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GTP-binding nuclear protein Ran

GTPase involved in nucleocytoplasmic transport, participating both to the import and the export from the nucleus of proteins and RNAs. Switches between a cytoplasmic GDP- and a nuclear GTP-bound state by nucleotide exchange and GTP hydrolysis. Nuclear import receptors such as importin beta bind their substrates only in the absence of GTP-bound RAN and release them upon direct interaction with GTP-bound RAN, while export receptors behave in the opposite way. Thereby, RAN controls cargo loading and release by transport receptors in the proper compartment and ensures the directionality of the transport. Interaction with RANBP1 induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. RAN (GTP-bound form) triggers microtubule assembly at mitotic chromosomes and is required for normal mitotic spindle assembly and chromosome segregation. Required for normal progress through mitosis (By similarity). GTP-bound Ran modulates both spindle and nuclear envelope assembly, supporting a role during mitosis1. During oogenesis, modulates formation of Nup358-containing granules and biogenesis of the nuclear pore complex probably by mediating the transport of their components along microtubules2.

AlphaFold DB , UniProt , Accession Q9VZ23, Species DROME (Drosophila melanogaster, Fruit fly), Gene Ran, Length 216 aa.

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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
1M36.9Very low67Low244 Ų244119.7 Ų119.7100%1.20267%0.667SS**  01000-65.7-179.517900106.8Q3M1-Q3 PolarHBondContact O-N 3.3Å
2A39.7Very low69.6Low95 Ų95111.8 Ų111.879%0.78562%0.62SS**  trans-66127.9169.500000106.8E4A2-E4 PolarHBondContact O-N 3.44Å
3Q41.4Very low71.8Confident176 Ų176103.2 Ų103.282%0.82257%0.573SS**  trans-62.799.9174.3-80.6176.8-13.500108.6M1M1-Q3 PolarHBondContact O-N 3.3Å
4E38.4Very low73.6Confident195 Ų19595.8 Ų95.891%0.91153%0.532SS*.  trans-68.4124.1158.7-71.1177.615400107.9A2A2-E4 PolarHBondContact O-N 3.44Å
5G51Low75.2Confident80 Ų8089.5 Ų89.583%0.82550%0.497SS*.  trans111.817.4153.500000120.4
6Q58.4Low76.6Confident160 Ų16083.9 Ų83.975%0.74847%0.466SS*.  trans-98.9121.7164.8-91.4-177.2-6.300111.4I8Q6-I8 PolarHBondContact O-N 2.89Å; Q6-I8 VanDerWaalsContact O-N 3.11Å
7D85.7Confident77.8Confident165 Ų16579 Ų7988%0.88244%0.439SS*.  trans-60.1111.6171.7-77.3-34.4000109.8P9D7-P9 WeakPolarHBondContact O-CD 3.4Å
8I93.7Very high78.8Confident51 Ų5175.6 Ų75.626%0.26242%0.42SS..  trans-70.2121.3176.8-62.8172.5000108.3Q6 T10 I51 A58 R60Q6-I8 PolarHBondContact O-N 2.89Å; Q6-I8 VanDerWaalsContact O-N 3.11Å; I8-T10 PolarHBondContact O-N 2.82Å; I8-T10 PolarHBondContact O-OG1 2.84Å; I8-I51 HydrophobicContact CD1-CD1 4.38Å; I8-A58 HydrophobicContact CD1-CB 4.37Å; I8-A58 HydrophobicContact CG1-CB 4.41Å; I8-A58 HydrophobicContact CG2-CB 4.12Å; I8-R60 HydrophobicContact CG2-CB 3.9Å
9P96Very high79.6Confident73 Ų7372.8 Ų72.847%0.47441%0.41SS..  trans-50.2118.2173.4-27.835.4000110.7D7 F11 R60D7-P9 WeakPolarHBondContact O-CD 3.4Å; P9-F11 HydrophobicContact CB-CE2 4.2Å; P9-F11 HydrophobicContact CB-CZ 4.46Å; P9-R60 PolarHBondContact O-N 2.85Å
10T97.6Very high80.4Confident49 Ų4970.4 Ų70.430%0.30140%0.402SS..EExtended strand (participates in β ladder)trans-118.4127.2-171.4-62.50000110I8 R60 N62I8-T10 PolarHBondContact O-N 2.82Å; I8-T10 PolarHBondContact O-OG1 2.84Å; T10-R60 CarbonylContact C-O 3.53Å; T10-R60 VanDerWaalsContact CA-O 3.32Å; T10-R60 WeakPolarHBondContact CA-O 3.34Å; T10-R60 HydrophobicContact CG2-CB 4.26Å; T10-R60 HydrophobicContact CG2-CG 4.21Å; T10-R60 PolarHBondContact OG1-NH1 3.45Å; T10-N62 WeakPolarHBondContact CG2-ND2 3.34Å
11F98.2Very high81.2Confident29 Ų2967 Ų6713%0.12738%0.383CS..EExtended strand (participates in β ladder)trans-118.3133.7-179.2-58-80.1000111.3P9 C13 I59 R60 F61 N62 Q84 L168P9-F11 HydrophobicContact CB-CE2 4.2Å; P9-F11 HydrophobicContact CB-CZ 4.46Å; F11-C13 PolarHBondContact O-N 3.2Å; F11-I59 HydrophobicContact CD2-CG2 3.65Å; F11-I59 HydrophobicContact CE2-CG2 3.64Å; F11-R60 PolarHBondContact N-O 3.06Å; F11-F61 HydrophobicContact CB-CD1 4.02Å; F11-F61 HydrophobicContact CB-CE1 4.2Å; F11-F61 CarbonylContact O-C 3.59Å; F11-F61 WeakPolarHBondContact O-CA 3.3Å; F11-N62 PolarHBondContact O-N 2.75Å; F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.48Å; F11-L168 HydrophobicContact CB-CD1 4.01Å; F11-L168 HydrophobicContact CD1-CB 4.21Å; F11-L168 HydrophobicContact CD1-CD1 3.93Å; F11-L168 HydrophobicContact CD1-CD2 4.04Å; F11-L168 HydrophobicContact CD1-CG 4.3Å; F11-L168 HydrophobicContact CD2-CD1 4.12Å; F11-L168 HydrophobicContact CE1-CB 3.9Å; F11-L168 HydrophobicContact CE1-CD1 4.44Å; F11-L168 HydrophobicContact CE1-CD2 4.31Å; F11-L168 HydrophobicContact CE1-CG 4.45Å; F11-L168 HydrophobicContact CE2-CB 4.38Å; F11-L168 HydrophobicContact CG-CD1 3.75Å; F11-L168 HydrophobicContact CZ-CB 3.99Å
12K98.2Very high84Confident24 Ų2456.1 Ų56.110%0.10433%0.332CS..EExtended strand (participates in β ladder)trans-74.9114.7168.7180169.5170.6172.80109.6W64 Y79 I81 Q84 C85K12-W64 HydrophobicContact CD-CD2 4.38Å; K12-W64 HydrophobicContact CD-CZ2 4.26Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; K12-W64 HydrophobicContact CG-CG 4.42Å; K12-Y79 WeakPolarHBondContact CE-O 3.39Å; K12-Y79 PolarHBondContact NZ-O 3.03Å; K12-I81 WeakPolarHBondContact CE-O 3.4Å; K12-I81 PolarHBondContact NZ-O 2.98Å; K12-Q84 PolarHBondContact O-N 3.23Å; K12-C85 PolarHBondContact O-N 3.39Å
13C98.4Very high86.7Confident0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-107.3118.4175-177.90000109.9F11 F61 N62 V63 W64 C85F11-C13 PolarHBondContact O-N 3.2Å; C13-F61 HydrophobicContact CB-CB 4.28Å; C13-F61 HydrophobicContact CB-CD1 3.96Å; C13-N62 PolarHBondContact N-O 3.38Å; C13-V63 HydrophobicContact CB-CG2 4.22Å; C13-V63 CarbonylContact O-C 3.56Å; C13-V63 WeakPolarHBondContact O-CA 3.42Å; C13-W64 PolarHBondContact O-N 2.88Å; C13-C85 WeakPolarHBondContact CA-O 3.37Å; C13-C85 VanDerWaalsContact CB-SG 3.54Å
14V97.4Very high89.2Confident0 Ų044.7 Ų44.70%026%0.264CS..EExtended strand (participates in β ladder)trans-89.5122.3178.1175.50000109.3V16 Y80 C85 A86 V87 L108V14-V16 HydrophobicContact CG1-CG1 3.63Å; V14-Y80 HydrophobicContact CG1-CD1 3.58Å; V14-Y80 HydrophobicContact CG1-CE1 3.76Å; V14-C85 PolarHBondContact N-O 2.93Å; V14-A86 HydrophobicContact CB-CB 4.2Å; V14-A86 CarbonylContact O-C 3.51Å; V14-A86 WeakPolarHBondContact O-CA 3.42Å; V14-A86 VanDerWaalsContact O-CB 3.3Å; V14-A86 WeakPolarHBondContact O-CB 3.27Å; V14-V87 PolarHBondContact O-N 3.36Å; V14-L108 HydrophobicContact CB-CD1 4.25Å; V14-L108 HydrophobicContact CG1-CD1 3.96Å
15L97.7Very high91.9Very high1 Ų136.5 Ų36.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.7112.5177.4176.262.3000110.2K23 F26 V27 V63 W64 T66 V87 M89L15-K23 HydrophobicContact CD1-CB 4.38Å; L15-K23 HydrophobicContact CD1-CD 4.34Å; L15-K23 HydrophobicContact CD1-CG 4.07Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.24Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.93Å; L15-F26 HydrophobicContact CD2-CD1 4.47Å; L15-V27 HydrophobicContact CD2-CG2 3.25Å; L15-V63 HydrophobicContact CB-CG1 3.89Å; L15-V63 HydrophobicContact CD2-CG1 4.22Å; L15-W64 PolarHBondContact N-O 3.34Å; L15-T66 PolarHBondContact O-N 3.29Å; L15-T66 PolarHBondContact O-OG1 3.2Å; L15-V87 WeakPolarHBondContact CA-O 3.44Å; L15-V87 HydrophobicContact CD1-CB 3.72Å; L15-V87 HydrophobicContact CD1-CG1 3.7Å; L15-M89 HydrophobicContact CD1-CB 4.47Å; L15-M89 HydrophobicContact CD1-CE 4.24Å
16V96.7Very high94Very high0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-129.1166.8-173-70.30000112.4V14 K23 T66 Y80 V87 I88 M89 W104V14-V16 HydrophobicContact CG1-CG1 3.63Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; V16-T66 HydrophobicContact CG1-CG2 4.32Å; V16-T66 WeakPolarHBondContact CG1-OG1 3.49Å; V16-Y80 HydrophobicContact CG1-CE1 3.48Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.48Å; V16-V87 PolarHBondContact N-O 2.8Å; V16-I88 HydrophobicContact CG2-CB 4.27Å; V16-I88 HydrophobicContact CG2-CG1 3.76Å; V16-I88 HydrophobicContact CG2-CG2 4.37Å; V16-I88 WeakPolarHBondContact O-CA 3.29Å; V16-M89 PolarHBondContact O-N 2.72Å; V16-W104 HydrophobicContact CB-CD2 4.35Å; V16-W104 HydrophobicContact CB-CE3 3.72Å; V16-W104 HydrophobicContact CB-CZ3 4.12Å; V16-W104 HydrophobicContact CG1-CE3 4.13Å; V16-W104 HydrophobicContact CG1-CZ3 4.24Å; V16-W104 HydrophobicContact CG2-CB 4.49Å
17G97.1Very high95.7Very high1 Ų125.1 Ų25.11%0.0115%0.153CC..  trans134.3167.5-177.500000111.3K23 G68 M89 W104G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 3.24Å; G17-G68 WeakPolarHBondContact O-CA 3.35Å; G17-M89 WeakPolarHBondContact CA-O 3.3Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.18Å
18D96.1Very high95.9Very high18 Ų1820.4 Ų20.410%0.09613%0.125CC..  trans-55.8160-175.3-77.517.1000113.6T21 K23 T97 N100 W104D18-T21 HydrophobicContact CB-CG2 3.83Å; D18-T21 VanDerWaalsContact O-CG2 3.32Å; D18-T21 WeakPolarHBondContact O-CG2 3.32Å; D18-T21 PolarHBondContact O-OG1 3.29Å; D18-K23 PolarHBondContact O-NZ 2.95Å; D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.47Å; D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.04Å; D18-W104 PolarHBondContact OD1-NE1 3.05Å
19G94.4Very high95.8Very high22 Ų2218.1 Ų18.123%0.22711%0.113CC..THydrogen-bonded Turntrans-56.9142.5168.900000111.9T21 G68G19-T21 PolarHBondContact O-N 2.99Å; G19-G68 PolarHBondContact N-O 3.38Å
20G94.3Very high95.5Very high25 Ų2515.4 Ų15.426%0.2589%0.094SC..THydrogen-bonded Turntrans74.91.8176.300000115.9G22 Y39 K123G20-G22 PolarHBondContact O-N 3.45Å; G20-Y39 PolarHBondContact N-OH 2.96Å; G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.9Å
21T97Very high94.9Very high0 Ų017 Ų170%010%0.098CC..SBendtrans-69-18.6176.357.40000113.5D18 G19 D91 T97 N122D18-T21 HydrophobicContact CB-CG2 3.83Å; D18-T21 VanDerWaalsContact O-CG2 3.32Å; D18-T21 WeakPolarHBondContact O-CG2 3.32Å; D18-T21 PolarHBondContact O-OG1 3.29Å; G19-T21 PolarHBondContact O-N 2.99Å; T21-D91 HydrophobicContact CG2-CB 4.33Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; T21-N122 PolarHBondContact O-ND2 2.93Å
22G95.9Very high94.3Very high14 Ų1419.1 Ų19.114%0.14411%0.114CC..SBendtrans104.416.8175.900000115.3G20 T25 F26G20-G22 PolarHBondContact O-N 3.45Å; G22-T25 PolarHBondContact O-N 2.66Å; G22-F26 WeakPolarHBondContact O-CB 3.37Å; G22-F26 PolarHBondContact O-N 2.93Å
23K96.5Very high93.5Very high10 Ų1018 Ų184%0.04311%0.11CC..Hα-helixtrans-50.9-57.7178.4-63.1-174.6-52.2-72.60113.2L15 V16 G17 D18 T25 F26 V27 D65 T66 M89L15-K23 HydrophobicContact CD1-CB 4.38Å; L15-K23 HydrophobicContact CD1-CD 4.34Å; L15-K23 HydrophobicContact CD1-CG 4.07Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.24Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.93Å; V16-K23 VanDerWaalsContact C-CD 3.45Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; G17-K23 WeakPolarHBondContact O-CE 3.41Å; G17-K23 PolarHBondContact O-NZ 3.24Å; D18-K23 PolarHBondContact O-NZ 2.95Å; K23-T25 VanDerWaalsContact C-N 3.34Å; K23-T25 PolarHBondContact O-N 3.02Å; K23-F26 WeakPolarHBondContact O-CB 3.09Å; K23-F26 PolarHBondContact O-N 3.35Å; K23-F26 VanDerWaalsContact O-N 3.09Å; K23-V27 PolarHBondContact O-N 2.97Å; K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.3Å; K23-T66 WeakPolarHBondContact CE-O 3.3Å; K23-M89 HydrophobicContact CG-CB 4.05Å; K23-M89 HydrophobicContact CG-SD 4.11Å
24T94.7Very high92.7Very high21 Ų2123.8 Ų23.813%0.12914%0.137CC..Hα-helixtrans-59.8-43179-45.50000112.2F26 V27 K28 T42 D65T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.11Å; T24-V27 PolarHBondContact O-N 3.08Å; T24-K28 HydrophobicContact CG2-CD 4.08Å; T24-K28 HydrophobicContact CG2-CG 4.32Å; T24-K28 WeakPolarHBondContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.38Å; T24-K28 PolarHBondContact O-N 2.97Å; T24-T42 PolarHBondContact OG1-OG1 3.02Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.44Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D65 PolarHBondContact OG1-OD2 3Å
25T94.4Very high91.9Very high24 Ų2426 Ų2615%0.14715%0.146CC..Hα-helixtrans-60.7-42.7175.6-51.90000111.2G22 K23 R29 F35 E36 A151G22-T25 PolarHBondContact O-N 2.66Å; K23-T25 VanDerWaalsContact C-N 3.34Å; K23-T25 PolarHBondContact O-N 3.02Å; T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.09Å; T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.41Å; T25-F35 VanDerWaalsContact CG2-CE2 3.41Å; T25-F35 HydrophobicContact CG2-CG 4.32Å; T25-F35 HydrophobicContact CG2-CZ 4.19Å; T25-E36 HydrophobicContact CG2-CB 4.38Å; T25-A151 HydrophobicContact CG2-CB 4.14Å
26F95.2Very high91.2Very high1 Ų129.1 Ų29.10%0.00416%0.161CC..Hα-helixtrans-63.3-40.3177.5174.6-98.3000112.6L15 G22 K23 T24 H30 M89 I149 A151 F157 P160 F161L15-F26 HydrophobicContact CD2-CD1 4.47Å; G22-F26 WeakPolarHBondContact O-CB 3.37Å; G22-F26 PolarHBondContact O-N 2.93Å; K23-F26 WeakPolarHBondContact O-CB 3.09Å; K23-F26 PolarHBondContact O-N 3.35Å; K23-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.11Å; F26-H30 AromaticContact CE1-CE1 3.97Å; F26-H30 AromaticContact CE2-CE1 3.51Å; F26-H30 AromaticContact CZ-CE1 3.44Å; F26-H30 VanDerWaalsContact CZ-CE1 3.44Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.32Å; F26-H30 PolarHBondContact O-N 3.47Å; F26-H30 PolarHBondContact O-ND1 3.45Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.91Å; F26-M89 HydrophobicContact CD2-CE 4.18Å; F26-M89 HydrophobicContact CG-CE 3.69Å; F26-I149 HydrophobicContact CD2-CD1 3.68Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; F26-A151 HydrophobicContact CB-CB 4.36Å; F26-F157 HydrophobicContact CB-CE2 4.49Å; F26-F157 AromaticContact CD2-CD2 3.64Å; F26-F157 HydrophobicContact CD2-CD2 3.64Å; F26-F157 AromaticContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.67Å; F26-F157 HydrophobicContact CE2-CD2 3.67Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.42Å; F26-F157 HydrophobicContact CG-CE2 4.09Å; F26-F157 WeakPolarHBondContact O-CZ 3.1Å; F26-P160 HydrophobicContact CZ-CG 4.32Å; F26-F161 HydrophobicContact CE1-CD2 4.41Å; F26-F161 AromaticContact CE1-CE2 3.41Å; F26-F161 HydrophobicContact CE1-CE2 3.41Å; F26-F161 VanDerWaalsContact CE1-CE2 3.41Å; F26-F161 AromaticContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CZ-CD2 4.13Å; F26-F161 AromaticContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CZ 4.36Å
27V93.8Very high90.6Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-71.8-52.2177.3178.80000111.5L15 K23 T24 R29 H30 M31 H48 V63 D65L15-V27 HydrophobicContact CD2-CG2 3.25Å; K23-V27 PolarHBondContact O-N 2.97Å; T24-V27 PolarHBondContact O-N 3.08Å; V27-R29 PolarHBondContact O-N 3.38Å; V27-H30 WeakPolarHBondContact O-CA 3.5Å; V27-H30 WeakPolarHBondContact O-CB 3.33Å; V27-H30 PolarHBondContact O-N 2.96Å; V27-M31 HydrophobicContact CG1-CG 4.48Å; V27-M31 HydrophobicContact CG1-SD 4.17Å; V27-M31 WeakPolarHBondContact O-CG 3.36Å; V27-M31 PolarHBondContact O-N 3.05Å; V27-M31 VanDerWaalsContact O-N 3.09Å; V27-H48 HydrophobicContact CG1-CB 3.39Å; V27-V63 HydrophobicContact CG1-CB 4.48Å; V27-V63 HydrophobicContact CG2-CB 4.47Å; V27-V63 HydrophobicContact CG2-CG1 3.69Å; V27-D65 HydrophobicContact CG2-CB 4.45Å
28K91Very high90.1Very high65 Ų6544.1 Ų44.128%0.28323%0.226SC..Hα-helixtrans-55.4-41178.6-76.4-176.9169.4-1780111.7T24 H30 M31 T32 E36T24-K28 HydrophobicContact CG2-CD 4.08Å; T24-K28 HydrophobicContact CG2-CG 4.32Å; T24-K28 WeakPolarHBondContact O-CB 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.38Å; T24-K28 PolarHBondContact O-N 2.97Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 2.74Å; K28-M31 WeakPolarHBondContact O-CB 3.45Å; K28-M31 PolarHBondContact O-N 3.31Å; K28-T32 PolarHBondContact O-N 3.22Å; K28-T32 PolarHBondContact O-OG1 3.33Å; K28-E36 HydrophobicContact CD-CB 4.33Å; K28-E36 IonicContact NZ-OE2 2.84Å; K28-E36 PolarHBondContact NZ-OE2 3.48Å
