 41 Ų | 41 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 178.3 | 177.5 | 62.9 | 0 | 0 | 0 | 111.3 | T130 P348 A349 C353 T354 G359 A360 I361 | T130-L357 HydrophobicContact CG2-CB 4.13Å; T130-L357 HydrophobicContact CG2-CD2 4.21Å; T130-L357 HydrophobicContact CG2-CG 4.05Å; P348-L357 HydrophobicContact CG-CD2 3.88Å; A349-L357 HydrophobicContact CB-CB 4.38Å; A349-L357 HydrophobicContact CB-CD2 3.72Å; C353-L357 PolarHBondContact O-N 3.19Å; T354-L357 PolarHBondContact O-N 3.26Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.49Å; L357-A360 WeakPolarHBondContact O-CB 3.46Å; L357-A360 PolarHBondContact O-N 2.91Å; L357-A360 VanDerWaalsContact O-N 3.14Å; L357-I361 HydrophobicContact CD1-CD1 4.48Å; L357-I361 HydrophobicContact CG-CD1 4.21Å; L357-I361 WeakPolarHBondContact O-CG1 3.49Å; L357-I361 PolarHBondContact O-N 3.31Å |
| 358 | G | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M126 T130 T354 A355 W356 A360 I361 F362 | M126-G358 WeakPolarHBondContact O-CA 3.24Å; T130-G358 VanDerWaalsContact CG2-CA 3.48Å; T130-G358 VanDerWaalsContact CG2-N 3.32Å; T354-G358 PolarHBondContact O-N 3.03Å; A355-G358 PolarHBondContact O-N 3.37Å; W356-G358 VanDerWaalsContact C-N 3.27Å; W356-G358 PolarHBondContact O-N 3.08Å; G358-A360 VanDerWaalsContact C-N 3.31Å; G358-A360 PolarHBondContact O-N 3.39Å; G358-I361 PolarHBondContact O-N 3.1Å; G358-F362 VanDerWaalsContact O-CB 3.31Å; G358-F362 WeakPolarHBondContact O-CB 3.46Å; G358-F362 PolarHBondContact O-N 3.2Å |
| 359 | G | 91 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -30.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A355 W356 L357 F362 G363 | A355-G359 PolarHBondContact O-N 3.05Å; A355-G359 VanDerWaalsContact O-N 3.09Å; W356-G359 PolarHBondContact O-N 2.98Å; W356-G359 VanDerWaalsContact O-N 3.14Å; L357-G359 VanDerWaalsContact C-N 3.35Å; L357-G359 PolarHBondContact O-N 3.49Å; G359-F362 PolarHBondContact O-N 3.22Å; G359-G363 PolarHBondContact O-N 2.92Å |
| 360 | A | 91.9 | Very high | 84 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | V17 G31 W356 L357 G358 A364 | V17-A360 HydrophobicContact CG2-CB 4.23Å; G31-A360 PolarHBondContact N-O 2.97Å; W356-A360 HydrophobicContact CE3-CB 4.2Å; W356-A360 HydrophobicContact CH2-CB 3.82Å; W356-A360 HydrophobicContact CZ2-CB 4.37Å; W356-A360 HydrophobicContact CZ3-CB 3.7Å; W356-A360 PolarHBondContact O-N 3.41Å; L357-A360 WeakPolarHBondContact O-CB 3.46Å; L357-A360 PolarHBondContact O-N 2.91Å; L357-A360 VanDerWaalsContact O-N 3.14Å; G358-A360 VanDerWaalsContact C-N 3.31Å; G358-A360 PolarHBondContact O-N 3.39Å; A360-A364 WeakPolarHBondContact O-CB 3.17Å; A360-A364 PolarHBondContact O-N 3.28Å |
| 361 | I | 90.4 | Very high | 83 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 170.4 | -65 | 166.2 | 0 | 0 | 0 | 109.2 | T130 L357 G358 G363 A364 L365 | T130-I361 HydrophobicContact CG2-CD1 4.42Å; L357-I361 HydrophobicContact CD1-CD1 4.48Å; L357-I361 HydrophobicContact CG-CD1 4.21Å; L357-I361 WeakPolarHBondContact O-CG1 3.49Å; L357-I361 PolarHBondContact O-N 3.31Å; G358-I361 PolarHBondContact O-N 3.1Å; I361-G363 VanDerWaalsContact C-N 3.33Å; I361-G363 PolarHBondContact O-N 2.7Å; I361-A364 WeakPolarHBondContact O-CB 3.2Å; I361-A364 PolarHBondContact O-N 2.94Å; I361-A364 VanDerWaalsContact O-N 3.08Å; I361-L365 WeakPolarHBondContact O-CG 3.32Å; I361-L365 PolarHBondContact O-N 3.45Å |
