| 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 | 49.3 | Very low | 89.8 | Confident | 234 Ų | 234 | 74.1 Ų | 74.1 | 100% | 1.153 | 36% | 0.357 | S | S | * | . | 0 | 127.5 | 0 | -80.8 | -174.2 | -173 | 0 | 0 | 107.7 | I3 | M1-I3 PolarHBondContact O-N 3.37Š| |||
| 2 | D | 73.7 | Confident | 90.4 | Very high | 165 Ų | 165 | 71.3 Ų | 71.3 | 88% | 0.882 | 35% | 0.345 | S | S | * | . | trans | -72.8 | 120.8 | 174.8 | -152.9 | -6.7 | 0 | 0 | 0 | 109 | ||||
| 3 | I | 87.8 | Confident | 90.9 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | trans | -94 | 113 | -176 | -54.5 | 179.6 | 0 | 0 | 0 | 108 | M1 | M1-I3 PolarHBondContact O-N 3.37Š| ||
| 4 | R | 93.2 | Very high | 91.3 | Very high | 212 Ų | 212 | 65.4 Ų | 65.4 | 80% | 0.8 | 32% | 0.319 | S | S | * | . | trans | -61.9 | 149 | 179.1 | -61.3 | -172.4 | -59.7 | -178.9 | 2.1 | 111.6 | N6 | R4-N6 PolarHBondContact O-N 3.05Š| ||
| 5 | P | 96.4 | Very high | 91.6 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 51% | 0.506 | 31% | 0.31 | S | S | . | . | trans | -51.7 | 134.9 | 172.9 | -28.1 | 35.9 | 0 | 0 | 0 | 112.4 | L59 Y83 | P5-L59 HydrophobicContact CB-CD1 4.02Å; P5-L59 HydrophobicContact CB-CD2 4.36Å; P5-L59 HydrophobicContact CB-CG 4.45Å; P5-Y83 HydrophobicContact CB-CE1 4.22Å; P5-Y83 HydrophobicContact CB-CE2 4.24Å; P5-Y83 HydrophobicContact CG-CE2 4.3Å | ||
| 6 | N | 97.1 | Very high | 91.9 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | trans | -137.2 | 146.3 | -177.6 | -159.4 | -59.2 | 0 | 0 | 0 | 110.6 | R4 T8 S62 Y83 D87 | R4-N6 PolarHBondContact O-N 3.05Å; N6-T8 PolarHBondContact O-N 2.94Å; N6-T8 PolarHBondContact OD1-N 3.12Å; N6-S62 WeakPolarHBondContact O-CB 3.35Å; N6-S62 PolarHBondContact O-OG 3.24Å; N6-Y83 HydrophobicContact CB-CD1 4.24Å; N6-Y83 WeakPolarHBondContact O-CD1 3.15Å; N6-D87 PolarHBondContact ND2-OD1 3.37Å | ||
| 7 | H | 97.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -60.5 | -26.7 | 175 | -65 | 65.9 | 0 | 0 | 0 | 111.7 | F56 K57 I91 R95 | H7-F56 PolarHBondContact O-N 3.33Å; H7-K57 PolarHBondContact CD2-O 3.4Å; H7-I91 HydrophobicContact CB-CD1 3.89Å; H7-I91 HydrophobicContact CB-CG1 3.98Å; H7-I91 HydrophobicContact CB-CG2 4.4Å; H7-R95 PolarHBondContact CE1-NH2 3.08Å; H7-R95 PolarHBondContact NE2-NH2 3.44Å |
| 8 | T | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.1 | 177.1 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | N6 F53 V54 I55 A84 S88 | N6-T8 PolarHBondContact O-N 2.94Å; N6-T8 PolarHBondContact OD1-N 3.12Å; T8-F53 HydrophobicContact CG2-CB 3.84Å; T8-F53 HydrophobicContact CG2-CD1 3.91Å; T8-F53 HydrophobicContact CG2-CG 4.33Å; T8-V54 WeakPolarHBondContact CA-O 3.41Å; T8-I55 HydrophobicContact CG2-CG1 3.82Å; T8-A84 HydrophobicContact CG2-CB 3.83Å; T8-A84 VanDerWaalsContact O-CB 3.3Å; T8-A84 WeakPolarHBondContact O-CB 3.44Å; T8-A84 PolarHBondContact O-N 3.4Å; T8-S88 WeakPolarHBondContact CB-OG 3.42Å; T8-S88 WeakPolarHBondContact CG2-OG 3.19Å; T8-S88 WeakPolarHBondContact OG1-CB 3.27Å; T8-S88 PolarHBondContact OG1-OG 3.42Å |
| 9 | I | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.6 | 167 | 59.2 | 172.9 | 0 | 0 | 0 | 110 | I11 F31 F53 V54 F56 A65 L66 I81 Q82 Y83 | I9-I11 HydrophobicContact CD1-CD1 4.3Å; I9-I11 HydrophobicContact CD1-CG1 4.42Å; I9-I11 HydrophobicContact CG1-CG1 4.49Å; I9-F31 HydrophobicContact CD1-CD1 3.75Å; I9-F31 HydrophobicContact CD1-CE1 3.27Å; I9-F31 HydrophobicContact CD1-CZ 3.93Å; I9-F53 VanDerWaalsContact O-CA 3.29Å; I9-F53 WeakPolarHBondContact O-CA 3.27Å; I9-V54 HydrophobicContact CD1-CB 4.14Å; I9-V54 HydrophobicContact CG1-CB 3.79Å; I9-V54 PolarHBondContact N-O 3.03Å; I9-V54 PolarHBondContact O-N 3.36Å; I9-F56 HydrophobicContact CD1-CE2 3.91Å; I9-F56 HydrophobicContact CG1-CE2 4.28Å; I9-A65 HydrophobicContact CD1-CB 4.44Å; I9-L66 HydrophobicContact CG2-CB 4.46Å; I9-I81 HydrophobicContact CB-CG2 3.88Å; I9-I81 HydrophobicContact CD1-CG2 3.94Å; I9-I81 HydrophobicContact CG1-CG2 4.39Å; I9-I81 HydrophobicContact CG2-CG2 4.29Å; I9-Q82 CarbonylContact C-O 3.54Å; I9-Q82 WeakPolarHBondContact CA-O 3.35Å; I9-Y83 HydrophobicContact CG2-CD1 4.36Å |
| 10 | Y | 98.3 | Very high | 92.8 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.6 | 170.1 | 168.8 | -110.3 | 0 | 0 | 0 | 109 | N12 Q51 F53 I81 Q82 | Y10-N12 HydrophobicContact CE1-CB 3.83Å; Y10-N12 WeakPolarHBondContact OH-CB 3.46Å; Y10-Q51 HydrophobicContact CE2-CB 3.99Å; Y10-Q51 HydrophobicContact CE2-CG 4.08Å; Y10-Q51 VanDerWaalsContact OH-CD 3.26Å; Y10-Q51 PolarHBondContact OH-OE1 2.89Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE2 4.23Å; Y10-F53 AromaticContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CE2-CZ 4.17Å; Y10-F53 HydrophobicContact CG-CE1 4.06Å; Y10-I81 WeakPolarHBondContact O-CA 3.39Å; Y10-Q82 PolarHBondContact N-O 3.21Å; Y10-Q82 PolarHBondContact O-N 3.25Å |
| 11 | I | 98.1 | Very high | 93 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.9 | 179.3 | -47.6 | 173.7 | 0 | 0 | 0 | 108.1 | I9 I14 L27 F31 Q51 A52 V54 M79 R80 I81 | I9-I11 HydrophobicContact CD1-CD1 4.3Å; I9-I11 HydrophobicContact CD1-CG1 4.42Å; I9-I11 HydrophobicContact CG1-CG1 4.49Å; I11-I14 HydrophobicContact CB-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.81Å; I11-L27 HydrophobicContact CD1-CD2 4.15Å; I11-F31 HydrophobicContact CD1-CD2 4.4Å; I11-F31 HydrophobicContact CD1-CE1 4.31Å; I11-F31 HydrophobicContact CD1-CE2 3.45Å; I11-F31 VanDerWaalsContact CD1-CE2 3.45Å; I11-F31 HydrophobicContact CD1-CZ 3.39Å; I11-F31 HydrophobicContact CG1-CZ 4.44Å; I11-Q51 CarbonylContact O-C 3.59Å; I11-Q51 WeakPolarHBondContact O-CA 3.44Å; I11-A52 PolarHBondContact N-O 3.45Å; I11-A52 PolarHBondContact O-N 3.33Å; I11-V54 HydrophobicContact CD1-CG2 3.63Å; I11-M79 HydrophobicContact CG2-CB 3.87Å; I11-M79 HydrophobicContact CG2-CG 4.25Å; I11-M79 HydrophobicContact CG2-SD 4.06Å; I11-R80 CarbonylContact C-O 3.56Å; I11-R80 VanDerWaalsContact CA-O 3.3Å; I11-R80 WeakPolarHBondContact CA-O 3.43Å; I11-I81 HydrophobicContact CG1-CG1 4.33Å; I11-I81 HydrophobicContact CG1-CG2 4.44Å; I11-I81 HydrophobicContact CG2-CG1 4.34Å |
| 12 | N | 97.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 69 Ų | 69 | 21% | 0.214 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 179.6 | 170.3 | 70.7 | -10.9 | 0 | 0 | 0 | 111.9 | Y10 I14 Q51 R80 | Y10-N12 HydrophobicContact CE1-CB 3.83Å; Y10-N12 WeakPolarHBondContact OH-CB 3.46Å; N12-I14 VanDerWaalsContact C-N 3.26Å; N12-I14 PolarHBondContact O-N 3.39Å; N12-Q51 HydrophobicContact CB-CG 3.99Å; N12-R80 PolarHBondContact N-O 2.8Å; N12-R80 PolarHBondContact O-N 2.95Å; N12-R80 WeakPolarHBondContact OD1-CB 3.2Å; N12-R80 PolarHBondContact OD1-O 3Å |
| 13 | N | 97.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 63.7 | 24.9 | -172.1 | -162 | 38.1 | 0 | 0 | 0 | 114.8 | G50 K77 P78 | N13-G50 PolarHBondContact N-O 2.86Å; N13-K77 WeakPolarHBondContact O-CB 3.07Å; N13-K77 VanDerWaalsContact O-CE 3.24Å; N13-K77 WeakPolarHBondContact O-CE 3.24Å; N13-K77 PolarHBondContact O-NZ 3.4Å; N13-K77 WeakPolarHBondContact OD1-CE 3.2Å; N13-K77 PolarHBondContact OD1-NZ 3.03Å; N13-P78 PolarHBondContact ND2-O 2.9Å |
| 14 | I | 96.5 | Very high | 97 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -77.5 | 157.4 | 174.8 | -53 | 171.7 | 0 | 0 | 0 | 110.1 | I11 N12 D16 L23 L27 G50 A52 F74 K77 | I11-I14 HydrophobicContact CB-CD1 4.02Å; I11-I14 HydrophobicContact CG2-CD1 3.64Å; I11-I14 HydrophobicContact CG2-CG1 3.81Å; N12-I14 VanDerWaalsContact C-N 3.26Å; N12-I14 PolarHBondContact O-N 3.39Å; I14-D16 PolarHBondContact O-N 3.19Å; I14-L23 HydrophobicContact CG2-CD1 3.74Å; I14-L27 HydrophobicContact CD1-CD1 4.45Å; I14-G50 PolarHBondContact N-O 3.22Å; I14-G50 VanDerWaalsContact N-O 3.08Å; I14-A52 HydrophobicContact CD1-CB 3.95Å; I14-F74 HydrophobicContact CG2-CD1 3.86Å; I14-F74 HydrophobicContact CG2-CE1 3.99Å; I14-K77 PolarHBondContact O-NZ 3.19Å | ||
| 15 | N | 95.9 | Very high | 97.2 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | trans | -67.1 | 116.8 | 170.8 | -171.2 | -20.1 | 0 | 0 | 0 | 110.8 | K17 I18 Y75 K77 | N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.05Å; N15-I18 HydrophobicContact CB-CG1 4.16Å; N15-Y75 PolarHBondContact ND2-O 2.9Å; N15-K77 HydrophobicContact CB-CD 4.21Å | ||
| 16 | D | 95.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 57 Ų | 57 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10 | -175.5 | 67.9 | -23.1 | 0 | 0 | 0 | 113.9 | I14 K44 R49 | I14-D16 PolarHBondContact O-N 3.19Å; D16-K44 PolarHBondContact O-NZ 2.89Å; D16-R49 HydrophobicContact CB-CB 4.08Å; D16-R49 HydrophobicContact CB-CG 4.38Å; D16-R49 WeakPolarHBondContact OD2-CD 3.14Å; D16-R49 IonicContact OD2-CZ 3.89Å; D16-R49 IonicContact OD2-NE 2.78Å; D16-R49 IonicContact OD2-NH1 3.58Å; D16-R49 PolarHBondContact OD2-NH1 3.39Å |
| 17 | K | 96.2 | Very high | 97.4 | Very high | 184 Ų | 184 | 56.5 Ų | 56.5 | 80% | 0.8 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23 | 177.5 | -59.2 | -176.7 | 179.1 | -178.8 | 0 | 113.8 | N15 | N15-K17 WeakPolarHBondContact OD1-CB 3.49Å; N15-K17 PolarHBondContact OD1-N 3.05Å |
| 18 | I | 96.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -66.2 | 140.1 | -178.8 | -53.4 | -55.6 | 0 | 0 | 0 | 110.8 | N15 E22 L23 K44 Y75 | N15-I18 HydrophobicContact CB-CG1 4.16Å; I18-E22 HydrophobicContact CG2-CB 4.07Å; I18-E22 HydrophobicContact CG2-CG 3.92Å; I18-L23 HydrophobicContact CG2-CB 4.15Å; I18-K44 WeakPolarHBondContact O-CE 3.45Å; I18-K44 PolarHBondContact O-NZ 2.94Å; I18-Y75 HydrophobicContact CD1-CD1 3.58Å; I18-Y75 HydrophobicContact CD1-CD2 4.46Å; I18-Y75 HydrophobicContact CD1-CE1 4Å; I18-Y75 HydrophobicContact CD1-CG 3.83Å; I18-Y75 HydrophobicContact CG1-CD1 4.01Å; I18-Y75 HydrophobicContact CG1-CD2 3.96Å; I18-Y75 HydrophobicContact CG1-CE1 4.43Å; I18-Y75 HydrophobicContact CG1-CE2 4.39Å; I18-Y75 HydrophobicContact CG1-CG 3.75Å; I18-Y75 HydrophobicContact CG2-CE2 4.27Å |
| 19 | K | 97.6 | Very high | 97.4 | Very high | 161 Ų | 161 | 64.3 Ų | 64.3 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | trans | -63 | 147.8 | 179.7 | -68.8 | 179.1 | -178.3 | 175.2 | 0 | 111.2 | E21 E22 L23 | K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.95Å; K19-E22 HydrophobicContact CB-CB 4.34Å; K19-E22 PolarHBondContact O-N 2.97Å; K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 3.21Å | ||
| 20 | K | 96.5 | Very high | 97.4 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.2 | -45.7 | -174.9 | 178.1 | -176.3 | 166.5 | -175.1 | 0 | 112.7 | K24 A42 K44 | K20-K24 PolarHBondContact O-N 3.43Å; K20-A42 WeakPolarHBondContact CE-O 2.99Å; K20-K44 HydrophobicContact CB-CG 4.01Å |
| 21 | E | 97.2 | Very high | 97.4 | Very high | 127 Ų | 127 | 63.5 Ų | 63.5 | 59% | 0.593 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.9 | -41.9 | -177 | -59.5 | -174.3 | 176.6 | 0 | 0 | 112.7 | K19 L23 K24 R25 | K19-E21 VanDerWaalsContact C-N 3.32Å; K19-E21 PolarHBondContact O-N 2.95Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-K24 PolarHBondContact O-N 2.82Å; E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE2-CZ 2.85Å; E21-R25 IonicContact OE2-NH1 3.33Å; E21-R25 PolarHBondContact OE2-NH1 3.42Å; E21-R25 IonicContact OE2-NH2 2.74Å; E21-R25 PolarHBondContact OE2-NH2 3.22Å |
| 22 | E | 97.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 174.9 | -177 | -178.9 | -178.6 | 0 | 0 | 110.7 | I18 K19 K24 R25 S26 | I18-E22 HydrophobicContact CG2-CB 4.07Å; I18-E22 HydrophobicContact CG2-CG 3.92Å; K19-E22 HydrophobicContact CB-CB 4.34Å; K19-E22 PolarHBondContact O-N 2.97Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.47Å; E22-R25 PolarHBondContact O-N 2.79Å; E22-R25 VanDerWaalsContact O-N 3.17Å; E22-S26 PolarHBondContact O-N 3.05Å; E22-S26 PolarHBondContact O-OG 3.06Å; E22-S26 VanDerWaalsContact O-OG 3.13Å |
| 23 | L | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 173.7 | 175.1 | 60.7 | 0 | 0 | 0 | 111.7 | I14 I18 K19 E21 L27 A42 F74 | I14-L23 HydrophobicContact CG2-CD1 3.74Å; I18-L23 HydrophobicContact CG2-CB 4.15Å; K19-L23 WeakPolarHBondContact O-CB 3.46Å; K19-L23 PolarHBondContact O-N 3.21Å; E21-L23 VanDerWaalsContact C-N 3.34Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 4.01Å; L23-L27 HydrophobicContact CG-CD1 3.97Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å; L23-A42 HydrophobicContact CD2-CB 4.18Å; L23-F74 HydrophobicContact CD1-CE1 3.67Å; L23-F74 HydrophobicContact CD1-CZ 4.3Å |
| 24 | K | 98.3 | Very high | 97.5 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.2 | -77.3 | -168.8 | 58.4 | 155.2 | 0 | 111.7 | K20 E21 E22 L27 Y28 D39 I40 A42 | K20-K24 PolarHBondContact O-N 3.43Å; E21-K24 PolarHBondContact O-N 2.82Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-K24 PolarHBondContact O-N 3.47Å; K24-L27 PolarHBondContact O-N 3.37Å; K24-Y28 WeakPolarHBondContact O-CB 3.49Å; K24-Y28 PolarHBondContact O-N 3.01Å; K24-D39 IonicContact NZ-OD1 3.5Å; K24-D39 PolarHBondContact NZ-OD1 2.89Å; K24-I40 WeakPolarHBondContact CE-O 3.29Å; K24-I40 HydrophobicContact CG-CB 4.44Å; K24-I40 HydrophobicContact CG-CG2 4.05Å; K24-I40 PolarHBondContact NZ-O 2.71Å; K24-I40 WeakPolarHBondContact O-CD1 3.47Å; K24-A42 HydrophobicContact CG-CB 4.32Å |
| 25 | R | 98.3 | Very high | 97.5 | Very high | 153 Ų | 153 | 68.9 Ų | 68.9 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 179.5 | -78.3 | -172.9 | -88.5 | -94.1 | 3.1 | 111.9 | E21 E22 Y28 A29 | E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 WeakPolarHBondContact O-CG 3.29Å; E21-R25 PolarHBondContact O-N 2.91Å; E21-R25 IonicContact OE2-CZ 2.85Å; E21-R25 IonicContact OE2-NH1 3.33Å; E21-R25 PolarHBondContact OE2-NH1 3.42Å; E21-R25 IonicContact OE2-NH2 2.74Å; E21-R25 PolarHBondContact OE2-NH2 3.22Å; E22-R25 PolarHBondContact O-N 2.79Å; E22-R25 VanDerWaalsContact O-N 3.17Å; R25-Y28 WeakPolarHBondContact O-CB 3.49Å; R25-Y28 PolarHBondContact O-N 2.87Å; R25-A29 PolarHBondContact O-N 2.81Å |
| 26 | S | 98.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | E22 Y28 A29 L30 Y75 | E22-S26 PolarHBondContact O-N 3.05Å; E22-S26 PolarHBondContact O-OG 3.06Å; E22-S26 VanDerWaalsContact O-OG 3.13Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; S26-A29 PolarHBondContact O-N 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.13Å; S26-L30 PolarHBondContact O-N 3.38Å; S26-Y75 WeakPolarHBondContact CB-OH 2.94Å; S26-Y75 PolarHBondContact OG-OH 3.45Å |
| 27 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 171.9 | -73.5 | 172 | 0 | 0 | 0 | 110.6 | I11 I14 L23 K24 L30 F31 I40 A52 F74 | I11-L27 HydrophobicContact CD1-CD2 4.15Å; I14-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 HydrophobicContact CD1-CD1 3.77Å; L23-L27 HydrophobicContact CD1-CG 4.01Å; L23-L27 HydrophobicContact CG-CD1 3.97Å; L23-L27 WeakPolarHBondContact O-CB 3.36Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å; K24-L27 PolarHBondContact O-N 3.37Å; L27-L30 PolarHBondContact O-N 3.38Å; L27-F31 HydrophobicContact CB-CD2 4.49Å; L27-F31 HydrophobicContact CD2-CD2 4.16Å; L27-F31 HydrophobicContact CD2-CE2 3.77Å; L27-F31 WeakPolarHBondContact O-CB 3.46Å; L27-F31 VanDerWaalsContact O-CD2 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.08Å; L27-F31 PolarHBondContact O-N 2.98Å; L27-I40 HydrophobicContact CB-CD1 3.89Å; L27-I40 HydrophobicContact CB-CG2 4.5Å; L27-I40 HydrophobicContact CD1-CG2 4.13Å; L27-A52 HydrophobicContact CD1-CB 3.6Å; L27-F74 HydrophobicContact CD2-CE1 3.82Å; L27-F74 HydrophobicContact CD2-CE2 4.47Å; L27-F74 HydrophobicContact CD2-CZ 3.79Å; L27-F74 HydrophobicContact CG-CE1 4.11Å; L27-F74 HydrophobicContact CG-CZ 3.91Å |