29R90.4Very high89.6Confident4 Ų449.6 Ų49.62%0.01525%0.246CC..Hα-helixtrans-63.7-32.5178.3-175.576171.8-175.9-4112.4T25 V27 G33 E34 F35 N154 F157 L182 L183 P184 P185T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.09Å; V27-R29 PolarHBondContact O-N 3.38Å; R29-G33 VanDerWaalsContact CD-O 3.25Å; R29-G33 WeakPolarHBondContact CD-O 3.2Å; R29-G33 PolarHBondContact NE-O 2.78Å; R29-G33 PolarHBondContact NH1-O 3.39Å; R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.12Å; R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 VanDerWaalsContact CD-C 3.49Å; R29-E34 WeakPolarHBondContact CD-O 3.32Å; R29-F35 VanDerWaalsContact NH1-N 3.15Å; R29-N154 PolarHBondContact NE-OD1 2.89Å; R29-N154 PolarHBondContact NH2-ND2 2.61Å; R29-N154 PolarHBondContact NH2-OD1 3.16Å; R29-N154 VanDerWaalsContact NH2-OD1 3.16Å; R29-F157 HydrophobicContact CB-CE1 4.28Å; R29-F157 HydrophobicContact CB-CE2 4.08Å; R29-F157 HydrophobicContact CB-CZ 3.45Å; R29-F157 VanDerWaalsContact CB-CZ 3.45Å; R29-F157 HydrophobicContact CG-CE1 3.92Å; R29-F157 HydrophobicContact CG-CE2 3.95Å; R29-F157 HydrophobicContact CG-CZ 3.4Å; R29-L182 WeakPolarHBondContact O-CD2 3.21Å; R29-L183 PolarHBondContact NH2-O 3.2Å; R29-P184 PolarHBondContact NH2-O 3.28Å; R29-P185 VanDerWaalsContact NH2-CA 3.33Å
30H89.7Confident89.3Confident15 Ų1553.2 Ų53.27%0.06926%0.263CS..Hα-helixtrans-71.8-31.5170.1-80.492.8000113.2F26 V27 K28 L50 F52 F157 F161F26-H30 AromaticContact CE1-CE1 3.97Å; F26-H30 AromaticContact CE2-CE1 3.51Å; F26-H30 AromaticContact CZ-CE1 3.44Å; F26-H30 VanDerWaalsContact CZ-CE1 3.44Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.32Å; F26-H30 PolarHBondContact O-N 3.47Å; F26-H30 PolarHBondContact O-ND1 3.45Å; V27-H30 WeakPolarHBondContact O-CA 3.5Å; V27-H30 WeakPolarHBondContact O-CB 3.33Å; V27-H30 PolarHBondContact O-N 2.96Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 2.74Å; H30-L50 HydrophobicContact CB-CD1 3.7Å; H30-L50 HydrophobicContact CB-CD2 3.88Å; H30-L50 HydrophobicContact CB-CG 4.41Å; H30-F52 AromaticContact CD2-CE1 3.79Å; H30-F52 AromaticContact CD2-CZ 3.62Å; H30-F157 HydrophobicContact CB-CE1 4.18Å; H30-F157 HydrophobicContact CB-CZ 4.38Å; H30-F157 AromaticContact CD2-CD1 3.88Å; H30-F157 AromaticContact CD2-CE1 3.48Å; H30-F157 VanDerWaalsContact CD2-CE1 3.48Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.39Å; H30-F157 AromaticContact CE1-CD1 3.27Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.37Å; H30-F157 AromaticContact CE1-CD2 3.81Å; H30-F157 AromaticContact CE1-CE1 3.01Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F157 AromaticContact CE1-CE2 3.57Å; H30-F157 AromaticContact CE1-CG 3.65Å; H30-F157 AromaticContact CE1-CZ 3.15Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3.37Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.64Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.08Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.34Å; H30-F157 AromaticContact ND1-CE2 3.69Å; H30-F157 AromaticContact ND1-CZ 2.96Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.31Å; H30-F157 VanDerWaalsContact NE2-CD1 3.31Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F157 AromaticContact NE2-CE1 3.3Å; H30-F157 VanDerWaalsContact NE2-CE1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.47Å; H30-F157 AromaticContact NE2-CG 3.97Å; H30-F157 AromaticContact NE2-CZ 3.93Å; H30-F157 PolarHBondContact NE2-O 2.88Å; H30-F161 AromaticContact CE1-CD2 3.76Å; H30-F161 AromaticContact CE1-CE2 3.43Å; H30-F161 VanDerWaalsContact CE1-CE2 3.43Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.03Å; H30-F161 AromaticContact ND1-CE2 3.7Å; H30-F161 AromaticContact NE2-CD2 3.51Å; H30-F161 AromaticContact NE2-CE2 3.6Å
31M86.9Confident89Confident82 Ų8253.6 Ų53.640%0.40427%0.265SS..Hα-helixtrans-78.9-52.6-177.5-66.6178.37800113.4V27 K28 H48 L50V27-M31 HydrophobicContact CG1-CG 4.48Å; V27-M31 HydrophobicContact CG1-SD 4.17Å; V27-M31 WeakPolarHBondContact O-CG 3.36Å; V27-M31 PolarHBondContact O-N 3.05Å; V27-M31 VanDerWaalsContact O-N 3.09Å; K28-M31 WeakPolarHBondContact O-CB 3.45Å; K28-M31 PolarHBondContact O-N 3.31Å; M31-H48 HydrophobicContact CE-CB 4.13Å; M31-H48 WeakPolarHBondContact CE-ND1 3.48Å; M31-H48 HydrophobicContact CG-CB 4.49Å; M31-H48 HydrophobicContact SD-CB 3.53Å; M31-H48 VanDerWaalsContact SD-CB 3.53Å; M31-H48 PolarHBondContact SD-ND1 2.81Å; M31-L50 HydrophobicContact CB-CD2 4.32Å; M31-L50 HydrophobicContact CG-CD2 3.23Å; M31-L50 HydrophobicContact SD-CD2 4.44Å
32T84.1Confident88.4Confident75 Ų7554.2 Ų54.246%0.4627%0.268SS..Hα-helixtrans-111.3-9.7-169650000112.3K28 E34K28-T32 PolarHBondContact O-N 3.22Å; K28-T32 PolarHBondContact O-OG1 3.33Å; T32-E34 PolarHBondContact O-N 3.14Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 3.06Å; T32-E34 VanDerWaalsContact OG1-N 3.16Å
33G82.2Confident87.9Confident1 Ų159.7 Ų59.71%0.0129%0.294CS..SBendtrans72.7-4.7-16900000113.4R29 L183R29-G33 VanDerWaalsContact CD-O 3.25Å; R29-G33 WeakPolarHBondContact CD-O 3.2Å; R29-G33 PolarHBondContact NE-O 2.78Å; R29-G33 PolarHBondContact NH1-O 3.39Å; R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 PolarHBondContact O-N 3.32Å; R29-G33 VanDerWaalsContact O-N 3.12Å; G33-L183 VanDerWaalsContact O-CB 3.23Å; G33-L183 WeakPolarHBondContact O-CB 3.44Å; G33-L183 PolarHBondContact O-N 2.94Å
34E80.8Confident87.4Confident121 Ų12159.7 Ų59.757%0.56530%0.296SS*.  trans-84146-176.9-64.2179.7176.500112.6R29 T32 L183R29-E34 WeakPolarHBondContact CA-O 3.48Å; R29-E34 VanDerWaalsContact CD-C 3.49Å; R29-E34 WeakPolarHBondContact CD-O 3.32Å; T32-E34 PolarHBondContact O-N 3.14Å; T32-E34 WeakPolarHBondContact OG1-CB 3.47Å; T32-E34 PolarHBondContact OG1-N 3.06Å; T32-E34 VanDerWaalsContact OG1-N 3.16Å; E34-L183 HydrophobicContact CB-CD1 4.48Å; E34-L183 HydrophobicContact CG-CD1 3.68Å
35F82.1Confident87.3Confident45 Ų4560.5 Ų60.520%0.19730%0.301CS..  trans-97.7117.6172.9-179.3-96.5000109.7T25 R29 K37 A151 K152 E186T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.41Å; T25-F35 VanDerWaalsContact CG2-CE2 3.41Å; T25-F35 HydrophobicContact CG2-CG 4.32Å; T25-F35 HydrophobicContact CG2-CZ 4.19Å; R29-F35 VanDerWaalsContact NH1-N 3.15Å; F35-K37 HydrophobicContact CD1-CG 3.85Å; F35-K37 HydrophobicContact CE1-CG 4.07Å; F35-K37 PolarHBondContact O-N 3.31Å; F35-A151 WeakPolarHBondContact CD2-O 3.28Å; F35-K152 HydrophobicContact CD2-CB 4.21Å; F35-K152 HydrophobicContact CD2-CG 4.33Å; F35-K152 HydrophobicContact CE1-CG 4.19Å; F35-K152 HydrophobicContact CE2-CB 3.57Å; F35-K152 HydrophobicContact CE2-CG 3.84Å; F35-K152 HydrophobicContact CZ-CB 3.88Å; F35-K152 HydrophobicContact CZ-CD 4.22Å; F35-K152 HydrophobicContact CZ-CG 3.76Å; F35-E186 HydrophobicContact CB-CG 3.79Å; F35-E186 HydrophobicContact CD1-CG 3.98Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E186 HydrophobicContact CG-CG 4.04Å
36E81.9Confident87.2Confident68 Ų6863.1 Ų63.132%0.31831%0.312SS..  trans-77.4104.6175.7-17767.4-105.800110.1T25 K28 K38T25-E36 HydrophobicContact CG2-CB 4.38Å; K28-E36 HydrophobicContact CD-CB 4.33Å; K28-E36 IonicContact NZ-OE2 2.84Å; K28-E36 PolarHBondContact NZ-OE2 3.48Å; E36-K38 WeakPolarHBondContact CG-O 3.48Å
37K83.5Confident87.2Confident162 Ų16266.4 Ų66.470%0.70433%0.332SS*.  trans-74.1-33.6178.2-65.9-177.3-176178.20112.9F35 E186F35-K37 HydrophobicContact CD1-CG 3.85Å; F35-K37 HydrophobicContact CE1-CG 4.07Å; F35-K37 PolarHBondContact O-N 3.31Å; K37-E186 WeakPolarHBondContact CE-OE1 3.34Å; K37-E186 WeakPolarHBondContact CE-OE2 3.32Å; K37-E186 IonicContact NZ-OE1 3.71Å
38K86.8Confident87.2Confident154 Ų15467.5 Ų67.567%0.6734%0.337SS*.SBendtrans-90.5122.9-174-174.1178.2177.9-178.50109.4E36 V40E36-K38 WeakPolarHBondContact CG-O 3.48Å; K38-V40 HydrophobicContact CD-CG2 4.36Å; K38-V40 HydrophobicContact CG-CG2 4.27Å; K38-V40 PolarHBondContact O-N 3.42Å
39Y86.2Confident87.4Confident133 Ų13367.9 Ų67.952%0.52235%0.346SS..  trans-72.2114.9170.5179.4-111.7000110.2G20 A41 Q69G20-Y39 PolarHBondContact N-OH 2.96Å; Y39-A41 HydrophobicContact CE1-CB 4.12Å; Y39-Q69 PolarHBondContact OH-NE2 3.02Å
40V87.4Confident87.6Confident97 Ų9768 Ų6859%0.58835%0.346SS*.  trans-118.7120165.1-177.40000106.3K38 T42K38-V40 HydrophobicContact CD-CG2 4.36Å; K38-V40 HydrophobicContact CG-CG2 4.27Å; K38-V40 PolarHBondContact O-N 3.42Å; V40-T42 PolarHBondContact O-N 3.45Å
41A88.2Confident87.8Confident34 Ų3470.9 Ų70.928%0.28136%0.361SS..  trans-67.3126.4-178.900000110.4Y39 L43 Q69Y39-A41 HydrophobicContact CE1-CB 4.12Å; A41-L43 PolarHBondContact O-N 3.39Å; A41-Q69 HydrophobicContact CB-CG 4.49Å
42T84Confident88.2Confident12 Ų1267.1 Ų67.17%0.07434%0.343CS..  trans-56.3135.4171.3-40.30000110.2T24 V40 E46 D65 A67T24-T42 PolarHBondContact OG1-OG1 3.02Å; V40-T42 PolarHBondContact O-N 3.45Å; T42-E46 HydrophobicContact CG2-CG 4.08Å; T42-D65 PolarHBondContact OG1-OD2 3.45Å; T42-A67 WeakPolarHBondContact O-CB 3.32Å
43L86.2Confident88.6Confident130 Ų13068.3 Ų68.368%0.68134%0.343SS*.  trans-101.5112.5174.7-60.6178.4000108.4A41 V45 F72A41-L43 PolarHBondContact O-N 3.39Å; L43-V45 PolarHBondContact O-N 3.02Å; L43-V45 VanDerWaalsContact O-N 3.1Å; L43-F72 HydrophobicContact CD2-CE2 4.01Å; L43-F72 HydrophobicContact CD2-CZ 3.56Å
44G86.7Confident89.3Confident9 Ų968.7 Ų68.79%0.09335%0.345CS..SBendtrans69.5-103.1-177.200000112.7A67 Y79G44-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 PolarHBondContact O-N 2.97Å; G44-Y79 WeakPolarHBondContact CA-OH 3.46Å
45V91Very high90Very high38 Ų3865.5 Ų65.523%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-144.9142.9-179.567.90000111.3L43 V47 W64 D65 T66 Y79L43-V45 PolarHBondContact O-N 3.02Å; L43-V45 VanDerWaalsContact O-N 3.1Å; V45-V47 HydrophobicContact CG2-CG2 4.45Å; V45-W64 HydrophobicContact CG1-CE3 4.42Å; V45-W64 HydrophobicContact CG2-CB 3.9Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.39Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.36Å; V45-D65 WeakPolarHBondContact CG2-O 3.4Å; V45-T66 HydrophobicContact CG2-CG2 4.32Å; V45-Y79 HydrophobicContact CB-CD1 3.83Å; V45-Y79 HydrophobicContact CB-CD2 4.38Å; V45-Y79 HydrophobicContact CB-CE1 3.75Å; V45-Y79 HydrophobicContact CB-CE2 4.3Å; V45-Y79 HydrophobicContact CB-CG 4.16Å; V45-Y79 HydrophobicContact CG1-CD1 3.56Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.39Å; V45-Y79 HydrophobicContact CG2-CD1 4.44Å
46E93Very high90.6Very high80 Ų8070.1 Ų70.137%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-116.7136.4163.5-65.9-179.5-172.600109.5T42 H48 D65T42-E46 HydrophobicContact CG2-CG 4.08Å; E46-H48 VanDerWaalsContact CB-NE2 3.27Å; E46-H48 WeakPolarHBondContact CB-NE2 3.36Å; E46-H48 IonicContact OE2-CE1 2.69Å; E46-H48 PolarHBondContact OE2-CE1 3.37Å; E46-H48 IonicContact OE2-NE2 2.72Å; E46-H48 PolarHBondContact OE2-NE2 3.4Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 3.43Å
47V95.1Very high91.2Very high70 Ų7068.7 Ų68.742%0.42435%0.352SS..EExtended strand (participates in β ladder)trans-108.1122.1-178.5-175.50000109.9V45 N62 V63 W64V45-V47 HydrophobicContact CG2-CG2 4.45Å; V47-N62 HydrophobicContact CG1-CB 4.29Å; V47-V63 WeakPolarHBondContact CA-O 3.42Å; V47-W64 HydrophobicContact CG2-CD2 3.82Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.23Å
48H95Very high91.8Very high23 Ų2362.2 Ų62.211%0.10633%0.328CS..EExtended strand (participates in β ladder)trans-124.1114.1-171.1-67-66.4000110.5V27 M31 E46 L50 V63V27-H48 HydrophobicContact CG1-CB 3.39Å; M31-H48 HydrophobicContact CE-CB 4.13Å; M31-H48 WeakPolarHBondContact CE-ND1 3.48Å; M31-H48 HydrophobicContact CG-CB 4.49Å; M31-H48 HydrophobicContact SD-CB 3.53Å; M31-H48 VanDerWaalsContact SD-CB 3.53Å; M31-H48 PolarHBondContact SD-ND1 2.81Å; E46-H48 VanDerWaalsContact CB-NE2 3.27Å; E46-H48 WeakPolarHBondContact CB-NE2 3.36Å; E46-H48 IonicContact OE2-CE1 2.69Å; E46-H48 PolarHBondContact OE2-CE1 3.37Å; E46-H48 IonicContact OE2-NE2 2.72Å; E46-H48 PolarHBondContact OE2-NE2 3.4Å; H48-L50 PolarHBondContact O-N 2.96Å; H48-V63 PolarHBondContact N-O 3.11Å; H48-V63 PolarHBondContact O-N 2.73Å
49P94.9Very high92.2Very high73 Ų7355.2 Ų55.247%0.47430%0.298SS..EExtended strand (participates in β ladder)trans-76.8114.9175.829.9-32.1000110.3R60P49-R60 HydrophobicContact CB-CG 4.42Å
50L94.5Very high92.7Very high6 Ų652.4 Ų52.43%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-106.3123.4173.3-55.8-172.7000109.7H30 M31 H48 F52 R60 F61 V63 F161H30-L50 HydrophobicContact CB-CD1 3.7Å; H30-L50 HydrophobicContact CB-CD2 3.88Å; H30-L50 HydrophobicContact CB-CG 4.41Å; M31-L50 HydrophobicContact CB-CD2 4.32Å; M31-L50 HydrophobicContact CG-CD2 3.23Å; M31-L50 HydrophobicContact SD-CD2 4.44Å; H48-L50 PolarHBondContact O-N 2.96Å; L50-F52 HydrophobicContact CB-CD2 4.44Å; L50-F52 HydrophobicContact CB-CE2 3.71Å; L50-F52 HydrophobicContact CB-CZ 4.36Å; L50-F52 HydrophobicContact CD1-CE2 4.34Å; L50-F52 HydrophobicContact CD1-CZ 4.4Å; L50-R60 CarbonylContact O-C 3.57Å; L50-R60 VanDerWaalsContact O-CA 3.27Å; L50-R60 WeakPolarHBondContact O-CA 3.45Å; L50-F61 PolarHBondContact N-O 3.39Å; L50-F61 PolarHBondContact O-N 2.96Å; L50-V63 HydrophobicContact CD1-CG2 3.58Å; L50-V63 HydrophobicContact CG-CG2 3.86Å; L50-F161 HydrophobicContact CD1-CE1 4.05Å; L50-F161 HydrophobicContact CD1-CE2 4.04Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å
51I93.7Very high93.2Very high75 Ų7547.8 Ų47.839%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-106126.5177.4-59.6176.4000109I8 A58 I59 R60I8-I51 HydrophobicContact CD1-CD1 4.38Å; I51-A58 HydrophobicContact CG2-CB 4.05Å; I51-I59 WeakPolarHBondContact CA-O 3.47Å; I51-R60 HydrophobicContact CG1-CB 4.34Å; I51-R60 HydrophobicContact CG1-CG 4.16Å
52F94Very high93.6Very high4 Ų448.6 Ų48.62%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-114.2130.7174.2-63.8-93.6000109.3H30 L50 A58 I59 F61 F161 F176 P180H30-F52 AromaticContact CD2-CE1 3.79Å; H30-F52 AromaticContact CD2-CZ 3.62Å; L50-F52 HydrophobicContact CB-CD2 4.44Å; L50-F52 HydrophobicContact CB-CE2 3.71Å; L50-F52 HydrophobicContact CB-CZ 4.36Å; L50-F52 HydrophobicContact CD1-CE2 4.34Å; L50-F52 HydrophobicContact CD1-CZ 4.4Å; F52-A58 WeakPolarHBondContact O-CA 3.32Å; F52-I59 PolarHBondContact N-O 2.89Å; F52-I59 PolarHBondContact O-N 2.84Å; F52-F61 AromaticContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CE2 4.08Å; F52-F61 AromaticContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CE2 4.32Å; F52-F161 HydrophobicContact CE1-CB 3.98Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.95Å; F52-F161 AromaticContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD2 4.16Å; F52-F161 HydrophobicContact CE2-CE1 4.29Å; F52-F161 AromaticContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CZ-CB 3.65Å; F52-F161 AromaticContact CZ-CD1 3.93Å; F52-F161 HydrophobicContact CZ-CD1 3.93Å; F52-F161 AromaticContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CD2 3.45Å; F52-F161 VanDerWaalsContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CE1 4.45Å; F52-F161 HydrophobicContact CZ-CE2 4.01Å; F52-F161 AromaticContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CZ 4.49Å; F52-F176 HydrophobicContact CB-CD1 4.05Å; F52-F176 HydrophobicContact CB-CE1 3.59Å; F52-F176 HydrophobicContact CB-CZ 3.88Å; F52-F176 HydrophobicContact CD1-CD2 4.07Å; F52-F176 HydrophobicContact CD1-CE1 4.07Å; F52-F176 AromaticContact CD1-CE2 3.5Å; F52-F176 HydrophobicContact CD1-CE2 3.5Å; F52-F176 AromaticContact CD1-CZ 3.5Å; F52-F176 HydrophobicContact CD1-CZ 3.5Å; F52-F176 VanDerWaalsContact CD1-CZ 3.5Å; F52-F176 AromaticContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CZ 4.17Å; F52-F176 AromaticContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE2 4.22Å; F52-F176 AromaticContact CG-CZ 3.73Å; F52-F176 HydrophobicContact CG-CZ 3.73Å; F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 4.08Å
53H94.1Very high94.3Very high100 Ų10048 Ų4846%0.46326%0.255SS..EExtended strand (participates in β ladder)trans-90121.3176.2-67.2-78.5000109.7F176 V177 A178H53-F176 CarbonylContact O-C 3.56Å; H53-F176 WeakPolarHBondContact O-CA 3.4Å; H53-V177 HydrophobicContact CB-CG2 3.97Å; H53-V177 WeakPolarHBondContact O-CG2 3.32Å; H53-V177 PolarHBondContact O-N 3.33Å; H53-A178 HydrophobicContact CB-CB 4.36Å
54T95.6Very high94.8Very high8 Ų844.9 Ų44.95%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-114.1167.8-177.583.60000111.7R56 G57 I59 L174 E175 F176T54-R56 PolarHBondContact O-N 2.88Å; T54-R56 VanDerWaalsContact O-N 3.08Å; T54-R56 PolarHBondContact OG1-N 3.05Å; T54-G57 WeakPolarHBondContact CA-O 3.41Å; T54-G57 WeakPolarHBondContact CB-O 3.35Å; T54-G57 WeakPolarHBondContact CG2-O 3.47Å; T54-G57 PolarHBondContact N-O 2.89Å; T54-G57 PolarHBondContact O-N 2.85Å; T54-G57 VanDerWaalsContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.11Å; T54-I59 HydrophobicContact CG2-CD1 3.9Å; T54-I59 HydrophobicContact CG2-CG1 4.13Å; T54-L174 HydrophobicContact CG2-CD1 4.29Å; T54-L174 HydrophobicContact CG2-CD2 3.85Å; T54-L174 HydrophobicContact CG2-CG 4.21Å; T54-E175 CarbonylContact C-O 3.47Å; T54-E175 WeakPolarHBondContact CA-O 3.18Å; T54-E175 WeakPolarHBondContact CB-O 3.16Å; T54-F176 HydrophobicContact CG2-CD1 3.98Å; T54-F176 HydrophobicContact CG2-CE1 4.12Å