| 362 | F | 87.8 | Confident | 82.3 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | -178.5 | -160.9 | -98 | 0 | 0 | 0 | 112.5 | L119 M126 G358 G359 A364 L365 I368 | L119-F362 HydrophobicContact CD2-CD1 3.6Å; L119-F362 HydrophobicContact CD2-CE1 3.44Å; L119-F362 VanDerWaalsContact CD2-CE1 3.44Å; M126-F362 HydrophobicContact CE-CB 4.48Å; M126-F362 HydrophobicContact CE-CD1 4.46Å; M126-F362 HydrophobicContact CE-CD2 3.81Å; M126-F362 HydrophobicContact CE-CE2 4.03Å; M126-F362 HydrophobicContact CE-CG 4.01Å; M126-F362 HydrophobicContact CE-CZ 4.42Å; M126-F362 HydrophobicContact SD-CB 3.64Å; M126-F362 HydrophobicContact SD-CD1 4.31Å; M126-F362 HydrophobicContact SD-CD2 4.1Å; M126-F362 HydrophobicContact SD-CG 3.78Å; G358-F362 VanDerWaalsContact O-CB 3.31Å; G358-F362 WeakPolarHBondContact O-CB 3.46Å; G358-F362 PolarHBondContact O-N 3.2Å; G359-F362 PolarHBondContact O-N 3.22Å; F362-A364 VanDerWaalsContact C-N 3.31Å; F362-A364 PolarHBondContact O-N 3.44Å; F362-L365 PolarHBondContact O-N 2.87Å; F362-I368 HydrophobicContact CD1-CG2 4.01Å; F362-I368 HydrophobicContact CD2-CD1 4.35Å; F362-I368 HydrophobicContact CD2-CG2 4.41Å; F362-I368 HydrophobicContact CE1-CG2 3.29Å; F362-I368 HydrophobicContact CE2-CD1 4.11Å; F362-I368 HydrophobicContact CE2-CG2 3.78Å; F362-I368 HydrophobicContact CZ-CG2 3.19Å |
| 363 | G | 84.9 | Confident | 81.9 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.2 | -14.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A30 G359 I361 L369 | A30-G363 VanDerWaalsContact CB-C 3.49Å; G359-G363 PolarHBondContact O-N 2.92Å; I361-G363 VanDerWaalsContact C-N 3.33Å; I361-G363 PolarHBondContact O-N 2.7Å; G363-L369 WeakPolarHBondContact O-CD1 3.45Å |
| 364 | A | 85.6 | Confident | 81.7 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 41% | 0.405 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -81.8 | -22.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A360 I361 F362 Q366 | A360-A364 WeakPolarHBondContact O-CB 3.17Å; A360-A364 PolarHBondContact O-N 3.28Å; I361-A364 WeakPolarHBondContact O-CB 3.2Å; I361-A364 PolarHBondContact O-N 2.94Å; I361-A364 VanDerWaalsContact O-N 3.08Å; F362-A364 VanDerWaalsContact C-N 3.31Å; F362-A364 PolarHBondContact O-N 3.44Å; A364-Q366 PolarHBondContact O-N 3.46Å |
| 365 | L | 81.7 | Confident | 81.5 | Confident | 78 Ų | 78 | 41.5 Ų | 41.5 | 41% | 0.408 | 24% | 0.24 | S | C | . | . | trans | -79.1 | 104.1 | 180 | -62.9 | 170.1 | 0 | 0 | 0 | 110.2 | I361 F362 D367 I368 L369 | I361-L365 WeakPolarHBondContact O-CG 3.32Å; I361-L365 PolarHBondContact O-N 3.45Å; F362-L365 PolarHBondContact O-N 2.87Å; L365-D367 PolarHBondContact O-N 3.48Å; L365-I368 HydrophobicContact CB-CB 4.44Å; L365-I368 HydrophobicContact CB-CD1 3.82Å; L365-I368 HydrophobicContact CB-CG1 4.11Å; L365-I368 HydrophobicContact CD1-CD1 3.64Å; L365-I368 HydrophobicContact CG-CD1 4.38Å; L365-I368 PolarHBondContact O-N 3.22Å; L365-L369 PolarHBondContact O-N 3.09Å | ||
| 366 | Q | 62.9 | Low | 81.2 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | -171.5 | -70.2 | -179.7 | -13.3 | 0 | 0 | 113.7 | S9 A364 I368 G370 | S9-Q366 PolarHBondContact O-NE2 3.42Å; A364-Q366 PolarHBondContact O-N 3.46Å; Q366-I368 PolarHBondContact O-N 2.87Å; Q366-G370 PolarHBondContact O-N 2.96Å |
| 367 | D | 63.7 | Low | 80.9 | Confident | 141 Ų | 141 | 50.2 Ų | 50.2 | 75% | 0.754 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.8 | -29.9 | -178 | -62.9 | -29.2 | 0 | 0 | 0 | 113.2 | L365 S371 | L365-D367 PolarHBondContact O-N 3.48Å; D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 PolarHBondContact O-OG 2.88Å |