| 28 | Y | 98.6 | Very high | 97.7 | Very high | 111 Ų | 111 | 63.6 Ų | 63.6 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175.8 | -175.1 | -91.6 | 0 | 0 | 0 | 111.6 | K24 R25 S26 L30 F31 S32 V37 I40 | K24-Y28 WeakPolarHBondContact O-CB 3.49Å; K24-Y28 PolarHBondContact O-N 3.01Å; R25-Y28 WeakPolarHBondContact O-CB 3.49Å; R25-Y28 PolarHBondContact O-N 2.87Å; S26-Y28 VanDerWaalsContact C-N 3.31Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; Y28-F31 PolarHBondContact O-N 3.34Å; Y28-S32 WeakPolarHBondContact CE1-OG 3.43Å; Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.27Å; Y28-S32 PolarHBondContact O-OG 3.34Å; Y28-V37 HydrophobicContact CD2-CB 3.99Å; Y28-V37 HydrophobicContact CD2-CG1 4.03Å; Y28-V37 HydrophobicContact CE2-CB 3.93Å; Y28-V37 HydrophobicContact CE2-CG1 4.35Å; Y28-I40 HydrophobicContact CD2-CD1 4.3Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å |
| 29 | A | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 60% | 0.595 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.3 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R25 S26 | R25-A29 PolarHBondContact O-N 2.81Å; S26-A29 PolarHBondContact O-N 3.28Å |
| 30 | L | 98 | Very high | 97.8 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.9 | -47.9 | 179.6 | -179.1 | 65.2 | 0 | 0 | 0 | 112.1 | S26 L27 Y28 Q33 L69 F72 F74 M79 | S26-L30 WeakPolarHBondContact O-CB 3.13Å; S26-L30 PolarHBondContact O-N 3.38Å; L27-L30 PolarHBondContact O-N 3.38Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 3.21Å; L30-Q33 VanDerWaalsContact O-CG 3.31Å; L30-Q33 WeakPolarHBondContact O-CG 3.37Å; L30-Q33 PolarHBondContact O-NE2 3.11Å; L30-L69 HydrophobicContact CD1-CD1 4.36Å; L30-L69 HydrophobicContact CD1-CD2 4.33Å; L30-L69 HydrophobicContact CD2-CD1 3.95Å; L30-L69 HydrophobicContact CG-CD1 3.86Å; L30-F72 HydrophobicContact CD1-CE1 4.18Å; L30-F72 HydrophobicContact CD1-CZ 4.29Å; L30-F72 HydrophobicContact CD2-CD1 4.16Å; L30-F72 HydrophobicContact CD2-CE1 4.12Å; L30-F74 HydrophobicContact CD2-CD2 3.96Å; L30-F74 HydrophobicContact CD2-CE2 4.2Å; L30-M79 HydrophobicContact CD2-CE 3.52Å |
| 31 | F | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.2 | -18.6 | -172.1 | -79.4 | -83.9 | 0 | 0 | 0 | 114 | I9 I11 L27 Y28 Q33 F34 V37 V54 F56 A65 L69 M79 I81 | I9-F31 HydrophobicContact CD1-CD1 3.75Å; I9-F31 HydrophobicContact CD1-CE1 3.27Å; I9-F31 HydrophobicContact CD1-CZ 3.93Å; I11-F31 HydrophobicContact CD1-CD2 4.4Å; I11-F31 HydrophobicContact CD1-CE1 4.31Å; I11-F31 HydrophobicContact CD1-CE2 3.45Å; I11-F31 VanDerWaalsContact CD1-CE2 3.45Å; I11-F31 HydrophobicContact CD1-CZ 3.39Å; I11-F31 HydrophobicContact CG1-CZ 4.44Å; L27-F31 HydrophobicContact CB-CD2 4.49Å; L27-F31 HydrophobicContact CD2-CD2 4.16Å; L27-F31 HydrophobicContact CD2-CE2 3.77Å; L27-F31 WeakPolarHBondContact O-CB 3.46Å; L27-F31 VanDerWaalsContact O-CD2 3.29Å; L27-F31 WeakPolarHBondContact O-CD2 3.08Å; L27-F31 PolarHBondContact O-N 2.98Å; Y28-F31 PolarHBondContact O-N 3.34Å; F31-Q33 PolarHBondContact O-N 2.9Å; F31-Q33 VanDerWaalsContact O-N 3.14Å; F31-F34 HydrophobicContact CD1-CD2 4.38Å; F31-F34 PolarHBondContact O-N 2.92Å; F31-F34 VanDerWaalsContact O-N 3.12Å; F31-V37 HydrophobicContact CB-CG2 4.03Å; F31-V54 HydrophobicContact CB-CG1 4Å; F31-V54 HydrophobicContact CD2-CG2 4.13Å; F31-V54 HydrophobicContact CE2-CG2 4.37Å; F31-V54 HydrophobicContact CG-CG1 4.1Å; F31-V54 HydrophobicContact CG-CG2 4.44Å; F31-F56 HydrophobicContact CB-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CE2 4.12Å; F31-F56 AromaticContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CG-CZ 4.29Å; F31-F56 WeakPolarHBondContact O-CE1 3.31Å; F31-A65 HydrophobicContact CD1-CB 3.81Å; F31-A65 HydrophobicContact CE1-CB 3.96Å; F31-L69 HydrophobicContact CD1-CD1 3.84Å; F31-L69 HydrophobicContact CD2-CD1 4.49Å; F31-L69 HydrophobicContact CE1-CD1 3.44Å; F31-L69 VanDerWaalsContact CE1-CD1 3.44Å; F31-L69 HydrophobicContact CE2-CD1 4.13Å; F31-L69 HydrophobicContact CG-CD1 4.37Å; F31-L69 HydrophobicContact CZ-CD1 3.6Å; F31-M79 HydrophobicContact CE2-SD 4.23Å; F31-M79 HydrophobicContact CZ-SD 4.01Å; F31-I81 HydrophobicContact CE1-CD1 4.14Å; F31-I81 HydrophobicContact CZ-CD1 3.89Å |
| 32 | S | 97.9 | Very high | 97.7 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -61.3 | -21.8 | 177.7 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | Y28 F34 G35 | Y28-S32 WeakPolarHBondContact CE1-OG 3.43Å; Y28-S32 VanDerWaalsContact O-CB 3.27Å; Y28-S32 WeakPolarHBondContact O-CB 3.39Å; Y28-S32 PolarHBondContact O-N 3.27Å; Y28-S32 PolarHBondContact O-OG 3.34Å; S32-F34 PolarHBondContact O-N 3.09Å; S32-G35 PolarHBondContact O-N 3.09Å |
| 33 | Q | 97.4 | Very high | 97.6 | Very high | 129 Ų | 129 | 50 Ų | 50 | 60% | 0.603 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.4 | 176.6 | 75.5 | -172.4 | -83 | 0 | 0 | 113.4 | L30 F31 | L30-Q33 VanDerWaalsContact O-CG 3.31Å; L30-Q33 WeakPolarHBondContact O-CG 3.37Å; L30-Q33 PolarHBondContact O-NE2 3.11Å; F31-Q33 PolarHBondContact O-N 2.9Å; F31-Q33 VanDerWaalsContact O-N 3.14Å |
| 34 | F | 98.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -94.1 | -13.3 | -178.9 | -55.9 | -76.4 | 0 | 0 | 0 | 113.1 | F31 S32 F56 S61 N64 A65 Q68 L69 | F31-F34 HydrophobicContact CD1-CD2 4.38Å; F31-F34 PolarHBondContact O-N 2.92Å; F31-F34 VanDerWaalsContact O-N 3.12Å; S32-F34 PolarHBondContact O-N 3.09Å; F34-F56 HydrophobicContact CB-CE1 4.27Å; F34-F56 HydrophobicContact CB-CZ 4.36Å; F34-S61 WeakPolarHBondContact O-CB 3.31Å; F34-S61 PolarHBondContact O-OG 3.45Å; F34-N64 HydrophobicContact CD1-CB 4.46Å; F34-A65 HydrophobicContact CB-CB 3.93Å; F34-A65 HydrophobicContact CD1-CB 4.3Å; F34-A65 HydrophobicContact CD2-CB 3.64Å; F34-A65 HydrophobicContact CE2-CB 4.29Å; F34-A65 HydrophobicContact CG-CB 3.66Å; F34-Q68 HydrophobicContact CE1-CB 3.78Å; F34-Q68 HydrophobicContact CE1-CG 4.13Å; F34-Q68 HydrophobicContact CZ-CB 4.07Å; F34-L69 HydrophobicContact CD2-CD1 4.28Å; F34-L69 HydrophobicContact CE2-CD1 3.36Å; F34-L69 HydrophobicContact CE2-CD2 4.28Å; F34-L69 HydrophobicContact CE2-CG 3.69Å; F34-L69 HydrophobicContact CZ-CD1 3.94Å; F34-L69 HydrophobicContact CZ-CD2 4.09Å; F34-L69 HydrophobicContact CZ-CG 3.7Å |
| 35 | G | 97.3 | Very high | 97.2 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 150.4 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S32 V37 | S32-G35 PolarHBondContact O-N 3.09Å; G35-V37 PolarHBondContact O-N 3.43Å |
| 36 | H | 97.6 | Very high | 96.8 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | trans | -67.7 | 113.9 | -176 | -176 | -115.1 | 0 | 0 | 0 | 111.9 | K57 | H36-K57 HydrophobicContact CB-CB 4.24Å; H36-K57 PolarHBondContact O-N 3.31Å | ||
| 37 | V | 98 | Very high | 96.5 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 117.9 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | Y28 F31 G35 I40 V54 I55 F56 | Y28-V37 HydrophobicContact CD2-CB 3.99Å; Y28-V37 HydrophobicContact CD2-CG1 4.03Å; Y28-V37 HydrophobicContact CE2-CB 3.93Å; Y28-V37 HydrophobicContact CE2-CG1 4.35Å; F31-V37 HydrophobicContact CB-CG2 4.03Å; G35-V37 PolarHBondContact O-N 3.43Å; V37-I40 HydrophobicContact CG1-CD1 4.11Å; V37-I40 HydrophobicContact CG1-CG1 3.74Å; V37-V54 HydrophobicContact CG1-CG1 3.84Å; V37-V54 HydrophobicContact CG2-CG1 4.11Å; V37-I55 CarbonylContact C-O 3.55Å; V37-F56 HydrophobicContact CG2-CD1 4.1Å; V37-F56 HydrophobicContact CG2-CE1 3.69Å; V37-F56 HydrophobicContact CG2-CZ 4.18Å |
| 38 | V | 96.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.279 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -46.3 | -177.2 | -177.4 | 0 | 0 | 0 | 0 | 111 | I55 K57 I90 | V38-I55 HydrophobicContact CB-CG2 4.36Å; V38-I55 PolarHBondContact N-O 3.04Å; V38-K57 HydrophobicContact CG2-CB 3.79Å; V38-I90 HydrophobicContact CG1-CD1 3.39Å; V38-I90 HydrophobicContact CG1-CG1 3.86Å; V38-I90 HydrophobicContact CG1-CG2 4.33Å |
| 39 | D | 97.3 | Very high | 96.1 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 161.6 | 175.8 | -173.4 | 23.8 | 0 | 0 | 0 | 110.6 | K24 I55 | K24-D39 IonicContact NZ-OD1 3.5Å; K24-D39 PolarHBondContact NZ-OD1 2.89Å; D39-I55 HydrophobicContact CB-CD1 4.21Å; D39-I55 WeakPolarHBondContact O-CB 3.44Å; D39-I55 PolarHBondContact O-N 2.8Å |
| 40 | I | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.5 | 175.3 | -60.8 | 173.2 | 0 | 0 | 0 | 109.1 | K24 L27 Y28 V37 F53 V54 | K24-I40 WeakPolarHBondContact CE-O 3.29Å; K24-I40 HydrophobicContact CG-CB 4.44Å; K24-I40 HydrophobicContact CG-CG2 4.05Å; K24-I40 PolarHBondContact NZ-O 2.71Å; K24-I40 WeakPolarHBondContact O-CD1 3.47Å; L27-I40 HydrophobicContact CB-CD1 3.89Å; L27-I40 HydrophobicContact CB-CG2 4.5Å; L27-I40 HydrophobicContact CD1-CG2 4.13Å; Y28-I40 HydrophobicContact CD2-CD1 4.3Å; Y28-I40 VanDerWaalsContact N-CD1 3.29Å; V37-I40 HydrophobicContact CG1-CD1 4.11Å; V37-I40 HydrophobicContact CG1-CG1 3.74Å; I40-F53 CarbonylContact C-O 3.42Å; I40-F53 VanDerWaalsContact CA-O 3.3Å; I40-F53 WeakPolarHBondContact CA-O 3.37Å; I40-V54 HydrophobicContact CG1-CG1 4.28Å; I40-V54 HydrophobicContact CG1-CG2 4.28Å; I40-V54 HydrophobicContact CG2-CG2 4.42Å |
| 41 | V | 97 | Very high | 96 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 113.9 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | A52 F53 I55 | V41-A52 CarbonylContact O-C 3.56Å; V41-A52 WeakPolarHBondContact O-CA 3.21Å; V41-F53 HydrophobicContact CB-CB 4.25Å; V41-F53 HydrophobicContact CB-CD2 4.49Å; V41-F53 PolarHBondContact N-O 2.68Å; V41-F53 PolarHBondContact O-N 2.91Å; V41-I55 HydrophobicContact CG2-CD1 4.25Å |
| 42 | A | 96 | Very high | 96 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | K20 L23 K24 A52 | K20-A42 WeakPolarHBondContact CE-O 2.99Å; L23-A42 HydrophobicContact CD2-CB 4.18Å; K24-A42 HydrophobicContact CG-CB 4.32Å; A42-A52 HydrophobicContact CB-CB 4.22Å |
| 43 | L | 93.7 | Very high | 96 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | trans | -128 | 149.9 | 179.5 | -63.8 | 174.8 | 0 | 0 | 0 | 109.7 | M48 | L43-M48 HydrophobicContact CB-CB 3.66Å; L43-M48 HydrophobicContact CB-CG 4.19Å; L43-M48 HydrophobicContact CD1-CG 4.14Å; L43-M48 CarbonylContact O-C 3.58Å | ||
| 44 | K | 93.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 54.6 Ų | 54.6 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | trans | -101.5 | 10.9 | -179.8 | -68.9 | -61 | -165.6 | 178.7 | 0 | 113.7 | D16 I18 K20 | D16-K44 PolarHBondContact O-NZ 2.89Å; I18-K44 WeakPolarHBondContact O-CE 3.45Å; I18-K44 PolarHBondContact O-NZ 2.94Å; K20-K44 HydrophobicContact CB-CG 4.01Å | ||
| 45 | T | 94.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -67.9 | 155.3 | 175.4 | 61 | 0 | 0 | 0 | 0 | 110.4 | K47 M48 R49 | T45-K47 PolarHBondContact O-N 3.4Å; T45-K47 VanDerWaalsContact O-N 3.08Å; T45-M48 CarbonylContact O-C 3.54Å; T45-M48 PolarHBondContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CB 3.36Å; T45-R49 WeakPolarHBondContact O-CB 3.37Å; T45-R49 PolarHBondContact O-N 3.15Å |
| 46 | M | 90 | Very high | 96.1 | Very high | 153 Ų | 153 | 52.9 Ų | 52.9 | 75% | 0.754 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -35.8 | -178.1 | -70.4 | -64.3 | -92.5 | 0 | 0 | 113.4 | ||
| 47 | K | 92.6 | Very high | 96.1 | Very high | 170 Ų | 170 | 52 Ų | 52 | 74% | 0.739 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -29 | 178.2 | -175.1 | 173.3 | 178.8 | 173.7 | 0 | 113.8 | T45 Q51 | T45-K47 PolarHBondContact O-N 3.4Å; T45-K47 VanDerWaalsContact O-N 3.08Å; K47-Q51 PolarHBondContact O-NE2 3.06Å |
| 48 | M | 93.8 | Very high | 96 | Very high | 40 Ų | 40 | 56.8 Ų | 56.8 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -8.9 | -170.1 | -64.2 | -58.2 | -56.2 | 0 | 0 | 114.2 | L43 T45 Q51 F53 | L43-M48 HydrophobicContact CB-CB 3.66Å; L43-M48 HydrophobicContact CB-CG 4.19Å; L43-M48 HydrophobicContact CD1-CG 4.14Å; L43-M48 CarbonylContact O-C 3.58Å; T45-M48 CarbonylContact O-C 3.54Å; T45-M48 PolarHBondContact O-N 3.12Å; T45-M48 WeakPolarHBondContact OG1-CB 3.36Å; M48-Q51 WeakPolarHBondContact O-CB 3.32Å; M48-Q51 PolarHBondContact O-N 3.46Å; M48-F53 HydrophobicContact CE-CE2 3.79Å |
| 49 | R | 94.8 | Very high | 96 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 144 | 177.2 | 69.8 | -178.9 | -179.5 | 138.8 | -11.8 | 110.3 | D16 T45 Q51 | D16-R49 HydrophobicContact CB-CB 4.08Å; D16-R49 HydrophobicContact CB-CG 4.38Å; D16-R49 WeakPolarHBondContact OD2-CD 3.14Å; D16-R49 IonicContact OD2-CZ 3.89Å; D16-R49 IonicContact OD2-NE 2.78Å; D16-R49 IonicContact OD2-NH1 3.58Å; D16-R49 PolarHBondContact OD2-NH1 3.39Å; T45-R49 WeakPolarHBondContact O-CB 3.37Å; T45-R49 PolarHBondContact O-N 3.15Å; R49-Q51 PolarHBondContact O-N 3.44Å |
| 50 | G | 96 | Very high | 96.1 | Very high | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 11.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N13 I14 | N13-G50 PolarHBondContact N-O 2.86Å; I14-G50 PolarHBondContact N-O 3.22Å; I14-G50 VanDerWaalsContact N-O 3.08Å |
| 51 | Q | 97.9 | Very high | 96.1 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | trans | -129.7 | 151.4 | 179.5 | -58.7 | 164.3 | 68.5 | 0 | 0 | 111.4 | Y10 I11 N12 K47 M48 R49 | Y10-Q51 HydrophobicContact CE2-CB 3.99Å; Y10-Q51 HydrophobicContact CE2-CG 4.08Å; Y10-Q51 VanDerWaalsContact OH-CD 3.26Å; Y10-Q51 PolarHBondContact OH-OE1 2.89Å; I11-Q51 CarbonylContact O-C 3.59Å; I11-Q51 WeakPolarHBondContact O-CA 3.44Å; N12-Q51 HydrophobicContact CB-CG 3.99Å; K47-Q51 PolarHBondContact O-NE2 3.06Å; M48-Q51 WeakPolarHBondContact O-CB 3.32Å; M48-Q51 PolarHBondContact O-N 3.46Å; R49-Q51 PolarHBondContact O-N 3.44Å | ||
| 52 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | I11 I14 L27 V41 A42 | I11-A52 PolarHBondContact N-O 3.45Å; I11-A52 PolarHBondContact O-N 3.33Å; I14-A52 HydrophobicContact CD1-CB 3.95Å; L27-A52 HydrophobicContact CD1-CB 3.6Å; V41-A52 CarbonylContact O-C 3.56Å; V41-A52 WeakPolarHBondContact O-CA 3.21Å; A42-A52 HydrophobicContact CB-CB 4.22Å |
| 53 | F | 98.4 | Very high | 96.2 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.3 | 165.6 | -62.8 | -90.4 | 0 | 0 | 0 | 108.7 | T8 I9 Y10 I40 V41 M48 A84 | T8-F53 HydrophobicContact CG2-CB 3.84Å; T8-F53 HydrophobicContact CG2-CD1 3.91Å; T8-F53 HydrophobicContact CG2-CG 4.33Å; I9-F53 VanDerWaalsContact O-CA 3.29Å; I9-F53 WeakPolarHBondContact O-CA 3.27Å; Y10-F53 HydrophobicContact CD2-CD1 4.1Å; Y10-F53 AromaticContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE1 3.53Å; Y10-F53 HydrophobicContact CD2-CE2 4.23Å; Y10-F53 AromaticContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CD2-CZ 3.61Å; Y10-F53 HydrophobicContact CE2-CZ 4.17Å; Y10-F53 HydrophobicContact CG-CE1 4.06Å; I40-F53 CarbonylContact C-O 3.42Å; I40-F53 VanDerWaalsContact CA-O 3.3Å; I40-F53 WeakPolarHBondContact CA-O 3.37Å; V41-F53 HydrophobicContact CB-CB 4.25Å; V41-F53 HydrophobicContact CB-CD2 4.49Å; V41-F53 PolarHBondContact N-O 2.68Å; V41-F53 PolarHBondContact O-N 2.91Å; M48-F53 HydrophobicContact CE-CE2 3.79Å; F53-A84 HydrophobicContact CD1-CB 4.32Å; F53-A84 HydrophobicContact CE1-CB 4.36Å |
| 54 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | T8 I9 I11 F31 V37 I40 F56 | T8-V54 WeakPolarHBondContact CA-O 3.41Å; I9-V54 HydrophobicContact CD1-CB 4.14Å; I9-V54 HydrophobicContact CG1-CB 3.79Å; I9-V54 PolarHBondContact N-O 3.03Å; I9-V54 PolarHBondContact O-N 3.36Å; I11-V54 HydrophobicContact CD1-CG2 3.63Å; F31-V54 HydrophobicContact CB-CG1 4Å; F31-V54 HydrophobicContact CD2-CG2 4.13Å; F31-V54 HydrophobicContact CE2-CG2 4.37Å; F31-V54 HydrophobicContact CG-CG1 4.1Å; F31-V54 HydrophobicContact CG-CG2 4.44Å; V37-V54 HydrophobicContact CG1-CG1 3.84Å; V37-V54 HydrophobicContact CG2-CG1 4.11Å; I40-V54 HydrophobicContact CG1-CG1 4.28Å; I40-V54 HydrophobicContact CG1-CG2 4.28Å; I40-V54 HydrophobicContact CG2-CG2 4.42Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE2 3.91Å; V54-F56 HydrophobicContact CG1-CZ 4.26Å |