55N95.9Very high95.2Very high55 Ų5544.5 Ų44.529%0.29423%0.229SC..THydrogen-bonded Turntrans-67.14168.565.5-16.7000114.2N173 L174 E175 V177N55-N173 PolarHBondContact ND2-O 3.48Å; N55-L174 WeakPolarHBondContact OD1-CA 3.45Å; N55-E175 PolarHBondContact N-O 3.44Å; N55-E175 PolarHBondContact OD1-N 2.83Å; N55-V177 HydrophobicContact CB-CG1 3.88Å
56R95.1Very high95.3Very high142 Ų14242.7 Ų42.754%0.53622%0.219SC..THydrogen-bonded Turntrans-121.29.6173-57.6-63.6179.3-99.2-8113.1T54 D171T54-R56 PolarHBondContact O-N 2.88Å; T54-R56 VanDerWaalsContact O-N 3.08Å; T54-R56 PolarHBondContact OG1-N 3.05Å; R56-D171 IonicContact CZ-OD2 3.33Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 2.68Å; R56-D171 PolarHBondContact NE-OD2 3.19Å; R56-D171 IonicContact NH2-OD2 2.83Å; R56-D171 PolarHBondContact NH2-OD2 3.36Å
57G94.5Very high95.1Very high38 Ų3839.1 Ų39.139%0.39220%0.203SC..EExtended strand (participates in β ladder)trans106.3-176.3-173.900000113T54T54-G57 WeakPolarHBondContact CA-O 3.41Å; T54-G57 WeakPolarHBondContact CB-O 3.35Å; T54-G57 WeakPolarHBondContact CG2-O 3.47Å; T54-G57 PolarHBondContact N-O 2.89Å; T54-G57 PolarHBondContact O-N 2.85Å; T54-G57 VanDerWaalsContact O-N 3.11Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.11Å
58A94.9Very high94.4Very high25 Ų2536.2 Ų36.221%0.20719%0.187CC..EExtended strand (participates in β ladder)trans-75.8144.5179.700000111.4I8 I51 F52I8-A58 HydrophobicContact CD1-CB 4.37Å; I8-A58 HydrophobicContact CG1-CB 4.41Å; I8-A58 HydrophobicContact CG2-CB 4.12Å; I51-A58 HydrophobicContact CG2-CB 4.05Å; F52-A58 WeakPolarHBondContact O-CA 3.32Å
59I95.9Very high93.7Very high7 Ų738.2 Ų38.24%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-126.8139.8170-64.5177000108.1F11 I51 F52 T54 F61 A165 V169 L174F11-I59 HydrophobicContact CD2-CG2 3.65Å; F11-I59 HydrophobicContact CE2-CG2 3.64Å; I51-I59 WeakPolarHBondContact CA-O 3.47Å; F52-I59 PolarHBondContact N-O 2.89Å; F52-I59 PolarHBondContact O-N 2.84Å; T54-I59 HydrophobicContact CG2-CD1 3.9Å; T54-I59 HydrophobicContact CG2-CG1 4.13Å; I59-F61 HydrophobicContact CG2-CE2 4.21Å; I59-A165 HydrophobicContact CD1-CB 4.25Å; I59-V169 HydrophobicContact CD1-CG2 3.53Å; I59-L174 HydrophobicContact CD1-CD1 3.75Å
60R96.6Very high92.6Very high74 Ų7440.4 Ų40.428%0.27920%0.2SC..EExtended strand (participates in β ladder)trans-110.2131.1175.9-173.6-175.5-63.5143-7110.9I8 P9 T10 F11 P49 L50 I51 N62I8-R60 HydrophobicContact CG2-CB 3.9Å; P9-R60 PolarHBondContact O-N 2.85Å; T10-R60 CarbonylContact C-O 3.53Å; T10-R60 VanDerWaalsContact CA-O 3.32Å; T10-R60 WeakPolarHBondContact CA-O 3.34Å; T10-R60 HydrophobicContact CG2-CB 4.26Å; T10-R60 HydrophobicContact CG2-CG 4.21Å; T10-R60 PolarHBondContact OG1-NH1 3.45Å; F11-R60 PolarHBondContact N-O 3.06Å; P49-R60 HydrophobicContact CB-CG 4.42Å; L50-R60 CarbonylContact O-C 3.57Å; L50-R60 VanDerWaalsContact O-CA 3.27Å; L50-R60 WeakPolarHBondContact O-CA 3.45Å; I51-R60 HydrophobicContact CG1-CB 4.34Å; I51-R60 HydrophobicContact CG1-CG 4.16Å; R60-N62 WeakPolarHBondContact CD-OD1 3.31Å
61F97.9Very high91.7Very high0 Ų047.8 Ų47.80%023%0.232CC..EExtended strand (participates in β ladder)trans-102.8117.2161.5-67.6-81.9000108.8F11 C13 L50 F52 I59 V63 F161 L164 A165 L168F11-F61 HydrophobicContact CB-CD1 4.02Å; F11-F61 HydrophobicContact CB-CE1 4.2Å; F11-F61 CarbonylContact O-C 3.59Å; F11-F61 WeakPolarHBondContact O-CA 3.3Å; C13-F61 HydrophobicContact CB-CB 4.28Å; C13-F61 HydrophobicContact CB-CD1 3.96Å; L50-F61 PolarHBondContact N-O 3.39Å; L50-F61 PolarHBondContact O-N 2.96Å; F52-F61 AromaticContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CD2 3.68Å; F52-F61 HydrophobicContact CD2-CE2 4.08Å; F52-F61 AromaticContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CD2 3.72Å; F52-F61 HydrophobicContact CE2-CE2 4.32Å; I59-F61 HydrophobicContact CG2-CE2 4.21Å; F61-V63 HydrophobicContact CB-CG2 3.96Å; F61-V63 PolarHBondContact O-N 3.32Å; F61-F161 HydrophobicContact CB-CD1 4.43Å; F61-F161 HydrophobicContact CB-CE1 4.21Å; F61-F161 HydrophobicContact CD1-CD1 4.47Å; F61-F161 AromaticContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CE1 4.25Å; F61-F161 HydrophobicContact CE2-CB 4.26Å; F61-F161 AromaticContact CE2-CD1 3.9Å; F61-F161 HydrophobicContact CE2-CD1 3.9Å; F61-F161 AromaticContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CE1 4.16Å; F61-F161 HydrophobicContact CZ-CD1 4.42Å; F61-L164 HydrophobicContact CE1-CB 4.15Å; F61-L164 HydrophobicContact CZ-CB 4.05Å; F61-A165 HydrophobicContact CE2-CB 4.37Å; F61-A165 HydrophobicContact CZ-CB 4.1Å; F61-L168 HydrophobicContact CE1-CD1 3.59Å; F61-L168 HydrophobicContact CZ-CD1 4.19Å
62N97.6Very high90.5Very high51 Ų5146.4 Ų46.427%0.27322%0.223SC..EExtended strand (participates in β ladder)trans-79.897.6162.2-75-13.4000106.6T10 F11 C13 V47 R60T10-N62 WeakPolarHBondContact CG2-ND2 3.34Å; F11-N62 PolarHBondContact O-N 2.75Å; C13-N62 PolarHBondContact N-O 3.38Å; V47-N62 HydrophobicContact CG1-CB 4.29Å; R60-N62 WeakPolarHBondContact CD-OD1 3.31Å
63V97.8Very high89.2Confident1 Ų147.3 Ų47.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-84.2118.2-178-174.90000109.4C13 L15 V27 V47 H48 L50 F61 D65 F161C13-V63 HydrophobicContact CB-CG2 4.22Å; C13-V63 CarbonylContact O-C 3.56Å; C13-V63 WeakPolarHBondContact O-CA 3.42Å; L15-V63 HydrophobicContact CB-CG1 3.89Å; L15-V63 HydrophobicContact CD2-CG1 4.22Å; V27-V63 HydrophobicContact CG1-CB 4.48Å; V27-V63 HydrophobicContact CG2-CB 4.47Å; V27-V63 HydrophobicContact CG2-CG1 3.69Å; V47-V63 WeakPolarHBondContact CA-O 3.42Å; H48-V63 PolarHBondContact N-O 3.11Å; H48-V63 PolarHBondContact O-N 2.73Å; L50-V63 HydrophobicContact CD1-CG2 3.58Å; L50-V63 HydrophobicContact CG-CG2 3.86Å; F61-V63 HydrophobicContact CB-CG2 3.96Å; F61-V63 PolarHBondContact O-N 3.32Å; V63-D65 PolarHBondContact O-N 3.05Å; V63-F161 HydrophobicContact CG2-CE1 3.88Å; V63-F161 HydrophobicContact CG2-CZ 4.03Å
64W96.7Very high87.8Confident64 Ų6446.6 Ų46.624%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-90.293.2174.2-72.151.8000107.6K12 C13 L15 V45 V47 T66 Y79K12-W64 HydrophobicContact CD-CD2 4.38Å; K12-W64 HydrophobicContact CD-CZ2 4.26Å; K12-W64 VanDerWaalsContact CE-CE2 3.5Å; K12-W64 HydrophobicContact CG-CG 4.42Å; C13-W64 PolarHBondContact O-N 2.88Å; L15-W64 PolarHBondContact N-O 3.34Å; V45-W64 HydrophobicContact CG1-CE3 4.42Å; V45-W64 HydrophobicContact CG2-CB 3.9Å; V45-W64 HydrophobicContact CG2-CD2 4.31Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.39Å; V47-W64 HydrophobicContact CG2-CD2 3.82Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.23Å; W64-T66 PolarHBondContact O-N 3.12Å; W64-Y79 HydrophobicContact CE3-CD1 4.28Å; W64-Y79 HydrophobicContact CZ3-CD1 4.12Å
65D95.3Very high86.7Confident0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-74.3105.3174-179.332.2000109.4K23 T24 V27 T42 V45 E46 V63K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.3Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.44Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.47Å; T24-D65 PolarHBondContact OG1-OD2 3Å; V27-D65 HydrophobicContact CG2-CB 4.45Å; T42-D65 PolarHBondContact OG1-OD2 3.45Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.36Å; V45-D65 WeakPolarHBondContact CG2-O 3.4Å; E46-D65 PolarHBondContact N-O 3.33Å; E46-D65 PolarHBondContact O-N 3.43Å; V63-D65 PolarHBondContact O-N 3.05Å
66T92.1Very high85.8Confident1 Ų149.2 Ų49.21%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-93.2149.4-174.966.40000112.5L15 V16 K23 V45 W64 G68 Y79L15-T66 PolarHBondContact O-N 3.29Å; L15-T66 PolarHBondContact O-OG1 3.2Å; V16-T66 HydrophobicContact CG1-CG2 4.32Å; V16-T66 WeakPolarHBondContact CG1-OG1 3.49Å; K23-T66 WeakPolarHBondContact CE-O 3.3Å; V45-T66 HydrophobicContact CG2-CG2 4.32Å; W64-T66 PolarHBondContact O-N 3.12Å; T66-G68 PolarHBondContact O-N 2.88Å; T66-Y79 HydrophobicContact CG2-CD2 4.36Å
67A88.9Confident85.2Confident4 Ų445.6 Ų45.63%0.03326%0.257CS..  trans-63.1123.7171.700000111.4T42 G44 Q69 F72T42-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 PolarHBondContact O-N 2.97Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.93Å; A67-F72 HydrophobicContact CB-CB 4.09Å; A67-F72 HydrophobicContact CB-CD2 3.63Å; A67-F72 HydrophobicContact CB-CE2 4.4Å; A67-F72 HydrophobicContact CB-CG 4.13Å
68G81.3Confident84.9Confident9 Ų946 Ų469%0.09326%0.261CS..  trans-85.65.5178.300000115.1G17 G19 T66G17-G68 WeakPolarHBondContact O-CA 3.35Å; G19-G68 PolarHBondContact N-O 3.38Å; T66-G68 PolarHBondContact O-N 2.88Å
69Q80.1Confident84.8Confident65 Ų6546.7 Ų46.730%0.30426%0.258SS..SBendtrans-89137.6-177.2-56.6-68.9-45.300110.2Y39 A41 A67 K71 F72 R76Y39-Q69 PolarHBondContact OH-NE2 3.02Å; A41-Q69 HydrophobicContact CB-CG 4.49Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.93Å; Q69-K71 HydrophobicContact CB-CG 4Å; Q69-K71 PolarHBondContact O-N 3.36Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.23Å; Q69-F72 HydrophobicContact CG-CD2 4.46Å; Q69-F72 HydrophobicContact CG-CE2 4.49Å; Q69-F72 PolarHBondContact O-N 3.07Å; Q69-R76 PolarHBondContact O-NH2 3.15Å
70E73.2Confident84.7Confident120 Ų12046.3 Ų46.356%0.56126%0.256SS*.G310 helixtrans-61.6-31-178.5-62.9-67.9-163.600113.4F72 G73 R76E70-F72 PolarHBondContact O-N 2.93Å; E70-G73 PolarHBondContact O-N 2.94Å; E70-R76 IonicContact OE2-CZ 2.68Å; E70-R76 IonicContact OE2-NH1 3.51Å; E70-R76 PolarHBondContact OE2-NH1 3.28Å; E70-R76 IonicContact OE2-NH2 3.38Å; E70-R76 PolarHBondContact OE2-NH2 3.04Å
71K75.1Confident84.6Confident160 Ų16047.2 Ų47.270%0.69627%0.266SS*.G310 helixtrans-59.3-17.2175.567.5-178.4-179.6177.30114.4Q69Q69-K71 HydrophobicContact CB-CG 4Å; Q69-K71 PolarHBondContact O-N 3.36Å
72F68.1Low84.4Confident46 Ų4655 Ų5520%0.20230%0.302CS..G310 helixtrans-103.58.5175.2-57.8-61.8000112.9L43 A67 Q69 E70 G74 L75L43-F72 HydrophobicContact CD2-CE2 4.01Å; L43-F72 HydrophobicContact CD2-CZ 3.56Å; A67-F72 HydrophobicContact CB-CB 4.09Å; A67-F72 HydrophobicContact CB-CD2 3.63Å; A67-F72 HydrophobicContact CB-CE2 4.4Å; A67-F72 HydrophobicContact CB-CG 4.13Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.23Å; Q69-F72 HydrophobicContact CG-CD2 4.46Å; Q69-F72 HydrophobicContact CG-CE2 4.49Å; Q69-F72 PolarHBondContact O-N 3.07Å; E70-F72 PolarHBondContact O-N 2.93Å; F72-G74 VanDerWaalsContact C-N 3.26Å; F72-G74 PolarHBondContact O-N 3.03Å; F72-L75 PolarHBondContact O-N 2.78Å
73G65.7Low84.4Confident24 Ų2453 Ų5325%0.24729%0.294CS..G310 helixtrans-55.3-36.4-176.800000114.4E70 L75 R76E70-G73 PolarHBondContact O-N 2.94Å; G73-L75 PolarHBondContact O-N 2.99Å; G73-R76 WeakPolarHBondContact O-CB 3.38Å; G73-R76 WeakPolarHBondContact O-CG 3.16Å; G73-R76 PolarHBondContact O-N 3.27Å
74G66.5Low84.5Confident85 Ų8556.9 Ų56.988%0.87631%0.312SS*.G310 helixtrans-66.2-17.3-177.600000115.7F72F72-G74 VanDerWaalsContact C-N 3.26Å; F72-G74 PolarHBondContact O-N 3.03Å
75L71.2Confident84.5Confident102 Ų10253.8 Ų53.853%0.53430%0.3SS..G310 helixtrans-95.8-5178.6-64.4175.2000113.3F72 G73 D77 G78 Y79F72-L75 PolarHBondContact O-N 2.78Å; G73-L75 PolarHBondContact O-N 2.99Å; L75-D77 PolarHBondContact O-N 3.27Å; L75-G78 PolarHBondContact O-N 2.91Å; L75-Y79 HydrophobicContact CB-CE2 3.82Å; L75-Y79 WeakPolarHBondContact O-CD2 3.41Å
76R77.5Confident84.7Confident16 Ų1653.8 Ų53.86%0.0630%0.3CS..Hα-helixtrans-61.4-43-168.6-73.7178.4-175.1162.410.3113.5Q69 E70 G73 G78 Y79 Y80 W104Q69-R76 PolarHBondContact O-NH2 3.15Å; E70-R76 IonicContact OE2-CZ 2.68Å; E70-R76 IonicContact OE2-NH1 3.51Å; E70-R76 PolarHBondContact OE2-NH1 3.28Å; E70-R76 IonicContact OE2-NH2 3.38Å; E70-R76 PolarHBondContact OE2-NH2 3.04Å; G73-R76 WeakPolarHBondContact O-CB 3.38Å; G73-R76 WeakPolarHBondContact O-CG 3.16Å; G73-R76 PolarHBondContact O-N 3.27Å; R76-G78 VanDerWaalsContact C-N 3.28Å; R76-G78 PolarHBondContact O-N 3.33Å; R76-Y79 WeakPolarHBondContact O-CB 3.28Å; R76-Y79 PolarHBondContact O-N 2.81Å; R76-Y80 HydrophobicContact CB-CE2 3.96Å; R76-Y80 WeakPolarHBondContact O-CD1 3.06Å; R76-Y80 PolarHBondContact O-N 3.45Å; R76-W104 VanDerWaalsContact NE-CZ3 3.28Å
77D82Confident85Confident66 Ų6653.8 Ų53.835%0.35330%0.3SS..Hα-helixtrans-59.1-40.6-176.1-70.6-8.9000112L75 Y79 Y80 I81 R110 V111L75-D77 PolarHBondContact O-N 3.27Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.37Å; D77-Y80 PolarHBondContact O-N 3.02Å; D77-I81 PolarHBondContact O-N 3.38Å; D77-R110 IonicContact OD1-CZ 2.82Å; D77-R110 IonicContact OD1-NE 2.73Å; D77-R110 IonicContact OD1-NH2 3.17Å; D77-R110 PolarHBondContact OD1-NH2 2.98Å; D77-R110 IonicContact OD2-CZ 2.75Å; D77-R110 IonicContact OD2-NH2 2.84Å; D77-R110 PolarHBondContact OD2-NH2 2.88Å; D77-V111 HydrophobicContact CB-CG2 4.17Å
78G89.7Confident85.5Confident45 Ų4553.6 Ų53.646%0.46430%0.298SS..Hα-helixtrans-62.1-33.7177.200000113.1L75 R76 Y80L75-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact C-N 3.28Å; R76-G78 PolarHBondContact O-N 3.33Å; G78-Y80 VanDerWaalsContact C-N 3.31Å
79Y91.5Very high86.3Confident40 Ų4053.2 Ų53.216%0.15729%0.294CS..Hα-helixtrans-72.2-26.8175.8-56.5-39.8000112.4K12 G44 V45 W64 T66 L75 R76 D77K12-Y79 WeakPolarHBondContact CE-O 3.39Å; K12-Y79 PolarHBondContact NZ-O 3.03Å; G44-Y79 WeakPolarHBondContact CA-OH 3.46Å; V45-Y79 HydrophobicContact CB-CD1 3.83Å; V45-Y79 HydrophobicContact CB-CD2 4.38Å; V45-Y79 HydrophobicContact CB-CE1 3.75Å; V45-Y79 HydrophobicContact CB-CE2 4.3Å; V45-Y79 HydrophobicContact CB-CG 4.16Å; V45-Y79 HydrophobicContact CG1-CD1 3.56Å; V45-Y79 HydrophobicContact CG1-CE1 3.28Å; V45-Y79 HydrophobicContact CG1-CG 4.39Å; V45-Y79 HydrophobicContact CG2-CD1 4.44Å; W64-Y79 HydrophobicContact CE3-CD1 4.28Å; W64-Y79 HydrophobicContact CZ3-CD1 4.12Å; T66-Y79 HydrophobicContact CG2-CD2 4.36Å; L75-Y79 HydrophobicContact CB-CE2 3.82Å; L75-Y79 WeakPolarHBondContact O-CD2 3.41Å; R76-Y79 WeakPolarHBondContact O-CB 3.28Å; R76-Y79 PolarHBondContact O-N 2.81Å; D77-Y79 VanDerWaalsContact C-N 3.27Å; D77-Y79 PolarHBondContact O-N 3.37Å
80Y93.9Very high87.2Confident0 Ų050.1 Ų50.10%028%0.28CS..Hα-helixtrans-79.4-33.5-177.9-57.8-19.3000113.1V14 V16 R76 D77 G78 Q82 G83 D107 L108 V111 C112V14-Y80 HydrophobicContact CG1-CD1 3.58Å; V14-Y80 HydrophobicContact CG1-CE1 3.76Å; V16-Y80 HydrophobicContact CG1-CE1 3.48Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.48Å; R76-Y80 HydrophobicContact CB-CE2 3.96Å; R76-Y80 WeakPolarHBondContact O-CD1 3.06Å; R76-Y80 PolarHBondContact O-N 3.45Å; D77-Y80 PolarHBondContact O-N 3.02Å; G78-Y80 VanDerWaalsContact C-N 3.31Å; Y80-Q82 PolarHBondContact O-N 3.5Å; Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.01Å; Y80-D107 HydrophobicContact CE2-CB 4.11Å; Y80-L108 HydrophobicContact CD1-CD1 4.14Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; Y80-V111 HydrophobicContact CD2-CB 4.38Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; Y80-C112 PolarHBondContact O-SG 2.89Å
81I94.1Very high88.4Confident93 Ų9344.9 Ų44.948%0.47726%0.256SS..THydrogen-bonded Turntrans-42.4128.1-177.2-67.8170.1000111.8K12 D77 G83 V111K12-I81 WeakPolarHBondContact CE-O 3.4Å; K12-I81 PolarHBondContact NZ-O 2.98Å; D77-I81 PolarHBondContact O-N 3.38Å; I81-G83 PolarHBondContact O-N 2.93Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å
82Q95.3Very high89.5Confident164 Ų16437.3 Ų37.377%0.76622%0.223SC*.THydrogen-bonded Turntrans61.419.8-178-60.7171.6-14.200115.2Y80 Q84Y80-Q82 PolarHBondContact O-N 3.5Å; Q82-Q84 PolarHBondContact O-N 2.95Å
83G97.2Very high90.9Very high9 Ų937 Ų379%0.09323%0.225CC..  trans-56.6132.3165.700000110Y80 I81 I115Y80-G83 WeakPolarHBondContact O-CA 3.32Å; Y80-G83 PolarHBondContact O-N 3.01Å; I81-G83 PolarHBondContact O-N 2.93Å; G83-I115 WeakPolarHBondContact O-CG2 3.19Å
84Q98.4Very high92.4Very high81 Ų8137.5 Ų37.538%0.37922%0.224SC..  trans-104.4-22.4178.7-69.1167.4-7900111.5F11 K12 Q82 P116 L168F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.48Å; K12-Q84 PolarHBondContact O-N 3.23Å; Q82-Q84 PolarHBondContact O-N 2.95Å; Q84-P116 WeakPolarHBondContact O-CD 3.38Å; Q84-L168 HydrophobicContact CB-CD2 4.31Å; Q84-L168 WeakPolarHBondContact O-CD2 3.48Å