| 368 | I | 64.3 | Low | 80.5 | Confident | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -82.3 | -42.1 | -173.9 | -58.5 | -177.7 | 0 | 0 | 0 | 110.6 | F362 L365 Q366 G370 S371 R372 | F362-I368 HydrophobicContact CD1-CG2 4.01Å; F362-I368 HydrophobicContact CD2-CD1 4.35Å; F362-I368 HydrophobicContact CD2-CG2 4.41Å; F362-I368 HydrophobicContact CE1-CG2 3.29Å; F362-I368 HydrophobicContact CE2-CD1 4.11Å; F362-I368 HydrophobicContact CE2-CG2 3.78Å; F362-I368 HydrophobicContact CZ-CG2 3.19Å; L365-I368 HydrophobicContact CB-CB 4.44Å; L365-I368 HydrophobicContact CB-CD1 3.82Å; L365-I368 HydrophobicContact CB-CG1 4.11Å; L365-I368 HydrophobicContact CD1-CD1 3.64Å; L365-I368 HydrophobicContact CG-CD1 4.38Å; L365-I368 PolarHBondContact O-N 3.22Å; Q366-I368 PolarHBondContact O-N 2.87Å; I368-G370 VanDerWaalsContact C-N 3.3Å; I368-G370 PolarHBondContact O-N 3.49Å; I368-S371 PolarHBondContact O-N 2.62Å; I368-S371 PolarHBondContact O-OG 3.34Å; I368-R372 HydrophobicContact CG2-CG 4.45Å; I368-R372 WeakPolarHBondContact O-CB 3.46Å; I368-R372 PolarHBondContact O-N 3.27Å |
| 369 | L | 62.5 | Low | 80.3 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -34.2 | 176.3 | -71.9 | -175 | 0 | 0 | 0 | 112.2 | A15 V90 L119 G363 L365 S373 | A15-L369 HydrophobicContact CB-CD1 3.8Å; V90-L369 HydrophobicContact CG2-CD2 3.66Å; L119-L369 HydrophobicContact CD2-CD2 3.76Å; G363-L369 WeakPolarHBondContact O-CD1 3.45Å; L365-L369 PolarHBondContact O-N 3.09Å; L369-S373 VanDerWaalsContact O-CB 3.24Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-OG 2.69Å |
| 370 | G | 62.3 | Low | 80.1 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q366 I368 | Q366-G370 PolarHBondContact O-N 2.96Å; I368-G370 VanDerWaalsContact C-N 3.3Å; I368-G370 PolarHBondContact O-N 3.49Å |
| 371 | S | 69.7 | Low | 79.9 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -95.2 | -37 | -172.6 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | D367 I368 | D367-S371 PolarHBondContact O-N 3.1Å; D367-S371 PolarHBondContact O-OG 2.88Å; I368-S371 PolarHBondContact O-N 2.62Å; I368-S371 PolarHBondContact O-OG 3.34Å |
| 372 | R | 76.9 | Confident | 79.6 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 50% | 0.498 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -103.3 | -15 | -171.5 | -59.3 | -167.5 | 177.4 | -164.5 | -0.5 | 114.9 | L119 I368 F399 | L119-R372 HydrophobicContact CD1-CB 4.34Å; I368-R372 HydrophobicContact CG2-CG 4.45Å; I368-R372 WeakPolarHBondContact O-CB 3.46Å; I368-R372 PolarHBondContact O-N 3.27Å; R372-F399 HydrophobicContact CB-CE1 4.15Å; R372-F399 HydrophobicContact CB-CZ 4.09Å; R372-F399 HydrophobicContact CG-CE1 3.79Å; R372-F399 HydrophobicContact CG-CZ 4.22Å |
| 373 | S | 84.2 | Confident | 79.1 | Confident | 23 Ų | 23 | 67 Ų | 67 | 16% | 0.161 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -78.1 | 149 | 179 | 76.2 | 0 | 0 | 0 | 0 | 111.5 | S117 L369 | S117-S373 WeakPolarHBondContact CB-OG 3.23Å; S117-S373 PolarHBondContact OG-OG 2.76Å; S117-S373 VanDerWaalsContact OG-OG 3.1Å; L369-S373 VanDerWaalsContact O-CB 3.24Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-OG 2.69Å |
| 374 | V | 87.1 | Confident | 78.6 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.2 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | S117 V118 Y378 I385 P386 | S117-V374 CarbonylContact C-O 3.44Å; S117-V374 VanDerWaalsContact CA-O 3.23Å; S117-V374 WeakPolarHBondContact CA-O 3.15Å; S117-V374 WeakPolarHBondContact CB-O 3.44Å; V118-V374 PolarHBondContact N-O 2.95Å; V118-V374 PolarHBondContact O-N 3.4Å; V374-Y378 HydrophobicContact CG1-CD1 3.61Å; V374-Y378 HydrophobicContact CG1-CE1 4.39Å; V374-Y378 HydrophobicContact CG1-CG 4.33Å; V374-I385 HydrophobicContact CB-CD1 4.37Å; V374-I385 HydrophobicContact CB-CG1 4.44Å; V374-I385 HydrophobicContact CG1-CD1 4.43Å; V374-I385 HydrophobicContact CG1-CG1 4.13Å; V374-I385 HydrophobicContact CG2-CG1 4.43Å; V374-I385 HydrophobicContact CG2-CG2 4.35Å; V374-P386 HydrophobicContact CG2-CG 4.46Å |