| 55 | I | 98.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.9 | -172.6 | -55 | 164.4 | 0 | 0 | 0 | 108.1 | T8 V37 V38 D39 V41 I90 I91 | T8-I55 HydrophobicContact CG2-CG1 3.82Å; V37-I55 CarbonylContact C-O 3.55Å; V38-I55 HydrophobicContact CB-CG2 4.36Å; V38-I55 PolarHBondContact N-O 3.04Å; D39-I55 HydrophobicContact CB-CD1 4.21Å; D39-I55 WeakPolarHBondContact O-CB 3.44Å; D39-I55 PolarHBondContact O-N 2.8Å; V41-I55 HydrophobicContact CG2-CD1 4.25Å; I55-I90 HydrophobicContact CD1-CG2 3.89Å; I55-I90 HydrophobicContact CG2-CG2 3.78Å; I55-I91 HydrophobicContact CG2-CD1 3.68Å; I55-I91 HydrophobicContact CG2-CG1 3.61Å |
| 56 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 152.9 | 175.5 | -74.1 | -84 | 0 | 0 | 0 | 111.8 | H7 I9 F31 F34 V37 V54 A65 | H7-F56 PolarHBondContact O-N 3.33Å; I9-F56 HydrophobicContact CD1-CE2 3.91Å; I9-F56 HydrophobicContact CG1-CE2 4.28Å; F31-F56 HydrophobicContact CB-CZ 3.85Å; F31-F56 HydrophobicContact CD1-CE2 4.12Å; F31-F56 AromaticContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CD1-CZ 3.83Å; F31-F56 HydrophobicContact CG-CZ 4.29Å; F31-F56 WeakPolarHBondContact O-CE1 3.31Å; F34-F56 HydrophobicContact CB-CE1 4.27Å; F34-F56 HydrophobicContact CB-CZ 4.36Å; V37-F56 HydrophobicContact CG2-CD1 4.1Å; V37-F56 HydrophobicContact CG2-CE1 3.69Å; V37-F56 HydrophobicContact CG2-CZ 4.18Å; V54-F56 HydrophobicContact CG1-CD2 4.4Å; V54-F56 HydrophobicContact CG1-CE2 3.91Å; V54-F56 HydrophobicContact CG1-CZ 4.26Å; F56-A65 HydrophobicContact CE2-CB 4Å; F56-A65 HydrophobicContact CZ-CB 3.87Å |
| 57 | K | 95.9 | Very high | 97.1 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -69 | -40.7 | 170 | -174.8 | 178 | 171.5 | -177.6 | 0 | 111.3 | H7 H36 V38 M94 | H7-K57 PolarHBondContact CD2-O 3.4Å; H36-K57 HydrophobicContact CB-CB 4.24Å; H36-K57 PolarHBondContact O-N 3.31Å; V38-K57 HydrophobicContact CG2-CB 3.79Å; K57-M94 HydrophobicContact CG-CE 4.24Å |
| 58 | E | 97.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -108 | 138.7 | -176 | -60.2 | -56.3 | 142.7 | 0 | 0 | 112 | G60 S61 S62 | E58-G60 VanDerWaalsContact C-N 3.31Å; E58-G60 PolarHBondContact O-N 3.26Å; E58-S61 PolarHBondContact O-N 3.37Å; E58-S62 PolarHBondContact O-N 3.48Å |
| 59 | L | 96.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 48.2 Ų | 48.2 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -35.9 | 177.1 | -174.2 | 63.5 | 0 | 0 | 0 | 112.2 | P5 S61 S62 T63 | P5-L59 HydrophobicContact CB-CD1 4.02Å; P5-L59 HydrophobicContact CB-CD2 4.36Å; P5-L59 HydrophobicContact CB-CG 4.45Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.17Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 3.11Å; L59-T63 PolarHBondContact O-N 2.82Å; L59-T63 PolarHBondContact O-OG1 2.77Å; L59-T63 VanDerWaalsContact O-OG1 3.12Å |
| 60 | G | 98 | Very high | 97.7 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 54% | 0.536 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E58 S62 T63 N64 | E58-G60 VanDerWaalsContact C-N 3.31Å; E58-G60 PolarHBondContact O-N 3.26Å; G60-S62 PolarHBondContact O-N 2.86Å; G60-T63 PolarHBondContact O-N 2.84Å; G60-N64 WeakPolarHBondContact O-CB 3.43Å; G60-N64 PolarHBondContact O-N 2.86Å |
| 61 | S | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177.9 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | F34 E58 L59 T63 N64 A65 | F34-S61 WeakPolarHBondContact O-CB 3.31Å; F34-S61 PolarHBondContact O-OG 3.45Å; E58-S61 PolarHBondContact O-N 3.37Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 3.17Å; S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 2.94Å; S61-N64 PolarHBondContact O-N 3.03Å; S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.46Å; S61-A65 PolarHBondContact O-N 3.44Å |
| 62 | S | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | N6 E58 L59 G60 L66 | N6-S62 WeakPolarHBondContact O-CB 3.35Å; N6-S62 PolarHBondContact O-OG 3.24Å; E58-S62 PolarHBondContact O-N 3.48Å; L59-S62 PolarHBondContact O-N 2.93Å; L59-S62 PolarHBondContact O-OG 3.11Å; G60-S62 PolarHBondContact O-N 2.86Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.32Å |
| 63 | T | 98.1 | Very high | 97.7 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.5 | -42.4 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | L59 G60 S61 R67 Y83 | L59-T63 PolarHBondContact O-N 2.82Å; L59-T63 PolarHBondContact O-OG1 2.77Å; L59-T63 VanDerWaalsContact O-OG1 3.12Å; G60-T63 PolarHBondContact O-N 2.84Å; S61-T63 VanDerWaalsContact C-N 3.31Å; S61-T63 PolarHBondContact O-N 2.94Å; T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 2.84Å; T63-Y83 WeakPolarHBondContact CA-OH 3.32Å; T63-Y83 VanDerWaalsContact CB-OH 3.25Å; T63-Y83 WeakPolarHBondContact CB-OH 3.03Å; T63-Y83 VanDerWaalsContact CG2-OH 3.25Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.14Å; T63-Y83 PolarHBondContact OG1-OH 2.82Å |
| 64 | N | 98.2 | Very high | 97.6 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 178.3 | -164.2 | 18.8 | 0 | 0 | 0 | 111.2 | F34 G60 S61 L66 R67 Q68 | F34-N64 HydrophobicContact CD1-CB 4.46Å; G60-N64 WeakPolarHBondContact O-CB 3.43Å; G60-N64 PolarHBondContact O-N 2.86Å; S61-N64 PolarHBondContact O-N 3.03Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.74Å; N64-R67 PolarHBondContact O-N 3Å; N64-Q68 PolarHBondContact ND2-NE2 2.84Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.45Å; N64-Q68 PolarHBondContact OD1-NE2 3.34Å |
| 65 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I9 F31 F34 F56 S61 R67 Q68 L69 | I9-A65 HydrophobicContact CD1-CB 4.44Å; F31-A65 HydrophobicContact CD1-CB 3.81Å; F31-A65 HydrophobicContact CE1-CB 3.96Å; F34-A65 HydrophobicContact CB-CB 3.93Å; F34-A65 HydrophobicContact CD1-CB 4.3Å; F34-A65 HydrophobicContact CD2-CB 3.64Å; F34-A65 HydrophobicContact CE2-CB 4.29Å; F34-A65 HydrophobicContact CG-CB 3.66Å; F56-A65 HydrophobicContact CE2-CB 4Å; F56-A65 HydrophobicContact CZ-CB 3.87Å; S61-A65 VanDerWaalsContact O-CB 3.29Å; S61-A65 WeakPolarHBondContact O-CB 3.46Å; S61-A65 PolarHBondContact O-N 3.44Å; A65-R67 PolarHBondContact O-N 3.29Å; A65-Q68 PolarHBondContact O-N 2.88Å; A65-L69 WeakPolarHBondContact O-CB 3.21Å; A65-L69 PolarHBondContact O-N 3.19Å |
| 66 | L | 97.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.9 | -177.8 | 155.3 | 0 | 0 | 0 | 111.8 | I9 S62 N64 Q70 I81 Y83 | I9-L66 HydrophobicContact CG2-CB 4.46Å; S62-L66 WeakPolarHBondContact O-CB 3.39Å; S62-L66 PolarHBondContact O-N 3.32Å; N64-L66 VanDerWaalsContact C-N 3.33Å; N64-L66 PolarHBondContact O-N 2.74Å; L66-Q70 WeakPolarHBondContact O-CB 3.41Å; L66-Q70 PolarHBondContact O-N 3.15Å; L66-I81 HydrophobicContact CB-CG2 4.09Å; L66-I81 HydrophobicContact CD1-CG2 4.24Å; L66-I81 HydrophobicContact CG-CB 4.36Å; L66-I81 HydrophobicContact CG-CG2 3.93Å; L66-Y83 HydrophobicContact CD1-CD1 4.13Å; L66-Y83 HydrophobicContact CD1-CD2 4Å; L66-Y83 HydrophobicContact CD1-CE1 4.13Å; L66-Y83 HydrophobicContact CD1-CE2 3.96Å; L66-Y83 HydrophobicContact CD1-CG 4.08Å |
| 67 | R | 96.8 | Very high | 97.3 | Very high | 202 Ų | 202 | 64.1 Ų | 64.1 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.7 | -42.2 | -178.9 | -71.8 | -178.6 | 178 | -153.6 | -0.5 | 112.3 | T63 N64 A65 | T63-R67 WeakPolarHBondContact O-CG 3.27Å; T63-R67 PolarHBondContact O-N 2.84Å; N64-R67 PolarHBondContact O-N 3Å; A65-R67 PolarHBondContact O-N 3.29Å |
| 68 | Q | 97.6 | Very high | 97.4 | Very high | 116 Ų | 116 | 63 Ų | 63 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -81.3 | -33.1 | -173.8 | -67.4 | -164.4 | 44.1 | 0 | 0 | 113.8 | F34 N64 A65 | F34-Q68 HydrophobicContact CE1-CB 3.78Å; F34-Q68 HydrophobicContact CE1-CG 4.13Å; F34-Q68 HydrophobicContact CZ-CB 4.07Å; N64-Q68 PolarHBondContact ND2-NE2 2.84Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.45Å; N64-Q68 PolarHBondContact OD1-NE2 3.34Å; A65-Q68 PolarHBondContact O-N 2.88Å |
| 69 | L | 97.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -100.5 | 9.5 | -176.6 | -64.6 | -177.7 | 0 | 0 | 0 | 114 | L30 F31 F34 A65 G71 F72 I81 | L30-L69 HydrophobicContact CD1-CD1 4.36Å; L30-L69 HydrophobicContact CD1-CD2 4.33Å; L30-L69 HydrophobicContact CD2-CD1 3.95Å; L30-L69 HydrophobicContact CG-CD1 3.86Å; F31-L69 HydrophobicContact CD1-CD1 3.84Å; F31-L69 HydrophobicContact CD2-CD1 4.49Å; F31-L69 HydrophobicContact CE1-CD1 3.44Å; F31-L69 VanDerWaalsContact CE1-CD1 3.44Å; F31-L69 HydrophobicContact CE2-CD1 4.13Å; F31-L69 HydrophobicContact CG-CD1 4.37Å; F31-L69 HydrophobicContact CZ-CD1 3.6Å; F34-L69 HydrophobicContact CD2-CD1 4.28Å; F34-L69 HydrophobicContact CE2-CD1 3.36Å; F34-L69 HydrophobicContact CE2-CD2 4.28Å; F34-L69 HydrophobicContact CE2-CG 3.69Å; F34-L69 HydrophobicContact CZ-CD1 3.94Å; F34-L69 HydrophobicContact CZ-CD2 4.09Å; F34-L69 HydrophobicContact CZ-CG 3.7Å; A65-L69 WeakPolarHBondContact O-CB 3.21Å; A65-L69 PolarHBondContact O-N 3.19Å; L69-G71 PolarHBondContact O-N 2.82Å; L69-F72 HydrophobicContact CB-CB 4.22Å; L69-F72 HydrophobicContact CD2-CB 4.04Å; L69-F72 HydrophobicContact CD2-CD2 3.84Å; L69-F72 HydrophobicContact CD2-CE2 4.44Å; L69-F72 HydrophobicContact CD2-CG 3.88Å; L69-F72 VanDerWaalsContact O-CB 3.32Å; L69-F72 WeakPolarHBondContact O-CB 3.29Å; L69-F72 PolarHBondContact O-N 2.78Å; L69-I81 HydrophobicContact CB-CD1 3.57Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å |
| 70 | Q | 97.6 | Very high | 97.5 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 123.2 | 175.3 | -172.1 | 66.6 | -75.4 | 0 | 0 | 110.3 | L66 F72 I81 | L66-Q70 WeakPolarHBondContact O-CB 3.41Å; L66-Q70 PolarHBondContact O-N 3.15Å; Q70-F72 PolarHBondContact O-N 3.48Å; Q70-I81 PolarHBondContact NE2-O 3.14Å |
| 71 | G | 96.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 3.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L69 P78 M79 | L69-G71 PolarHBondContact O-N 2.82Å; G71-P78 WeakPolarHBondContact O-CB 3.37Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.91Å |
| 72 | F | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 63.7 Ų | 63.7 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | trans | -58.1 | 128.3 | -178.3 | -178.9 | -88.8 | 0 | 0 | 0 | 110.9 | L30 L69 Q70 F74 M79 | L30-F72 HydrophobicContact CD1-CE1 4.18Å; L30-F72 HydrophobicContact CD1-CZ 4.29Å; L30-F72 HydrophobicContact CD2-CD1 4.16Å; L30-F72 HydrophobicContact CD2-CE1 4.12Å; L69-F72 HydrophobicContact CB-CB 4.22Å; L69-F72 HydrophobicContact CD2-CB 4.04Å; L69-F72 HydrophobicContact CD2-CD2 3.84Å; L69-F72 HydrophobicContact CD2-CE2 4.44Å; L69-F72 HydrophobicContact CD2-CG 3.88Å; L69-F72 VanDerWaalsContact O-CB 3.32Å; L69-F72 WeakPolarHBondContact O-CB 3.29Å; L69-F72 PolarHBondContact O-N 2.78Å; Q70-F72 PolarHBondContact O-N 3.48Å; F72-F74 HydrophobicContact CD1-CB 4.37Å; F72-F74 PolarHBondContact O-N 2.78Å; F72-M79 HydrophobicContact CB-CE 3.75Å; F72-M79 HydrophobicContact CB-CG 4.47Å; F72-M79 HydrophobicContact CD1-CE 3.37Å; F72-M79 HydrophobicContact CE1-CE 4.36Å; F72-M79 HydrophobicContact CG-CE 3.97Å; F72-M79 PolarHBondContact O-N 3.31Å | ||
| 73 | P | 97.5 | Very high | 97.4 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 116.5 | 177 | -22.3 | 33.8 | 0 | 0 | 0 | 111.7 | ||
| 74 | F | 97.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 114.9 | -179.7 | -175.2 | -104.1 | 0 | 0 | 0 | 110.1 | I14 L23 L27 L30 F72 G76 K77 M79 | I14-F74 HydrophobicContact CG2-CD1 3.86Å; I14-F74 HydrophobicContact CG2-CE1 3.99Å; L23-F74 HydrophobicContact CD1-CE1 3.67Å; L23-F74 HydrophobicContact CD1-CZ 4.3Å; L27-F74 HydrophobicContact CD2-CE1 3.82Å; L27-F74 HydrophobicContact CD2-CE2 4.47Å; L27-F74 HydrophobicContact CD2-CZ 3.79Å; L27-F74 HydrophobicContact CG-CE1 4.11Å; L27-F74 HydrophobicContact CG-CZ 3.91Å; L30-F74 HydrophobicContact CD2-CD2 3.96Å; L30-F74 HydrophobicContact CD2-CE2 4.2Å; F72-F74 HydrophobicContact CD1-CB 4.37Å; F72-F74 PolarHBondContact O-N 2.78Å; F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 3.04Å; F74-K77 PolarHBondContact N-O 3.26Å; F74-K77 PolarHBondContact O-N 3.21Å; F74-M79 HydrophobicContact CB-CE 3.5Å; F74-M79 HydrophobicContact CD2-CE 4.22Å; F74-M79 HydrophobicContact CG-CE 3.96Å |
| 75 | Y | 96.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44.9 | -170.9 | -67.3 | -73.3 | 0 | 0 | 0 | 113.5 | N15 I18 S26 K77 | N15-Y75 PolarHBondContact ND2-O 2.9Å; I18-Y75 HydrophobicContact CD1-CD1 3.58Å; I18-Y75 HydrophobicContact CD1-CD2 4.46Å; I18-Y75 HydrophobicContact CD1-CE1 4Å; I18-Y75 HydrophobicContact CD1-CG 3.83Å; I18-Y75 HydrophobicContact CG1-CD1 4.01Å; I18-Y75 HydrophobicContact CG1-CD2 3.96Å; I18-Y75 HydrophobicContact CG1-CE1 4.43Å; I18-Y75 HydrophobicContact CG1-CE2 4.39Å; I18-Y75 HydrophobicContact CG1-CG 3.75Å; I18-Y75 HydrophobicContact CG2-CE2 4.27Å; S26-Y75 WeakPolarHBondContact CB-OH 2.94Å; S26-Y75 PolarHBondContact OG-OH 3.45Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 2.93Å |
| 76 | G | 94.8 | Very high | 96.8 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 81% | 0.814 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 4.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F74 | F74-G76 VanDerWaalsContact C-N 3.28Å; F74-G76 PolarHBondContact O-N 3.04Å |
| 77 | K | 97.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 75.7 Ų | 75.7 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.5 | 175.9 | -65.5 | -174.9 | 67 | -170.8 | 0 | 111.7 | N13 I14 N15 F74 Y75 M79 | N13-K77 WeakPolarHBondContact O-CB 3.07Å; N13-K77 VanDerWaalsContact O-CE 3.24Å; N13-K77 WeakPolarHBondContact O-CE 3.24Å; N13-K77 PolarHBondContact O-NZ 3.4Å; N13-K77 WeakPolarHBondContact OD1-CE 3.2Å; N13-K77 PolarHBondContact OD1-NZ 3.03Å; I14-K77 PolarHBondContact O-NZ 3.19Å; N15-K77 HydrophobicContact CB-CD 4.21Å; F74-K77 PolarHBondContact N-O 3.26Å; F74-K77 PolarHBondContact O-N 3.21Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 2.93Å; K77-M79 PolarHBondContact O-N 3.07Å |
| 78 | P | 97.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 67 Ų | 67 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 114.4 | 174.8 | 28.9 | -32.6 | 0 | 0 | 0 | 109.6 | N13 G71 | N13-P78 PolarHBondContact ND2-O 2.9Å; G71-P78 WeakPolarHBondContact O-CB 3.37Å |
| 79 | M | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -72.3 | 147.2 | -179 | 77.2 | 179.5 | 100.1 | 0 | 0 | 111.1 | I11 L30 F31 G71 F72 F74 K77 I81 | I11-M79 HydrophobicContact CG2-CB 3.87Å; I11-M79 HydrophobicContact CG2-CG 4.25Å; I11-M79 HydrophobicContact CG2-SD 4.06Å; L30-M79 HydrophobicContact CD2-CE 3.52Å; F31-M79 HydrophobicContact CE2-SD 4.23Å; F31-M79 HydrophobicContact CZ-SD 4.01Å; G71-M79 WeakPolarHBondContact CA-O 3.41Å; G71-M79 PolarHBondContact N-O 2.91Å; F72-M79 HydrophobicContact CB-CE 3.75Å; F72-M79 HydrophobicContact CB-CG 4.47Å; F72-M79 HydrophobicContact CD1-CE 3.37Å; F72-M79 HydrophobicContact CE1-CE 4.36Å; F72-M79 HydrophobicContact CG-CE 3.97Å; F72-M79 PolarHBondContact O-N 3.31Å; F74-M79 HydrophobicContact CB-CE 3.5Å; F74-M79 HydrophobicContact CD2-CE 4.22Å; F74-M79 HydrophobicContact CG-CE 3.96Å; K77-M79 PolarHBondContact O-N 3.07Å; M79-I81 HydrophobicContact CG-CD1 4.23Å; M79-I81 HydrophobicContact CG-CG1 4.11Å; M79-I81 HydrophobicContact SD-CD1 4.03Å; M79-I81 HydrophobicContact SD-CG1 4.33Å | ||