85C98.6Very high93.9Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-153.4167.5171.956.70000110.1K12 C13 V14 P116 L164 L168K12-C85 PolarHBondContact O-N 3.39Å; C13-C85 WeakPolarHBondContact CA-O 3.37Å; C13-C85 VanDerWaalsContact CB-SG 3.54Å; V14-C85 PolarHBondContact N-O 2.93Å; C85-P116 CarbonylContact C-O 3.54Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.43Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.4Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å
86A98.5Very high95.2Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-145158.4174.700000114V14 L108 I115 P116 I117 V118V14-A86 HydrophobicContact CB-CB 4.2Å; V14-A86 CarbonylContact O-C 3.51Å; V14-A86 WeakPolarHBondContact O-CA 3.42Å; V14-A86 VanDerWaalsContact O-CB 3.3Å; V14-A86 WeakPolarHBondContact O-CB 3.27Å; A86-L108 HydrophobicContact CB-CD1 4.2Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.41Å; A86-I115 HydrophobicContact CB-CD1 4.07Å; A86-P116 PolarHBondContact N-O 3.38Å; A86-I117 HydrophobicContact CB-CG1 4.17Å; A86-I117 WeakPolarHBondContact O-CA 3.42Å; A86-V118 PolarHBondContact O-N 2.95Å
87V98.6Very high96.1Very high1 Ų140.6 Ų40.61%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-120.2123.1165.5177.50000107.8V14 L15 V16 V118 C120 L164V14-V87 PolarHBondContact O-N 3.36Å; L15-V87 WeakPolarHBondContact CA-O 3.44Å; L15-V87 HydrophobicContact CD1-CB 3.72Å; L15-V87 HydrophobicContact CD1-CG1 3.7Å; V16-V87 PolarHBondContact N-O 2.8Å; V87-V118 CarbonylContact C-O 3.56Å; V87-V118 VanDerWaalsContact CA-O 3.31Å; V87-V118 WeakPolarHBondContact CA-O 3.4Å; V87-C120 HydrophobicContact CG1-CB 4.23Å; V87-L164 HydrophobicContact CG2-CD1 3.91Å
88I98.3Very high96.9Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-100.5120.2169.7-50.8-178.6000107.1V16 V101 W104 H105 L108 I117 V118 L119 C120V16-I88 HydrophobicContact CG2-CB 4.27Å; V16-I88 HydrophobicContact CG2-CG1 3.76Å; V16-I88 HydrophobicContact CG2-CG2 4.37Å; V16-I88 WeakPolarHBondContact O-CA 3.29Å; I88-V101 HydrophobicContact CG2-CG1 4.2Å; I88-V101 HydrophobicContact CG2-CG2 4.32Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; I88-H105 HydrophobicContact CD1-CB 3.78Å; I88-L108 HydrophobicContact CD1-CD2 4.44Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.88Å; I88-V118 PolarHBondContact N-O 2.93Å; I88-L119 HydrophobicContact CB-CD1 4.1Å; I88-L119 HydrophobicContact CG2-CD1 4.16Å; I88-L119 CarbonylContact O-C 3.55Å; I88-L119 WeakPolarHBondContact O-CA 3.34Å; I88-C120 PolarHBondContact O-N 3.37Å
89M98.6Very high97.3Very high1 Ų144.3 Ų44.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-112130.9-176.7-170.7176.2-65.100111.5L15 V16 G17 K23 F26 C120 N122 I149L15-M89 HydrophobicContact CD1-CB 4.47Å; L15-M89 HydrophobicContact CD1-CE 4.24Å; V16-M89 PolarHBondContact O-N 2.72Å; G17-M89 WeakPolarHBondContact CA-O 3.3Å; K23-M89 HydrophobicContact CG-CB 4.05Å; K23-M89 HydrophobicContact CG-SD 4.11Å; F26-M89 HydrophobicContact CB-CE 3.74Å; F26-M89 HydrophobicContact CD1-CE 3.91Å; F26-M89 HydrophobicContact CD2-CE 4.18Å; F26-M89 HydrophobicContact CG-CE 3.69Å; M89-C120 WeakPolarHBondContact CA-O 3.42Å; M89-N122 HydrophobicContact CG-CB 3.97Å; M89-N122 HydrophobicContact SD-CB 3.87Å; M89-I149 HydrophobicContact CE-CD1 3.84Å
90F98.7Very high97.5Very high0 Ų043.8 Ų43.80%021%0.212CC..EExtended strand (participates in β ladder)trans-123.1170166.672.7-86.3000110.7V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146F90-V92 HydrophobicContact CE2-CG1 3.93Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD2-CD2 4.04Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.29Å; F90-Y98 AromaticContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CG 4.35Å; F90-Y98 HydrophobicContact CG-CD2 4.07Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.36Å; F90-V101 HydrophobicContact CB-CG2 3.98Å; F90-V101 HydrophobicContact CD1-CG2 4.05Å; F90-V101 HydrophobicContact CG-CG2 4.29Å; F90-L119 HydrophobicContact CD1-CD1 3.73Å; F90-L119 HydrophobicContact CD1-CG 4.2Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.12Å; F90-L119 HydrophobicContact CE1-CG 3.88Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.87Å; F90-G121 VanDerWaalsContact CZ-CA 3.49Å; F90-N122 PolarHBondContact O-N 3.08Å; F90-V131 HydrophobicContact CE2-CB 4.22Å; F90-V131 HydrophobicContact CE2-CG1 3.92Å; F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.43Å; F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.83Å; F90-Y146 HydrophobicContact CZ-CE2 3.83Å
91D98.4Very high97.7Very high10 Ų1043.9 Ų43.95%0.05321%0.212CC..EExtended strand (participates in β ladder)trans-105.7119.6179-179.8-14.6000109.5T21 T93 S94 T97 K123T21-D91 HydrophobicContact CG2-CB 4.33Å; D91-T93 PolarHBondContact O-N 2.82Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 WeakPolarHBondContact OD1-CA 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.86Å; D91-T93 PolarHBondContact OD1-OG1 2.81Å; D91-T93 PolarHBondContact OD2-OG1 3.3Å; D91-S94 PolarHBondContact O-N 3.1Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.47Å; D91-T97 PolarHBondContact O-OG1 3.22Å; D91-K123 WeakPolarHBondContact OD2-CD 3.08Å; D91-K123 WeakPolarHBondContact OD2-CE 3.44Å; D91-K123 IonicContact OD2-NZ 2.66Å; D91-K123 PolarHBondContact OD2-NZ 3.18Å
92V98.4Very high97.8Very high0 Ų042 Ų420%021%0.206CC..THydrogen-bonded Turntrans-65.4-13.4-178.6-56.50000113.5F90 N122 V124 R129 K130 V131F90-V92 HydrophobicContact CE2-CG1 3.93Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 VanDerWaalsContact CG2-O 3.31Å; V92-N122 WeakPolarHBondContact CG2-O 3.3Å; V92-N122 PolarHBondContact N-O 2.84Å; V92-V124 HydrophobicContact CG1-CG1 3.89Å; V92-V124 HydrophobicContact CG2-CG1 4.04Å; V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.17Å; V92-K130 PolarHBondContact O-N 3.45Å; V92-V131 PolarHBondContact O-N 3.36Å
93T98Very high97.8Very high40 Ų4037 Ų3725%0.24519%0.185CC..THydrogen-bonded Turntrans-90.2-817572.90000113.1D91 I126 K130D91-T93 PolarHBondContact O-N 2.82Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 WeakPolarHBondContact OD1-CA 3.31Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.86Å; D91-T93 PolarHBondContact OD1-OG1 2.81Å; D91-T93 PolarHBondContact OD2-OG1 3.3Å; T93-I126 HydrophobicContact CG2-CB 3.74Å; T93-I126 HydrophobicContact CG2-CD1 3.78Å; T93-I126 HydrophobicContact CG2-CG1 4.29Å; T93-I126 HydrophobicContact CG2-CG2 3.83Å; T93-K130 WeakPolarHBondContact O-CG 3.34Å
94S97.8Very high97.7Very high35 Ų3536.7 Ų36.725%0.24518%0.181CC..  trans-130.1101.2-175.1-1740000111.8D91 V96 T97D91-S94 PolarHBondContact O-N 3.1Å; S94-V96 PolarHBondContact O-N 3.5Å; S94-V96 VanDerWaalsContact OG-CG1 3.28Å; S94-V96 WeakPolarHBondContact OG-CG1 3.26Å; S94-T97 PolarHBondContact O-N 2.91Å; S94-T97 PolarHBondContact O-OG1 2.98Å
95R97.7Very high97.6Very high178 Ų17833.8 Ų33.867%0.67217%0.167SC*.Hα-helixtrans-56-35.8-177.9-66.2-176178.5177.32.1113.3T97 Y98 K99 K130 V131R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.42Å; R95-Y98 PolarHBondContact O-N 2.99Å; R95-K99 PolarHBondContact O-N 2.89Å; R95-K130 HydrophobicContact CG-CB 4Å; R95-K130 PolarHBondContact NE-O 3.32Å; R95-V131 HydrophobicContact CG-CG2 4.24Å
96V97.3Very high97.4Very high81 Ų8140.1 Ų40.149%0.49119%0.191SC..Hα-helixtrans-60.5-37.9179.561.70000111.7S94 Y98 K99 N100S94-V96 PolarHBondContact O-N 3.5Å; S94-V96 VanDerWaalsContact OG-CG1 3.28Å; S94-V96 WeakPolarHBondContact OG-CG1 3.26Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.19Å; V96-K99 WeakPolarHBondContact O-CB 3.27Å; V96-K99 PolarHBondContact O-N 3.14Å; V96-K99 VanDerWaalsContact O-N 3.16Å; V96-N100 PolarHBondContact O-N 2.63Å; V96-N100 PolarHBondContact O-ND2 3.23Å
97T98.1Very high97.2Very high8 Ų841 Ų415%0.04920%0.196CC..Hα-helixtrans-66.9-32.6-179.368.30000112.3D18 T21 D91 S94 R95D18-T97 HydrophobicContact CB-CG2 3.82Å; D18-T97 WeakPolarHBondContact OD2-CA 3.47Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.47Å; D91-T97 PolarHBondContact O-OG1 3.22Å; S94-T97 PolarHBondContact O-N 2.91Å; S94-T97 PolarHBondContact O-OG1 2.98Å; R95-T97 VanDerWaalsContact C-N 3.27Å; R95-T97 PolarHBondContact O-N 3.42Å
98Y98.4Very high97Very high35 Ų3541 Ų4114%0.13720%0.196CC..Hα-helixtrans-75-40.6172.7-177.9-108.3000111.7F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138F90-Y98 AromaticContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD1-CD2 3.98Å; F90-Y98 HydrophobicContact CD2-CD2 4.04Å; F90-Y98 HydrophobicContact CD2-CG 4.35Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.29Å; F90-Y98 AromaticContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CD2 3.91Å; F90-Y98 HydrophobicContact CE2-CG 4.35Å; F90-Y98 HydrophobicContact CG-CD2 4.07Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.36Å; R95-Y98 PolarHBondContact O-N 2.99Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.19Å; Y98-N100 PolarHBondContact O-N 3.15Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; Y98-V101 HydrophobicContact CD2-CG2 4.19Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.31Å; Y98-V101 PolarHBondContact O-N 3.23Å; Y98-L119 HydrophobicContact CE2-CD2 4.35Å; Y98-V131 HydrophobicContact CD1-CG1 4Å; Y98-V131 HydrophobicContact CD2-CG1 4.35Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; Y98-S135 VanDerWaalsContact CE1-O 3.28Å; Y98-S135 WeakPolarHBondContact CE1-O 3.36Å; Y98-S135 PolarHBondContact OH-O 2.92Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.33Å; Y98-I136 HydrophobicContact CE2-CG2 3.91Å; Y98-I136 VanDerWaalsContact OH-CA 3.3Å; Y98-I136 WeakPolarHBondContact OH-CA 3.2Å; Y98-V137 PolarHBondContact OH-N 3.01Å; Y98-F138 HydrophobicContact CE2-CB 4.46Å; Y98-F138 WeakPolarHBondContact OH-CB 3.31Å; Y98-F138 PolarHBondContact OH-N 3.34Å; Y98-F138 VanDerWaalsContact OH-N 3.12Å
99K97.3Very high96.8Very high154 Ų15443.3 Ų43.367%0.6721%0.209SC*.Hα-helixtrans-57.2-29.6174.5-174.4174.7-179.6171.20112.6R95 V96 P102R95-K99 PolarHBondContact O-N 2.89Å; V96-K99 WeakPolarHBondContact O-CB 3.27Å; V96-K99 PolarHBondContact O-N 3.14Å; V96-K99 VanDerWaalsContact O-N 3.16Å; K99-P102 WeakPolarHBondContact O-CD 3.45Å
100N96.7Very high96.6Very high30 Ų3050.4 Ų50.416%0.1624%0.236CC..THydrogen-bonded Turntrans-85.8-11178.8-71.6-20.9000114.5D18 V96 Y98 P102 N103 W104D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.04Å; V96-N100 PolarHBondContact O-N 2.63Å; V96-N100 PolarHBondContact O-ND2 3.23Å; Y98-N100 PolarHBondContact O-N 3.15Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; N100-N103 WeakPolarHBondContact O-CB 3.48Å; N100-N103 PolarHBondContact O-N 3.28Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.27Å
101V97.6Very high96.4Very high1 Ų152.7 Ų52.71%0.00625%0.25CS..Hα-helixtrans-52.6-44.4178167.30000112.9I88 F90 Y98 N103 W104 H105 L119 F138I88-V101 HydrophobicContact CG2-CG1 4.2Å; I88-V101 HydrophobicContact CG2-CG2 4.32Å; F90-V101 HydrophobicContact CB-CG2 3.98Å; F90-V101 HydrophobicContact CD1-CG2 4.05Å; F90-V101 HydrophobicContact CG-CG2 4.29Å; Y98-V101 HydrophobicContact CD2-CG2 4.19Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.31Å; Y98-V101 PolarHBondContact O-N 3.23Å; V101-N103 VanDerWaalsContact C-N 3.25Å; V101-N103 PolarHBondContact O-N 3.03Å; V101-W104 PolarHBondContact O-N 2.91Å; V101-H105 WeakPolarHBondContact O-CB 3.47Å; V101-H105 PolarHBondContact O-N 2.72Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.45Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; V101-F138 HydrophobicContact CG1-CD1 3.5Å; V101-F138 VanDerWaalsContact CG1-CD1 3.5Å; V101-F138 HydrophobicContact CG1-CE1 3.71Å; V101-F138 HydrophobicContact CG1-CG 4.14Å
102P96.8Very high96.3Very high53 Ų5352.7 Ų52.734%0.34425%0.251SS..Hα-helixtrans-57-35.3175.7-25.734.6000114.1K99 N100 R106 F138K99-P102 WeakPolarHBondContact O-CD 3.45Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.48Å; P102-R106 PolarHBondContact O-N 3.27Å; P102-F138 HydrophobicContact CB-CD2 4.34Å; P102-F138 HydrophobicContact CB-CE2 3.71Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.8Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.42Å
103N94.6Very high96Very high60 Ų6060 Ų6032%0.32129%0.285SS..Hα-helixtrans-68.1-49.9177.7-66.3-37.4000110.9N100 V101 H105 R106 D107N100-N103 WeakPolarHBondContact O-CB 3.48Å; N100-N103 PolarHBondContact O-N 3.28Å; V101-N103 VanDerWaalsContact C-N 3.25Å; V101-N103 PolarHBondContact O-N 3.03Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.33Å; N103-R106 PolarHBondContact O-N 3.17Å; N103-R106 PolarHBondContact OD1-NH1 2.47Å; N103-D107 PolarHBondContact O-N 2.87Å
104W95.6Very high95.8Very high3 Ų365.8 Ų65.81%0.01131%0.314CS..Hα-helixtrans-58.7-42.2176.2-71.4107.1000112.3V16 G17 D18 R76 I88 N100 V101 L108V16-W104 HydrophobicContact CB-CD2 4.35Å; V16-W104 HydrophobicContact CB-CE3 3.72Å; V16-W104 HydrophobicContact CB-CZ3 4.12Å; V16-W104 HydrophobicContact CG1-CE3 4.13Å; V16-W104 HydrophobicContact CG1-CZ3 4.24Å; V16-W104 HydrophobicContact CG2-CB 4.49Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.18Å; D18-W104 PolarHBondContact OD1-NE1 3.05Å; R76-W104 VanDerWaalsContact NE-CZ3 3.28Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.27Å; V101-W104 PolarHBondContact O-N 2.91Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 2.99Å; W104-L108 PolarHBondContact O-N 2.73Å
105H96.3Very high95.7Very high20 Ų2065.5 Ų65.59%0.09331%0.31CS..Hα-helixtrans-63.1-49.3176.1176-80.7000111.4I88 V101 N103 D107 L108 V109 F138I88-H105 HydrophobicContact CD1-CB 3.78Å; V101-H105 WeakPolarHBondContact O-CB 3.47Å; V101-H105 PolarHBondContact O-N 2.72Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.33Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.82Å; H105-L108 PolarHBondContact O-N 3.24Å; H105-V109 WeakPolarHBondContact O-CG1 3.35Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 2.81Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.59Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.76Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.94Å
106R94.3Very high95.8Very high132 Ų13258.4 Ų58.450%0.49829%0.287SS..Hα-helixtrans-55.6-48.4178.7178.6-165.764-135.4-8.7111.3P102 N103 L108 R110P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.48Å; P102-R106 PolarHBondContact O-N 3.27Å; N103-R106 PolarHBondContact O-N 3.17Å; N103-R106 PolarHBondContact OD1-NH1 2.47Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 2.84Å; R106-R110 WeakPolarHBondContact O-CB 3.39Å; R106-R110 PolarHBondContact O-N 2.96Å; R106-R110 VanDerWaalsContact O-N 3.11Å
107D93.3Very high95.8Very high20 Ų2055 Ų5511%0.10727%0.265CS..Hα-helixtrans-67.6-37.4-177-60.4-8.6000111Y80 N103 H105Y80-D107 HydrophobicContact CE2-CB 4.11Å; N103-D107 PolarHBondContact O-N 2.87Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.82Å
108L94.6Very high95.9Very high0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-64.5-52.4175.5179.671.2000112.1V14 Y80 A86 I88 W104 H105 R106 R110 V111 C112 I115 I117V14-L108 HydrophobicContact CB-CD1 4.25Å; V14-L108 HydrophobicContact CG1-CD1 3.96Å; Y80-L108 HydrophobicContact CD1-CD1 4.14Å; Y80-L108 HydrophobicContact CG-CD1 4.16Å; A86-L108 HydrophobicContact CB-CD1 4.2Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.41Å; I88-L108 HydrophobicContact CD1-CD2 4.44Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 2.99Å; W104-L108 PolarHBondContact O-N 2.73Å; H105-L108 PolarHBondContact O-N 3.24Å; R106-L108 VanDerWaalsContact C-N 3.34Å; R106-L108 PolarHBondContact O-N 2.84Å; L108-R110 PolarHBondContact O-N 2.68Å; L108-V111 PolarHBondContact O-N 2.95Å; L108-C112 PolarHBondContact O-N 2.8Å; L108-I115 HydrophobicContact CD1-CD1 4.35Å; L108-I115 HydrophobicContact CD2-CD1 4.33Å; L108-I115 HydrophobicContact CG-CD1 4.38Å; L108-I117 HydrophobicContact CD2-CD1 3.7Å; L108-I117 HydrophobicContact CD2-CG1 4.03Å
109V95.2Very high95.9Very high48 Ų4852.9 Ų52.929%0.29126%0.257SS..Hα-helixtrans-72.1-18.5-175.3-580000113.2H105 V111 I117H105-V109 WeakPolarHBondContact O-CG1 3.35Å; H105-V109 WeakPolarHBondContact O-CG2 3.49Å; H105-V109 PolarHBondContact O-N 2.81Å; V109-V111 PolarHBondContact O-N 3.18Å; V109-I117 HydrophobicContact CG1-CD1 3.99Å
110R94Very high96Very high151 Ų15145.6 Ų45.657%0.5723%0.225SC*.Hα-helixtrans-62.4-30.7169.1-178.8179.367.4-172.5-0.2112.3D77 R106 L108D77-R110 IonicContact OD1-CZ 2.82Å; D77-R110 IonicContact OD1-NE 2.73Å; D77-R110 IonicContact OD1-NH2 3.17Å; D77-R110 PolarHBondContact OD1-NH2 2.98Å; D77-R110 IonicContact OD2-CZ 2.75Å; D77-R110 IonicContact OD2-NH2 2.84Å; D77-R110 PolarHBondContact OD2-NH2 2.88Å; R106-R110 WeakPolarHBondContact O-CB 3.39Å; R106-R110 PolarHBondContact O-N 2.96Å; R106-R110 VanDerWaalsContact O-N 3.11Å; L108-R110 PolarHBondContact O-N 2.68Å