| 375 | S | 89.9 | Confident | 78.3 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 157.3 | 176.2 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | D377 Y378 Y379 | S375-D377 VanDerWaalsContact C-N 3.25Å; S375-D377 PolarHBondContact O-N 3.45Å; S375-Y378 PolarHBondContact O-N 2.82Å; S375-Y378 PolarHBondContact OG-N 3.01Å; S375-Y379 PolarHBondContact O-N 3.47Å; S375-Y379 VanDerWaalsContact O-N 3.08Å |
| 376 | R | 87.8 | Confident | 77.9 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 174.1 | -172.4 | 179.9 | 68.8 | 173.9 | 0.4 | 112.6 | F110 E114 P116 Y379 N380 | F110-R376 HydrophobicContact CD1-CB 3.7Å; F110-R376 HydrophobicContact CD1-CG 3.76Å; F110-R376 VanDerWaalsContact CE1-CA 3.49Å; F110-R376 HydrophobicContact CE1-CB 3.77Å; F110-R376 HydrophobicContact CE1-CG 4.35Å; F110-R376 HydrophobicContact CG-CG 4.37Å; E114-R376 IonicContact OE2-NH1 3.38Å; P116-R376 PolarHBondContact O-N 2.81Å; P116-R376 VanDerWaalsContact O-N 3.08Å; R376-Y379 PolarHBondContact O-N 3.14Å; R376-N380 VanDerWaalsContact O-CG 3.32Å; R376-N380 PolarHBondContact O-N 2.87Å; R376-N380 PolarHBondContact O-ND2 3.36Å |
| 377 | D | 88.1 | Confident | 78.4 | Confident | 98 Ų | 98 | 66.5 Ų | 66.5 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | -177.7 | -60.8 | -27 | 0 | 0 | 0 | 111.3 | S375 N380 Q381 | S375-D377 VanDerWaalsContact C-N 3.25Å; S375-D377 PolarHBondContact O-N 3.45Å; D377-N380 PolarHBondContact O-N 2.92Å; D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 3.25Å |
| 378 | Y | 86.3 | Confident | 78.6 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 171.6 | -176.6 | -89.4 | 0 | 0 | 0 | 110.9 | V374 S375 N380 Q381 T382 P396 | V374-Y378 HydrophobicContact CG1-CD1 3.61Å; V374-Y378 HydrophobicContact CG1-CE1 4.39Å; V374-Y378 HydrophobicContact CG1-CG 4.33Å; S375-Y378 PolarHBondContact O-N 2.82Å; S375-Y378 PolarHBondContact OG-N 3.01Å; Y378-N380 VanDerWaalsContact C-N 3.31Å; Y378-N380 PolarHBondContact O-N 3.28Å; Y378-Q381 PolarHBondContact O-N 3.08Å; Y378-Q381 VanDerWaalsContact O-N 3.12Å; Y378-T382 HydrophobicContact CE1-CG2 4.35Å; Y378-T382 PolarHBondContact O-N 2.88Å; Y378-T382 PolarHBondContact O-OG1 3.4Å; Y378-P396 HydrophobicContact CE2-CB 3.98Å; Y378-P396 HydrophobicContact CE2-CG 4.39Å |
| 379 | Y | 87.3 | Confident | 78.2 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 178.8 | -177.7 | -103.7 | 0 | 0 | 0 | 113.1 | T106 K107 F110 S375 R376 Q381 G383 I385 | T106-Y379 HydrophobicContact CG2-CD2 3.78Å; T106-Y379 HydrophobicContact CG2-CE2 3.49Å; T106-Y379 VanDerWaalsContact CG2-CE2 3.49Å; T106-Y379 HydrophobicContact CG2-CG 4.42Å; K107-Y379 WeakPolarHBondContact CG-OH 3.39Å; F110-Y379 HydrophobicContact CB-CD1 3.92Å; F110-Y379 HydrophobicContact CB-CE1 4.23Å; F110-Y379 AromaticContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD1 3.41Å; F110-Y379 VanDerWaalsContact CD2-CD1 3.41Å; F110-Y379 HydrophobicContact CD2-CD2 4Å; F110-Y379 HydrophobicContact CD2-CE1 4.01Å; F110-Y379 AromaticContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CD2-CG 3.4Å; F110-Y379 VanDerWaalsContact CD2-CG 3.4Å; F110-Y379 HydrophobicContact CE2-CD1 4.18Å; F110-Y379 HydrophobicContact CE2-CD2 4.11Å; F110-Y379 AromaticContact CE2-CG 3.68Å; F110-Y379 HydrophobicContact CE2-CG 3.68Å; F110-Y379 AromaticContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CD1 3.95Å; F110-Y379 HydrophobicContact CG-CG 4.28Å; S375-Y379 PolarHBondContact O-N 3.47Å; S375-Y379 VanDerWaalsContact O-N 3.08Å; R376-Y379 PolarHBondContact O-N 3.14Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.34Å; Y379-G383 WeakPolarHBondContact CE2-O 3.32Å; Y379-G383 WeakPolarHBondContact O-CA 3.38Å; Y379-G383 PolarHBondContact O-N 2.99Å; Y379-I385 HydrophobicContact CD2-CG1 4.12Å |