| 80 | R | 97.9 | Very high | 95.3 | Very high | 164 Ų | 164 | 67.5 Ų | 67.5 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124 | 177.1 | -81.6 | -178.9 | 174.2 | -165.4 | -2.6 | 109.2 | I11 N12 | I11-R80 CarbonylContact C-O 3.56Å; I11-R80 VanDerWaalsContact CA-O 3.3Å; I11-R80 WeakPolarHBondContact CA-O 3.43Å; N12-R80 PolarHBondContact N-O 2.8Å; N12-R80 PolarHBondContact O-N 2.95Å; N12-R80 WeakPolarHBondContact OD1-CB 3.2Å; N12-R80 PolarHBondContact OD1-O 3Å |
| 81 | I | 98 | Very high | 94.9 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.3 | -172.7 | -48.4 | 179.6 | 0 | 0 | 0 | 109.8 | I9 Y10 I11 F31 L66 L69 Q70 M79 | I9-I81 HydrophobicContact CB-CG2 3.88Å; I9-I81 HydrophobicContact CD1-CG2 3.94Å; I9-I81 HydrophobicContact CG1-CG2 4.39Å; I9-I81 HydrophobicContact CG2-CG2 4.29Å; Y10-I81 WeakPolarHBondContact O-CA 3.39Å; I11-I81 HydrophobicContact CG1-CG1 4.33Å; I11-I81 HydrophobicContact CG1-CG2 4.44Å; I11-I81 HydrophobicContact CG2-CG1 4.34Å; F31-I81 HydrophobicContact CE1-CD1 4.14Å; F31-I81 HydrophobicContact CZ-CD1 3.89Å; L66-I81 HydrophobicContact CB-CG2 4.09Å; L66-I81 HydrophobicContact CD1-CG2 4.24Å; L66-I81 HydrophobicContact CG-CB 4.36Å; L66-I81 HydrophobicContact CG-CG2 3.93Å; L69-I81 HydrophobicContact CB-CD1 3.57Å; L69-I81 WeakPolarHBondContact O-CD1 3.47Å; Q70-I81 PolarHBondContact NE2-O 3.14Å; M79-I81 HydrophobicContact CG-CD1 4.23Å; M79-I81 HydrophobicContact CG-CG1 4.11Å; M79-I81 HydrophobicContact SD-CD1 4.03Å; M79-I81 HydrophobicContact SD-CG1 4.33Å |
| 82 | Q | 98 | Very high | 94.6 | Very high | 85 Ų | 85 | 61.8 Ų | 61.8 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 162.7 | 172.8 | -64.5 | 175.5 | 44.1 | 0 | 0 | 109.1 | I9 Y10 | I9-Q82 CarbonylContact C-O 3.54Å; I9-Q82 WeakPolarHBondContact CA-O 3.35Å; Y10-Q82 PolarHBondContact N-O 3.21Å; Y10-Q82 PolarHBondContact O-N 3.25Å |
| 83 | Y | 98.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 148.1 | 166.2 | -67.3 | -65.4 | 0 | 0 | 0 | 110.8 | P5 N6 I9 T63 L66 | P5-Y83 HydrophobicContact CB-CE1 4.22Å; P5-Y83 HydrophobicContact CB-CE2 4.24Å; P5-Y83 HydrophobicContact CG-CE2 4.3Å; N6-Y83 HydrophobicContact CB-CD1 4.24Å; N6-Y83 WeakPolarHBondContact O-CD1 3.15Å; I9-Y83 HydrophobicContact CG2-CD1 4.36Å; T63-Y83 WeakPolarHBondContact CA-OH 3.32Å; T63-Y83 VanDerWaalsContact CB-OH 3.25Å; T63-Y83 WeakPolarHBondContact CB-OH 3.03Å; T63-Y83 VanDerWaalsContact CG2-OH 3.25Å; T63-Y83 WeakPolarHBondContact CG2-OH 3.14Å; T63-Y83 PolarHBondContact OG1-OH 2.82Å; L66-Y83 HydrophobicContact CD1-CD1 4.13Å; L66-Y83 HydrophobicContact CD1-CD2 4Å; L66-Y83 HydrophobicContact CD1-CE1 4.13Å; L66-Y83 HydrophobicContact CD1-CE2 3.96Å; L66-Y83 HydrophobicContact CD1-CG 4.08Å |
| 84 | A | 96.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | trans | -67 | 142.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | T8 F53 T86 | T8-A84 HydrophobicContact CG2-CB 3.83Å; T8-A84 VanDerWaalsContact O-CB 3.3Å; T8-A84 WeakPolarHBondContact O-CB 3.44Å; T8-A84 PolarHBondContact O-N 3.4Å; F53-A84 HydrophobicContact CD1-CB 4.32Å; F53-A84 HydrophobicContact CE1-CB 4.36Å; A84-T86 PolarHBondContact O-N 3.08Å | ||
| 85 | K | 93.3 | Very high | 92.8 | Very high | 187 Ų | 187 | 71.6 Ų | 71.6 | 81% | 0.813 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -66.4 | -25 | 178.3 | -61.6 | -177.7 | -179.4 | -177.6 | 0 | 113.2 | ||
| 86 | T | 91.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 70.8 Ų | 70.8 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -140.7 | 150.7 | -175.3 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | A84 | A84-T86 PolarHBondContact O-N 3.08Š|
| 87 | D | 89.4 | Confident | 91 | Very high | 61 Ų | 61 | 70 Ų | 70 | 33% | 0.326 | 35% | 0.352 | S | S | . | . | trans | -63.8 | 136 | 175.8 | -65.5 | -7.5 | 0 | 0 | 0 | 112 | N6 K101 | N6-D87 PolarHBondContact ND2-OD1 3.37Å; D87-K101 PolarHBondContact O-NZ 2.65Å | ||
| 88 | S | 91.8 | Very high | 89.4 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 146.5 | 172.5 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | T8 I90 I91 S92 | T8-S88 WeakPolarHBondContact CB-OG 3.42Å; T8-S88 WeakPolarHBondContact CG2-OG 3.19Å; T8-S88 WeakPolarHBondContact OG1-CB 3.27Å; T8-S88 PolarHBondContact OG1-OG 3.42Å; S88-I90 PolarHBondContact O-N 3.25Å; S88-I91 PolarHBondContact O-N 3.36Å; S88-S92 PolarHBondContact O-N 3.45Å; S88-S92 PolarHBondContact O-OG 3.4Å | ||
| 89 | D | 88.2 | Confident | 87.8 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -37 | -175.6 | -72.7 | -7.9 | 0 | 0 | 0 | 112.3 | S92 K93 F98 K101 | D89-S92 PolarHBondContact O-N 3.06Å; D89-K93 WeakPolarHBondContact O-CG 3.36Å; D89-K93 PolarHBondContact O-N 2.85Å; D89-F98 HydrophobicContact CB-CE2 3.86Å; D89-K101 IonicContact OD1-NZ 3.79Å; D89-K101 PolarHBondContact OD1-NZ 2.6Å |
| 90 | I | 88.8 | Confident | 86 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 176.6 | -166 | 153.7 | 0 | 0 | 0 | 113.3 | V38 I55 S88 K93 M94 | V38-I90 HydrophobicContact CG1-CD1 3.39Å; V38-I90 HydrophobicContact CG1-CG1 3.86Å; V38-I90 HydrophobicContact CG1-CG2 4.33Å; I55-I90 HydrophobicContact CD1-CG2 3.89Å; I55-I90 HydrophobicContact CG2-CG2 3.78Å; S88-I90 PolarHBondContact O-N 3.25Å; I90-K93 PolarHBondContact O-N 2.93Å; I90-M94 WeakPolarHBondContact O-CB 3.22Å; I90-M94 PolarHBondContact O-N 3.04Å |
| 91 | I | 89.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70 | -40.6 | 176.5 | -60.9 | -61.4 | 0 | 0 | 0 | 110.2 | H7 I55 S88 K93 M94 R95 | H7-I91 HydrophobicContact CB-CD1 3.89Å; H7-I91 HydrophobicContact CB-CG1 3.98Å; H7-I91 HydrophobicContact CB-CG2 4.4Å; I55-I91 HydrophobicContact CG2-CD1 3.68Å; I55-I91 HydrophobicContact CG2-CG1 3.61Å; S88-I91 PolarHBondContact O-N 3.36Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.66Å; I91-M94 PolarHBondContact O-N 2.81Å; I91-R95 WeakPolarHBondContact O-CB 3.44Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.34Å |
| 92 | S | 88.4 | Confident | 82.5 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 174.4 | -59 | 0 | 0 | 0 | 0 | 111.9 | S88 D89 G96 T97 F98 | S88-S92 PolarHBondContact O-N 3.45Å; S88-S92 PolarHBondContact O-OG 3.4Å; D89-S92 PolarHBondContact O-N 3.06Å; S92-G96 PolarHBondContact O-N 3.4Å; S92-T97 PolarHBondContact O-N 2.76Å; S92-T97 PolarHBondContact O-OG1 2.88Å; S92-F98 PolarHBondContact O-N 3.27Å; S92-F98 VanDerWaalsContact O-N 3.13Å |
| 93 | K | 87.5 | Confident | 80.7 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.2 | -47.1 | 173.9 | -72.4 | 178.3 | -177 | -173.2 | 0 | 111.9 | D89 I90 I91 R95 G96 F98 | D89-K93 WeakPolarHBondContact O-CG 3.36Å; D89-K93 PolarHBondContact O-N 2.85Å; I90-K93 PolarHBondContact O-N 2.93Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 2.66Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 PolarHBondContact O-N 2.79Å; K93-G96 PolarHBondContact O-N 2.95Å; K93-G96 VanDerWaalsContact O-N 3.08Å; K93-F98 HydrophobicContact CB-CB 4.44Å; K93-F98 HydrophobicContact CD-CD2 4.3Å; K93-F98 HydrophobicContact CD-CE2 4.36Å; K93-F98 HydrophobicContact CD-CG 4.42Å; K93-F98 HydrophobicContact CG-CB 3.77Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.46Å; K93-F98 VanDerWaalsContact CG-CD2 3.46Å; K93-F98 HydrophobicContact CG-CE1 4.42Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 3.45Å; K93-F98 VanDerWaalsContact CG-CG 3.45Å; K93-F98 HydrophobicContact CG-CZ 4.44Å |
| 94 | M | 84.6 | Confident | 79.1 | Confident | 125 Ų | 125 | 82.3 Ų | 82.3 | 62% | 0.616 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.5 | -33.2 | -179.8 | -170.9 | 176.1 | 177.8 | 0 | 0 | 112.7 | K57 I90 I91 G96 | K57-M94 HydrophobicContact CG-CE 4.24Å; I90-M94 WeakPolarHBondContact O-CB 3.22Å; I90-M94 PolarHBondContact O-N 3.04Å; I91-M94 PolarHBondContact O-N 2.81Å; M94-G96 VanDerWaalsContact C-N 3.34Å |
| 95 | R | 82.6 | Confident | 77.6 | Confident | 148 Ų | 148 | 87.3 Ų | 87.3 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -3.4 | 176.7 | -70 | -179.6 | 169.1 | -131.3 | -13.4 | 114.3 | H7 I91 K93 T97 | H7-R95 PolarHBondContact CE1-NH2 3.08Å; H7-R95 PolarHBondContact NE2-NH2 3.44Å; I91-R95 WeakPolarHBondContact O-CB 3.44Å; I91-R95 WeakPolarHBondContact O-CG 3.37Å; I91-R95 PolarHBondContact O-N 3.34Å; K93-R95 VanDerWaalsContact C-N 3.26Å; K93-R95 PolarHBondContact O-N 2.79Å; R95-T97 HydrophobicContact CB-CG2 4.35Å; R95-T97 PolarHBondContact O-N 2.75Å |
| 96 | G | 79.5 | Confident | 76.3 | Confident | 63 Ų | 63 | 84.4 Ų | 84.4 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 5.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S92 K93 M94 F98 | S92-G96 PolarHBondContact O-N 3.4Å; K93-G96 PolarHBondContact O-N 2.95Å; K93-G96 VanDerWaalsContact O-N 3.08Å; M94-G96 VanDerWaalsContact C-N 3.34Å; G96-F98 VanDerWaalsContact C-N 3.34Å |
| 97 | T | 75.3 | Confident | 75.1 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | trans | -90.3 | 4.5 | -178.6 | 61 | 0 | 0 | 0 | 0 | 113.6 | S92 R95 A99 D100 | S92-T97 PolarHBondContact O-N 2.76Å; S92-T97 PolarHBondContact O-OG1 2.88Å; R95-T97 HydrophobicContact CB-CG2 4.35Å; R95-T97 PolarHBondContact O-N 2.75Å; T97-A99 PolarHBondContact O-N 2.89Å; T97-D100 PolarHBondContact O-N 2.83Å | ||
| 98 | F | 64.3 | Low | 74.1 | Confident | 34 Ų | 34 | 91.9 Ų | 91.9 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.3 | -35.6 | -175.8 | -166.8 | -103.3 | 0 | 0 | 0 | 113.4 | D89 S92 K93 G96 D100 K101 E102 | D89-F98 HydrophobicContact CB-CE2 3.86Å; S92-F98 PolarHBondContact O-N 3.27Å; S92-F98 VanDerWaalsContact O-N 3.13Å; K93-F98 HydrophobicContact CB-CB 4.44Å; K93-F98 HydrophobicContact CD-CD2 4.3Å; K93-F98 HydrophobicContact CD-CE2 4.36Å; K93-F98 HydrophobicContact CD-CG 4.42Å; K93-F98 HydrophobicContact CG-CB 3.77Å; K93-F98 HydrophobicContact CG-CD1 3.97Å; K93-F98 HydrophobicContact CG-CD2 3.46Å; K93-F98 VanDerWaalsContact CG-CD2 3.46Å; K93-F98 HydrophobicContact CG-CE1 4.42Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 3.45Å; K93-F98 VanDerWaalsContact CG-CG 3.45Å; K93-F98 HydrophobicContact CG-CZ 4.44Å; G96-F98 VanDerWaalsContact C-N 3.34Å; F98-D100 PolarHBondContact O-N 2.91Å; F98-K101 WeakPolarHBondContact O-CB 3.41Å; F98-K101 PolarHBondContact O-N 3.36Å; F98-E102 HydrophobicContact CD1-CG 4.13Å; F98-E102 VanDerWaalsContact CE1-CD 3.48Å; F98-E102 HydrophobicContact CE1-CG 3.67Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.36Å; F98-E102 HydrophobicContact CZ-CG 4.24Å; F98-E102 PolarHBondContact O-N 3.27Å |
| 99 | A | 62.3 | Low | 73.1 | Confident | 58 Ų | 58 | 97.6 Ų | 97.6 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -34.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T97 K101 E102 K103 | T97-A99 PolarHBondContact O-N 2.89Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.19Å; A99-E102 PolarHBondContact O-N 3.3Å; A99-K103 WeakPolarHBondContact O-CB 3.41Å; A99-K103 WeakPolarHBondContact O-CG 3.3Å; A99-K103 PolarHBondContact O-N 3.43Å |
| 100 | D | 59.5 | Low | 72 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.5 | -30.1 | 176.2 | -69.5 | -40.1 | 0 | 0 | 0 | 112.5 | T97 F98 R104 | T97-D100 PolarHBondContact O-N 2.83Å; F98-D100 PolarHBondContact O-N 2.91Å; D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.44Å; D100-R104 VanDerWaalsContact O-CG 3.24Å; D100-R104 WeakPolarHBondContact O-CG 3.32Å; D100-R104 PolarHBondContact O-N 3.38Å |
| 101 | K | 59.9 | Low | 71 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 26% | 0.257 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.6 | -37.7 | 177.9 | -156.9 | 178.8 | -173.1 | -177 | 0 | 111.3 | D87 D89 F98 A99 R104 K105 | D87-K101 PolarHBondContact O-NZ 2.65Å; D89-K101 IonicContact OD1-NZ 3.79Å; D89-K101 PolarHBondContact OD1-NZ 2.6Å; F98-K101 WeakPolarHBondContact O-CB 3.41Å; F98-K101 PolarHBondContact O-N 3.36Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.19Å; K101-R104 PolarHBondContact O-N 3.34Å; K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.36Å; K101-K105 PolarHBondContact O-N 3.32Å |
| 102 | E | 62.8 | Low | 70 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 171.5 | -77.7 | -166.4 | 118.9 | 0 | 0 | 111.6 | F98 A99 R104 K105 E106 | F98-E102 HydrophobicContact CD1-CG 4.13Å; F98-E102 VanDerWaalsContact CE1-CD 3.48Å; F98-E102 HydrophobicContact CE1-CG 3.67Å; F98-E102 WeakPolarHBondContact CE1-OE2 3.36Å; F98-E102 HydrophobicContact CZ-CG 4.24Å; F98-E102 PolarHBondContact O-N 3.27Å; A99-E102 PolarHBondContact O-N 3.3Å; E102-R104 PolarHBondContact O-N 3.27Å; E102-K105 CarbonylContact O-C 3.53Å; E102-K105 WeakPolarHBondContact O-CA 3.22Å; E102-K105 PolarHBondContact O-N 3.26Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.18Å |
| 103 | K | 61 | Low | 69 | Low | 133 Ų | 133 | 108.5 Ų | 108.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.1 | -35.3 | 173.3 | -76.1 | -179.5 | 178.9 | 178.6 | 0 | 112.5 | A99 K107 | A99-K103 WeakPolarHBondContact O-CB 3.41Å; A99-K103 WeakPolarHBondContact O-CG 3.3Å; A99-K103 PolarHBondContact O-N 3.43Å; K103-K107 WeakPolarHBondContact O-CB 3.41Å; K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.17Å; K103-K107 PolarHBondContact O-N 3.42Å |
| 104 | R | 64.4 | Low | 67.6 | Low | 191 Ų | 191 | 108.3 Ų | 108.3 | 72% | 0.721 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.6 | -40.5 | 172.6 | -82.5 | 176.2 | 173.5 | -169.1 | -1.2 | 112.9 | D100 K101 E102 K108 | D100-R104 VanDerWaalsContact O-CB 3.3Å; D100-R104 WeakPolarHBondContact O-CB 3.44Å; D100-R104 VanDerWaalsContact O-CG 3.24Å; D100-R104 WeakPolarHBondContact O-CG 3.32Å; D100-R104 PolarHBondContact O-N 3.38Å; K101-R104 PolarHBondContact O-N 3.34Å; E102-R104 PolarHBondContact O-N 3.27Å; R104-K108 WeakPolarHBondContact O-CG 3.33Å; R104-K108 PolarHBondContact O-N 3.37Å |
| 105 | K | 65.8 | Low | 66.4 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 47% | 0.474 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.6 | -39.6 | 175 | -81.6 | -178.8 | 179.5 | 174.6 | 0 | 111.4 | K101 E102 K108 K109 | K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 WeakPolarHBondContact O-CG 3.36Å; K101-K105 PolarHBondContact O-N 3.32Å; E102-K105 CarbonylContact O-C 3.53Å; E102-K105 WeakPolarHBondContact O-CA 3.22Å; E102-K105 PolarHBondContact O-N 3.26Å; K105-K108 PolarHBondContact O-N 3.4Å; K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.48Å |
| 106 | E | 65.3 | Low | 65.3 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 173.7 | -78.5 | -179.1 | 153.6 | 0 | 0 | 111.4 | E102 K108 K109 A110 | E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.18Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.73Å; E106-K109 CarbonylContact O-C 3.56Å; E106-K109 PolarHBondContact O-N 3.01Å; E106-K109 VanDerWaalsContact O-N 3.16Å; E106-A110 WeakPolarHBondContact O-CB 2.93Å; E106-A110 PolarHBondContact O-N 3.2Å |
| 107 | K | 66.9 | Low | 64.2 | Low | 149 Ų | 149 | 103.8 Ų | 103.8 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -36.9 | 172.6 | -79.7 | -178.6 | 178.3 | -174.7 | 0 | 112.4 | K103 K111 | K103-K107 WeakPolarHBondContact O-CB 3.41Å; K103-K107 VanDerWaalsContact O-CG 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.17Å; K103-K107 PolarHBondContact O-N 3.42Å; K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 VanDerWaalsContact O-CG 3.24Å; K107-K111 WeakPolarHBondContact O-CG 3.47Å; K107-K111 PolarHBondContact O-N 2.74Å |
| 108 | K | 68 | Low | 63.1 | Low | 167 Ų | 167 | 105.9 Ų | 105.9 | 73% | 0.726 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.9 | -41.3 | 173.9 | -77.9 | -171 | 175.3 | -166.5 | 0 | 112.4 | R104 K105 E106 S112 | R104-K108 WeakPolarHBondContact O-CG 3.33Å; R104-K108 PolarHBondContact O-N 3.37Å; K105-K108 PolarHBondContact O-N 3.4Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 PolarHBondContact O-N 2.73Å; K108-S112 PolarHBondContact O-N 3.18Å; K108-S112 PolarHBondContact O-OG 3.03Å |