111V95.2Very high96Very high48 Ų4844.1 Ų44.129%0.29122%0.217SC..Hα-helixtrans-102.9-37.7-178.5-176.80000111.8D77 Y80 I81 L108 V109D77-V111 HydrophobicContact CB-CG2 4.17Å; Y80-V111 HydrophobicContact CD2-CB 4.38Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å; L108-V111 PolarHBondContact O-N 2.95Å; V109-V111 PolarHBondContact O-N 3.18Å
112C94.8Very high96.1Very high9 Ų944.3 Ų44.36%0.06122%0.218CC..SBendtrans-119.491.6-178.8-64.50000110.5Y80 L108 I115Y80-C112 PolarHBondContact O-SG 2.89Å; L108-C112 PolarHBondContact O-N 2.8Å; C112-I115 HydrophobicContact CB-CD1 3.61Å; C112-I115 HydrophobicContact CB-CG1 3.93Å; C112-I115 HydrophobicContact CB-CG2 4.01Å
113E92.8Very high96.1Very high154 Ų15444.3 Ų44.372%0.7221%0.213SC*.THydrogen-bonded Turntrans-70.4139175.6-63-176.1-17600111.1I115E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.46Å; E113-I115 VanDerWaalsContact O-N 3.14Å
114N92.8Very high96.2Very high162 Ų16241.5 Ų41.587%0.86620%0.197SC*.THydrogen-bonded Turntrans58.125.8168.9-56.7-48.9000117
115I97.6Very high96.2Very high28 Ų2842.8 Ų42.814%0.14421%0.205CC..  trans-79.9149.4172.959.7164.1000111.9G83 A86 L108 C112 E113 I117G83-I115 WeakPolarHBondContact O-CG2 3.19Å; A86-I115 HydrophobicContact CB-CD1 4.07Å; L108-I115 HydrophobicContact CD1-CD1 4.35Å; L108-I115 HydrophobicContact CD2-CD1 4.33Å; L108-I115 HydrophobicContact CG-CD1 4.38Å; C112-I115 HydrophobicContact CB-CD1 3.61Å; C112-I115 HydrophobicContact CB-CG1 3.93Å; C112-I115 HydrophobicContact CB-CG2 4.01Å; E113-I115 VanDerWaalsContact C-N 3.28Å; E113-I115 PolarHBondContact O-N 3.46Å; E113-I115 VanDerWaalsContact O-N 3.14Å; I115-I117 HydrophobicContact CD1-CG1 4.31Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.34Å; I115-I117 PolarHBondContact O-N 3.27Å
116P98.3Very high96.1Very high30 Ų3045 Ų4520%0.19522%0.217CC..  trans-63.2128.2169.3-21.533.8000111.2Q84 C85 A86 W163 L164 K167 L168Q84-P116 WeakPolarHBondContact O-CD 3.38Å; C85-P116 CarbonylContact C-O 3.54Å; C85-P116 VanDerWaalsContact CA-O 3.24Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.43Å; A86-P116 PolarHBondContact N-O 3.38Å; P116-W163 HydrophobicContact CB-CH2 4.3Å; P116-W163 HydrophobicContact CB-CZ3 3.79Å; P116-L164 HydrophobicContact CB-CD2 3.82Å; P116-L164 WeakPolarHBondContact O-CD2 3.44Å; P116-K167 HydrophobicContact CB-CB 3.9Å; P116-K167 HydrophobicContact CB-CG 4.4Å; P116-K167 HydrophobicContact CG-CB 3.8Å; P116-L168 HydrophobicContact CG-CD2 4.31Å
117I98.6Very high96Very high8 Ų845.3 Ų45.34%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-128.6133.3-178.2-60166000109.6A86 I88 L108 V109 I115 L144 Q145A86-I117 HydrophobicContact CB-CG1 4.17Å; A86-I117 WeakPolarHBondContact O-CA 3.42Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.88Å; L108-I117 HydrophobicContact CD2-CD1 3.7Å; L108-I117 HydrophobicContact CD2-CG1 4.03Å; V109-I117 HydrophobicContact CG1-CD1 3.99Å; I115-I117 HydrophobicContact CD1-CG1 4.31Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.98Å; I115-I117 WeakPolarHBondContact O-CG1 3.34Å; I115-I117 PolarHBondContact O-N 3.27Å; I117-L144 HydrophobicContact CB-CD2 3.98Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.3Å; I117-L144 HydrophobicContact CG2-CD2 4.25Å; I117-Q145 PolarHBondContact O-N 2.7Å
118V98.7Very high96.1Very high0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-109.4128.5171.6-175.90000109.8A86 V87 I88 Q145 Y147 P160 W163 L164A86-V118 PolarHBondContact O-N 2.95Å; V87-V118 CarbonylContact C-O 3.56Å; V87-V118 VanDerWaalsContact CA-O 3.31Å; V87-V118 WeakPolarHBondContact CA-O 3.4Å; I88-V118 PolarHBondContact N-O 2.93Å; V118-Q145 CarbonylContact C-O 3.56Å; V118-Q145 WeakPolarHBondContact CA-O 3.44Å; V118-Q145 HydrophobicContact CG2-CB 4.35Å; V118-Y147 HydrophobicContact CG1-CD2 3.75Å; V118-Y147 HydrophobicContact CG1-CE2 4.32Å; V118-P160 HydrophobicContact CB-CB 4.45Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.43Å; V118-W163 HydrophobicContact CG2-CD2 4.26Å; V118-W163 HydrophobicContact CG2-CE3 3.45Å; V118-W163 VanDerWaalsContact CG2-CE3 3.45Å; V118-W163 HydrophobicContact CG2-CZ3 3.89Å; V118-L164 HydrophobicContact CG2-CD1 4.28Å; V118-L164 HydrophobicContact CG2-CD2 3.8Å; V118-L164 HydrophobicContact CG2-CG 3.71Å
119L98.7Very high96.2Very high0 Ų049.1 Ų49.10%024%0.242CC..EExtended strand (participates in β ladder)trans-90124.2167.8-178.965000109.5I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147I88-L119 HydrophobicContact CB-CD1 4.1Å; I88-L119 HydrophobicContact CG2-CD1 4.16Å; I88-L119 CarbonylContact O-C 3.55Å; I88-L119 WeakPolarHBondContact O-CA 3.34Å; F90-L119 HydrophobicContact CD1-CD1 3.73Å; F90-L119 HydrophobicContact CD1-CG 4.2Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.12Å; F90-L119 HydrophobicContact CE1-CG 3.88Å; Y98-L119 HydrophobicContact CE2-CD2 4.35Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.45Å; V101-L119 HydrophobicContact CG2-CD1 3.9Å; L119-I136 HydrophobicContact CD2-CG2 4.3Å; L119-H139 HydrophobicContact CD2-CB 4.09Å; L119-Q145 PolarHBondContact N-O 2.95Å; L119-Y146 HydrophobicContact CB-CD2 4.08Å; L119-Y146 HydrophobicContact CD2-CD2 3.91Å; L119-Y146 HydrophobicContact CD2-CE2 4.37Å; L119-Y146 HydrophobicContact CG-CD2 3.84Å; L119-Y146 HydrophobicContact CG-CE2 4.24Å; L119-Y146 WeakPolarHBondContact O-CA 3.48Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.43Å; L119-Y147 PolarHBondContact O-N 3.42Å
120C98.7Very high96.3Very high0 Ų050.8 Ų50.80%025%0.245CC..EExtended strand (participates in β ladder)trans-116.3121.3179.7-69.10000111.5V87 I88 M89 F90 Y147 I149 P160V87-C120 HydrophobicContact CG1-CB 4.23Å; I88-C120 PolarHBondContact O-N 3.37Å; M89-C120 WeakPolarHBondContact CA-O 3.42Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.87Å; C120-Y147 WeakPolarHBondContact CA-O 3.44Å; C120-I149 HydrophobicContact CB-CD1 3.81Å; C120-I149 HydrophobicContact CB-CG1 4.16Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å
121G98.6Very high96.4Very high0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-89.6101.5166.900000109.8F90 Y147 I149F90-G121 VanDerWaalsContact CZ-CA 3.49Å; G121-Y147 PolarHBondContact N-O 3.17Å; G121-I149 PolarHBondContact O-N 3.26Å
122N98.4Very high96.4Very high4 Ų446.5 Ų46.52%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-87.1165.5-177.6-169.228.5000112.4T21 M89 F90 V92 I149 A151T21-N122 PolarHBondContact O-ND2 2.93Å; M89-N122 HydrophobicContact CG-CB 3.97Å; M89-N122 HydrophobicContact SD-CB 3.87Å; F90-N122 PolarHBondContact O-N 3.08Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 VanDerWaalsContact CG2-O 3.31Å; V92-N122 WeakPolarHBondContact CG2-O 3.3Å; V92-N122 PolarHBondContact N-O 2.84Å; N122-I149 CarbonylContact C-O 3.46Å; N122-I149 VanDerWaalsContact CA-O 3.29Å; N122-I149 WeakPolarHBondContact CA-O 3.31Å; N122-I149 HydrophobicContact CB-CD1 4.22Å; N122-I149 HydrophobicContact CB-CG1 3.93Å; N122-I149 PolarHBondContact OD1-O 2.91Å; N122-A151 PolarHBondContact OD1-N 3.32Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å
123K96.9Very high96.3Very high54 Ų5446.3 Ų46.324%0.23523%0.226CC..  trans69.530.9177-46.1-169.6-166.3166.20114.5G20 D91 D125 I126 I149G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.9Å; D91-K123 WeakPolarHBondContact OD2-CD 3.08Å; D91-K123 WeakPolarHBondContact OD2-CE 3.44Å; D91-K123 IonicContact OD2-NZ 2.66Å; D91-K123 PolarHBondContact OD2-NZ 3.18Å; K123-D125 WeakPolarHBondContact CA-OD1 3.01Å; K123-D125 PolarHBondContact O-N 3.32Å; K123-D125 VanDerWaalsContact O-N 3.12Å; K123-I126 HydrophobicContact CB-CD1 4.11Å; K123-I126 HydrophobicContact CB-CG1 4.48Å; K123-I126 HydrophobicContact CD-CD1 4.33Å; K123-I126 PolarHBondContact O-N 3.22Å; K123-I149 PolarHBondContact N-O 3.11Å; K123-I149 VanDerWaalsContact N-O 3.17Å
124V97.1Very high96.3Very high0 Ų045.5 Ų45.50%022%0.22CC..THydrogen-bonded Turntrans-66.5-8.8175.4-58.50000113.5V92 I126 D148 I149 Y155 M189 W193 I197V92-V124 HydrophobicContact CG1-CG1 3.89Å; V92-V124 HydrophobicContact CG2-CG1 4.04Å; V124-I126 PolarHBondContact O-N 2.89Å; V124-D148 HydrophobicContact CG1-CB 3.82Å; V124-I149 WeakPolarHBondContact CG2-O 3.15Å; V124-I149 PolarHBondContact N-O 2.87Å; V124-Y155 HydrophobicContact CG2-CD1 3.63Å; V124-Y155 HydrophobicContact CG2-CE1 4.07Å; V124-M189 HydrophobicContact CB-CE 4.37Å; V124-M189 HydrophobicContact CG2-CE 3.68Å; V124-M189 HydrophobicContact CG2-SD 3.9Å; V124-W193 PolarHBondContact O-NE1 2.78Å; V124-I197 HydrophobicContact CB-CD1 3.93Å; V124-I197 HydrophobicContact CG2-CD1 4.32Å
125D94.6Very high96.4Very high31 Ų3140.5 Ų40.517%0.16620%0.197CC..THydrogen-bonded Turntrans-65-17.7168.756.6-70.7000113.4K123 S150 K152 M189K123-D125 WeakPolarHBondContact CA-OD1 3.01Å; K123-D125 PolarHBondContact O-N 3.32Å; K123-D125 VanDerWaalsContact O-N 3.12Å; D125-S150 WeakPolarHBondContact CB-OG 3.29Å; D125-S150 VanDerWaalsContact CG-OG 3.23Å; D125-S150 WeakPolarHBondContact OD1-CB 3.31Å; D125-S150 PolarHBondContact OD1-OG 3.27Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 2.96Å; D125-M189 HydrophobicContact CB-CG 3.74Å; D125-M189 HydrophobicContact CB-SD 4.18Å
126I94.7Very high96.3Very high67 Ų6739.4 Ų39.434%0.34419%0.192SC..  trans-88.3117.1178-55178.2000109.7T93 K123 V124 D128T93-I126 HydrophobicContact CG2-CB 3.74Å; T93-I126 HydrophobicContact CG2-CD1 3.78Å; T93-I126 HydrophobicContact CG2-CG1 4.29Å; T93-I126 HydrophobicContact CG2-CG2 3.83Å; K123-I126 HydrophobicContact CB-CD1 4.11Å; K123-I126 HydrophobicContact CB-CG1 4.48Å; K123-I126 HydrophobicContact CD-CD1 4.33Å; K123-I126 PolarHBondContact O-N 3.22Å; V124-I126 PolarHBondContact O-N 2.89Å; I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 HydrophobicContact CG2-CB 4.48Å; I126-D128 PolarHBondContact O-N 3.42Å
127K92.5Very high96.1Very high138 Ų13838.8 Ų38.860%0.619%0.187SC*.SBendtrans-62.4-31.3-178.2-68.1-170.9174.9-169.60113.7R129 D190K127-R129 PolarHBondContact O-N 3.36Å; K127-D190 IonicContact NZ-OD2 3.58Å
128D94.6Very high96Very high97 Ų9739.4 Ų39.452%0.51919%0.19SC..  trans-76.854.6176.4-169.622.3000112.5I126 K130I126-D128 VanDerWaalsContact C-N 3.29Å; I126-D128 HydrophobicContact CG2-CB 4.48Å; I126-D128 PolarHBondContact O-N 3.42Å; D128-K130 VanDerWaalsContact CG-CE 3.48Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.4Å; D128-K130 IonicContact OD1-NZ 3.53Å; D128-K130 PolarHBondContact OD1-NZ 2.9Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 2.92Å; D128-K130 PolarHBondContact OD2-NZ 2.83Å
129R96.6Very high95.8Very high3 Ų340.5 Ų40.51%0.01120%0.195CC..  trans-66.1117.6177.7178174.6-173.6149.18.4110.5V92 K127 V131 K132 D148 W193V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.17Å; K127-R129 PolarHBondContact O-N 3.36Å; R129-V131 WeakPolarHBondContact CG-O 3.38Å; R129-V131 PolarHBondContact NE-O 2.69Å; R129-K132 HydrophobicContact CG-CD 4.37Å; R129-K132 WeakPolarHBondContact O-CE 3.32Å; R129-K132 PolarHBondContact O-NZ 3.01Å; R129-D148 IonicContact CZ-OD1 3.45Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.88Å; R129-D148 IonicContact NH1-OD2 3.94Å; R129-D148 PolarHBondContact NH1-OD2 2.85Å; R129-D148 IonicContact NH2-OD1 3.97Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.68Å; R129-D148 PolarHBondContact NH2-OD2 3.29Å; R129-D148 VanDerWaalsContact NH2-OD2 3.17Å; R129-W193 HydrophobicContact CB-CH2 4.47Å; R129-W193 HydrophobicContact CB-CZ2 4.35Å
130K97.2Very high95.5Very high83 Ų8344.4 Ų44.436%0.36121%0.21SC..SBendtrans-92.1-29.4-179-57.2-56.3-173.3-170.40114.1V92 T93 R95 D128V92-K130 PolarHBondContact O-N 3.45Å; T93-K130 WeakPolarHBondContact O-CG 3.34Å; R95-K130 HydrophobicContact CG-CB 4Å; R95-K130 PolarHBondContact NE-O 3.32Å; D128-K130 VanDerWaalsContact CG-CE 3.48Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.4Å; D128-K130 IonicContact OD1-NZ 3.53Å; D128-K130 PolarHBondContact OD1-NZ 2.9Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 2.92Å; D128-K130 PolarHBondContact OD2-NZ 2.83Å
131V96.9Very high95.2Very high3 Ų347.3 Ų47.32%0.01822%0.222CC..SBendtrans-100.898.6175.7-173.70000108.2F90 V92 R95 Y98 R129 I136F90-V131 HydrophobicContact CE2-CB 4.22Å; F90-V131 HydrophobicContact CE2-CG1 3.92Å; V92-V131 PolarHBondContact O-N 3.36Å; R95-V131 HydrophobicContact CG-CG2 4.24Å; Y98-V131 HydrophobicContact CD1-CG1 4Å; Y98-V131 HydrophobicContact CD2-CG1 4.35Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; R129-V131 WeakPolarHBondContact CG-O 3.38Å; R129-V131 PolarHBondContact NE-O 2.69Å; V131-I136 HydrophobicContact CG1-CD1 4.04Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å
132K94.7Very high95Very high106 Ų10652.5 Ų52.546%0.46125%0.245SC..  trans-79.4154.2-175.9-59.3-59.1-170.4-172.40111.1R129 K134 S135R129-K132 HydrophobicContact CG-CD 4.37Å; R129-K132 WeakPolarHBondContact O-CE 3.32Å; R129-K132 PolarHBondContact O-NZ 3.01Å; K132-K134 PolarHBondContact O-N 3.27Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K132-S135 PolarHBondContact N-OG 3.18Å; K132-S135 PolarHBondContact O-N 3.37Å; K132-S135 PolarHBondContact O-OG 2.99Å
133A93.9Very high94.8Very high5 Ų559.5 Ų59.54%0.04128%0.282CS..G310 helixtrans-47.6-45179.200000113.3S135 I136 D200 L201 A204A133-S135 PolarHBondContact O-N 2.72Å; A133-I136 PolarHBondContact O-N 3.04Å; A133-D200 HydrophobicContact CB-CB 3.89Å; A133-D200 VanDerWaalsContact CB-O 3.31Å; A133-D200 WeakPolarHBondContact CB-O 3.28Å; A133-L201 HydrophobicContact CB-CD2 3.9Å; A133-L201 HydrophobicContact CB-CG 4.36Å; A133-A204 HydrophobicContact CB-CB 3.88Å
134K92.8Very high94.8Very high137 Ų13757.8 Ų57.860%0.59628%0.275SS*.G310 helixtrans-60.2-26.2178.3-63.9-176.4179.4179.60114.6K132 E203 A204K132-K134 PolarHBondContact O-N 3.27Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-E203 IonicContact NZ-OE2 3.73Å; K134-A204 HydrophobicContact CG-CB 4.21Å
135S93.6Very high94.9Very high56 Ų5660.4 Ų60.439%0.39229%0.288SS..G310 helixtrans-83.4-10.8176.561.30000113.7Y98 K132 A133 V137Y98-S135 VanDerWaalsContact CE1-O 3.28Å; Y98-S135 WeakPolarHBondContact CE1-O 3.36Å; Y98-S135 PolarHBondContact OH-O 2.92Å; K132-S135 PolarHBondContact N-OG 3.18Å; K132-S135 PolarHBondContact O-N 3.37Å; K132-S135 PolarHBondContact O-OG 2.99Å; A133-S135 PolarHBondContact O-N 2.72Å; S135-V137 PolarHBondContact O-N 3.16Å; S135-V137 VanDerWaalsContact O-N 3.15Å
136I95.6Very high95Very high5 Ų559.4 Ų59.43%0.02628%0.282CS..  trans-92.374.4-173.3-56.2166.6000109.4F90 Y98 L119 V131 A133 H139 Y146F90-I136 HydrophobicContact CE2-CD1 4.44Å; F90-I136 HydrophobicContact CZ-CD1 3.89Å; F90-I136 HydrophobicContact CZ-CG1 4.25Å; F90-I136 HydrophobicContact CZ-CG2 4.43Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.33Å; Y98-I136 HydrophobicContact CE2-CG2 3.91Å; Y98-I136 VanDerWaalsContact OH-CA 3.3Å; Y98-I136 WeakPolarHBondContact OH-CA 3.2Å; L119-I136 HydrophobicContact CD2-CG2 4.3Å; V131-I136 HydrophobicContact CG1-CD1 4.04Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å; A133-I136 PolarHBondContact O-N 3.04Å; I136-H139 PolarHBondContact O-CE1 3.17Å; I136-H139 PolarHBondContact O-ND1 3.22Å; I136-Y146 HydrophobicContact CD1-CE1 4.32Å; I136-Y146 HydrophobicContact CD1-CE2 4.36Å; I136-Y146 VanDerWaalsContact CD1-OH 3.31Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.44Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE1 4.48Å; I136-Y146 HydrophobicContact CG2-CE2 3.75Å; I136-Y146 HydrophobicContact CG2-CG 4.34Å
137V95.6Very high95.2Very high17 Ų1758.3 Ų58.310%0.10327%0.274CS..  trans-99.6-16.7-176.7-630000114.2Y98 S135 H139 R140 K141 L209Y98-V137 PolarHBondContact OH-N 3.01Å; S135-V137 PolarHBondContact O-N 3.16Å; S135-V137 VanDerWaalsContact O-N 3.15Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 2.98Å; V137-R140 WeakPolarHBondContact O-CB 3.37Å; V137-R140 PolarHBondContact O-N 2.75Å; V137-K141 PolarHBondContact O-N 3.27Å; V137-L209 HydrophobicContact CB-CD2 3.91Å; V137-L209 HydrophobicContact CG1-CD2 4.1Å