| 380 | N | 87.7 | Confident | 77.8 | Confident | 111 Ų | 111 | 70.1 Ų | 70.1 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.9 | -28.7 | 177 | -72.8 | -22.6 | 0 | 0 | 0 | 112.9 | R376 D377 Y378 | R376-N380 VanDerWaalsContact O-CG 3.32Å; R376-N380 PolarHBondContact O-N 2.87Å; R376-N380 PolarHBondContact O-ND2 3.36Å; D377-N380 PolarHBondContact O-N 2.92Å; Y378-N380 VanDerWaalsContact C-N 3.31Å; Y378-N380 PolarHBondContact O-N 3.28Å |
| 381 | Q | 87.6 | Confident | 77.3 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 76% | 0.757 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -82.5 | -46.7 | 177.7 | -67 | 172.3 | 27.3 | 0 | 0 | 112.2 | D377 Y378 Y379 | D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 3.25Å; Y378-Q381 PolarHBondContact O-N 3.08Å; Y378-Q381 VanDerWaalsContact O-N 3.12Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.34Å |
| 382 | T | 82.3 | Confident | 76.3 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -88.5 | -26.3 | -173.7 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | Y378 R384 | Y378-T382 HydrophobicContact CE1-CG2 4.35Å; Y378-T382 PolarHBondContact O-N 2.88Å; Y378-T382 PolarHBondContact O-OG1 3.4Å; T382-R384 PolarHBondContact O-N 3.16Å; T382-R384 VanDerWaalsContact O-N 3.15Å |
| 383 | G | 78.6 | Confident | 74.9 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 71.8 | -4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y379 | Y379-G383 WeakPolarHBondContact CE2-O 3.32Å; Y379-G383 WeakPolarHBondContact O-CA 3.38Å; Y379-G383 PolarHBondContact O-N 2.99Å |
| 384 | R | 74.9 | Confident | 73 | Confident | 156 Ų | 156 | 76.7 Ų | 76.7 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -144.2 | 159.6 | -179.5 | -68.5 | -168.7 | -177.6 | -178.6 | -1.1 | 111.7 | E103 T382 | E103-R384 IonicContact OE1-CZ 3.25Å; E103-R384 IonicContact OE1-NE 2.73Å; T382-R384 PolarHBondContact O-N 3.16Å; T382-R384 VanDerWaalsContact O-N 3.15Å |
| 385 | I | 78.1 | Confident | 71.2 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 10% | 0.097 | 43% | 0.427 | C | S | . | . | trans | -100.9 | 140.7 | 172.8 | -74.7 | -172.9 | 0 | 0 | 0 | 109 | T106 F110 F120 V374 Y379 D387 | T106-I385 HydrophobicContact CG2-CD1 3.27Å; T106-I385 HydrophobicContact CG2-CG1 3.79Å; T106-I385 WeakPolarHBondContact OG1-CD1 3.46Å; F110-I385 HydrophobicContact CE2-CD1 4.21Å; F120-I385 HydrophobicContact CD2-CD1 4.14Å; F120-I385 HydrophobicContact CD2-CG2 4.11Å; F120-I385 HydrophobicContact CE2-CD1 3.53Å; F120-I385 HydrophobicContact CE2-CG2 4.32Å; V374-I385 HydrophobicContact CB-CD1 4.37Å; V374-I385 HydrophobicContact CB-CG1 4.44Å; V374-I385 HydrophobicContact CG1-CD1 4.43Å; V374-I385 HydrophobicContact CG1-CG1 4.13Å; V374-I385 HydrophobicContact CG2-CG1 4.43Å; V374-I385 HydrophobicContact CG2-CG2 4.35Å; Y379-I385 HydrophobicContact CD2-CG1 4.12Å; I385-D387 PolarHBondContact O-N 2.83Å | ||
| 386 | P | 73.9 | Confident | 69.1 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 23% | 0.234 | 42% | 0.42 | C | S | . | . | trans | -60.1 | 131 | 175.4 | 25.5 | -35 | 0 | 0 | 0 | 110.9 | V374 | V374-P386 HydrophobicContact CG2-CG 4.46Š| ||