| 109 | K | 70.1 | Confident | 62.7 | Low | 141 Ų | 141 | 107 Ų | 107 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -44 | 176.8 | -79.9 | -175.2 | 175.5 | -174.3 | 0 | 112.3 | K105 E106 S112 L113 | K105-K109 WeakPolarHBondContact O-CB 3.38Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.48Å; E106-K109 CarbonylContact O-C 3.56Å; E106-K109 PolarHBondContact O-N 3.01Å; E106-K109 VanDerWaalsContact O-N 3.16Å; K109-S112 WeakPolarHBondContact CA-OG 3.38Å; K109-S112 CarbonylContact O-C 3.6Å; K109-S112 PolarHBondContact O-N 3.24Å; K109-S112 VanDerWaalsContact O-N 3.16Å; K109-S112 PolarHBondContact O-OG 2.76Å; K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 WeakPolarHBondContact O-CD1 3.45Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 3.4Å |
| 110 | A | 65.3 | Low | 62 | Low | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E106 S112 L113 E114 | E106-A110 WeakPolarHBondContact O-CB 2.93Å; E106-A110 PolarHBondContact O-N 3.2Å; A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.39Å; A110-L113 PolarHBondContact O-N 3.47Å; A110-E114 VanDerWaalsContact O-CB 3.27Å; A110-E114 WeakPolarHBondContact O-CB 3.32Å; A110-E114 PolarHBondContact O-N 3.32Å |
| 111 | K | 67.4 | Low | 61.3 | Low | 140 Ų | 140 | 107.4 Ų | 107.4 | 61% | 0.609 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.5 | -39.8 | 172.5 | -77.7 | -177.8 | 176.3 | -165.5 | 0 | 112.7 | K107 Q115 | K107-K111 WeakPolarHBondContact O-CB 3.25Å; K107-K111 VanDerWaalsContact O-CG 3.24Å; K107-K111 WeakPolarHBondContact O-CG 3.47Å; K107-K111 PolarHBondContact O-N 2.74Å; K111-Q115 WeakPolarHBondContact O-CB 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 2.98Å; K111-Q115 VanDerWaalsContact O-N 3.1Å |
| 112 | S | 68.9 | Low | 60.8 | Low | 63 Ų | 63 | 112.1 Ų | 112.1 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.9 | -31.8 | 176.1 | 62.4 | 0 | 0 | 0 | 0 | 114 | K108 K109 A110 A116 | K108-S112 PolarHBondContact O-N 3.18Å; K108-S112 PolarHBondContact O-OG 3.03Å; K109-S112 WeakPolarHBondContact CA-OG 3.38Å; K109-S112 CarbonylContact O-C 3.6Å; K109-S112 PolarHBondContact O-N 3.24Å; K109-S112 VanDerWaalsContact O-N 3.16Å; K109-S112 PolarHBondContact O-OG 2.76Å; A110-S112 VanDerWaalsContact C-N 3.31Å; A110-S112 PolarHBondContact O-N 3.39Å; S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.11Å |
| 113 | L | 66.8 | Low | 59.9 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 62% | 0.623 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.3 | -39.2 | 178 | -78.3 | 156.3 | 0 | 0 | 0 | 111.6 | K109 A110 A116 A117 | K109-L113 WeakPolarHBondContact O-CB 3.4Å; K109-L113 WeakPolarHBondContact O-CD1 3.45Å; K109-L113 WeakPolarHBondContact O-CG 3.43Å; K109-L113 PolarHBondContact O-N 3.4Å; A110-L113 PolarHBondContact O-N 3.47Å; L113-A116 PolarHBondContact O-N 2.93Å; L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 2.98Å |
| 114 | E | 59.9 | Low | 59 | Low | 126 Ų | 126 | 116.3 Ų | 116.3 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -38.6 | 174.8 | -168.6 | 179 | 179.5 | 0 | 0 | 111.2 | A110 A117 N118 | A110-E114 VanDerWaalsContact O-CB 3.27Å; A110-E114 WeakPolarHBondContact O-CB 3.32Å; A110-E114 PolarHBondContact O-N 3.32Å; E114-A117 PolarHBondContact O-N 2.89Å; E114-N118 WeakPolarHBondContact O-CB 3.3Å; E114-N118 PolarHBondContact O-N 2.95Å; E114-N118 PolarHBondContact O-ND2 3.41Å |
| 115 | Q | 58.8 | Low | 57.8 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.1 | -37.4 | 171.1 | -76.6 | 171.4 | -10.4 | 0 | 0 | 112.4 | K111 A119 | K111-Q115 WeakPolarHBondContact O-CB 3.29Å; K111-Q115 WeakPolarHBondContact O-CG 3.41Å; K111-Q115 PolarHBondContact O-N 2.98Å; K111-Q115 VanDerWaalsContact O-N 3.1Å; Q115-A119 PolarHBondContact O-N 2.85Å |
| 116 | A | 59.6 | Low | 56.6 | Low | 60 Ų | 60 | 117.9 Ų | 117.9 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | S112 L113 A119 A120 | S112-A116 WeakPolarHBondContact O-CB 3.25Å; S112-A116 PolarHBondContact O-N 2.92Å; S112-A116 VanDerWaalsContact O-N 3.11Å; L113-A116 PolarHBondContact O-N 2.93Å; A116-A119 PolarHBondContact O-N 2.83Å; A116-A120 PolarHBondContact O-N 3.5Å |
| 117 | A | 54.9 | Low | 55.1 | Low | 52 Ų | 52 | 115.3 Ų | 115.3 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.9 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L113 E114 A119 A120 N121 | L113-A117 WeakPolarHBondContact O-CB 3.34Å; L113-A117 PolarHBondContact O-N 2.98Å; E114-A117 PolarHBondContact O-N 2.89Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.06Å; A117-A120 PolarHBondContact O-N 3.25Å; A117-N121 PolarHBondContact O-N 3.13Å |
| 118 | N | 53.8 | Low | 53.3 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 57% | 0.567 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.1 | -27 | 174.9 | -76.1 | -27.6 | 0 | 0 | 0 | 112.9 | E114 | E114-N118 WeakPolarHBondContact O-CB 3.3Å; E114-N118 PolarHBondContact O-N 2.95Å; E114-N118 PolarHBondContact O-ND2 3.41Å |
| 119 | A | 55.4 | Low | 51.3 | Low | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.4 | -29.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q115 A116 A117 | Q115-A119 PolarHBondContact O-N 2.85Å; A116-A119 PolarHBondContact O-N 2.83Å; A117-A119 VanDerWaalsContact C-N 3.29Å; A117-A119 PolarHBondContact O-N 3.06Å |
| 120 | A | 46.9 | Very low | 49.5 | Very low | 60 Ų | 60 | 113 Ų | 113 | 50% | 0.496 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -77 | -39.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A116 A117 K122 K123 | A116-A120 PolarHBondContact O-N 3.5Å; A117-A120 PolarHBondContact O-N 3.25Å; A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 2.89Å; A120-K123 WeakPolarHBondContact O-CB 3.34Å; A120-K123 PolarHBondContact O-N 3.38Å |
| 121 | N | 46.3 | Very low | 47.8 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.7 | -24.9 | 179.2 | -86.9 | -30.9 | 0 | 0 | 0 | 113.7 | A117 K123 | A117-N121 PolarHBondContact O-N 3.13Å; N121-K123 PolarHBondContact O-N 2.87Å |
| 122 | K | 48.7 | Very low | 46 | Very low | 159 Ų | 159 | 116.6 Ų | 116.6 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -12.2 | 175.4 | -155.2 | 175.5 | -177.4 | 178.5 | 0 | 113.2 | A120 | A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 2.89Å |
| 123 | K | 44.5 | Very low | 44.1 | Very low | 181 Ų | 181 | 118.2 Ų | 118.2 | 79% | 0.787 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -13.9 | -175.3 | -141.2 | -179.5 | -175 | -173.6 | 0 | 114.5 | A120 N121 | A120-K123 WeakPolarHBondContact O-CB 3.34Å; A120-K123 PolarHBondContact O-N 3.38Å; N121-K123 PolarHBondContact O-N 2.87Å |
| 124 | I | 40.6 | Very low | 42.3 | Very low | 144 Ų | 144 | 120.1 Ų | 120.1 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -90.5 | -19.4 | -176.5 | -63.6 | -170.1 | 0 | 0 | 0 | 112.9 | ||
| 125 | L | 39.1 | Very low | 41 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -92.4 | -1.2 | -174.9 | -80 | 146 | 0 | 0 | 0 | 115.7 | ||
| 126 | Q | 41.4 | Very low | 39.4 | Very low | 175 Ų | 175 | 120.9 Ų | 120.9 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -127.8 | 45.4 | -176.2 | -79.4 | -176.8 | -6.2 | 0 | 0 | 113.1 | ||
| 127 | G | 33.5 | Very low | 37.8 | Very low | 74 Ų | 74 | 121.2 Ų | 121.2 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | trans | -128.6 | 62 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 128 | A | 29 | Very low | 36.4 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -152.7 | 85.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 129 | T | 27.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -177.9 | 125 | 131.5 | 15.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 130 | Q | 31.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 83.4 | 121.6 | 139 | -73.9 | 173.9 | -7.3 | 0 | 0 | 123.4 | ||||
| 131 | N | 28.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -60.2 | 150 | 164 | -66.1 | -31.8 | 0 | 0 | 0 | 114.3 | ||||
| 132 | S | 31.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 158.2 | 129.4 | 104.3 | -83.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 133 | A | 28 | Very low | 32.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 61.1 | 120.5 | 134.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 134 | N | 29.8 | Very low | 31.8 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | 101.4 | 121.2 | 123 | -130.8 | 16.2 | 0 | 0 | 0 | 123.4 | |||||
| 135 | A | 31.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 133 Ų | 133 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | 49.3 | 128.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 136 | Q | 25.3 | Very low | 32.9 | Very low | 200 Ų | 200 | 130.1 Ų | 130.1 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 130.8 | 134 | -77.2 | 173.7 | -170.1 | 0 | 0 | 122.4 | ||||
| 137 | G | 26 | Very low | 33.9 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 120.7 | 99.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 138 | T | 26.8 | Very low | 36.1 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | trans | 51.8 | 134.6 | 135.2 | 43.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 139 | S | 27.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 82.9 | 113.5 | 146.5 | 60.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 140 | S | 35.3 | Very low | 41.6 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | 51 | 129.6 | 133.8 | -53.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 141 | Q | 29.6 | Very low | 44.4 | Very low | 192 Ų | 192 | 113.1 Ų | 113.1 | 90% | 0.897 | 67% | 0.667 | S | S | * | * | trans | 101.2 | 131.5 | 155.5 | -59.6 | -168.5 | -5 | 0 | 0 | 118.3 | ||||
| 142 | N | 32.5 | Very low | 47.5 | Very low | 148 Ų | 148 | 110 Ų | 110 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | 56.9 | 85.7 | 173.1 | -87.4 | -13.1 | 0 | 0 | 0 | 117.7 | Q144 | N142-Q144 PolarHBondContact O-N 3.17Š| ||
| 143 | Q | 34.8 | Very low | 50.5 | Low | 172 Ų | 172 | 106.3 Ų | 106.3 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | trans | -64.3 | 88 | 156 | -78.3 | 178.4 | -4.9 | 0 | 0 | 110 | V145 K220 | Q143-V145 PolarHBondContact O-N 3.16Å; Q143-K220 PolarHBondContact O-NZ 3.08Å | ||
| 144 | Q | 39.6 | Very low | 53.7 | Low | 183 Ų | 183 | 101.7 Ų | 101.7 | 86% | 0.855 | 58% | 0.577 | S | S | * | * | trans | -74.5 | 105 | 157 | -134 | 161.9 | 10.6 | 0 | 0 | 106.1 | N142 | N142-Q144 PolarHBondContact O-N 3.17Š| ||
| 145 | V | 48 | Very low | 56.8 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 38% | 0.382 | 55% | 0.546 | S | S | . | . | trans | -69.3 | 133.2 | 177.1 | -124.3 | 0 | 0 | 0 | 0 | 107.6 | Q143 D147 T222 | Q143-V145 PolarHBondContact O-N 3.16Å; V145-D147 PolarHBondContact O-N 3.32Å; V145-T222 HydrophobicContact CB-CG2 4.18Å; V145-T222 HydrophobicContact CG2-CG2 4.18Å | ||
| 146 | P | 53.7 | Low | 59.8 | Low | 96 Ų | 96 | 92.9 Ų | 92.9 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | trans | -54.4 | 134 | -177.7 | -24.7 | 32.2 | 0 | 0 | 0 | 111.6 | N148 | P146-N148 PolarHBondContact O-N 2.82Å; P146-N148 VanDerWaalsContact O-N 3.12Å | ||
| 147 | D | 62.3 | Low | 63 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | trans | -70.5 | 109.2 | 176.9 | -153.3 | 10.7 | 0 | 0 | 0 | 108.6 | V145 R205 | V145-D147 PolarHBondContact O-N 3.32Å; D147-R205 IonicContact OD1-CZ 3.57Å; D147-R205 IonicContact OD1-NE 3.62Å; D147-R205 IonicContact OD1-NH2 2.71Å; D147-R205 PolarHBondContact OD1-NH2 2.74Å; D147-R205 IonicContact OD2-CZ 3.91Å; D147-R205 IonicContact OD2-NH2 2.89Å; D147-R205 PolarHBondContact OD2-NH2 3.43Å | ||
| 148 | N | 79.8 | Confident | 66.1 | Low | 26 Ų | 26 | 85.2 Ų | 85.2 | 14% | 0.139 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 151.5 | 176.6 | -62.8 | -45.4 | 0 | 0 | 0 | 108.5 | P146 Y223 K225 | P146-N148 PolarHBondContact O-N 2.82Å; P146-N148 VanDerWaalsContact O-N 3.12Å; N148-Y223 WeakPolarHBondContact CB-O 3.39Å; N148-Y223 PolarHBondContact ND2-O 3.29Å; N148-Y223 VanDerWaalsContact O-CD2 3.29Å; N148-Y223 WeakPolarHBondContact O-CD2 3.46Å; N148-K225 WeakPolarHBondContact ND2-CG 3.29Å |
| 149 | P | 84.5 | Confident | 69.2 | Low | 89 Ų | 89 | 79 Ų | 79 | 58% | 0.578 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 150.3 | 174.6 | -24.9 | 33.3 | 0 | 0 | 0 | 111.8 | N151 Y223 | P149-N151 PolarHBondContact O-N 3.04Å; P149-Y223 WeakPolarHBondContact O-CB 3.29Å |
| 150 | P | 87.9 | Confident | 72.1 | Confident | 66 Ų | 66 | 74 Ų | 74 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 137.5 | 179.4 | -30.4 | 35.9 | 0 | 0 | 0 | 113.4 | E198 Y223 | P150-E198 HydrophobicContact CB-CB 4.36Å; P150-Y223 HydrophobicContact CB-CE1 4.47Å; P150-Y223 HydrophobicContact CB-CE2 4.4Å; P150-Y223 HydrophobicContact CG-CE2 4.38Å |
| 151 | N | 91 | Very high | 74.4 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 8% | 0.08 | 39% | 0.391 | C | S | . | . | trans | -148.8 | 148 | -177.2 | -162.8 | -20.8 | 0 | 0 | 0 | 109 | P149 I153 A201 Y223 A224 | P149-N151 PolarHBondContact O-N 3.04Å; N151-I153 PolarHBondContact O-N 3.1Å; N151-I153 PolarHBondContact OD1-N 2.83Å; N151-A201 VanDerWaalsContact O-CB 3.31Å; N151-A201 WeakPolarHBondContact O-CB 3.31Å; N151-Y223 HydrophobicContact CB-CD1 4.1Å; N151-Y223 HydrophobicContact CB-CG 4.43Å; N151-Y223 WeakPolarHBondContact O-CD1 3.24Å; N151-Y223 VanDerWaalsContact O-CE1 3.31Å; N151-Y223 WeakPolarHBondContact O-CE1 3.44Å; N151-A224 PolarHBondContact ND2-O 3.32Å | ||
| 152 | Y | 92.7 | Very high | 77 | Confident | 89 Ų | 89 | 73.9 Ų | 73.9 | 35% | 0.349 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -75.5 | -5.4 | 173.8 | 64.2 | -87.8 | 0 | 0 | 0 | 112.5 | E194 F195 | Y152-E194 HydrophobicContact CD2-CG 3.8Å; Y152-E194 HydrophobicContact CE2-CG 3.93Å; Y152-F195 WeakPolarHBondContact CD2-O 3.44Å; Y152-F195 PolarHBondContact O-N 3.18Å |
| 153 | I | 94.1 | Very high | 79.6 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.7 | 173.2 | -54.9 | 176.2 | 0 | 0 | 0 | 109.5 | N151 F192 V193 E194 A224 | N151-I153 PolarHBondContact O-N 3.1Å; N151-I153 PolarHBondContact OD1-N 2.83Å; I153-F192 HydrophobicContact CG2-CB 4.22Å; I153-F192 HydrophobicContact CG2-CD1 3.95Å; I153-V193 CarbonylContact C-O 3.39Å; I153-V193 WeakPolarHBondContact CA-O 3.47Å; I153-E194 HydrophobicContact CG1-CG 4.14Å; I153-A224 HydrophobicContact CB-CB 3.85Å; I153-A224 HydrophobicContact CG2-CB 3.67Å; I153-A224 WeakPolarHBondContact O-CB 3.34Å; I153-A224 PolarHBondContact O-N 3.11Å |
| 154 | L | 94.4 | Very high | 82.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 140.7 | 171.4 | -58.4 | 178.6 | 0 | 0 | 0 | 110.5 | L156 F172 F192 V193 F195 A201 A204 R205 I221 T222 Y223 | L154-L156 HydrophobicContact CB-CD1 4.01Å; L154-F172 HydrophobicContact CD1-CE1 3.99Å; L154-F192 CarbonylContact O-C 3.58Å; L154-F192 VanDerWaalsContact O-CA 3.27Å; L154-F192 WeakPolarHBondContact O-CA 3.3Å; L154-V193 HydrophobicContact CB-CB 4.38Å; L154-V193 PolarHBondContact N-O 3.37Å; L154-V193 PolarHBondContact O-N 2.92Å; L154-F195 HydrophobicContact CD1-CD2 4.33Å; L154-F195 HydrophobicContact CD1-CE2 3.89Å; L154-A201 WeakPolarHBondContact CD1-O 3.24Å; L154-A201 HydrophobicContact CD2-CB 4Å; L154-A201 HydrophobicContact CG-CB 4.11Å; L154-A204 HydrophobicContact CD1-CB 4.19Å; L154-R205 HydrophobicContact CD1-CB 4.18Å; L154-R205 HydrophobicContact CD2-CB 3.91Å; L154-I221 HydrophobicContact CB-CG2 3.94Å; L154-I221 HydrophobicContact CD1-CG2 3.95Å; L154-I221 HydrophobicContact CD2-CG2 4.2Å; L154-I221 HydrophobicContact CG-CG2 4.25Å; L154-T222 CarbonylContact C-O 3.55Å; L154-T222 WeakPolarHBondContact CA-O 3.48Å; L154-Y223 HydrophobicContact CD2-CD1 3.82Å; L154-Y223 HydrophobicContact CD2-CE1 4.02Å |