138F96.4Very high95.4Very high21 Ų2151.8 Ų51.89%0.09225%0.245CC..Hα-helixtrans-57.8-39.9-171.8-175.9-99.4000113.4Y98 V101 P102 H105 R140 K141 K142 L144Y98-F138 HydrophobicContact CE2-CB 4.46Å; Y98-F138 WeakPolarHBondContact OH-CB 3.31Å; Y98-F138 PolarHBondContact OH-N 3.34Å; Y98-F138 VanDerWaalsContact OH-N 3.12Å; V101-F138 HydrophobicContact CG1-CD1 3.5Å; V101-F138 VanDerWaalsContact CG1-CD1 3.5Å; V101-F138 HydrophobicContact CG1-CE1 3.71Å; V101-F138 HydrophobicContact CG1-CG 4.14Å; P102-F138 HydrophobicContact CB-CD2 4.34Å; P102-F138 HydrophobicContact CB-CE2 3.71Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.8Å; P102-F138 HydrophobicContact CG-CE2 3.68Å; P102-F138 HydrophobicContact CG-CZ 4.42Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.59Å; H105-F138 AromaticContact CD2-CE1 3.89Å; H105-F138 AromaticContact CG-CE1 3.76Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.94Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.23Å; F138-K141 PolarHBondContact O-N 3.39Å; F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.41Å; F138-K142 HydrophobicContact CE1-CB 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.76Å; F138-L144 HydrophobicContact CD1-CD1 4.01Å; F138-L144 HydrophobicContact CE1-CD1 3.82Å
139H94.5Very high95.6Very high23 Ų2347.2 Ų47.211%0.10622%0.221CC..Hα-helixtrans-61.1-35.4179.572.3-81.3000112.6L119 I136 V137 N143 L144L119-H139 HydrophobicContact CD2-CB 4.09Å; I136-H139 PolarHBondContact O-CE1 3.17Å; I136-H139 PolarHBondContact O-ND1 3.22Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 2.98Å; H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 3.02Å; H139-L144 HydrophobicContact CB-CB 4.08Å; H139-L144 PolarHBondContact O-N 2.97Å
140R92.6Very high95.6Very high83 Ų8347 Ų4731%0.31322%0.22SC..Hα-helixtrans-69.8-44.2176.7-64.1173.465.3-174.55.8110.9V137 F138 K142 N143 A204 T207 L209V137-R140 WeakPolarHBondContact O-CB 3.37Å; V137-R140 PolarHBondContact O-N 2.75Å; F138-R140 VanDerWaalsContact C-N 3.28Å; F138-R140 PolarHBondContact O-N 3.23Å; R140-K142 VanDerWaalsContact C-N 3.25Å; R140-K142 PolarHBondContact O-N 2.89Å; R140-N143 PolarHBondContact O-N 2.91Å; R140-A204 PolarHBondContact NH1-O 3.39Å; R140-T207 VanDerWaalsContact CZ-O 3.3Å; R140-T207 PolarHBondContact NH1-O 3.36Å; R140-T207 PolarHBondContact NH2-O 3.47Å; R140-L209 HydrophobicContact CB-CD1 4.1Å; R140-L209 HydrophobicContact CB-CD2 3.85Å; R140-L209 HydrophobicContact CB-CG 4.45Å; R140-L209 HydrophobicContact CG-CD2 4.38Å
141K92Very high95.4Very high60 Ų6043.2 Ų43.226%0.26120%0.204SC..Hα-helixtrans-62.1-30.7177.7-65.8-172.3174-172.30113.1V137 F138 E215V137-K141 PolarHBondContact O-N 3.27Å; F138-K141 PolarHBondContact O-N 3.39Å; K141-E215 IonicContact NZ-OE1 3.24Å; K141-E215 PolarHBondContact NZ-OE1 3.2Å; K141-E215 IonicContact NZ-OE2 2.85Å; K141-E215 PolarHBondContact NZ-OE2 2.82Å
142K94.7Very high95.1Very high109 Ų10946.1 Ų46.147%0.47422%0.216SC..THydrogen-bonded Turntrans-109.49-177.9-61.1-56.5-177.7-170.80114.5F138 R140 L144F138-K142 HydrophobicContact CD1-CG 4.41Å; F138-K142 HydrophobicContact CD2-CG 4.41Å; F138-K142 HydrophobicContact CE1-CB 4.33Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.84Å; F138-K142 HydrophobicContact CZ-CB 4.48Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.76Å; R140-K142 VanDerWaalsContact C-N 3.25Å; R140-K142 PolarHBondContact O-N 2.89Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 HydrophobicContact CB-CD1 4.04Å; K142-L144 HydrophobicContact CB-CD2 3.9Å; K142-L144 HydrophobicContact CB-CG 3.73Å; K142-L144 WeakPolarHBondContact O-CD2 3.37Å; K142-L144 PolarHBondContact O-N 2.83Å
143N93.8Very high95Very high151 Ų15141.7 Ų41.781%0.80720%0.199SC*.THydrogen-bonded Turntrans52.242.6-177.9-166.531.7000113.8H139 R140H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 3.02Å; R140-N143 PolarHBondContact O-N 2.91Å
144L97.2Very high94.8Very high18 Ų1842.9 Ų42.99%0.09421%0.205CC..  trans-96.6150.2176.9-39.1178.8000109.7I117 F138 H139 K142I117-L144 HydrophobicContact CB-CD2 3.98Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.3Å; I117-L144 HydrophobicContact CG2-CD2 4.25Å; F138-L144 HydrophobicContact CD1-CD1 4.01Å; F138-L144 HydrophobicContact CE1-CD1 3.82Å; H139-L144 HydrophobicContact CB-CB 4.08Å; H139-L144 PolarHBondContact O-N 2.97Å; K142-L144 VanDerWaalsContact C-N 3.27Å; K142-L144 HydrophobicContact CB-CD1 4.04Å; K142-L144 HydrophobicContact CB-CD2 3.9Å; K142-L144 HydrophobicContact CB-CG 3.73Å; K142-L144 WeakPolarHBondContact O-CD2 3.37Å; K142-L144 PolarHBondContact O-N 2.83Å
145Q97.4Very high94.9Very high55 Ų5537.3 Ų37.326%0.25718%0.18SC..EExtended strand (participates in β ladder)trans-76.5138.6167.3-17761.842.300110I117 V118 L119 Y147 W163I117-Q145 PolarHBondContact O-N 2.7Å; V118-Q145 CarbonylContact C-O 3.56Å; V118-Q145 WeakPolarHBondContact CA-O 3.44Å; V118-Q145 HydrophobicContact CG2-CB 4.35Å; L119-Q145 PolarHBondContact N-O 2.95Å; Q145-Y147 HydrophobicContact CG-CD2 4.04Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Q145-W163 HydrophobicContact CB-CD2 3.67Å; Q145-W163 VanDerWaalsContact CB-CE2 3.42Å; Q145-W163 HydrophobicContact CB-CE3 4.05Å; Q145-W163 HydrophobicContact CB-CG 4.14Å; Q145-W163 HydrophobicContact CB-CH2 4.01Å; Q145-W163 HydrophobicContact CB-CZ2 3.62Å; Q145-W163 HydrophobicContact CB-CZ3 4.21Å; Q145-W163 HydrophobicContact CG-CD2 3.93Å; Q145-W163 HydrophobicContact CG-CG 3.82Å
146Y98.2Very high94.9Very high10 Ų1035.5 Ų35.54%0.03917%0.166CC..EExtended strand (participates in β ladder)trans-111.4139.8173.8-179.5-104.2000111.9F90 L119 I136 D148 L201F90-Y146 AromaticContact CE1-CE2 3.71Å; F90-Y146 HydrophobicContact CE1-CE2 3.71Å; F90-Y146 AromaticContact CZ-CE2 3.83Å; F90-Y146 HydrophobicContact CZ-CE2 3.83Å; L119-Y146 HydrophobicContact CB-CD2 4.08Å; L119-Y146 HydrophobicContact CD2-CD2 3.91Å; L119-Y146 HydrophobicContact CD2-CE2 4.37Å; L119-Y146 HydrophobicContact CG-CD2 3.84Å; L119-Y146 HydrophobicContact CG-CE2 4.24Å; L119-Y146 WeakPolarHBondContact O-CA 3.48Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.43Å; I136-Y146 HydrophobicContact CD1-CE1 4.32Å; I136-Y146 HydrophobicContact CD1-CE2 4.36Å; I136-Y146 VanDerWaalsContact CD1-OH 3.31Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.44Å; I136-Y146 HydrophobicContact CG2-CD2 3.92Å; I136-Y146 HydrophobicContact CG2-CE1 4.48Å; I136-Y146 HydrophobicContact CG2-CE2 3.75Å; I136-Y146 HydrophobicContact CG2-CG 4.34Å; Y146-D148 PolarHBondContact OH-OD1 3Å; Y146-L201 HydrophobicContact CD1-CD2 3.97Å; Y146-L201 HydrophobicContact CE1-CD2 3.55Å
147Y98.2Very high94.7Very high45 Ų4535.3 Ų35.318%0.17617%0.165CC..EExtended strand (participates in β ladder)trans-137.2134.1165.5-66.9-64.8000111.6V118 L119 C120 G121 Q145 K159 P160 W163V118-Y147 HydrophobicContact CG1-CD2 3.75Å; V118-Y147 HydrophobicContact CG1-CE2 4.32Å; L119-Y147 PolarHBondContact O-N 3.42Å; C120-Y147 WeakPolarHBondContact CA-O 3.44Å; G121-Y147 PolarHBondContact N-O 3.17Å; Q145-Y147 HydrophobicContact CG-CD2 4.04Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.9Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.85Å; Y147-K159 HydrophobicContact CE1-CG 4.46Å; Y147-K159 HydrophobicContact CE2-CB 3.96Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; Y147-P160 HydrophobicContact CD2-CG 4.17Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å
148D97.9Very high94.5Very high1 Ų136.9 Ų36.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-73.5129.3157.2-90-14.5000108.9V124 R129 Y146 Y155 N156 I197 L201V124-D148 HydrophobicContact CG1-CB 3.82Å; R129-D148 IonicContact CZ-OD1 3.45Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.88Å; R129-D148 IonicContact NH1-OD2 3.94Å; R129-D148 PolarHBondContact NH1-OD2 2.85Å; R129-D148 IonicContact NH2-OD1 3.97Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.68Å; R129-D148 PolarHBondContact NH2-OD2 3.29Å; R129-D148 VanDerWaalsContact NH2-OD2 3.17Å; Y146-D148 PolarHBondContact OH-OD1 3Å; D148-Y155 HydrophobicContact CB-CE1 4.33Å; D148-N156 WeakPolarHBondContact O-CB 3.09Å; D148-N156 PolarHBondContact O-ND2 2.85Å; D148-I197 HydrophobicContact CB-CG2 4.2Å; D148-I197 WeakPolarHBondContact OD2-CG2 3.48Å; D148-L201 HydrophobicContact CB-CD1 4.1Å; D148-L201 WeakPolarHBondContact OD2-CD1 3.4Å
149I97.6Very high94.5Very high0 Ų039.2 Ų39.20%018%0.181CC..  trans-134.5158.3179.669.3168.3000111.4F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160F26-I149 HydrophobicContact CD2-CD1 3.68Å; F26-I149 HydrophobicContact CE2-CD1 3.7Å; M89-I149 HydrophobicContact CE-CD1 3.84Å; C120-I149 HydrophobicContact CB-CD1 3.81Å; C120-I149 HydrophobicContact CB-CG1 4.16Å; G121-I149 PolarHBondContact O-N 3.26Å; N122-I149 CarbonylContact C-O 3.46Å; N122-I149 VanDerWaalsContact CA-O 3.29Å; N122-I149 WeakPolarHBondContact CA-O 3.31Å; N122-I149 HydrophobicContact CB-CD1 4.22Å; N122-I149 HydrophobicContact CB-CG1 3.93Å; N122-I149 PolarHBondContact OD1-O 2.91Å; K123-I149 PolarHBondContact N-O 3.11Å; K123-I149 VanDerWaalsContact N-O 3.17Å; V124-I149 WeakPolarHBondContact CG2-O 3.15Å; V124-I149 PolarHBondContact N-O 2.87Å; I149-Y155 WeakPolarHBondContact CA-O 3.34Å; I149-N156 HydrophobicContact CG2-CB 4.15Å; I149-P160 HydrophobicContact CG2-CG 4.21Å
150S96.4Very high94.7Very high0 Ų038.1 Ų38.10%018%0.176CC..BIsolated β-bridgetrans-137.1110.3164.8165.30000109.9D125 K152 S153 N154 Y155D125-S150 WeakPolarHBondContact CB-OG 3.29Å; D125-S150 VanDerWaalsContact CG-OG 3.23Å; D125-S150 WeakPolarHBondContact OD1-CB 3.31Å; D125-S150 PolarHBondContact OD1-OG 3.27Å; S150-K152 PolarHBondContact O-N 3.19Å; S150-K152 PolarHBondContact OG-N 3.41Å; S150-S153 WeakPolarHBondContact CB-OG 3.48Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact OG-N 2.84Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.77Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 3.19Å; S150-Y155 PolarHBondContact N-O 2.99Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.37Å
151A93Very high94.9Very high3 Ų334.2 Ų34.23%0.02516%0.161CC..THydrogen-bonded Turntrans-60.1-23.6173.400000112.6T25 F26 F35 N122 F157T25-A151 HydrophobicContact CG2-CB 4.14Å; F26-A151 HydrophobicContact CB-CB 4.36Å; F35-A151 WeakPolarHBondContact CD2-O 3.28Å; N122-A151 PolarHBondContact OD1-N 3.32Å; N122-A151 VanDerWaalsContact OD1-N 3.1Å; A151-F157 HydrophobicContact CB-CE2 4.37Å
152K91.6Very high95.2Very high63 Ų6332.7 Ų32.727%0.27416%0.156SC..THydrogen-bonded Turntrans-78.5-36.8-179.5-165.9179.2-168-175.10113.4F35 D125 S150 E186 V187F35-K152 HydrophobicContact CD2-CB 4.21Å; F35-K152 HydrophobicContact CD2-CG 4.33Å; F35-K152 HydrophobicContact CE1-CG 4.19Å; F35-K152 HydrophobicContact CE2-CB 3.57Å; F35-K152 HydrophobicContact CE2-CG 3.84Å; F35-K152 HydrophobicContact CZ-CB 3.88Å; F35-K152 HydrophobicContact CZ-CD 4.22Å; F35-K152 HydrophobicContact CZ-CG 3.76Å; D125-K152 VanDerWaalsContact OD2-CD 3.29Å; D125-K152 WeakPolarHBondContact OD2-CD 2.96Å; S150-K152 PolarHBondContact O-N 3.19Å; S150-K152 PolarHBondContact OG-N 3.41Å; K152-E186 HydrophobicContact CG-CB 4.17Å; K152-E186 PolarHBondContact O-N 3.47Å; K152-V187 HydrophobicContact CD-CB 4.21Å; K152-V187 HydrophobicContact CD-CG2 3.97Å; K152-V187 VanDerWaalsContact CE-CG2 3.43Å; K152-V187 HydrophobicContact CG-CB 4.37Å; K152-V187 HydrophobicContact CG-CG2 4.46Å
153S91.5Very high95.4Very high14 Ų1429.6 Ų29.610%0.09814%0.142CC..THydrogen-bonded Turntrans-105.9-0.6-175.465.20000114.1S150 Y155 P185 V187 M189S150-S153 WeakPolarHBondContact CB-OG 3.48Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact OG-N 2.84Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.77Å; S153-Y155 PolarHBondContact O-N 3.42Å; S153-Y155 WeakPolarHBondContact OG-CB 3.46Å; S153-Y155 PolarHBondContact OG-N 3.1Å; S153-P185 WeakPolarHBondContact O-CB 3.39Å; S153-V187 WeakPolarHBondContact CA-O 3.5Å; S153-V187 WeakPolarHBondContact CB-O 3.47Å; S153-M189 WeakPolarHBondContact OG-CG 3.21Å; S153-M189 PolarHBondContact OG-SD 2.84Å
154N91.4Very high95.6Very high30 Ų3022.4 Ų22.416%0.1610%0.103CC..THydrogen-bonded Turntrans60.318-170.5-52.6-20.7000113.5R29 S150 N156 F157 L182 L183R29-N154 PolarHBondContact NE-OD1 2.89Å; R29-N154 PolarHBondContact NH2-ND2 2.61Å; R29-N154 PolarHBondContact NH2-OD1 3.16Å; R29-N154 VanDerWaalsContact NH2-OD1 3.16Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 3.19Å; N154-N156 PolarHBondContact O-N 3.09Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.38Å; N154-F157 PolarHBondContact O-N 3.3Å; N154-L182 HydrophobicContact CB-CD1 4.31Å; N154-L183 PolarHBondContact ND2-O 2.85Å
155Y94Very high95.6Very high19 Ų1921.6 Ų21.68%0.07510%0.099CC..BIsolated β-bridgetrans-67.6125.7179.4-179.6-106.9000111.3V124 D148 I149 S150 S153 F157 M189 Q194 E198V124-Y155 HydrophobicContact CG2-CD1 3.63Å; V124-Y155 HydrophobicContact CG2-CE1 4.07Å; D148-Y155 HydrophobicContact CB-CE1 4.33Å; I149-Y155 WeakPolarHBondContact CA-O 3.34Å; S150-Y155 PolarHBondContact N-O 2.99Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.37Å; S153-Y155 PolarHBondContact O-N 3.42Å; S153-Y155 WeakPolarHBondContact OG-CB 3.46Å; S153-Y155 PolarHBondContact OG-N 3.1Å; Y155-F157 PolarHBondContact O-N 3.3Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; Y155-M189 WeakPolarHBondContact CB-SD 3.35Å; Y155-M189 HydrophobicContact CD1-CE 4.25Å; Y155-M189 HydrophobicContact CD1-SD 4.04Å; Y155-M189 HydrophobicContact CD2-SD 4.29Å; Y155-M189 HydrophobicContact CG-CE 4.28Å; Y155-M189 HydrophobicContact CG-SD 3.69Å; Y155-Q194 HydrophobicContact CD2-CG 4.19Å; Y155-Q194 HydrophobicContact CE2-CB 4.36Å; Y155-Q194 HydrophobicContact CE2-CG 3.98Å; Y155-E198 WeakPolarHBondContact OH-CG 3.24Å; Y155-E198 PolarHBondContact OH-OE1 3.31Å
156N94Very high95.7Very high19 Ų1922.7 Ų22.710%0.10210%0.1CC..THydrogen-bonded Turntrans52.625.2-178-69-24.4000114.6D148 I149 N154 E158 K159 P160D148-N156 WeakPolarHBondContact O-CB 3.09Å; D148-N156 PolarHBondContact O-ND2 2.85Å; I149-N156 HydrophobicContact CG2-CB 4.15Å; N154-N156 PolarHBondContact O-N 3.09Å; N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.44Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 PolarHBondContact O-N 3.48Å; N156-K159 WeakPolarHBondContact OD1-CD 3.33Å; N156-K159 WeakPolarHBondContact OD1-CE 3.49Å; N156-K159 PolarHBondContact OD1-NZ 3.48Å; N156-P160 WeakPolarHBondContact O-CD 3.2Å
157F90.2Very high95.7Very high1 Ų128 Ų280%0.00412%0.124CC..THydrogen-bonded Turntrans-64.8-37-164.6-169-115.5000113F26 R29 H30 A151 N154 Y155 L182F26-F157 HydrophobicContact CB-CE2 4.49Å; F26-F157 AromaticContact CD2-CD2 3.64Å; F26-F157 HydrophobicContact CD2-CD2 3.64Å; F26-F157 AromaticContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CE2 3.3Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.67Å; F26-F157 HydrophobicContact CE2-CD2 3.67Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.42Å; F26-F157 HydrophobicContact CG-CE2 4.09Å; F26-F157 WeakPolarHBondContact O-CZ 3.1Å; R29-F157 HydrophobicContact CB-CE1 4.28Å; R29-F157 HydrophobicContact CB-CE2 4.08Å; R29-F157 HydrophobicContact CB-CZ 3.45Å; R29-F157 VanDerWaalsContact CB-CZ 3.45Å; R29-F157 HydrophobicContact CG-CE1 3.92Å; R29-F157 HydrophobicContact CG-CE2 3.95Å; R29-F157 HydrophobicContact CG-CZ 3.4Å; H30-F157 HydrophobicContact CB-CE1 4.18Å; H30-F157 HydrophobicContact CB-CZ 4.38Å; H30-F157 AromaticContact CD2-CD1 3.88Å; H30-F157 AromaticContact CD2-CE1 3.48Å; H30-F157 VanDerWaalsContact CD2-CE1 3.48Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.39Å; H30-F157 AromaticContact CE1-CD1 3.27Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.37Å; H30-F157 AromaticContact CE1-CD2 3.81Å; H30-F157 AromaticContact CE1-CE1 3.01Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.44Å; H30-F157 AromaticContact CE1-CE2 3.57Å; H30-F157 AromaticContact CE1-CG 3.65Å; H30-F157 AromaticContact CE1-CZ 3.15Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3.37Å; H30-F157 AromaticContact CG-CE1 3.33Å; H30-F157 AromaticContact CG-CZ 3.64Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.08Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.34Å; H30-F157 AromaticContact ND1-CE2 3.69Å; H30-F157 AromaticContact ND1-CZ 2.96Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.48Å; H30-F157 AromaticContact NE2-CD1 3.31Å; H30-F157 VanDerWaalsContact NE2-CD1 3.31Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.38Å; H30-F157 AromaticContact NE2-CE1 3.3Å; H30-F157 VanDerWaalsContact NE2-CE1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.47Å; H30-F157 AromaticContact NE2-CG 3.97Å; H30-F157 AromaticContact NE2-CZ 3.93Å; H30-F157 PolarHBondContact NE2-O 2.88Å; A151-F157 HydrophobicContact CB-CE2 4.37Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.38Å; N154-F157 PolarHBondContact O-N 3.3Å; Y155-F157 PolarHBondContact O-N 3.3Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.84Å; F157-L182 HydrophobicContact CD1-CD2 4Å; F157-L182 HydrophobicContact CE1-CD1 4.3Å; F157-L182 HydrophobicContact CE1-CD2 3.59Å