| 387 | D | 73.1 | Confident | 66.9 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 11% | 0.112 | 44% | 0.44 | C | S | . | . | trans | -105.4 | 146 | 174.3 | -171.2 | -0.4 | 0 | 0 | 0 | 109.6 | S99 R102 I385 C389 C390 | S99-D387 WeakPolarHBondContact CB-OD2 3.45Å; S99-D387 PolarHBondContact OG-OD2 2.66Å; R102-D387 IonicContact CZ-OD1 3.81Å; R102-D387 IonicContact CZ-OD2 3.82Å; R102-D387 IonicContact NH1-OD1 2.68Å; R102-D387 PolarHBondContact NH1-OD1 3.45Å; R102-D387 IonicContact NH1-OD2 3.11Å; R102-D387 IonicContact NH2-OD1 3.74Å; R102-D387 PolarHBondContact NH2-OD1 3.21Å; R102-D387 IonicContact NH2-OD2 4Å; R102-D387 PolarHBondContact NH2-OD2 3.31Å; I385-D387 PolarHBondContact O-N 2.83Å; D387-C389 PolarHBondContact O-N 3.48Å; D387-C389 PolarHBondContact OD1-N 2.67Å; D387-C390 HydrophobicContact CB-CB 3.67Å; D387-C390 PolarHBondContact O-N 3.05Å | ||
| 388 | W | 68.3 | Low | 64.8 | Low | 118 Ų | 118 | 79.3 Ų | 79.3 | 45% | 0.447 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -37.3 | 166.7 | -51.1 | 98 | 0 | 0 | 0 | 112.2 | P122 | P122-W388 HydrophobicContact CG-CH2 4.47Å; P122-W388 HydrophobicContact CG-CZ2 4.04Å |
| 389 | C | 54.7 | Low | 62.7 | Low | 104 Ų | 104 | 80.5 Ų | 80.5 | 70% | 0.703 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -12.2 | -178.7 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | D387 L391 | D387-C389 PolarHBondContact O-N 3.48Å; D387-C389 PolarHBondContact OD1-N 2.67Å; C389-L391 PolarHBondContact O-N 3.44Å |
| 390 | C | 55.5 | Low | 60.5 | Low | 42 Ų | 42 | 88.1 Ų | 88.1 | 28% | 0.284 | 47% | 0.473 | S | S | . | . | trans | -102.6 | 84.7 | -174.3 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | D387 S392 S393 | D387-C390 HydrophobicContact CB-CB 3.67Å; D387-C390 PolarHBondContact O-N 3.05Å; C390-S392 PolarHBondContact O-N 3.21Å; C390-S392 PolarHBondContact SG-OG 2.99Å; C390-S393 PolarHBondContact O-N 2.95Å; C390-S393 PolarHBondContact O-OG 3.25Å | ||
| 391 | L | 52 | Low | 58 | Low | 174 Ų | 174 | 88.1 Ų | 88.1 | 91% | 0.911 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.3 | 175.2 | -65.9 | 168.8 | 0 | 0 | 0 | 113.9 | C389 S393 | C389-L391 PolarHBondContact O-N 3.44Å; L391-S393 VanDerWaalsContact C-N 3.32Å |
| 392 | S | 47.9 | Very low | 55.7 | Low | 108 Ų | 108 | 84.5 Ų | 84.5 | 76% | 0.755 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -7.3 | -179 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | C390 | C390-S392 PolarHBondContact O-N 3.21Å; C390-S392 PolarHBondContact SG-OG 2.99Å |
| 393 | S | 47.3 | Very low | 53.6 | Low | 33 Ų | 33 | 84.5 Ų | 84.5 | 23% | 0.231 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -121.5 | 96 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 108.8 | C390 L391 | C390-S393 PolarHBondContact O-N 2.95Å; C390-S393 PolarHBondContact O-OG 3.25Å; L391-S393 VanDerWaalsContact C-N 3.32Å |
| 394 | P | 44.9 | Very low | 51.6 | Low | 96 Ų | 96 | 90.4 Ų | 90.4 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 143.9 | 172.3 | 24.9 | -31.4 | 0 | 0 | 0 | 108.9 | ||
| 395 | P | 48.7 | Very low | 49.7 | Very low | 50 Ų | 50 | 88 Ų | 88 | 33% | 0.325 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -53 | 143.8 | 169.3 | 22.7 | -31 | 0 | 0 | 0 | 108.9 | E397 F399 Y400 | P395-E397 PolarHBondContact O-N 3.37Å; P395-F399 HydrophobicContact CB-CB 4.25Å; P395-F399 HydrophobicContact CB-CD1 4.48Å; P395-F399 HydrophobicContact CB-CD2 3.59Å; P395-F399 HydrophobicContact CB-CE2 3.98Å; P395-F399 HydrophobicContact CB-CG 3.86Å; P395-Y400 HydrophobicContact CG-CE2 4.36Å |