| 155 | F | 95.7 | Very high | 84.5 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.8 | 169.6 | 173.8 | -105.5 | 0 | 0 | 0 | 108.9 | N157 I190 F192 I221 T222 A224 | F155-N157 HydrophobicContact CE1-CB 3.78Å; F155-N157 HydrophobicContact CZ-CB 4.02Å; F155-I190 HydrophobicContact CE2-CB 4Å; F155-I190 HydrophobicContact CE2-CG2 4.08Å; F155-I190 HydrophobicContact CZ-CB 4.27Å; F155-I190 HydrophobicContact CZ-CG2 3.83Å; F155-F192 HydrophobicContact CB-CD1 4.5Å; F155-F192 HydrophobicContact CB-CE1 4.3Å; F155-F192 HydrophobicContact CD2-CD1 4.26Å; F155-F192 AromaticContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE2 4.42Å; F155-F192 AromaticContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CE2-CZ 4.21Å; F155-F192 HydrophobicContact CG-CE1 4.43Å; F155-I221 WeakPolarHBondContact O-CA 3.45Å; F155-T222 PolarHBondContact N-O 3.16Å; F155-T222 PolarHBondContact O-N 3.3Å; F155-A224 HydrophobicContact CB-CB 4.45Å |
| 156 | L | 94.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.1 | 178.9 | -69.2 | 62.6 | 0 | 0 | 0 | 107.6 | L154 L159 L168 F172 I190 A191 V193 M219 K220 I221 | L154-L156 HydrophobicContact CB-CD1 4.01Å; L156-L159 HydrophobicContact CB-CD1 4.25Å; L156-L159 HydrophobicContact CB-CD2 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.47Å; L156-L168 HydrophobicContact CD2-CD1 4.43Å; L156-L168 HydrophobicContact CD2-CD2 4.09Å; L156-F172 HydrophobicContact CD1-CZ 4.3Å; L156-F172 HydrophobicContact CD2-CE2 3.58Å; L156-F172 HydrophobicContact CD2-CZ 3.72Å; L156-F172 HydrophobicContact CG-CZ 4.21Å; L156-I190 WeakPolarHBondContact O-CA 3.39Å; L156-A191 HydrophobicContact CB-CB 4.24Å; L156-A191 HydrophobicContact CD2-CB 4.36Å; L156-A191 PolarHBondContact N-O 3.19Å; L156-A191 PolarHBondContact O-N 2.89Å; L156-V193 HydrophobicContact CD1-CB 4.14Å; L156-V193 HydrophobicContact CD1-CG2 3.52Å; L156-V193 HydrophobicContact CD2-CG2 3.87Å; L156-V193 HydrophobicContact CG-CG2 4.38Å; L156-M219 HydrophobicContact CD2-SD 4.31Å; L156-K220 WeakPolarHBondContact CA-O 3.44Å; L156-I221 HydrophobicContact CG-CG1 4.49Å |
| 157 | N | 92.5 | Very high | 87.9 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 171.2 | 168.9 | 64 | -9.9 | 0 | 0 | 0 | 111.5 | F155 D189 I190 K220 | F155-N157 HydrophobicContact CE1-CB 3.78Å; F155-N157 HydrophobicContact CZ-CB 4.02Å; N157-D189 CarbonylContact C-O 3.44Å; N157-D189 VanDerWaalsContact CA-O 3.29Å; N157-D189 WeakPolarHBondContact CA-O 3.47Å; N157-I190 HydrophobicContact CB-CG2 4.02Å; N157-K220 PolarHBondContact N-O 3.49Å; N157-K220 PolarHBondContact O-N 2.96Å; N157-K220 WeakPolarHBondContact OD1-CB 3.35Å; N157-K220 PolarHBondContact OD1-O 3.07Å; N157-K220 VanDerWaalsContact OD1-O 3.11Å |
| 158 | N | 90.8 | Very high | 89.4 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 64.3 | 38.7 | -174.2 | -161.1 | 49.4 | 0 | 0 | 0 | 113 | D189 A218 | N158-D189 PolarHBondContact N-O 2.64Å; N158-D189 VanDerWaalsContact N-O 3.09Å; N158-A218 PolarHBondContact ND2-O 3.38Å |
| 159 | L | 91.6 | Very high | 89.9 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | trans | -82.7 | 139.7 | 173.7 | -55.9 | 175.8 | 0 | 0 | 0 | 110.7 | L156 T163 L168 D189 A191 I213 M219 | L156-L159 HydrophobicContact CB-CD1 4.25Å; L156-L159 HydrophobicContact CB-CD2 4.36Å; L156-L159 HydrophobicContact CD2-CD2 4.47Å; L159-T163 HydrophobicContact CB-CG2 4.39Å; L159-T163 HydrophobicContact CD1-CG2 4.5Å; L159-L168 HydrophobicContact CD1-CD1 4.02Å; L159-L168 HydrophobicContact CD2-CD2 4.31Å; L159-D189 PolarHBondContact N-O 3.39Å; L159-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 WeakPolarHBondContact O-CA 3.35Å; L159-A191 HydrophobicContact CD1-CB 3.68Å; L159-I213 HydrophobicContact CD2-CD1 3.46Å; L159-I213 VanDerWaalsContact CD2-CD1 3.46Å; L159-M219 HydrophobicContact CD2-CB 3.83Å; L159-M219 HydrophobicContact CD2-SD 4.41Å | ||
| 160 | P | 88.8 | Confident | 89.9 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -57.7 | 151.7 | 168.7 | -17.4 | 20.3 | 0 | 0 | 0 | 112.9 | E162 T163 I213 T214 H217 | P160-E162 PolarHBondContact O-N 2.81Å; P160-T163 WeakPolarHBondContact CB-OG1 3.48Å; P160-T163 WeakPolarHBondContact CD-OG1 3.24Å; P160-T163 WeakPolarHBondContact CG-OG1 3.2Å; P160-T163 WeakPolarHBondContact O-CB 3.33Å; P160-T163 PolarHBondContact O-N 2.7Å; P160-T163 PolarHBondContact O-OG1 3.06Å; P160-I213 HydrophobicContact CG-CB 4.1Å; P160-I213 HydrophobicContact CG-CG2 3.99Å; P160-T214 HydrophobicContact CB-CG2 4.2Å; P160-T214 HydrophobicContact CG-CG2 3.74Å; P160-H217 HydrophobicContact CG-CB 3.74Å | ||
| 161 | E | 83.8 | Confident | 90 | Very high | 153 Ų | 153 | 56.7 Ų | 56.7 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.7 | 178 | -169.7 | 174.2 | -179 | 0 | 0 | 112.8 | T163 H188 | E161-T163 PolarHBondContact O-N 3.3Å; E161-H188 HydrophobicContact CG-CB 4.45Å |
| 162 | E | 84.5 | Confident | 90.1 | Very high | 150 Ų | 150 | 56 Ų | 56 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.8 | 176.2 | -50.2 | 91.7 | 176.3 | 0 | 0 | 113.6 | P160 N164 | P160-E162 PolarHBondContact O-N 2.81Å; E162-N164 PolarHBondContact O-N 3.48Å |
| 163 | T | 86.8 | Confident | 90.1 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | trans | -67.1 | 125.7 | -177.9 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | L159 P160 E161 L168 I213 | L159-T163 HydrophobicContact CB-CG2 4.39Å; L159-T163 HydrophobicContact CD1-CG2 4.5Å; P160-T163 WeakPolarHBondContact CB-OG1 3.48Å; P160-T163 WeakPolarHBondContact CD-OG1 3.24Å; P160-T163 WeakPolarHBondContact CG-OG1 3.2Å; P160-T163 WeakPolarHBondContact O-CB 3.33Å; P160-T163 PolarHBondContact O-N 2.7Å; P160-T163 PolarHBondContact O-OG1 3.06Å; E161-T163 PolarHBondContact O-N 3.3Å; T163-L168 HydrophobicContact CG2-CD1 3.91Å; T163-L168 HydrophobicContact CG2-CD2 3.91Å; T163-L168 HydrophobicContact CG2-CG 3.74Å; T163-I213 HydrophobicContact CG2-CD1 4.23Å | ||
| 164 | N | 88.1 | Confident | 89.8 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | trans | -121.5 | 167.9 | 178.5 | 65.8 | 54.5 | 0 | 0 | 0 | 112.3 | E162 M166 M167 L168 | E162-N164 PolarHBondContact O-N 3.48Å; N164-M166 PolarHBondContact O-N 2.86Å; N164-M166 WeakPolarHBondContact OD1-CB 3.27Å; N164-M166 PolarHBondContact OD1-N 3.12Å; N164-M166 VanDerWaalsContact OD1-N 3.11Å; N164-M167 PolarHBondContact O-N 2.92Å; N164-M167 WeakPolarHBondContact OD1-CG 3.41Å; N164-M167 PolarHBondContact OD1-N 3.36Å; N164-L168 PolarHBondContact O-N 3.22Å | ||
| 165 | E | 88.5 | Confident | 89.8 | Confident | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -34.8 | -176.9 | -171.6 | -174.2 | 149.3 | 0 | 0 | 112.5 | S169 V181 L183 | E165-S169 WeakPolarHBondContact O-CB 3.42Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 3.48Å; E165-V181 HydrophobicContact CG-CB 4.16Å; E165-L183 HydrophobicContact CB-CD1 4.19Å |
| 166 | M | 85.6 | Confident | 89.4 | Confident | 126 Ų | 126 | 65 Ų | 65 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70 | -41.6 | -177.6 | -173.2 | 168.7 | 177.5 | 0 | 0 | 111.7 | N164 S169 M170 | N164-M166 PolarHBondContact O-N 2.86Å; N164-M166 WeakPolarHBondContact OD1-CB 3.27Å; N164-M166 PolarHBondContact OD1-N 3.12Å; N164-M166 VanDerWaalsContact OD1-N 3.11Å; M166-S169 PolarHBondContact O-N 3.36Å; M166-M170 HydrophobicContact CE-CE 3.49Å; M166-M170 VanDerWaalsContact CE-CE 3.49Å; M166-M170 HydrophobicContact CG-CE 4.16Å; M166-M170 WeakPolarHBondContact O-CG 3.35Å; M166-M170 PolarHBondContact O-N 3.45Å |
| 167 | M | 88.8 | Confident | 89.1 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 175.7 | -68.2 | 172.8 | 68.2 | 0 | 0 | 111.5 | N164 M170 L171 I213 | N164-M167 PolarHBondContact O-N 2.92Å; N164-M167 WeakPolarHBondContact OD1-CG 3.41Å; N164-M167 PolarHBondContact OD1-N 3.36Å; M167-M170 PolarHBondContact O-N 3.2Å; M167-L171 WeakPolarHBondContact O-CB 3.39Å; M167-L171 PolarHBondContact O-N 3.37Å; M167-I213 HydrophobicContact CE-CG2 4.09Å |
| 168 | L | 92.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.4 | -66 | 176.5 | 0 | 0 | 0 | 111.2 | L156 L159 T163 N164 M170 L171 F172 V181 L183 A191 I213 | L156-L168 HydrophobicContact CD2-CD1 4.43Å; L156-L168 HydrophobicContact CD2-CD2 4.09Å; L159-L168 HydrophobicContact CD1-CD1 4.02Å; L159-L168 HydrophobicContact CD2-CD2 4.31Å; T163-L168 HydrophobicContact CG2-CD1 3.91Å; T163-L168 HydrophobicContact CG2-CD2 3.91Å; T163-L168 HydrophobicContact CG2-CG 3.74Å; N164-L168 PolarHBondContact O-N 3.22Å; L168-M170 VanDerWaalsContact C-N 3.34Å; L168-M170 PolarHBondContact O-N 3.41Å; L168-L171 PolarHBondContact O-N 2.64Å; L168-F172 HydrophobicContact CD2-CE2 4.43Å; L168-F172 VanDerWaalsContact O-CD2 3.32Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 3.12Å; L168-V181 HydrophobicContact CB-CB 4.44Å; L168-V181 HydrophobicContact CB-CG1 3.84Å; L168-V181 HydrophobicContact CB-CG2 3.97Å; L168-V181 HydrophobicContact CD1-CG1 3.82Å; L168-L183 HydrophobicContact CD1-CD2 3.97Å; L168-A191 HydrophobicContact CD1-CB 3.84Å; L168-I213 HydrophobicContact CD2-CD1 4.07Å |
| 169 | S | 91.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 68 Ų | 68 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 176 | -62.6 | 0 | 0 | 0 | 0 | 111 | E165 M166 L171 F172 N173 | E165-S169 WeakPolarHBondContact O-CB 3.42Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 3.48Å; M166-S169 PolarHBondContact O-N 3.36Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 3.26Å; S169-F172 PolarHBondContact O-N 3.2Å; S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.87Å |
| 170 | M | 84.4 | Confident | 89.1 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60 | -43 | 175.5 | -74.7 | 177.4 | 174.1 | 0 | 0 | 112 | M166 M167 L168 | M166-M170 HydrophobicContact CE-CE 3.49Å; M166-M170 VanDerWaalsContact CE-CE 3.49Å; M166-M170 HydrophobicContact CG-CE 4.16Å; M166-M170 WeakPolarHBondContact O-CG 3.35Å; M166-M170 PolarHBondContact O-N 3.45Å; M167-M170 PolarHBondContact O-N 3.2Å; L168-M170 VanDerWaalsContact C-N 3.34Å; L168-M170 PolarHBondContact O-N 3.41Å |
| 171 | L | 89.4 | Confident | 89.4 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | -178.2 | -174.2 | 60.9 | 0 | 0 | 0 | 113 | M167 L168 S169 Q174 L208 F211 M219 | M167-L171 WeakPolarHBondContact O-CB 3.39Å; M167-L171 PolarHBondContact O-N 3.37Å; L168-L171 PolarHBondContact O-N 2.64Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 3.26Å; L171-Q174 VanDerWaalsContact O-CD 3.25Å; L171-Q174 VanDerWaalsContact O-CG 3.25Å; L171-Q174 WeakPolarHBondContact O-CG 3.47Å; L171-L208 HydrophobicContact CD1-CD2 3.85Å; L171-L208 HydrophobicContact CD2-CD1 4.35Å; L171-L208 HydrophobicContact CD2-CD2 4.42Å; L171-L208 HydrophobicContact CG-CD1 3.94Å; L171-L208 HydrophobicContact CG-CD2 4.1Å; L171-F211 HydrophobicContact CD1-CD1 4.49Å; L171-F211 HydrophobicContact CD1-CE1 4.04Å; L171-F211 HydrophobicContact CD1-CE2 4.47Å; L171-F211 HydrophobicContact CD1-CZ 4.03Å; L171-F211 HydrophobicContact CD2-CD1 3.84Å; L171-F211 HydrophobicContact CD2-CE1 3.86Å; L171-M219 HydrophobicContact CD2-CE 3.41Å; L171-M219 VanDerWaalsContact CD2-CE 3.41Å; L171-M219 HydrophobicContact CD2-SD 4.37Å |
| 172 | F | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -89.8 | -21.8 | -177.4 | -77.6 | -91.8 | 0 | 0 | 0 | 113.6 | L154 L156 L168 S169 Q174 F175 F178 V193 F195 A204 L208 M219 I221 | L154-F172 HydrophobicContact CD1-CE1 3.99Å; L156-F172 HydrophobicContact CD1-CZ 4.3Å; L156-F172 HydrophobicContact CD2-CE2 3.58Å; L156-F172 HydrophobicContact CD2-CZ 3.72Å; L156-F172 HydrophobicContact CG-CZ 4.21Å; L168-F172 HydrophobicContact CD2-CE2 4.43Å; L168-F172 VanDerWaalsContact O-CD2 3.32Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 3.12Å; S169-F172 PolarHBondContact O-N 3.2Å; F172-Q174 PolarHBondContact O-N 3.14Å; F172-Q174 VanDerWaalsContact O-N 3.15Å; F172-F175 PolarHBondContact O-N 2.97Å; F172-F178 HydrophobicContact CB-CD2 3.59Å; F172-F178 HydrophobicContact CB-CE2 3.72Å; F172-F178 HydrophobicContact CB-CG 4.5Å; F172-V193 HydrophobicContact CB-CG1 4.04Å; F172-V193 HydrophobicContact CD1-CB 4.35Å; F172-V193 HydrophobicContact CD1-CG1 3.78Å; F172-V193 HydrophobicContact CD1-CG2 4.27Å; F172-V193 HydrophobicContact CD2-CG2 4.05Å; F172-V193 HydrophobicContact CE1-CB 4.5Å; F172-V193 HydrophobicContact CE1-CG1 4.39Å; F172-V193 HydrophobicContact CE1-CG2 4.28Å; F172-V193 HydrophobicContact CE2-CG2 4.09Å; F172-V193 HydrophobicContact CG-CG1 3.89Å; F172-V193 HydrophobicContact CG-CG2 4.14Å; F172-V193 HydrophobicContact CZ-CG2 4.2Å; F172-F195 HydrophobicContact CB-CZ 4.49Å; F172-F195 AromaticContact CD1-CE2 3.99Å; F172-F195 HydrophobicContact CD1-CE2 3.99Å; F172-F195 AromaticContact CD1-CZ 3.94Å; F172-F195 HydrophobicContact CD1-CZ 3.94Å; F172-A204 HydrophobicContact CD1-CB 4.29Å; F172-A204 HydrophobicContact CE1-CB 4.44Å; F172-L208 HydrophobicContact CD1-CD1 3.82Å; F172-L208 HydrophobicContact CD2-CD1 4.21Å; F172-L208 HydrophobicContact CE1-CD1 3.56Å; F172-L208 HydrophobicContact CE2-CD1 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.16Å; F172-L208 HydrophobicContact CZ-CD1 3.63Å; F172-M219 HydrophobicContact CE2-CE 4.32Å; F172-M219 HydrophobicContact CE2-SD 4.39Å; F172-M219 HydrophobicContact CZ-CE 4.34Å; F172-M219 HydrophobicContact CZ-SD 4.48Å; F172-I221 HydrophobicContact CE1-CD1 4.36Å; F172-I221 HydrophobicContact CZ-CD1 3.93Å |
| 173 | N | 92.6 | Very high | 89.9 | Confident | 110 Ų | 110 | 67.1 Ų | 67.1 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -15.7 | 177 | -176.7 | 80.8 | 0 | 0 | 0 | 113.6 | S169 F175 F178 | S169-N173 WeakPolarHBondContact O-CB 3.41Å; S169-N173 PolarHBondContact O-N 2.87Å; N173-F175 PolarHBondContact O-N 2.92Å; N173-F178 HydrophobicContact CB-CD1 3.92Å; N173-F178 HydrophobicContact CB-CE1 4.22Å; N173-F178 HydrophobicContact CB-CG 4.46Å |
| 174 | Q | 88.9 | Confident | 89.8 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.7 | 173.4 | 75.8 | -168.8 | 12.7 | 0 | 0 | 113.3 | L171 F172 | L171-Q174 VanDerWaalsContact O-CD 3.25Å; L171-Q174 VanDerWaalsContact O-CG 3.25Å; L171-Q174 WeakPolarHBondContact O-CG 3.47Å; F172-Q174 PolarHBondContact O-N 3.14Å; F172-Q174 VanDerWaalsContact O-N 3.15Å |
| 175 | F | 93.4 | Very high | 89.6 | Confident | 30 Ų | 30 | 71 Ų | 71 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -96.2 | 134.2 | 178 | -63.4 | -84.3 | 0 | 0 | 0 | 110.6 | F172 N173 F178 F195 A204 A207 L208 | F172-F175 PolarHBondContact O-N 2.97Å; N173-F175 PolarHBondContact O-N 2.92Å; F175-F178 PolarHBondContact O-N 3.42Å; F175-F195 HydrophobicContact CB-CE1 3.71Å; F175-F195 HydrophobicContact CB-CZ 4.04Å; F175-A204 HydrophobicContact CB-CB 3.98Å; F175-A204 HydrophobicContact CD1-CB 3.92Å; F175-A204 HydrophobicContact CD2-CB 3.81Å; F175-A204 HydrophobicContact CE1-CB 4.39Å; F175-A204 HydrophobicContact CE2-CB 4.3Å; F175-A204 HydrophobicContact CG-CB 3.61Å; F175-A207 HydrophobicContact CE1-CB 3.53Å; F175-A207 HydrophobicContact CZ-CB 3.51Å; F175-L208 HydrophobicContact CD2-CD1 4.22Å; F175-L208 HydrophobicContact CE2-CD1 3.45Å; F175-L208 VanDerWaalsContact CE2-CD1 3.45Å; F175-L208 HydrophobicContact CE2-CD2 4.17Å; F175-L208 HydrophobicContact CE2-CG 3.61Å; F175-L208 HydrophobicContact CZ-CD1 4.18Å; F175-L208 HydrophobicContact CZ-CD2 4.34Å; F175-L208 HydrophobicContact CZ-CG 3.83Å |
| 176 | P | 88.4 | Confident | 89.4 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 141.1 | 177.7 | -26.2 | 34.5 | 0 | 0 | 0 | 112.7 | F178 Q200 | P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 2.89Å; P176-Q200 WeakPolarHBondContact O-CB 3.31Å; P176-Q200 WeakPolarHBondContact O-CG 3.34Å |