158E92.6Very high95.7Very high49 Ų4927.8 Ų27.823%0.22913%0.126CC..THydrogen-bonded Turntrans-83.7-20.2179.771.6-71.4164.900114.1N156 F161 L162 F176N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.44Å; E158-F161 PolarHBondContact O-N 2.96Å; E158-L162 PolarHBondContact O-N 3.17Å; E158-F176 HydrophobicContact CB-CD2 4.05Å; E158-F176 HydrophobicContact CB-CE2 4.05Å; E158-F176 HydrophobicContact CG-CD2 4.41Å
159K96.3Very high95.6Very high70 Ų7030.9 Ų30.930%0.30414%0.144SC..Hα-helixtrans-57.9-42.5-172.8-67.4-169.6177.4168.10113.7Y147 N156 F161 L162 W163Y147-K159 HydrophobicContact CD1-CB 3.96Å; Y147-K159 HydrophobicContact CD1-CD 3.9Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.91Å; Y147-K159 HydrophobicContact CE1-CD 3.85Å; Y147-K159 HydrophobicContact CE1-CG 4.46Å; Y147-K159 HydrophobicContact CE2-CB 3.96Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; N156-K159 HydrophobicContact CB-CD 3.87Å; N156-K159 HydrophobicContact CB-CG 4.21Å; N156-K159 PolarHBondContact O-N 3.48Å; N156-K159 WeakPolarHBondContact OD1-CD 3.33Å; N156-K159 WeakPolarHBondContact OD1-CE 3.49Å; N156-K159 PolarHBondContact OD1-NZ 3.48Å; K159-F161 PolarHBondContact O-N 3.43Å; K159-L162 PolarHBondContact O-N 3.39Å; K159-W163 PolarHBondContact O-N 2.97Å
160P98.1Very high95.6Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-57.1-48.9175.8-26.636.1000112.5F26 V118 C120 Y147 I149 N156 W163 L164F26-P160 HydrophobicContact CZ-CG 4.32Å; V118-P160 HydrophobicContact CB-CB 4.45Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.43Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å; Y147-P160 HydrophobicContact CD2-CG 4.17Å; I149-P160 HydrophobicContact CG2-CG 4.21Å; N156-P160 WeakPolarHBondContact O-CD 3.2Å; P160-W163 PolarHBondContact O-N 2.95Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.48Å; P160-L164 PolarHBondContact O-N 3.23Å
161F97.6Very high95.7Very high1 Ų135.2 Ų35.20%0.00418%0.182CC..Hα-helixtrans-68.9-36.6-178.6-70.7-72.3000112.5F26 H30 L50 F52 F61 V63 E158 K159 L164 A165 F176F26-F161 HydrophobicContact CE1-CD2 4.41Å; F26-F161 AromaticContact CE1-CE2 3.41Å; F26-F161 HydrophobicContact CE1-CE2 3.41Å; F26-F161 VanDerWaalsContact CE1-CE2 3.41Å; F26-F161 AromaticContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CE1-CZ 3.82Å; F26-F161 HydrophobicContact CZ-CD2 4.13Å; F26-F161 AromaticContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CE2 3.52Å; F26-F161 HydrophobicContact CZ-CZ 4.36Å; H30-F161 AromaticContact CE1-CD2 3.76Å; H30-F161 AromaticContact CE1-CE2 3.43Å; H30-F161 VanDerWaalsContact CE1-CE2 3.43Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.03Å; H30-F161 AromaticContact ND1-CE2 3.7Å; H30-F161 AromaticContact NE2-CD2 3.51Å; H30-F161 AromaticContact NE2-CE2 3.6Å; L50-F161 HydrophobicContact CD1-CE1 4.05Å; L50-F161 HydrophobicContact CD1-CE2 4.04Å; L50-F161 HydrophobicContact CD1-CZ 3.53Å; F52-F161 HydrophobicContact CE1-CB 3.98Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.16Å; F52-F161 HydrophobicContact CE2-CB 3.95Å; F52-F161 AromaticContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD1 3.77Å; F52-F161 HydrophobicContact CE2-CD2 4.16Å; F52-F161 HydrophobicContact CE2-CE1 4.29Å; F52-F161 AromaticContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CE2-CG 3.7Å; F52-F161 HydrophobicContact CZ-CB 3.65Å; F52-F161 AromaticContact CZ-CD1 3.93Å; F52-F161 HydrophobicContact CZ-CD1 3.93Å; F52-F161 AromaticContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CD2 3.45Å; F52-F161 VanDerWaalsContact CZ-CD2 3.45Å; F52-F161 HydrophobicContact CZ-CE1 4.45Å; F52-F161 HydrophobicContact CZ-CE2 4.01Å; F52-F161 AromaticContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CG 3.39Å; F52-F161 HydrophobicContact CZ-CZ 4.49Å; F61-F161 HydrophobicContact CB-CD1 4.43Å; F61-F161 HydrophobicContact CB-CE1 4.21Å; F61-F161 HydrophobicContact CD1-CD1 4.47Å; F61-F161 AromaticContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CD1 3.63Å; F61-F161 HydrophobicContact CD2-CE1 4.25Å; F61-F161 HydrophobicContact CE2-CB 4.26Å; F61-F161 AromaticContact CE2-CD1 3.9Å; F61-F161 HydrophobicContact CE2-CD1 3.9Å; F61-F161 AromaticContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CD1 3.93Å; F61-F161 HydrophobicContact CG-CE1 4.16Å; F61-F161 HydrophobicContact CZ-CD1 4.42Å; V63-F161 HydrophobicContact CG2-CE1 3.88Å; V63-F161 HydrophobicContact CG2-CZ 4.03Å; E158-F161 PolarHBondContact O-N 2.96Å; K159-F161 PolarHBondContact O-N 3.43Å; F161-L164 PolarHBondContact O-N 3.1Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.3Å; F161-F176 HydrophobicContact CB-CE2 4.26Å; F161-F176 HydrophobicContact CB-CZ 4Å
162L97.7Very high95.9Very high29 Ų2939.5 Ų39.515%0.15221%0.21CC..Hα-helixtrans-64-45.7176.6-178.259.7000111.5E158 K159 A165 R166 L174 F176E158-L162 PolarHBondContact O-N 3.17Å; K159-L162 PolarHBondContact O-N 3.39Å; L162-A165 PolarHBondContact O-N 3.35Å; L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.09Å; L162-L174 HydrophobicContact CD1-CD2 3.69Å; L162-F176 HydrophobicContact CB-CD2 4.24Å; L162-F176 HydrophobicContact CB-CE2 3.74Å; L162-F176 HydrophobicContact CB-CZ 3.92Å; L162-F176 HydrophobicContact CD1-CD1 3.95Å; L162-F176 HydrophobicContact CD1-CD2 4.36Å; L162-F176 HydrophobicContact CD1-CE1 3.98Å; L162-F176 HydrophobicContact CD1-CE2 4.38Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.21Å
163W98.5Very high96.2Very high44 Ų4441.8 Ų41.817%0.16723%0.225CC..Hα-helixtrans-63.7-43.5177.4-174.597.6000111.7P116 V118 Q145 Y147 K159 P160 R166 K167P116-W163 HydrophobicContact CB-CH2 4.3Å; P116-W163 HydrophobicContact CB-CZ3 3.79Å; V118-W163 HydrophobicContact CG2-CD2 4.26Å; V118-W163 HydrophobicContact CG2-CE3 3.45Å; V118-W163 VanDerWaalsContact CG2-CE3 3.45Å; V118-W163 HydrophobicContact CG2-CZ3 3.89Å; Q145-W163 HydrophobicContact CB-CD2 3.67Å; Q145-W163 VanDerWaalsContact CB-CE2 3.42Å; Q145-W163 HydrophobicContact CB-CE3 4.05Å; Q145-W163 HydrophobicContact CB-CG 4.14Å; Q145-W163 HydrophobicContact CB-CH2 4.01Å; Q145-W163 HydrophobicContact CB-CZ2 3.62Å; Q145-W163 HydrophobicContact CB-CZ3 4.21Å; Q145-W163 HydrophobicContact CG-CD2 3.93Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å; K159-W163 PolarHBondContact O-N 2.97Å; P160-W163 PolarHBondContact O-N 2.95Å; W163-R166 PolarHBondContact O-N 3.29Å; W163-K167 HydrophobicContact CD2-CG 4.02Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.17Å; W163-K167 HydrophobicContact CZ2-CG 3.85Å; W163-K167 HydrophobicContact CZ3-CG 3.89Å; W163-K167 WeakPolarHBondContact O-CG 3.16Å; W163-K167 PolarHBondContact O-N 2.87Å
164L98.5Very high96.5Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-60.4-46.1175.1-73.4177.2000111.7F61 C85 V87 P116 V118 P160 F161 R166 K167 L168F61-L164 HydrophobicContact CE1-CB 4.15Å; F61-L164 HydrophobicContact CZ-CB 4.05Å; C85-L164 HydrophobicContact CB-CD1 4.22Å; C85-L164 HydrophobicContact CB-CD2 3.67Å; C85-L164 HydrophobicContact CB-CG 4.4Å; V87-L164 HydrophobicContact CG2-CD1 3.91Å; P116-L164 HydrophobicContact CB-CD2 3.82Å; P116-L164 WeakPolarHBondContact O-CD2 3.44Å; V118-L164 HydrophobicContact CG2-CD1 4.28Å; V118-L164 HydrophobicContact CG2-CD2 3.8Å; V118-L164 HydrophobicContact CG2-CG 3.71Å; P160-L164 WeakPolarHBondContact O-CB 3.36Å; P160-L164 VanDerWaalsContact O-CG 3.28Å; P160-L164 WeakPolarHBondContact O-CG 3.48Å; P160-L164 PolarHBondContact O-N 3.23Å; F161-L164 PolarHBondContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 3.03Å; L164-K167 PolarHBondContact O-N 3.33Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 WeakPolarHBondContact O-CD1 3.19Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.23Å; L164-L168 PolarHBondContact O-N 3.36Å
165A98Very high96.7Very high0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-59.8-45.517800000111.5I59 F61 F161 L162 K167 L168 V169 L174I59-A165 HydrophobicContact CD1-CB 4.25Å; F61-A165 HydrophobicContact CE2-CB 4.37Å; F61-A165 HydrophobicContact CZ-CB 4.1Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.3Å; L162-A165 PolarHBondContact O-N 3.35Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 2.74Å; A165-L168 PolarHBondContact O-N 3.12Å; A165-V169 VanDerWaalsContact O-CB 3.3Å; A165-V169 WeakPolarHBondContact O-CB 3.48Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-L174 HydrophobicContact CB-CD1 4.35Å; A165-L174 HydrophobicContact CB-CD2 3.88Å
166R98.4Very high96.7Very high78 Ų7846 Ų4629%0.29424%0.242SC..Hα-helixtrans-57.2-43.5175.1-73.3170.7174.6177-4.9112.2L162 W163 L164 G170 D171 P172 L174L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.09Å; W163-R166 PolarHBondContact O-N 3.29Å; L164-R166 PolarHBondContact O-N 3.03Å; R166-G170 WeakPolarHBondContact O-CA 3.39Å; R166-G170 PolarHBondContact O-N 3.16Å; R166-D171 WeakPolarHBondContact CG-O 3.32Å; R166-D171 PolarHBondContact O-N 2.86Å; R166-P172 PolarHBondContact NE-O 2.74Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.49Å; R166-L174 VanDerWaalsContact CZ-O 3.3Å; R166-L174 PolarHBondContact NE-O 2.87Å; R166-L174 PolarHBondContact NH2-O 3.46Å
167K98.2Very high96.7Very high122 Ų12249.8 Ų49.853%0.5327%0.266SS..Hα-helixtrans-69.6-41.6179.3-71.9-67.9-177.3179.70113.1P116 W163 L164 A165P116-K167 HydrophobicContact CB-CB 3.9Å; P116-K167 HydrophobicContact CB-CG 4.4Å; P116-K167 HydrophobicContact CG-CB 3.8Å; W163-K167 HydrophobicContact CD2-CG 4.02Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.17Å; W163-K167 HydrophobicContact CZ2-CG 3.85Å; W163-K167 HydrophobicContact CZ3-CG 3.89Å; W163-K167 WeakPolarHBondContact O-CG 3.16Å; W163-K167 PolarHBondContact O-N 2.87Å; L164-K167 PolarHBondContact O-N 3.33Å; A165-K167 VanDerWaalsContact C-N 3.31Å; A165-K167 PolarHBondContact O-N 2.74Å
168L97.7Very high96.2Very high41 Ų4152 Ų5222%0.21528%0.284CS..Hα-helixtrans-73-37.7-178.4-70.7165.4000112.8F11 F61 Q84 C85 P116 L164 A165F11-L168 HydrophobicContact CB-CD1 4.01Å; F11-L168 HydrophobicContact CD1-CB 4.21Å; F11-L168 HydrophobicContact CD1-CD1 3.93Å; F11-L168 HydrophobicContact CD1-CD2 4.04Å; F11-L168 HydrophobicContact CD1-CG 4.3Å; F11-L168 HydrophobicContact CD2-CD1 4.12Å; F11-L168 HydrophobicContact CE1-CB 3.9Å; F11-L168 HydrophobicContact CE1-CD1 4.44Å; F11-L168 HydrophobicContact CE1-CD2 4.31Å; F11-L168 HydrophobicContact CE1-CG 4.45Å; F11-L168 HydrophobicContact CE2-CB 4.38Å; F11-L168 HydrophobicContact CG-CD1 3.75Å; F11-L168 HydrophobicContact CZ-CB 3.99Å; F61-L168 HydrophobicContact CE1-CD1 3.59Å; F61-L168 HydrophobicContact CZ-CD1 4.19Å; Q84-L168 HydrophobicContact CB-CD2 4.31Å; Q84-L168 WeakPolarHBondContact O-CD2 3.48Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å; P116-L168 HydrophobicContact CG-CD2 4.31Å; L164-L168 WeakPolarHBondContact O-CB 3.25Å; L164-L168 WeakPolarHBondContact O-CD1 3.19Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.23Å; L164-L168 PolarHBondContact O-N 3.36Å; A165-L168 PolarHBondContact O-N 3.12Å
169V97Very high95.1Very high66 Ų6656.4 Ų56.440%0.431%0.307SS..Hα-helixtrans-81.7-25.1177.8176.80000111.7I59 A165 D171 L174I59-V169 HydrophobicContact CD1-CG2 3.53Å; A165-V169 VanDerWaalsContact O-CB 3.3Å; A165-V169 WeakPolarHBondContact O-CB 3.48Å; A165-V169 VanDerWaalsContact O-CG2 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.15Å; V169-D171 VanDerWaalsContact C-N 3.33Å; V169-D171 HydrophobicContact CG1-CB 4.12Å; V169-L174 HydrophobicContact CB-CD1 4.08Å; V169-L174 HydrophobicContact CG1-CD1 4.19Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å
170G97.5Very high93.7Very high63 Ų6354.6 Ų54.665%0.64930%0.302SS*.THydrogen-bonded Turntrans77.317.3-17500000113.8R166R166-G170 WeakPolarHBondContact O-CA 3.39Å; R166-G170 PolarHBondContact O-N 3.16Å
171D97.7Very high92.2Very high28 Ų2859.1 Ų59.115%0.1534%0.34CS..  trans-113.5106176.9-173.6-4.6000110.6R56 R166 V169 N173 L174R56-D171 IonicContact CZ-OD2 3.33Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 2.68Å; R56-D171 PolarHBondContact NE-OD2 3.19Å; R56-D171 IonicContact NH2-OD2 2.83Å; R56-D171 PolarHBondContact NH2-OD2 3.36Å; R166-D171 WeakPolarHBondContact CG-O 3.32Å; R166-D171 PolarHBondContact O-N 2.86Å; V169-D171 VanDerWaalsContact C-N 3.33Å; V169-D171 HydrophobicContact CG1-CB 4.12Å; D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 WeakPolarHBondContact OD1-CA 3.47Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 3.06Å; D171-L174 HydrophobicContact CB-CB 4.34Å; D171-L174 WeakPolarHBondContact O-CB 3.1Å; D171-L174 PolarHBondContact O-N 3.38Å
172P97.2Very high90.9Very high93 Ų9361.1 Ų61.160%0.60435%0.35SS*.THydrogen-bonded Turntrans-66.9-19.4176.827.9-34.2000113.4R166 L174R166-P172 PolarHBondContact NE-O 2.74Å; P172-L174 VanDerWaalsContact C-N 3.3Å
173N97.5Very high89.9Confident110 Ų11063.8 Ų63.859%0.58836%0.364SS*.THydrogen-bonded Turntrans-90.67.9178.6-54.2-56.3000112.6N55 D171 E175N55-N173 PolarHBondContact ND2-O 3.48Å; D171-N173 PolarHBondContact O-N 2.99Å; D171-N173 WeakPolarHBondContact OD1-CA 3.47Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 3.06Å; N173-E175 PolarHBondContact O-N 2.81Å
174L97.5Very high88.9Confident0 Ų066.8 Ų66.80%039%0.389CS..  trans-64.2132.2172.8-174.5153.1000109.6T54 N55 I59 L162 A165 R166 V169 D171 P172 F176T54-L174 HydrophobicContact CG2-CD1 4.29Å; T54-L174 HydrophobicContact CG2-CD2 3.85Å; T54-L174 HydrophobicContact CG2-CG 4.21Å; N55-L174 WeakPolarHBondContact OD1-CA 3.45Å; I59-L174 HydrophobicContact CD1-CD1 3.75Å; L162-L174 HydrophobicContact CD1-CD2 3.69Å; A165-L174 HydrophobicContact CB-CD1 4.35Å; A165-L174 HydrophobicContact CB-CD2 3.88Å; R166-L174 HydrophobicContact CG-CB 3.94Å; R166-L174 HydrophobicContact CG-CD2 4.49Å; R166-L174 VanDerWaalsContact CZ-O 3.3Å; R166-L174 PolarHBondContact NE-O 2.87Å; R166-L174 PolarHBondContact NH2-O 3.46Å; V169-L174 HydrophobicContact CB-CD1 4.08Å; V169-L174 HydrophobicContact CG1-CD1 4.19Å; V169-L174 HydrophobicContact CG2-CD1 3.89Å; D171-L174 HydrophobicContact CB-CB 4.34Å; D171-L174 WeakPolarHBondContact O-CB 3.1Å; D171-L174 PolarHBondContact O-N 3.38Å; P172-L174 VanDerWaalsContact C-N 3.3Å; L174-F176 HydrophobicContact CD2-CD1 4.49Å; L174-F176 HydrophobicContact CD2-CE1 4.36Å
175E96.3Very high88Confident112 Ų11269 Ų6952%0.52340%0.403SS..  trans-135.2147.7179.7-68.4-176.117000110.4T54 N55 N173T54-E175 CarbonylContact C-O 3.47Å; T54-E175 WeakPolarHBondContact CA-O 3.18Å; T54-E175 WeakPolarHBondContact CB-O 3.16Å; N55-E175 PolarHBondContact N-O 3.44Å; N55-E175 PolarHBondContact OD1-N 2.83Å; N173-E175 PolarHBondContact O-N 2.81Å
176F94.6Very high87Confident40 Ų4072.7 Ų72.718%0.17542%0.421CS..EExtended strand (participates in β ladder)trans-78.4123.6169.5-64.6-22.6000109.8F52 H53 T54 E158 F161 L162 L174F52-F176 HydrophobicContact CB-CD1 4.05Å; F52-F176 HydrophobicContact CB-CE1 3.59Å; F52-F176 HydrophobicContact CB-CZ 3.88Å; F52-F176 HydrophobicContact CD1-CD2 4.07Å; F52-F176 HydrophobicContact CD1-CE1 4.07Å; F52-F176 AromaticContact CD1-CE2 3.5Å; F52-F176 HydrophobicContact CD1-CE2 3.5Å; F52-F176 AromaticContact CD1-CZ 3.5Å; F52-F176 HydrophobicContact CD1-CZ 3.5Å; F52-F176 VanDerWaalsContact CD1-CZ 3.5Å; F52-F176 AromaticContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CE2 3.96Å; F52-F176 HydrophobicContact CE1-CZ 4.17Å; F52-F176 AromaticContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE1 4Å; F52-F176 HydrophobicContact CG-CE2 4.22Å; F52-F176 AromaticContact CG-CZ 3.73Å; F52-F176 HydrophobicContact CG-CZ 3.73Å; H53-F176 CarbonylContact O-C 3.56Å; H53-F176 WeakPolarHBondContact O-CA 3.4Å; T54-F176 HydrophobicContact CG2-CD1 3.98Å; T54-F176 HydrophobicContact CG2-CE1 4.12Å; E158-F176 HydrophobicContact CB-CD2 4.05Å; E158-F176 HydrophobicContact CB-CE2 4.05Å; E158-F176 HydrophobicContact CG-CD2 4.41Å; F161-F176 HydrophobicContact CB-CE2 4.26Å; F161-F176 HydrophobicContact CB-CZ 4Å; L162-F176 HydrophobicContact CB-CD2 4.24Å; L162-F176 HydrophobicContact CB-CE2 3.74Å; L162-F176 HydrophobicContact CB-CZ 3.92Å; L162-F176 HydrophobicContact CD1-CD1 3.95Å; L162-F176 HydrophobicContact CD1-CD2 4.36Å; L162-F176 HydrophobicContact CD1-CE1 3.98Å; L162-F176 HydrophobicContact CD1-CE2 4.38Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.21Å; L174-F176 HydrophobicContact CD2-CD1 4.49Å; L174-F176 HydrophobicContact CD2-CE1 4.36Å