| 396 | P | 45.8 | Very low | 47.5 | Very low | 29 Ų | 29 | 92.5 Ų | 92.5 | 19% | 0.188 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 143.8 | -175 | 11.1 | -23.8 | 0 | 0 | 0 | 111.4 | Y378 S398 F399 | Y378-P396 HydrophobicContact CE2-CB 3.98Å; Y378-P396 HydrophobicContact CE2-CG 4.39Å; P396-S398 PolarHBondContact O-N 3.35Å; P396-F399 HydrophobicContact CB-CD2 4.45Å; P396-F399 HydrophobicContact CG-CD2 3.66Å; P396-F399 HydrophobicContact CG-CE2 3.57Å; P396-F399 WeakPolarHBondContact O-CB 3.42Å; P396-F399 WeakPolarHBondContact O-CD2 3.37Å; P396-F399 PolarHBondContact O-N 2.93Å |
| 397 | E | 42.1 | Very low | 45.7 | Very low | 164 Ų | 164 | 95.9 Ų | 95.9 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -54.8 | -19.6 | -174.1 | -69.6 | -176.9 | 153.2 | 0 | 0 | 113.7 | P395 F399 Y400 E401 | P395-E397 PolarHBondContact O-N 3.37Å; E397-F399 PolarHBondContact O-N 2.79Å; E397-F399 VanDerWaalsContact O-N 3.16Å; E397-Y400 PolarHBondContact O-N 3.4Å; E397-E401 PolarHBondContact O-N 3.12Å |
| 398 | S | 44.2 | Very low | 43.8 | Very low | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -56.1 | -23.2 | 169.3 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | P396 Y400 | P396-S398 PolarHBondContact O-N 3.35Å; S398-Y400 VanDerWaalsContact C-N 3.28Å; S398-Y400 PolarHBondContact O-N 3.27Å |
| 399 | F | 41 | Very low | 42.1 | Very low | 82 Ų | 82 | 103.2 Ų | 103.2 | 36% | 0.36 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -69.6 | -23.2 | 173.4 | -80.9 | -90.3 | 0 | 0 | 0 | 112.9 | R372 P395 P396 E397 | R372-F399 HydrophobicContact CB-CE1 4.15Å; R372-F399 HydrophobicContact CB-CZ 4.09Å; R372-F399 HydrophobicContact CG-CE1 3.79Å; R372-F399 HydrophobicContact CG-CZ 4.22Å; P395-F399 HydrophobicContact CB-CB 4.25Å; P395-F399 HydrophobicContact CB-CD1 4.48Å; P395-F399 HydrophobicContact CB-CD2 3.59Å; P395-F399 HydrophobicContact CB-CE2 3.98Å; P395-F399 HydrophobicContact CB-CG 3.86Å; P396-F399 HydrophobicContact CB-CD2 4.45Å; P396-F399 HydrophobicContact CG-CD2 3.66Å; P396-F399 HydrophobicContact CG-CE2 3.57Å; P396-F399 WeakPolarHBondContact O-CB 3.42Å; P396-F399 WeakPolarHBondContact O-CD2 3.37Å; P396-F399 PolarHBondContact O-N 2.93Å; E397-F399 PolarHBondContact O-N 2.79Å; E397-F399 VanDerWaalsContact O-N 3.16Å |
| 400 | Y | 41.1 | Very low | 40.9 | Very low | 172 Ų | 172 | 106.8 Ų | 106.8 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -11.3 | 179.8 | -65.9 | -81.3 | 0 | 0 | 0 | 113.6 | P395 E397 S398 A402 | P395-Y400 HydrophobicContact CG-CE2 4.36Å; E397-Y400 PolarHBondContact O-N 3.4Å; S398-Y400 VanDerWaalsContact C-N 3.28Å; S398-Y400 PolarHBondContact O-N 3.27Å; Y400-A402 VanDerWaalsContact C-N 3.31Å; Y400-A402 PolarHBondContact O-N 2.86Å |
| 401 | E | 35.4 | Very low | 39.8 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 52% | 0.519 | 64% | 0.642 | S | S | . | * | G | 310 helix | trans | -78.6 | -8.8 | 179.7 | -72.7 | -161.4 | 138.8 | 0 | 0 | 114.8 | E397 G403 K404 | E397-E401 PolarHBondContact O-N 3.12Å; E401-G403 PolarHBondContact O-N 3.36Å; E401-K404 PolarHBondContact O-N 3.15Å |
| 402 | A | 41.1 | Very low | 38.8 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -59.4 | -13.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y400 | Y400-A402 VanDerWaalsContact C-N 3.31Å; Y400-A402 PolarHBondContact O-N 2.86Å |
| 403 | G | 37.9 | Very low | 38.2 | Very low | 71 Ų | 71 | 116 Ų | 116 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -91.6 | -4.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E401 | E401-G403 PolarHBondContact O-N 3.36Š|