| 177 | G | 88.6 | Confident | 89.5 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 11.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K179 F195 E196 | G177-K179 PolarHBondContact O-N 2.68Å; G177-F195 CarbonylContact O-C 3.58Å; G177-F195 WeakPolarHBondContact O-CA 3.44Å; G177-E196 PolarHBondContact O-N 2.8Å |
| 178 | F | 93.3 | Very high | 89.3 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 132.9 | 167.6 | 170.1 | -100.5 | 0 | 0 | 0 | 111 | F172 N173 F175 P176 V181 V193 F195 | F172-F178 HydrophobicContact CB-CD2 3.59Å; F172-F178 HydrophobicContact CB-CE2 3.72Å; F172-F178 HydrophobicContact CB-CG 4.5Å; N173-F178 HydrophobicContact CB-CD1 3.92Å; N173-F178 HydrophobicContact CB-CE1 4.22Å; N173-F178 HydrophobicContact CB-CG 4.46Å; F175-F178 PolarHBondContact O-N 3.42Å; P176-F178 VanDerWaalsContact C-N 3.32Å; P176-F178 PolarHBondContact O-N 2.89Å; F178-V181 HydrophobicContact CE2-CG2 3.62Å; F178-V181 HydrophobicContact CZ-CG2 3.79Å; F178-V193 HydrophobicContact CD2-CG1 3.92Å; F178-V193 HydrophobicContact CE2-CG1 3.89Å; F178-F195 HydrophobicContact CB-CD1 4.44Å; F178-F195 HydrophobicContact CB-CE1 3.94Å; F178-F195 HydrophobicContact CB-CZ 4.43Å; F178-F195 HydrophobicContact CD2-CZ 4.5Å |
| 179 | K | 90.4 | Very high | 89.1 | Confident | 103 Ų | 103 | 75 Ų | 75 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -61.8 | 177.7 | -70 | 178.3 | 179.2 | 154 | 0 | 113.1 | G177 E194 F195 | G177-K179 PolarHBondContact O-N 2.68Å; K179-E194 HydrophobicContact CB-CB 4.34Å; K179-E194 HydrophobicContact CB-CG 4.5Å; K179-E194 WeakPolarHBondContact CB-O 3.38Å; K179-E194 HydrophobicContact CD-CG 3.98Å; K179-E194 WeakPolarHBondContact CD-OE1 2.99Å; K179-E194 PolarHBondContact N-O 2.98Å; K179-E194 IonicContact NZ-OE1 2.84Å; K179-E194 PolarHBondContact NZ-OE1 3Å; K179-F195 PolarHBondContact NZ-O 3.36Å; K179-F195 VanDerWaalsContact NZ-O 3.14Å |
| 180 | E | 91.1 | Very high | 89.2 | Confident | 102 Ų | 102 | 74.4 Ų | 74.4 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.7 | -176.5 | 65.5 | 172.6 | -155.4 | 0 | 0 | 113.2 | V193 E194 | E180-V193 WeakPolarHBondContact O-CA 3.47Å; E180-E194 HydrophobicContact CG-CB 4.17Å; E180-E194 PolarHBondContact O-N 2.74Å |
| 181 | V | 95.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.5 | 165.1 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | E165 L168 F178 A191 F192 V193 | E165-V181 HydrophobicContact CG-CB 4.16Å; L168-V181 HydrophobicContact CB-CB 4.44Å; L168-V181 HydrophobicContact CB-CG1 3.84Å; L168-V181 HydrophobicContact CB-CG2 3.97Å; L168-V181 HydrophobicContact CD1-CG1 3.82Å; F178-V181 HydrophobicContact CE2-CG2 3.62Å; F178-V181 HydrophobicContact CZ-CG2 3.79Å; V181-A191 HydrophobicContact CG1-CB 4.37Å; V181-F192 CarbonylContact C-O 3.49Å; V181-F192 WeakPolarHBondContact CA-O 3.34Å; V181-V193 HydrophobicContact CG1-CG2 4.33Å; V181-V193 HydrophobicContact CG2-CG2 4.05Å |
| 182 | R | 93.1 | Very high | 90 | Very high | 142 Ų | 142 | 69.4 Ų | 69.4 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 108.3 | 174.9 | -176.2 | 177.5 | 62.2 | 147.9 | 0.9 | 110.5 | A191 F192 | R182-A191 WeakPolarHBondContact O-CA 3.4Å; R182-F192 HydrophobicContact CB-CB 4.46Å; R182-F192 PolarHBondContact N-O 3.41Å; R182-F192 PolarHBondContact O-N 3.32Å |
| 183 | L | 85 | Confident | 90.1 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 150.2 | 168.2 | -66.7 | 173.2 | 0 | 0 | 0 | 110.8 | E165 L168 A191 | E165-L183 HydrophobicContact CB-CD1 4.19Å; L168-L183 HydrophobicContact CD1-CD2 3.97Å; L183-A191 HydrophobicContact CD2-CB 3.8Å |
| 184 | V | 85.4 | Confident | 90.2 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 24% | 0.242 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.8 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | G186 R187 I190 F192 | V184-G186 PolarHBondContact O-N 2.77Å; V184-R187 HydrophobicContact CB-CB 4.21Å; V184-R187 HydrophobicContact CG1-CB 4.14Å; V184-R187 CarbonylContact O-C 3.53Å; V184-R187 PolarHBondContact O-N 2.94Å; V184-I190 HydrophobicContact CB-CD1 3.79Å; V184-I190 HydrophobicContact CB-CG1 3.74Å; V184-I190 HydrophobicContact CG1-CD1 4.08Å; V184-I190 HydrophobicContact CG2-CD1 3.61Å; V184-I190 HydrophobicContact CG2-CG1 3.66Å; V184-F192 HydrophobicContact CG2-CD2 4.1Å; V184-F192 HydrophobicContact CG2-CE2 3.77Å |
| 185 | P | 82.7 | Confident | 90.5 | Very high | 119 Ų | 119 | 60.6 Ų | 60.6 | 77% | 0.773 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 125.1 | 177.1 | -24.3 | 34.4 | 0 | 0 | 0 | 111.7 | R187 | P185-R187 VanDerWaalsContact C-N 3.3Š|
| 186 | G | 84.6 | Confident | 90.3 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 3.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | V184 | V184-G186 PolarHBondContact O-N 2.77Š|
| 187 | R | 87 | Confident | 90.4 | Very high | 160 Ų | 160 | 64 Ų | 64 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 94.7 | 170.8 | -70.5 | -166.4 | 163.4 | -171.3 | -6 | 110.4 | V184 P185 D189 I190 | V184-R187 HydrophobicContact CB-CB 4.21Å; V184-R187 HydrophobicContact CG1-CB 4.14Å; V184-R187 CarbonylContact O-C 3.53Å; V184-R187 PolarHBondContact O-N 2.94Å; P185-R187 VanDerWaalsContact C-N 3.3Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-I190 HydrophobicContact CB-CD1 3.74Å; R187-I190 HydrophobicContact CB-CG1 3.72Å; R187-I190 HydrophobicContact CG-CD1 4.36Å |
| 188 | H | 85.1 | Confident | 90.5 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -16.6 | -175.7 | -64.9 | -84.3 | 0 | 0 | 0 | 113.2 | E161 I190 | E161-H188 HydrophobicContact CG-CB 4.45Å; H188-I190 VanDerWaalsContact C-N 3.27Å; H188-I190 PolarHBondContact O-N 2.93Å |
| 189 | D | 88.7 | Confident | 90.3 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -5.8 | -179 | 65.7 | -50.4 | 0 | 0 | 0 | 113.6 | N157 N158 L159 R187 | N157-D189 CarbonylContact C-O 3.44Å; N157-D189 VanDerWaalsContact CA-O 3.29Å; N157-D189 WeakPolarHBondContact CA-O 3.47Å; N158-D189 PolarHBondContact N-O 2.64Å; N158-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 PolarHBondContact N-O 3.39Å; L159-D189 VanDerWaalsContact N-O 3.09Å; L159-D189 WeakPolarHBondContact O-CA 3.35Å; R187-D189 VanDerWaalsContact C-N 3.29Å |
| 190 | I | 92.4 | Very high | 90.3 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.087 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.9 | -175.6 | 65.2 | 178.5 | 0 | 0 | 0 | 113.6 | F155 L156 N157 V184 R187 H188 | F155-I190 HydrophobicContact CE2-CB 4Å; F155-I190 HydrophobicContact CE2-CG2 4.08Å; F155-I190 HydrophobicContact CZ-CB 4.27Å; F155-I190 HydrophobicContact CZ-CG2 3.83Å; L156-I190 WeakPolarHBondContact O-CA 3.39Å; N157-I190 HydrophobicContact CB-CG2 4.02Å; V184-I190 HydrophobicContact CB-CD1 3.79Å; V184-I190 HydrophobicContact CB-CG1 3.74Å; V184-I190 HydrophobicContact CG1-CD1 4.08Å; V184-I190 HydrophobicContact CG2-CD1 3.61Å; V184-I190 HydrophobicContact CG2-CG1 3.66Å; R187-I190 HydrophobicContact CB-CD1 3.74Å; R187-I190 HydrophobicContact CB-CG1 3.72Å; R187-I190 HydrophobicContact CG-CD1 4.36Å; H188-I190 VanDerWaalsContact C-N 3.27Å; H188-I190 PolarHBondContact O-N 2.93Å |
| 191 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L156 L159 L168 V181 R182 L183 | L156-A191 HydrophobicContact CB-CB 4.24Å; L156-A191 HydrophobicContact CD2-CB 4.36Å; L156-A191 PolarHBondContact N-O 3.19Å; L156-A191 PolarHBondContact O-N 2.89Å; L159-A191 HydrophobicContact CD1-CB 3.68Å; L168-A191 HydrophobicContact CD1-CB 3.84Å; V181-A191 HydrophobicContact CG1-CB 4.37Å; R182-A191 WeakPolarHBondContact O-CA 3.4Å; L183-A191 HydrophobicContact CD2-CB 3.8Å |
| 192 | F | 96.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.5 | 169.4 | -66 | -87.4 | 0 | 0 | 0 | 109.7 | I153 L154 F155 V181 R182 V184 A224 | I153-F192 HydrophobicContact CG2-CB 4.22Å; I153-F192 HydrophobicContact CG2-CD1 3.95Å; L154-F192 CarbonylContact O-C 3.58Å; L154-F192 VanDerWaalsContact O-CA 3.27Å; L154-F192 WeakPolarHBondContact O-CA 3.3Å; F155-F192 HydrophobicContact CB-CD1 4.5Å; F155-F192 HydrophobicContact CB-CE1 4.3Å; F155-F192 HydrophobicContact CD2-CD1 4.26Å; F155-F192 AromaticContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE1 3.67Å; F155-F192 HydrophobicContact CD2-CE2 4.42Å; F155-F192 AromaticContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CD2-CZ 3.76Å; F155-F192 HydrophobicContact CE2-CZ 4.21Å; F155-F192 HydrophobicContact CG-CE1 4.43Å; V181-F192 CarbonylContact C-O 3.49Å; V181-F192 WeakPolarHBondContact CA-O 3.34Å; R182-F192 HydrophobicContact CB-CB 4.46Å; R182-F192 PolarHBondContact N-O 3.41Å; R182-F192 PolarHBondContact O-N 3.32Å; V184-F192 HydrophobicContact CG2-CD2 4.1Å; V184-F192 HydrophobicContact CG2-CE2 3.77Å; F192-A224 HydrophobicContact CD1-CB 4.26Å; F192-A224 HydrophobicContact CE1-CB 4.22Å |
| 193 | V | 96.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.1 | 173.8 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | I153 L154 L156 F172 F178 E180 V181 F195 | I153-V193 CarbonylContact C-O 3.39Å; I153-V193 WeakPolarHBondContact CA-O 3.47Å; L154-V193 HydrophobicContact CB-CB 4.38Å; L154-V193 PolarHBondContact N-O 3.37Å; L154-V193 PolarHBondContact O-N 2.92Å; L156-V193 HydrophobicContact CD1-CB 4.14Å; L156-V193 HydrophobicContact CD1-CG2 3.52Å; L156-V193 HydrophobicContact CD2-CG2 3.87Å; L156-V193 HydrophobicContact CG-CG2 4.38Å; F172-V193 HydrophobicContact CB-CG1 4.04Å; F172-V193 HydrophobicContact CD1-CB 4.35Å; F172-V193 HydrophobicContact CD1-CG1 3.78Å; F172-V193 HydrophobicContact CD1-CG2 4.27Å; F172-V193 HydrophobicContact CD2-CG2 4.05Å; F172-V193 HydrophobicContact CE1-CB 4.5Å; F172-V193 HydrophobicContact CE1-CG1 4.39Å; F172-V193 HydrophobicContact CE1-CG2 4.28Å; F172-V193 HydrophobicContact CE2-CG2 4.09Å; F172-V193 HydrophobicContact CG-CG1 3.89Å; F172-V193 HydrophobicContact CG-CG2 4.14Å; F172-V193 HydrophobicContact CZ-CG2 4.2Å; F178-V193 HydrophobicContact CD2-CG1 3.92Å; F178-V193 HydrophobicContact CE2-CG1 3.89Å; E180-V193 WeakPolarHBondContact O-CA 3.47Å; V181-V193 HydrophobicContact CG1-CG2 4.33Å; V181-V193 HydrophobicContact CG2-CG2 4.05Å; V193-F195 HydrophobicContact CG1-CD2 4.13Å; V193-F195 HydrophobicContact CG1-CE2 3.57Å; V193-F195 HydrophobicContact CG1-CZ 4.3Å |
| 194 | E | 95 | Very high | 90.5 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.4 | 178.7 | -169.1 | -176.5 | 146.6 | 0 | 0 | 111.1 | Y152 I153 K179 E180 | Y152-E194 HydrophobicContact CD2-CG 3.8Å; Y152-E194 HydrophobicContact CE2-CG 3.93Å; I153-E194 HydrophobicContact CG1-CG 4.14Å; K179-E194 HydrophobicContact CB-CB 4.34Å; K179-E194 HydrophobicContact CB-CG 4.5Å; K179-E194 WeakPolarHBondContact CB-O 3.38Å; K179-E194 HydrophobicContact CD-CG 3.98Å; K179-E194 WeakPolarHBondContact CD-OE1 2.99Å; K179-E194 PolarHBondContact N-O 2.98Å; K179-E194 IonicContact NZ-OE1 2.84Å; K179-E194 PolarHBondContact NZ-OE1 3Å; E180-E194 HydrophobicContact CG-CB 4.17Å; E180-E194 PolarHBondContact O-N 2.74Å |
| 195 | F | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 169.7 | 170 | -76 | -92.9 | 0 | 0 | 0 | 112 | Y152 L154 F172 F175 G177 F178 K179 V193 Q200 A201 A204 | Y152-F195 WeakPolarHBondContact CD2-O 3.44Å; Y152-F195 PolarHBondContact O-N 3.18Å; L154-F195 HydrophobicContact CD1-CD2 4.33Å; L154-F195 HydrophobicContact CD1-CE2 3.89Å; F172-F195 HydrophobicContact CB-CZ 4.49Å; F172-F195 AromaticContact CD1-CE2 3.99Å; F172-F195 HydrophobicContact CD1-CE2 3.99Å; F172-F195 AromaticContact CD1-CZ 3.94Å; F172-F195 HydrophobicContact CD1-CZ 3.94Å; F175-F195 HydrophobicContact CB-CE1 3.71Å; F175-F195 HydrophobicContact CB-CZ 4.04Å; G177-F195 CarbonylContact O-C 3.58Å; G177-F195 WeakPolarHBondContact O-CA 3.44Å; F178-F195 HydrophobicContact CB-CD1 4.44Å; F178-F195 HydrophobicContact CB-CE1 3.94Å; F178-F195 HydrophobicContact CB-CZ 4.43Å; F178-F195 HydrophobicContact CD2-CZ 4.5Å; K179-F195 PolarHBondContact NZ-O 3.36Å; K179-F195 VanDerWaalsContact NZ-O 3.14Å; V193-F195 HydrophobicContact CG1-CD2 4.13Å; V193-F195 HydrophobicContact CG1-CE2 3.57Å; V193-F195 HydrophobicContact CG1-CZ 4.3Å; F195-Q200 HydrophobicContact CB-CB 4.41Å; F195-Q200 HydrophobicContact CD1-CB 3.98Å; F195-Q200 HydrophobicContact CG-CB 4.48Å; F195-A201 HydrophobicContact CB-CB 4.05Å; F195-A201 HydrophobicContact CD2-CB 3.93Å; F195-A201 HydrophobicContact CG-CB 4.14Å; F195-A204 HydrophobicContact CE1-CB 4.13Å; F195-A204 HydrophobicContact CE2-CB 3.81Å; F195-A204 HydrophobicContact CZ-CB 3.42Å; F195-A204 VanDerWaalsContact CZ-CB 3.42Å |
| 196 | E | 88.8 | Confident | 91.3 | Very high | 132 Ų | 132 | 53.9 Ų | 53.9 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69.9 | -38 | 174.8 | -176.8 | 175.6 | -158.6 | 0 | 0 | 112.3 | G177 | G177-E196 PolarHBondContact O-N 2.8Š|
| 197 | N | 91.4 | Very high | 91.4 | Very high | 67 Ų | 67 | 53.6 Ų | 53.6 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -144.6 | 167.7 | 176.4 | 63.1 | 64.4 | 0 | 0 | 0 | 113.4 | G199 Q200 A201 | N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 PolarHBondContact OD1-N 3.33Å; N197-Q200 PolarHBondContact ND2-NE2 3.03Å; N197-Q200 PolarHBondContact ND2-OE1 2.71Å; N197-Q200 VanDerWaalsContact ND2-OE1 3.15Å; N197-Q200 WeakPolarHBondContact OD1-CG 3.5Å; N197-Q200 PolarHBondContact OD1-N 2.98Å; N197-A201 PolarHBondContact O-N 3Å; N197-A201 VanDerWaalsContact O-N 3.17Å |
| 198 | E | 89.8 | Confident | 91.7 | Very high | 109 Ų | 109 | 46.2 Ų | 46.2 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68 | -30.3 | -177.5 | 64.9 | -175.1 | -174.1 | 0 | 0 | 113.7 | P150 A201 G202 | P150-E198 HydrophobicContact CB-CB 4.36Å; E198-A201 PolarHBondContact O-N 3.2Å; E198-G202 PolarHBondContact O-N 3.44Å |
| 199 | G | 89.4 | Confident | 92 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N197 G202 A203 | N197-G199 PolarHBondContact O-N 3.02Å; N197-G199 PolarHBondContact OD1-N 3.33Å; G199-G202 PolarHBondContact O-N 2.87Å; G199-A203 PolarHBondContact O-N 2.88Å |
| 200 | Q | 91.4 | Very high | 92 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 174.8 | -72 | 164.6 | -13.5 | 0 | 0 | 112.3 | P176 F195 N197 G202 A203 A204 | P176-Q200 WeakPolarHBondContact O-CB 3.31Å; P176-Q200 WeakPolarHBondContact O-CG 3.34Å; F195-Q200 HydrophobicContact CB-CB 4.41Å; F195-Q200 HydrophobicContact CD1-CB 3.98Å; F195-Q200 HydrophobicContact CG-CB 4.48Å; N197-Q200 PolarHBondContact ND2-NE2 3.03Å; N197-Q200 PolarHBondContact ND2-OE1 2.71Å; N197-Q200 VanDerWaalsContact ND2-OE1 3.15Å; N197-Q200 WeakPolarHBondContact OD1-CG 3.5Å; N197-Q200 PolarHBondContact OD1-N 2.98Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; Q200-G202 PolarHBondContact O-N 2.89Å; Q200-A203 PolarHBondContact O-N 2.84Å; Q200-A204 PolarHBondContact O-N 3.5Å |
| 201 | A | 91.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | N151 L154 F195 N197 E198 A204 R205 Y223 | N151-A201 VanDerWaalsContact O-CB 3.31Å; N151-A201 WeakPolarHBondContact O-CB 3.31Å; L154-A201 WeakPolarHBondContact CD1-O 3.24Å; L154-A201 HydrophobicContact CD2-CB 4Å; L154-A201 HydrophobicContact CG-CB 4.11Å; F195-A201 HydrophobicContact CB-CB 4.05Å; F195-A201 HydrophobicContact CD2-CB 3.93Å; F195-A201 HydrophobicContact CG-CB 4.14Å; N197-A201 PolarHBondContact O-N 3Å; N197-A201 VanDerWaalsContact O-N 3.17Å; E198-A201 PolarHBondContact O-N 3.2Å; A201-A204 PolarHBondContact O-N 3.07Å; A201-R205 WeakPolarHBondContact O-CB 3.5Å; A201-R205 PolarHBondContact O-N 3.32Å; A201-Y223 HydrophobicContact CB-CE1 4.41Å |
| 202 | G | 91.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E198 G199 Q200 A204 R205 D206 Y223 | E198-G202 PolarHBondContact O-N 3.44Å; G199-G202 PolarHBondContact O-N 2.87Å; Q200-G202 VanDerWaalsContact C-N 3.31Å; Q200-G202 PolarHBondContact O-N 2.89Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.31Å; G202-R205 WeakPolarHBondContact O-CB 3.33Å; G202-R205 PolarHBondContact O-N 2.71Å; G202-D206 VanDerWaalsContact O-CG 3.26Å; G202-D206 PolarHBondContact O-N 2.77Å; G202-Y223 WeakPolarHBondContact CA-OH 3.3Å |