177V92.8Very high86.2Confident98 Ų9871.5 Ų71.559%0.59442%0.422SS*.EExtended strand (participates in β ladder)trans-93.7-15.1-177.3-65.60000113.1H53 N55H53-V177 HydrophobicContact CB-CG2 3.97Å; H53-V177 WeakPolarHBondContact O-CG2 3.32Å; H53-V177 PolarHBondContact O-N 3.33Å; N55-V177 HydrophobicContact CB-CG1 3.88Å
178A81.2Confident85.5Confident47 Ų4774.6 Ų74.639%0.38844%0.436SS..EExtended strand (participates in β ladder)trans-139.2132.8171.700000108.5H53H53-A178 HydrophobicContact CB-CB 4.36Å
179M69.4Low85Confident142 Ų14273.3 Ų73.370%0.743%0.429SS*.  trans-69.4140.6166.7-74.2-170.9157.700108.6
180P66.2Low84.7Confident32 Ų3273.5 Ų73.521%0.20843%0.427CS..  trans-49.4148162.9-22.332.4000109.3F52 L182F52-P180 HydrophobicContact CD1-CG 4.24Å; F52-P180 HydrophobicContact CE1-CG 4.08Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.22Å
181A67Low84.4Confident96 Ų9678.6 Ų78.679%0.79343%0.432SS*.  trans-67.576.5178.100000110.5
182L70.8Confident84.2Confident43 Ų4383.3 Ų83.323%0.22546%0.457CS..PPolyproline II helixtrans-77.4130.4177.4-61.7176.5000108.8R29 N154 F157 P180R29-L182 WeakPolarHBondContact O-CD2 3.21Å; N154-L182 HydrophobicContact CB-CD1 4.31Å; F157-L182 HydrophobicContact CD1-CD1 3.84Å; F157-L182 HydrophobicContact CD1-CD2 4Å; F157-L182 HydrophobicContact CE1-CD1 4.3Å; F157-L182 HydrophobicContact CE1-CD2 3.59Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.22Å
183L75.6Confident84Confident85 Ų8580.6 Ų80.645%0.44544%0.435SS..PPolyproline II helixtrans-64.7156166.5-61.1176.7000109.4R29 G33 E34 N154R29-L183 PolarHBondContact NH2-O 3.2Å; G33-L183 VanDerWaalsContact O-CB 3.23Å; G33-L183 WeakPolarHBondContact O-CB 3.44Å; G33-L183 PolarHBondContact O-N 2.94Å; E34-L183 HydrophobicContact CB-CD1 4.48Å; E34-L183 HydrophobicContact CG-CD1 3.68Å; N154-L183 PolarHBondContact ND2-O 2.85Å
184P78Confident83.8Confident106 Ų10678 Ų7869%0.68842%0.419SS*.PPolyproline II helixtrans-49.3146.3175.3-27.935.2000112.1R29R29-P184 PolarHBondContact NH2-O 3.28Å
185P79.1Confident83.6Confident46 Ų4680 Ų8030%0.29944%0.436SS..PPolyproline II helixtrans-60139.9177.426.5-34.6000110.9R29 S153 V187 K188R29-P185 VanDerWaalsContact NH2-CA 3.33Å; S153-P185 WeakPolarHBondContact O-CB 3.39Å; P185-V187 PolarHBondContact O-N 3.24Å; P185-K188 HydrophobicContact CG-CG 4.33Å
186E77.9Confident83.6Confident78 Ų7877.6 Ų77.636%0.36442%0.424SS..SBendtrans-66.6-30.2173.9-67.9-154.9158.300111.9F35 K37 K152F35-E186 HydrophobicContact CB-CG 3.79Å; F35-E186 HydrophobicContact CD1-CG 3.98Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.36Å; F35-E186 HydrophobicContact CG-CG 4.04Å; K37-E186 WeakPolarHBondContact CE-OE1 3.34Å; K37-E186 WeakPolarHBondContact CE-OE2 3.32Å; K37-E186 IonicContact NZ-OE1 3.71Å; K152-E186 HydrophobicContact CG-CB 4.17Å; K152-E186 PolarHBondContact O-N 3.47Å
187V81.1Confident83.5Confident54 Ų5475.7 Ų75.733%0.32742%0.416SS..SBendtrans-134.3127176.7171.90000107.8K152 S153 P185 M189K152-V187 HydrophobicContact CD-CB 4.21Å; K152-V187 HydrophobicContact CD-CG2 3.97Å; K152-V187 VanDerWaalsContact CE-CG2 3.43Å; K152-V187 HydrophobicContact CG-CB 4.37Å; K152-V187 HydrophobicContact CG-CG2 4.46Å; S153-V187 WeakPolarHBondContact CA-O 3.5Å; S153-V187 WeakPolarHBondContact CB-O 3.47Å; P185-V187 PolarHBondContact O-N 3.24Å; V187-M189 PolarHBondContact O-N 3.32Å
188K84.4Confident83.5Confident186 Ų18675.1 Ų75.181%0.80941%0.407SS*.PPolyproline II helixtrans-76.1123.1166.7-66.8-176.6-179.3179.30107.9P185 D190P185-K188 HydrophobicContact CG-CG 4.33Å; K188-D190 PolarHBondContact O-N 2.96Å
189M86.2Confident84.2Confident14 Ų1479.3 Ų79.37%0.06941%0.412CS..PPolyproline II helixtrans-65.2131.8170-85.6-177.670.700109.5V124 D125 S153 Y155 V187 K191 Q194 I197V124-M189 HydrophobicContact CB-CE 4.37Å; V124-M189 HydrophobicContact CG2-CE 3.68Å; V124-M189 HydrophobicContact CG2-SD 3.9Å; D125-M189 HydrophobicContact CB-CG 3.74Å; D125-M189 HydrophobicContact CB-SD 4.18Å; S153-M189 WeakPolarHBondContact OG-CG 3.21Å; S153-M189 PolarHBondContact OG-SD 2.84Å; Y155-M189 WeakPolarHBondContact CB-SD 3.35Å; Y155-M189 HydrophobicContact CD1-CE 4.25Å; Y155-M189 HydrophobicContact CD1-SD 4.04Å; Y155-M189 HydrophobicContact CD2-SD 4.29Å; Y155-M189 HydrophobicContact CG-CE 4.28Å; Y155-M189 HydrophobicContact CG-SD 3.69Å; V187-M189 PolarHBondContact O-N 3.32Å; M189-K191 PolarHBondContact O-N 3.07Å; M189-Q194 HydrophobicContact CB-CG 3.84Å; M189-Q194 VanDerWaalsContact CB-NE2 3.3Å; M189-Q194 HydrophobicContact CE-CG 3.83Å; M189-Q194 PolarHBondContact O-NE2 3.31Å; M189-I197 HydrophobicContact CE-CD1 3.72Å
190D90Very high85.4Confident70 Ų7074.3 Ų74.337%0.37439%0.389SS..PPolyproline II helixtrans-55.5132.8173.5173.554000110.9K127 K188 W193 Q194K127-D190 IonicContact NZ-OD2 3.58Å; K188-D190 PolarHBondContact O-N 2.96Å; D190-W193 HydrophobicContact CB-CB 3.85Å; D190-W193 WeakPolarHBondContact O-CB 3Å; D190-W193 PolarHBondContact O-N 2.95Å; D190-W193 WeakPolarHBondContact OD2-CB 3.31Å; D190-W193 PolarHBondContact OD2-N 2.86Å; D190-W193 VanDerWaalsContact OD2-N 3.07Å; D190-Q194 WeakPolarHBondContact O-CG 3.29Å; D190-Q194 PolarHBondContact O-N 3.3Å
191K91.4Very high86.6Confident170 Ų17074.1 Ų74.174%0.73939%0.386SS*.Hα-helixtrans-68.8-38.3-173.2-71.2-171.6178.5-177.60111.8M189 W193 Q194 A195M189-K191 PolarHBondContact O-N 3.07Å; K191-W193 VanDerWaalsContact C-N 3.28Å; K191-W193 PolarHBondContact O-N 2.96Å; K191-Q194 PolarHBondContact O-N 3.45Å; K191-A195 PolarHBondContact O-N 2.84Å
192D94.1Very high87.8Confident127 Ų12775.5 Ų75.568%0.67938%0.376SS*.Hα-helixtrans-65.3-38.7177-63.7-19.8000110.3A195 Q196D192-A195 PolarHBondContact O-N 2.81Å; D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.19Å
193W93.8Very high88.9Confident37 Ų3778.1 Ų78.114%0.1439%0.387CS..Hα-helixtrans-64.7-42.6172.5-177.2-125.7000113.6V124 R129 D190 K191 Q196 I197V124-W193 PolarHBondContact O-NE1 2.78Å; R129-W193 HydrophobicContact CB-CH2 4.47Å; R129-W193 HydrophobicContact CB-CZ2 4.35Å; D190-W193 HydrophobicContact CB-CB 3.85Å; D190-W193 WeakPolarHBondContact O-CB 3Å; D190-W193 PolarHBondContact O-N 2.95Å; D190-W193 WeakPolarHBondContact OD2-CB 3.31Å; D190-W193 PolarHBondContact OD2-N 2.86Å; D190-W193 VanDerWaalsContact OD2-N 3.07Å; K191-W193 VanDerWaalsContact C-N 3.28Å; K191-W193 PolarHBondContact O-N 2.96Å; W193-Q196 HydrophobicContact CE3-CB 4.11Å; W193-Q196 HydrophobicContact CE3-CG 4.36Å; W193-Q196 HydrophobicContact CZ3-CB 4.39Å; W193-Q196 HydrophobicContact CZ3-CG 4.17Å; W193-Q196 PolarHBondContact O-N 3.07Å; W193-I197 HydrophobicContact CD2-CD1 4Å; W193-I197 HydrophobicContact CD2-CG1 4.2Å; W193-I197 VanDerWaalsContact CE2-CD1 3.44Å; W193-I197 HydrophobicContact CG-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CG1 4.22Å; W193-I197 HydrophobicContact CZ2-CD1 3.81Å; W193-I197 HydrophobicContact CZ2-CG1 3.87Å; W193-I197 VanDerWaalsContact NE1-CD1 3.32Å; W193-I197 WeakPolarHBondContact O-CG1 3.35Å; W193-I197 PolarHBondContact O-N 3.17Å
194Q92.6Very high89.6Confident56 Ų5674.7 Ų74.726%0.26237%0.371SS..Hα-helixtrans-58.9-48.7173.8-71.7177.648.500111Y155 M189 D190 K191 Q196 I197 E198Y155-Q194 HydrophobicContact CD2-CG 4.19Å; Y155-Q194 HydrophobicContact CE2-CB 4.36Å; Y155-Q194 HydrophobicContact CE2-CG 3.98Å; M189-Q194 HydrophobicContact CB-CG 3.84Å; M189-Q194 VanDerWaalsContact CB-NE2 3.3Å; M189-Q194 HydrophobicContact CE-CG 3.83Å; M189-Q194 PolarHBondContact O-NE2 3.31Å; D190-Q194 WeakPolarHBondContact O-CG 3.29Å; D190-Q194 PolarHBondContact O-N 3.3Å; K191-Q194 PolarHBondContact O-N 3.45Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å; Q194-Q196 PolarHBondContact O-N 3.12Å; Q194-I197 PolarHBondContact O-N 2.62Å; Q194-E198 WeakPolarHBondContact O-CG 3.26Å; Q194-E198 PolarHBondContact O-N 2.68Å
195A94Very high90.1Very high42 Ų4275 Ų7535%0.34736%0.363SS..Hα-helixtrans-61.1-37.8176.900000112.4K191 D192 E198 R199K191-A195 PolarHBondContact O-N 2.84Å; D192-A195 PolarHBondContact O-N 2.81Å; A195-E198 PolarHBondContact O-N 2.81Å; A195-R199 WeakPolarHBondContact O-CG 3.27Å; A195-R199 PolarHBondContact O-N 3.42Å
196Q94.7Very high90.5Very high60 Ų6077.2 Ų77.228%0.2839%0.385SS..Hα-helixtrans-63.2-46.3174.1-173.761.645.500111.8D192 W193 Q194 E198 R199 D200D192-Q196 WeakPolarHBondContact O-CB 3.39Å; D192-Q196 PolarHBondContact O-N 3.19Å; W193-Q196 HydrophobicContact CE3-CB 4.11Å; W193-Q196 HydrophobicContact CE3-CG 4.36Å; W193-Q196 HydrophobicContact CZ3-CB 4.39Å; W193-Q196 HydrophobicContact CZ3-CG 4.17Å; W193-Q196 PolarHBondContact O-N 3.07Å; Q194-Q196 VanDerWaalsContact C-N 3.31Å; Q194-Q196 PolarHBondContact O-N 3.12Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.78Å; Q196-R199 PolarHBondContact O-N 2.95Å; Q196-D200 PolarHBondContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.39Å; Q196-D200 VanDerWaalsContact O-CG 3.28Å; Q196-D200 PolarHBondContact O-N 2.85Å
197I93.4Very high90.9Very high0 Ų077 Ų770%039%0.389CS..Hα-helixtrans-59.3-45.5178-73.1163.8000111.1V124 D148 M189 W193 Q194 D200 L201V124-I197 HydrophobicContact CB-CD1 3.93Å; V124-I197 HydrophobicContact CG2-CD1 4.32Å; D148-I197 HydrophobicContact CB-CG2 4.2Å; D148-I197 WeakPolarHBondContact OD2-CG2 3.48Å; M189-I197 HydrophobicContact CE-CD1 3.72Å; W193-I197 HydrophobicContact CD2-CD1 4Å; W193-I197 HydrophobicContact CD2-CG1 4.2Å; W193-I197 VanDerWaalsContact CE2-CD1 3.44Å; W193-I197 HydrophobicContact CG-CD1 4.2Å; W193-I197 HydrophobicContact CH2-CG1 4.22Å; W193-I197 HydrophobicContact CZ2-CD1 3.81Å; W193-I197 HydrophobicContact CZ2-CG1 3.87Å; W193-I197 VanDerWaalsContact NE1-CD1 3.32Å; W193-I197 WeakPolarHBondContact O-CG1 3.35Å; W193-I197 PolarHBondContact O-N 3.17Å; Q194-I197 PolarHBondContact O-N 2.62Å; I197-D200 PolarHBondContact O-N 2.97Å; I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 3.29Å
198E93.3Very high91Very high87 Ų8778.3 Ų78.341%0.40741%0.406SS..Hα-helixtrans-63.3-42.8179.3-70.9179.6168.200112Y155 Q194 A195 Q196 L201 Q202Y155-E198 WeakPolarHBondContact OH-CG 3.24Å; Y155-E198 PolarHBondContact OH-OE1 3.31Å; Q194-E198 WeakPolarHBondContact O-CG 3.26Å; Q194-E198 PolarHBondContact O-N 2.68Å; A195-E198 PolarHBondContact O-N 2.81Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.78Å; E198-L201 PolarHBondContact O-N 2.87Å; E198-Q202 WeakPolarHBondContact O-CG 3.2Å; E198-Q202 PolarHBondContact O-N 3.05Å
199R95.3Very high90.7Very high134 Ų13472.5 Ų72.551%0.50638%0.383SS..Hα-helixtrans-61.2-48.2173.9-73.4-172-61.6-173.81.3112A195 Q196 L201 Q202 E203A195-R199 WeakPolarHBondContact O-CG 3.27Å; A195-R199 PolarHBondContact O-N 3.42Å; Q196-R199 PolarHBondContact O-N 2.95Å; R199-L201 PolarHBondContact O-N 2.62Å; R199-Q202 PolarHBondContact O-N 3.45Å; R199-Q202 VanDerWaalsContact O-N 3.15Å; R199-E203 WeakPolarHBondContact O-CG 3.12Å; R199-E203 PolarHBondContact O-N 3.22Å
200D93.8Very high90.1Very high37 Ų3774.1 Ų74.120%0.19840%0.395CS..Hα-helixtrans-57.9-38.6178.8-74.2-2.2000111.7A133 Q196 I197 A204A133-D200 HydrophobicContact CB-CB 3.89Å; A133-D200 VanDerWaalsContact CB-O 3.31Å; A133-D200 WeakPolarHBondContact CB-O 3.28Å; Q196-D200 PolarHBondContact NE2-OD1 3.1Å; Q196-D200 WeakPolarHBondContact O-CB 3.39Å; Q196-D200 VanDerWaalsContact O-CG 3.28Å; Q196-D200 PolarHBondContact O-N 2.85Å; I197-D200 PolarHBondContact O-N 2.97Å; D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.11Å; D200-A204 PolarHBondContact O-N 3.01Å
201L92.1Very high89.1Confident28 Ų2876.9 Ų76.915%0.14741%0.41CS..Hα-helixtrans-68.6-43176.5-74.1172.6000112.6A133 Y146 D148 I197 E198 R199 A204 Q205A133-L201 HydrophobicContact CB-CD2 3.9Å; A133-L201 HydrophobicContact CB-CG 4.36Å; Y146-L201 HydrophobicContact CD1-CD2 3.97Å; Y146-L201 HydrophobicContact CE1-CD2 3.55Å; D148-L201 HydrophobicContact CB-CD1 4.1Å; D148-L201 WeakPolarHBondContact OD2-CD1 3.4Å; I197-L201 HydrophobicContact CG2-CD1 4.16Å; I197-L201 WeakPolarHBondContact O-CG 3.34Å; I197-L201 PolarHBondContact O-N 3.29Å; E198-L201 PolarHBondContact O-N 2.87Å; R199-L201 PolarHBondContact O-N 2.62Å; L201-A204 PolarHBondContact O-N 2.66Å; L201-Q205 WeakPolarHBondContact O-CB 3.44Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 2.69Å
202Q92.7Very high87.6Confident126 Ų12676.4 Ų76.459%0.58941%0.41SS*.Hα-helixtrans-62.5-45.1176.6-72.5173.81.500111.3E198 R199 A204 Q205 A206E198-Q202 WeakPolarHBondContact O-CG 3.2Å; E198-Q202 PolarHBondContact O-N 3.05Å; R199-Q202 PolarHBondContact O-N 3.45Å; R199-Q202 VanDerWaalsContact O-N 3.15Å; Q202-A204 PolarHBondContact O-N 3.23Å; Q202-Q205 PolarHBondContact O-N 3.4Å; Q202-A206 PolarHBondContact O-N 3Å
203E93Very high85.6Confident97 Ų9778 Ų7845%0.45342%0.419SS..Hα-helixtrans-61-43.4175.3-71.6-180-16700112K134 R199 Q205 A206 T207K134-E203 IonicContact NZ-OE2 3.73Å; R199-E203 WeakPolarHBondContact O-CG 3.12Å; R199-E203 PolarHBondContact O-N 3.22Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.16Å; E203-A206 PolarHBondContact O-N 3.24Å; E203-T207 PolarHBondContact O-N 3.25Å; E203-T207 VanDerWaalsContact O-N 3.09Å; E203-T207 PolarHBondContact O-OG1 3.06Å
204A90.8Very high83.7Confident14 Ų1483.5 Ų83.512%0.11645%0.446CS..Hα-helixtrans-65.7-35.6178.400000112.6A133 K134 R140 D200 L201 Q202 T207A133-A204 HydrophobicContact CB-CB 3.88Å; K134-A204 HydrophobicContact CG-CB 4.21Å; R140-A204 PolarHBondContact NH1-O 3.39Å; D200-A204 VanDerWaalsContact O-CB 3.3Å; D200-A204 WeakPolarHBondContact O-CB 3.11Å; D200-A204 PolarHBondContact O-N 3.01Å; L201-A204 PolarHBondContact O-N 2.66Å; Q202-A204 PolarHBondContact O-N 3.23Å; A204-T207 PolarHBondContact O-N 3.41Å
205Q87.7Confident81.4Confident113 Ų11386.2 Ų86.253%0.52846%0.459SS..Hα-helixtrans-67.9-35.1174.7-75.8175.4-7.200112.4L201 Q202 E203 T207L201-Q205 WeakPolarHBondContact O-CB 3.44Å; L201-Q205 VanDerWaalsContact O-CG 3.32Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 2.69Å; Q202-Q205 PolarHBondContact O-N 3.4Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.16Å; Q205-T207 VanDerWaalsContact C-N 3.31Å
206A88.1Confident78.5Confident91 Ų9195.5 Ų95.575%0.75250%0.501SS*.Hα-helixtrans-76-17.6176.500000113.5Q202 E203Q202-A206 PolarHBondContact O-N 3Å; E203-A206 PolarHBondContact O-N 3.24Å
207T86.1Confident77.7Confident73 Ų7397.3 Ų97.345%0.44851%0.512SS..SBendtrans-76.5140.8178.9-53.30000110.6R140 E203 A204 Q205R140-T207 VanDerWaalsContact CZ-O 3.3Å; R140-T207 PolarHBondContact NH1-O 3.36Å; R140-T207 PolarHBondContact NH2-O 3.47Å; E203-T207 PolarHBondContact O-N 3.25Å; E203-T207 VanDerWaalsContact O-N 3.09Å; E203-T207 PolarHBondContact O-OG1 3.06Å; A204-T207 PolarHBondContact O-N 3.41Å; Q205-T207 VanDerWaalsContact C-N 3.31Å
208A82.7Confident76.9Confident83 Ų83102.4 Ų102.469%0.68654%0.539SS*.PPolyproline II helixtrans-59.2151.7171.500000111
209L79.1Confident76Confident63 Ų63103.3 Ų103.333%0.3355%0.547SS..PPolyproline II helixtrans-68140170.9-73.4171.6000108.8V137 R140V137-L209 HydrophobicContact CB-CD2 3.91Å; V137-L209 HydrophobicContact CG1-CD2 4.1Å; R140-L209 HydrophobicContact CB-CD1 4.1Å; R140-L209 HydrophobicContact CB-CD2 3.85Å; R140-L209 HydrophobicContact CB-CG 4.45Å; R140-L209 HydrophobicContact CG-CD2 4.38Å
210P74.2Confident74.9Confident49 Ų49101.5 Ų101.532%0.31855%0.549SS..PPolyproline II helixtrans-59.3143.9168.426.5-31.9000108.9
211D67.9Low73.7Confident127 Ų127105.5 Ų105.568%0.67957%0.571SS**PPolyproline II helixtrans-57.2143.3176.9-69.1-35.4000109.5D213 E214D211-D213 PolarHBondContact O-N 3.24Å; D211-E214 PolarHBondContact O-N 2.84Å; D211-E214 VanDerWaalsContact O-N 3.1Å
212E60.2Low72.5Confident160 Ų160110.7 Ų110.775%0.74860%0.599SS**G310 helixtrans-57.7-20.7-172.9-68.7-170.4150.300113.3E214E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.2Å
213D51.6Low71Confident161 Ų161109.6 Ų109.686%0.86160%0.6SS**G310 helixtrans-76.4-7.8-178.9-62.4-33.4000114.4D211D211-D213 PolarHBondContact O-N 3.24Å
214E54.8Low69.3Low153 Ų153110.5 Ų110.572%0.71561%0.611SS**G310 helixtrans-90.20.7179.5-69.2-168.2161.700114.9D211 E212D211-E214 PolarHBondContact O-N 2.84Å; D211-E214 VanDerWaalsContact O-N 3.1Å; E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 3.2Å
215E43.7Very low67.5Low113 Ų113118.6 Ų118.653%0.52865%0.653SS.*  trans-100.191.3-177.6-77.1-177.8-177.900113.7K141K141-E215 IonicContact NZ-OE1 3.24Å; K141-E215 PolarHBondContact NZ-OE1 3.2Å; K141-E215 IonicContact NZ-OE2 2.85Å; K141-E215 PolarHBondContact NZ-OE2 2.82Å
216L34.3Very low65.7Low237 Ų237119.1 Ų119.1100%1.24166%0.664SS**  trans-110.30157.6-79.3168000111

Retrieved 216 of 216 residues in 109.5 ms (Link to these results)