| 404 | K | 35.6 | Very low | 37.5 | Very low | 163 Ų | 163 | 124 Ų | 124 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -13.3 | -177 | -73.9 | -175.3 | -175.9 | 169.7 | 0 | 114.7 | E401 P406 | E401-K404 PolarHBondContact O-N 3.15Å; K404-P406 WeakPolarHBondContact O-CD 3.2Å |
| 405 | T | 35.6 | Very low | 37 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -78.5 | 117.4 | 167.9 | 43 | 0 | 0 | 0 | 0 | 108.8 | ||
| 406 | P | 32.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.3 | 171.6 | 24.7 | -31.8 | 0 | 0 | 0 | 108.2 | K404 | K404-P406 WeakPolarHBondContact O-CD 3.2Š|
| 407 | P | 34.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 139.7 | 176.5 | 23.3 | -32.3 | 0 | 0 | 0 | 108.4 | L409 | P407-L409 PolarHBondContact O-N 3.48Š|
| 408 | P | 33.6 | Very low | 35.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117.9 | 175.4 | 22.6 | -30.6 | 0 | 0 | 0 | 107 | M410 | P408-M410 PolarHBondContact O-N 2.95Š|
| 409 | L | 32.2 | Very low | 35 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | -52.8 | 104.8 | 176 | -79.4 | 160.2 | 0 | 0 | 0 | 107.3 | P407 K411 | P407-L409 PolarHBondContact O-N 3.48Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.28Å | ||
| 410 | M | 29.6 | Very low | 34.6 | Very low | 179 Ų | 179 | 150.7 Ų | 150.7 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -55.7 | 106.3 | 161.4 | -83.5 | -169 | -156.5 | 0 | 0 | 105.7 | P408 R412 | P408-M410 PolarHBondContact O-N 2.95Å; M410-R412 PolarHBondContact O-N 3.29Å | ||
| 411 | K | 32.4 | Very low | 34.3 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -58.1 | 97 | 161 | -82.3 | -178 | 174.4 | 178.5 | 0 | 105.9 | L409 A413 | L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.28Å; K411-A413 VanDerWaalsContact C-N 3.34Å; K411-A413 PolarHBondContact O-N 3.06Å | ||
| 412 | R | 31.1 | Very low | 34.2 | Very low | 223 Ų | 223 | 151.8 Ų | 151.8 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -57.2 | 104.6 | 163.5 | -86.1 | -177.5 | 172.9 | 175.5 | -1.9 | 106.1 | M410 Y414 | M410-R412 PolarHBondContact O-N 3.29Å; R412-Y414 PolarHBondContact O-N 3.06Å | ||
| 413 | A | 36.4 | Very low | 33.8 | Very low | 93 Ų | 93 | 156 Ų | 156 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -65.8 | 86.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | K411 | K411-A413 VanDerWaalsContact C-N 3.34Å; K411-A413 PolarHBondContact O-N 3.06Å | ||
| 414 | Y | 31.6 | Very low | 33.5 | Very low | 202 Ų | 202 | 161.7 Ų | 161.7 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -126.5 | 88 | 155.9 | -88.2 | -80.4 | 0 | 0 | 0 | 107 | R412 M416 | R412-Y414 PolarHBondContact O-N 3.06Å; Y414-M416 PolarHBondContact O-N 3.48Å | ||
| 415 | S | 35.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 161.6 Ų | 161.6 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | trans | -64.9 | 110.8 | 155.6 | 166.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 416 | M | 31.2 | Very low | 33.2 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 87% | 0.867 | 84% | 0.842 | S | S | * | * | trans | -140 | 87.6 | 153.9 | -77.3 | -64.2 | -125.1 | 0 | 0 | 106.7 | Y414 | Y414-M416 PolarHBondContact O-N 3.48Š| ||
| 417 | E | 36 | Very low | 33.2 | Very low | 181 Ų | 181 | 170.3 Ų | 170.3 | 85% | 0.846 | 85% | 0.852 | S | S | * | * | trans | -65.1 | 121.7 | 155.3 | -71.8 | 179.7 | 154 | 0 | 0 | 108.5 | ||||
| 418 | K | 35.3 | Very low | 33.2 | Very low | 283 Ų | 283 | 176.1 Ų | 176.1 | 100% | 1.23 | 87% | 0.866 | S | S | * | * | -167.6 | 0 | 124.6 | -105.8 | -178.9 | -177.1 | -177.6 | 0 | 111.1 |
Retrieved 418 of 418 residues in 808.7 ms
(Link to these results)