| 203 | A | 90.9 | Very high | 90.9 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G199 Q200 A207 | G199-A203 PolarHBondContact O-N 2.88Å; Q200-A203 PolarHBondContact O-N 2.84Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.38Å; A203-A207 VanDerWaalsContact O-N 3.12Å |
| 204 | A | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L154 F172 F175 F195 Q200 A201 G202 L208 | L154-A204 HydrophobicContact CD1-CB 4.19Å; F172-A204 HydrophobicContact CD1-CB 4.29Å; F172-A204 HydrophobicContact CE1-CB 4.44Å; F175-A204 HydrophobicContact CB-CB 3.98Å; F175-A204 HydrophobicContact CD1-CB 3.92Å; F175-A204 HydrophobicContact CD2-CB 3.81Å; F175-A204 HydrophobicContact CE1-CB 4.39Å; F175-A204 HydrophobicContact CE2-CB 4.3Å; F175-A204 HydrophobicContact CG-CB 3.61Å; F195-A204 HydrophobicContact CE1-CB 4.13Å; F195-A204 HydrophobicContact CE2-CB 3.81Å; F195-A204 HydrophobicContact CZ-CB 3.42Å; F195-A204 VanDerWaalsContact CZ-CB 3.42Å; Q200-A204 PolarHBondContact O-N 3.5Å; A201-A204 PolarHBondContact O-N 3.07Å; G202-A204 VanDerWaalsContact C-N 3.32Å; G202-A204 PolarHBondContact O-N 3.31Å; A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.18Å; A204-L208 PolarHBondContact O-N 3.33Å |
| 205 | R | 94.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -53.6 | 175 | 170.4 | -173.5 | 171.9 | -101.6 | 16.3 | 110.8 | D147 L154 A201 G202 A207 L208 Q209 I221 | D147-R205 IonicContact OD1-CZ 3.57Å; D147-R205 IonicContact OD1-NE 3.62Å; D147-R205 IonicContact OD1-NH2 2.71Å; D147-R205 PolarHBondContact OD1-NH2 2.74Å; D147-R205 IonicContact OD2-CZ 3.91Å; D147-R205 IonicContact OD2-NH2 2.89Å; D147-R205 PolarHBondContact OD2-NH2 3.43Å; L154-R205 HydrophobicContact CD1-CB 4.18Å; L154-R205 HydrophobicContact CD2-CB 3.91Å; A201-R205 WeakPolarHBondContact O-CB 3.5Å; A201-R205 PolarHBondContact O-N 3.32Å; G202-R205 WeakPolarHBondContact O-CB 3.33Å; G202-R205 PolarHBondContact O-N 2.71Å; R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.96Å; R205-L208 PolarHBondContact O-N 2.94Å; R205-Q209 VanDerWaalsContact O-CB 3.29Å; R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.31Å; R205-I221 HydrophobicContact CB-CG2 3.99Å; R205-I221 HydrophobicContact CG-CB 4.21Å; R205-I221 HydrophobicContact CG-CG2 3.9Å |
| 206 | D | 90.6 | Very high | 88.5 | Confident | 106 Ų | 106 | 63.4 Ų | 63.4 | 57% | 0.567 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | -172.8 | -64.3 | -15.7 | 0 | 0 | 0 | 111.2 | G202 | G202-D206 VanDerWaalsContact O-CG 3.26Å; G202-D206 PolarHBondContact O-N 2.77Å |
| 207 | A | 88.7 | Confident | 88.2 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.5 | -30.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | F175 A203 R205 | F175-A207 HydrophobicContact CE1-CB 3.53Å; F175-A207 HydrophobicContact CZ-CB 3.51Å; A203-A207 VanDerWaalsContact O-CB 3.27Å; A203-A207 WeakPolarHBondContact O-CB 3.49Å; A203-A207 PolarHBondContact O-N 3.38Å; A203-A207 VanDerWaalsContact O-N 3.12Å; R205-A207 VanDerWaalsContact C-N 3.31Å; R205-A207 PolarHBondContact O-N 2.96Å |
| 208 | L | 93.3 | Very high | 88 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -106.2 | 2.2 | -175.6 | -68.7 | -179.6 | 0 | 0 | 0 | 113.8 | L171 F172 F175 A204 R205 G210 F211 M219 I221 | L171-L208 HydrophobicContact CD1-CD2 3.85Å; L171-L208 HydrophobicContact CD2-CD1 4.35Å; L171-L208 HydrophobicContact CD2-CD2 4.42Å; L171-L208 HydrophobicContact CG-CD1 3.94Å; L171-L208 HydrophobicContact CG-CD2 4.1Å; F172-L208 HydrophobicContact CD1-CD1 3.82Å; F172-L208 HydrophobicContact CD2-CD1 4.21Å; F172-L208 HydrophobicContact CE1-CD1 3.56Å; F172-L208 HydrophobicContact CE2-CD1 3.95Å; F172-L208 HydrophobicContact CG-CD1 4.16Å; F172-L208 HydrophobicContact CZ-CD1 3.63Å; F175-L208 HydrophobicContact CD2-CD1 4.22Å; F175-L208 HydrophobicContact CE2-CD1 3.45Å; F175-L208 VanDerWaalsContact CE2-CD1 3.45Å; F175-L208 HydrophobicContact CE2-CD2 4.17Å; F175-L208 HydrophobicContact CE2-CG 3.61Å; F175-L208 HydrophobicContact CZ-CD1 4.18Å; F175-L208 HydrophobicContact CZ-CD2 4.34Å; F175-L208 HydrophobicContact CZ-CG 3.83Å; A204-L208 VanDerWaalsContact O-CB 3.27Å; A204-L208 WeakPolarHBondContact O-CB 3.18Å; A204-L208 PolarHBondContact O-N 3.33Å; R205-L208 PolarHBondContact O-N 2.94Å; L208-G210 PolarHBondContact O-N 3.17Å; L208-F211 HydrophobicContact CD2-CB 4.37Å; L208-F211 HydrophobicContact CD2-CD2 4.24Å; L208-F211 HydrophobicContact CD2-CG 4.27Å; L208-F211 WeakPolarHBondContact O-CB 3.27Å; L208-F211 PolarHBondContact O-N 2.98Å; L208-M219 HydrophobicContact CB-CE 3.72Å; L208-M219 HydrophobicContact CD1-CE 4.16Å; L208-M219 HydrophobicContact CD2-CE 4.33Å; L208-M219 HydrophobicContact CG-CE 4.31Å; L208-I221 HydrophobicContact CB-CD1 3.5Å; L208-I221 VanDerWaalsContact CB-CD1 3.5Å; L208-I221 WeakPolarHBondContact O-CD1 3.43Å |
| 209 | Q | 91 | Very high | 88.1 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 45% | 0.453 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 122.7 | 179.4 | -178.5 | 65.6 | -18.3 | 0 | 0 | 110.8 | R205 F211 I221 | R205-Q209 VanDerWaalsContact O-CB 3.29Å; R205-Q209 WeakPolarHBondContact O-CB 3.44Å; R205-Q209 PolarHBondContact O-N 3.31Å; Q209-F211 PolarHBondContact O-N 3.44Å; Q209-I221 PolarHBondContact OE1-O 3.38Å |
| 210 | G | 87.4 | Confident | 88.2 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 8.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L208 K212 A218 M219 | L208-G210 PolarHBondContact O-N 3.17Å; G210-K212 PolarHBondContact O-N 2.98Å; G210-A218 WeakPolarHBondContact O-CB 3.12Å; G210-M219 WeakPolarHBondContact CA-O 3.48Å; G210-M219 PolarHBondContact N-O 2.94Å |
| 211 | F | 90.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 52.3 Ų | 52.3 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -59.2 | 131.9 | 176 | 179.4 | -89.9 | 0 | 0 | 0 | 110.5 | L171 L208 Q209 I213 A218 M219 | L171-F211 HydrophobicContact CD1-CD1 4.49Å; L171-F211 HydrophobicContact CD1-CE1 4.04Å; L171-F211 HydrophobicContact CD1-CE2 4.47Å; L171-F211 HydrophobicContact CD1-CZ 4.03Å; L171-F211 HydrophobicContact CD2-CD1 3.84Å; L171-F211 HydrophobicContact CD2-CE1 3.86Å; L208-F211 HydrophobicContact CD2-CB 4.37Å; L208-F211 HydrophobicContact CD2-CD2 4.24Å; L208-F211 HydrophobicContact CD2-CG 4.27Å; L208-F211 WeakPolarHBondContact O-CB 3.27Å; L208-F211 PolarHBondContact O-N 2.98Å; Q209-F211 PolarHBondContact O-N 3.44Å; F211-I213 HydrophobicContact CD1-CG1 4.27Å; F211-I213 PolarHBondContact O-N 3.33Å; F211-A218 WeakPolarHBondContact O-CA 3.41Å; F211-M219 HydrophobicContact CB-CE 3.59Å; F211-M219 HydrophobicContact CB-CG 4.37Å; F211-M219 HydrophobicContact CD1-CE 3.83Å; F211-M219 HydrophobicContact CG-CE 4.02Å; F211-M219 WeakPolarHBondContact O-CG 3.45Å; F211-M219 PolarHBondContact O-N 3.47Å | ||
| 212 | K | 86.8 | Confident | 88.4 | Confident | 136 Ų | 136 | 52.8 Ų | 52.8 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 105.1 | -177.2 | -70.7 | -173.9 | 178.7 | -170.2 | 0 | 110.5 | G210 T214 H217 A218 | G210-K212 PolarHBondContact O-N 2.98Å; K212-T214 VanDerWaalsContact C-N 3.34Å; K212-H217 WeakPolarHBondContact CA-O 3.42Å; K212-A218 HydrophobicContact CG-CB 4.07Å |
| 213 | I | 82.9 | Confident | 88.5 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -38.4 | 174.4 | -60.8 | -179.4 | 0 | 0 | 0 | 109.9 | L159 P160 T163 M167 L168 F211 H217 M219 | L159-I213 HydrophobicContact CD2-CD1 3.46Å; L159-I213 VanDerWaalsContact CD2-CD1 3.46Å; P160-I213 HydrophobicContact CG-CB 4.1Å; P160-I213 HydrophobicContact CG-CG2 3.99Å; T163-I213 HydrophobicContact CG2-CD1 4.23Å; M167-I213 HydrophobicContact CE-CG2 4.09Å; L168-I213 HydrophobicContact CD2-CD1 4.07Å; F211-I213 HydrophobicContact CD1-CG1 4.27Å; F211-I213 PolarHBondContact O-N 3.33Å; I213-H217 PolarHBondContact N-O 3.42Å; I213-M219 HydrophobicContact CD1-CB 4.11Å; I213-M219 HydrophobicContact CD1-CG 4.41Å; I213-M219 HydrophobicContact CD1-SD 3.99Å; I213-M219 HydrophobicContact CG1-CB 4.45Å; I213-M219 HydrophobicContact CG1-CG 4.49Å; I213-M219 HydrophobicContact CG1-SD 4.35Å |
| 214 | T | 78.1 | Confident | 88.4 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 23% | 0.233 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 160.7 | 167.4 | 62.5 | 0 | 0 | 0 | 0 | 108.8 | P160 K212 S216 H217 | P160-T214 HydrophobicContact CB-CG2 4.2Å; P160-T214 HydrophobicContact CG-CG2 3.74Å; K212-T214 VanDerWaalsContact C-N 3.34Å; T214-S216 PolarHBondContact O-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.42Å; T214-H217 PolarHBondContact O-N 3.13Å; T214-H217 WeakPolarHBondContact OG1-CB 3.41Å; T214-H217 PolarHBondContact OG1-N 3.37Å; T214-H217 PolarHBondContact OG1-ND1 2.96Å |
| 215 | P | 77.1 | Confident | 88 | Confident | 126 Ų | 126 | 59 Ų | 59 | 82% | 0.818 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26.2 | -179.4 | -28.8 | 36.2 | 0 | 0 | 0 | 114.5 | ||
| 216 | S | 80.4 | Confident | 86.6 | Confident | 96 Ų | 96 | 66.9 Ų | 66.9 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -19.2 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 115.1 | T214 | T214-S216 PolarHBondContact O-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.42Å |
| 217 | H | 82.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 65 Ų | 65 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 105.4 | -174.4 | -66.8 | 73.3 | 0 | 0 | 0 | 112.2 | P160 K212 I213 T214 | P160-H217 HydrophobicContact CG-CB 3.74Å; K212-H217 WeakPolarHBondContact CA-O 3.42Å; I213-H217 PolarHBondContact N-O 3.42Å; T214-H217 PolarHBondContact O-N 3.13Å; T214-H217 WeakPolarHBondContact OG1-CB 3.41Å; T214-H217 PolarHBondContact OG1-N 3.37Å; T214-H217 PolarHBondContact OG1-ND1 2.96Å |
| 218 | A | 86.8 | Confident | 86.3 | Confident | 31 Ų | 31 | 65 Ų | 65 | 26% | 0.256 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N158 G210 F211 K212 | N158-A218 PolarHBondContact ND2-O 3.38Å; G210-A218 WeakPolarHBondContact O-CB 3.12Å; F211-A218 WeakPolarHBondContact O-CA 3.41Å; K212-A218 HydrophobicContact CG-CB 4.07Å |
| 219 | M | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -69.9 | 145.1 | 176.8 | 69.9 | 172.6 | 165.2 | 0 | 0 | 110.6 | L156 L159 L171 F172 L208 G210 F211 I213 I221 | L156-M219 HydrophobicContact CD2-SD 4.31Å; L159-M219 HydrophobicContact CD2-CB 3.83Å; L159-M219 HydrophobicContact CD2-SD 4.41Å; L171-M219 HydrophobicContact CD2-CE 3.41Å; L171-M219 VanDerWaalsContact CD2-CE 3.41Å; L171-M219 HydrophobicContact CD2-SD 4.37Å; F172-M219 HydrophobicContact CE2-CE 4.32Å; F172-M219 HydrophobicContact CE2-SD 4.39Å; F172-M219 HydrophobicContact CZ-CE 4.34Å; F172-M219 HydrophobicContact CZ-SD 4.48Å; L208-M219 HydrophobicContact CB-CE 3.72Å; L208-M219 HydrophobicContact CD1-CE 4.16Å; L208-M219 HydrophobicContact CD2-CE 4.33Å; L208-M219 HydrophobicContact CG-CE 4.31Å; G210-M219 WeakPolarHBondContact CA-O 3.48Å; G210-M219 PolarHBondContact N-O 2.94Å; F211-M219 HydrophobicContact CB-CE 3.59Å; F211-M219 HydrophobicContact CB-CG 4.37Å; F211-M219 HydrophobicContact CD1-CE 3.83Å; F211-M219 HydrophobicContact CG-CE 4.02Å; F211-M219 WeakPolarHBondContact O-CG 3.45Å; F211-M219 PolarHBondContact O-N 3.47Å; I213-M219 HydrophobicContact CD1-CB 4.11Å; I213-M219 HydrophobicContact CD1-CG 4.41Å; I213-M219 HydrophobicContact CD1-SD 3.99Å; I213-M219 HydrophobicContact CG1-CB 4.45Å; I213-M219 HydrophobicContact CG1-CG 4.49Å; I213-M219 HydrophobicContact CG1-SD 4.35Å; M219-I221 HydrophobicContact CE-CD1 4.1Å; M219-I221 HydrophobicContact CG-CG1 4.45Å; M219-I221 HydrophobicContact SD-CD1 4.3Å; M219-I221 HydrophobicContact SD-CG1 4.47Å | ||
| 220 | K | 92.5 | Very high | 85.6 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 32% | 0.317 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.5 | 176.7 | -79.3 | 179.6 | -175.6 | -174.1 | 0 | 108.1 | Q143 L156 N157 | Q143-K220 PolarHBondContact O-NZ 3.08Å; L156-K220 WeakPolarHBondContact CA-O 3.44Å; N157-K220 PolarHBondContact N-O 3.49Å; N157-K220 PolarHBondContact O-N 2.96Å; N157-K220 WeakPolarHBondContact OD1-CB 3.35Å; N157-K220 PolarHBondContact OD1-O 3.07Å; N157-K220 VanDerWaalsContact OD1-O 3.11Å |
| 221 | I | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.3 | -174.4 | -49 | 178.9 | 0 | 0 | 0 | 108.6 | L154 F155 L156 F172 R205 L208 Q209 M219 | L154-I221 HydrophobicContact CB-CG2 3.94Å; L154-I221 HydrophobicContact CD1-CG2 3.95Å; L154-I221 HydrophobicContact CD2-CG2 4.2Å; L154-I221 HydrophobicContact CG-CG2 4.25Å; F155-I221 WeakPolarHBondContact O-CA 3.45Å; L156-I221 HydrophobicContact CG-CG1 4.49Å; F172-I221 HydrophobicContact CE1-CD1 4.36Å; F172-I221 HydrophobicContact CZ-CD1 3.93Å; R205-I221 HydrophobicContact CB-CG2 3.99Å; R205-I221 HydrophobicContact CG-CB 4.21Å; R205-I221 HydrophobicContact CG-CG2 3.9Å; L208-I221 HydrophobicContact CB-CD1 3.5Å; L208-I221 VanDerWaalsContact CB-CD1 3.5Å; L208-I221 WeakPolarHBondContact O-CD1 3.43Å; Q209-I221 PolarHBondContact OE1-O 3.38Å; M219-I221 HydrophobicContact CE-CD1 4.1Å; M219-I221 HydrophobicContact CG-CG1 4.45Å; M219-I221 HydrophobicContact SD-CD1 4.3Å; M219-I221 HydrophobicContact SD-CG1 4.47Å |
| 222 | T | 92.7 | Very high | 85.1 | Confident | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 164.5 | 169.7 | 62 | 0 | 0 | 0 | 0 | 109.7 | V145 L154 F155 | V145-T222 HydrophobicContact CB-CG2 4.18Å; V145-T222 HydrophobicContact CG2-CG2 4.18Å; L154-T222 CarbonylContact C-O 3.55Å; L154-T222 WeakPolarHBondContact CA-O 3.48Å; F155-T222 PolarHBondContact N-O 3.16Å; F155-T222 PolarHBondContact O-N 3.3Å |
| 223 | Y | 93.2 | Very high | 85 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 141.1 | 166.8 | -67.3 | -68.8 | 0 | 0 | 0 | 109.8 | N148 P149 P150 N151 L154 A201 G202 | N148-Y223 WeakPolarHBondContact CB-O 3.39Å; N148-Y223 PolarHBondContact ND2-O 3.29Å; N148-Y223 VanDerWaalsContact O-CD2 3.29Å; N148-Y223 WeakPolarHBondContact O-CD2 3.46Å; P149-Y223 WeakPolarHBondContact O-CB 3.29Å; P150-Y223 HydrophobicContact CB-CE1 4.47Å; P150-Y223 HydrophobicContact CB-CE2 4.4Å; P150-Y223 HydrophobicContact CG-CE2 4.38Å; N151-Y223 HydrophobicContact CB-CD1 4.1Å; N151-Y223 HydrophobicContact CB-CG 4.43Å; N151-Y223 WeakPolarHBondContact O-CD1 3.24Å; N151-Y223 VanDerWaalsContact O-CE1 3.31Å; N151-Y223 WeakPolarHBondContact O-CE1 3.44Å; L154-Y223 HydrophobicContact CD2-CD1 3.82Å; L154-Y223 HydrophobicContact CD2-CE1 4.02Å; A201-Y223 HydrophobicContact CB-CE1 4.41Å; G202-Y223 WeakPolarHBondContact CA-OH 3.3Å |
| 224 | A | 89.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N151 I153 F155 F192 K226 | N151-A224 PolarHBondContact ND2-O 3.32Å; I153-A224 HydrophobicContact CB-CB 3.85Å; I153-A224 HydrophobicContact CG2-CB 3.67Å; I153-A224 WeakPolarHBondContact O-CB 3.34Å; I153-A224 PolarHBondContact O-N 3.11Å; F155-A224 HydrophobicContact CB-CB 4.45Å; F192-A224 HydrophobicContact CD1-CB 4.26Å; F192-A224 HydrophobicContact CE1-CB 4.22Å; A224-K226 PolarHBondContact O-N 2.99Å |
| 225 | K | 85.9 | Confident | 85.8 | Confident | 164 Ų | 164 | 66.5 Ų | 66.5 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 136.7 | 172.7 | -65.3 | -175.3 | 178.7 | -175 | 0 | 109.3 | N148 | N148-K225 WeakPolarHBondContact ND2-CG 3.29Š|
| 226 | K | 63.9 | Low | 86.5 | Confident | 207 Ų | 207 | 61.1 Ų | 61.1 | 90% | 0.9 | 30% | 0.304 | S | S | * | . | trans | -66.6 | 0 | 171.8 | -76.3 | -176.3 | 179.1 | 174.8 | 0 | 111.2 | A224 | A224-K226 PolarHBondContact O-N 2.99Š|
Retrieved 226 of 226 residues in 102.1 ms
(Link to these results)