A0A093HPF9_STRCA Loading...

small monomeric GTPase

AlphaFold DB (A0A663E3Q6), UniProt , Accession A0A093HPF9, Species STRCA (Struthio camelus australis), Gene n/a, Length 206 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
1M37.3Very low46.7Very low248 Ų248153.5 Ų153.5100%1.22288%0.88SS**  0101.70-69.5178.4178.200107.8
2A38.7Very low50.1Low106 Ų106145.2 Ų145.288%0.87683%0.83SS**  trans-81.4117.6179.300000108.9N4A2-N4 PolarHBondContact O-N 3.22Å
3A41.7Very low53.4Low101 Ų101137 Ų13784%0.83579%0.791SS**  trans-66.6115.7177.300000109.8K5A3-K5 PolarHBondContact O-N 3.41Å
4N42.7Very low56.5Low164 Ų164130.5 Ų130.588%0.87775%0.752SS**  trans-69.9106.5176-15212.2000108.2A2A2-N4 PolarHBondContact O-N 3.22Å
5K39.9Very low59.3Low184 Ų184122 Ų12280%0.870%0.703SS**PPolyproline II helixtrans-67.4135.7172.2-78.1-177.2177.5179.70109.3A3 K7A3-K5 PolarHBondContact O-N 3.41Å; K5-K7 PolarHBondContact O-N 3.21Å
6P45Very low61.7Low125 Ų125119.1 Ų119.181%0.81268%0.679SS**PPolyproline II helixtrans-67.1131.3-18026.8-31.2000110.3
7K45.8Very low63.8Low217 Ų217112.1 Ų112.194%0.94364%0.639SS**SBendtrans-73.7124.2170.2-72179.9176.3176.70108.8K5K5-K7 PolarHBondContact O-N 3.21Å
8G45.9Very low65.7Low74 Ų74106.2 Ų106.276%0.76361%0.605SS**  trans109.767.5163.600000115.5N10G8-N10 PolarHBondContact O-N 3.26Å
9Q45Very low67.3Low196 Ų196100.6 Ų100.692%0.91657%0.574SS**  trans-70.4108.3147.8-85.6177.9-9.300106.2S11Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.09Å
10N53.6Low68.7Low165 Ų16595.7 Ų95.788%0.88255%0.545SS*.  trans-65.197.2170.7-134.316.9000106.5G8 L12G8-N10 PolarHBondContact O-N 3.26Å; N10-L12 PolarHBondContact O-N 2.86Å
11S78.4Confident70Confident108 Ų10891.1 Ų91.176%0.75552%0.52SS*.PPolyproline II helixtrans-63.1125.3175.756.50000108Q9 A13Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 3.23Å
12L86.8Confident72.6Confident54 Ų5480.7 Ų80.728%0.28347%0.471SS..PPolyproline II helixtrans-50.6141.2174.9-62.9172000109.9N10 L14 K54 E61N10-L12 PolarHBondContact O-N 2.86Å; L12-L14 PolarHBondContact O-N 3.34Å; L12-K54 HydrophobicContact CD1-CD 4.18Å; L12-K54 VanDerWaalsContact CD1-CE 3.43Å; L12-K54 HydrophobicContact CD1-CG 4.24Å; L12-E61 HydrophobicContact CD1-CG 4.22Å; L12-E61 HydrophobicContact CD2-CB 3.96Å; L12-E61 HydrophobicContact CD2-CG 3.86Å; L12-E61 WeakPolarHBondContact CD2-O 3.45Å
13A94Very high75.1Confident39 Ų3977.1 Ų77.132%0.32245%0.445SS..EExtended strand (participates in β ladder)trans-59.8126.5174.900000109.2S11 V62 Q63S11-A13 PolarHBondContact O-N 3.23Å; A13-V62 HydrophobicContact CB-CB 4.44Å; A13-V62 HydrophobicContact CB-CG1 4.06Å; A13-Q63 PolarHBondContact O-N 2.93Å
14L96.6Very high77.5Confident46 Ų4675.2 Ų75.224%0.24144%0.435CS..EExtended strand (participates in β ladder)trans-98.4127.4176.8-174.166.4000109.2L12 K16 Q63 D65 K179L12-L14 PolarHBondContact O-N 3.34Å; L14-K16 HydrophobicContact CD2-CG 4.45Å; L14-K16 HydrophobicContact CG-CG 4.46Å; L14-Q63 CarbonylContact C-O 3.53Å; L14-Q63 VanDerWaalsContact CA-O 3.3Å; L14-Q63 WeakPolarHBondContact CA-O 3.27Å; L14-Q63 HydrophobicContact CD1-CB 3.89Å; L14-Q63 HydrophobicContact CD1-CG 3.78Å; L14-D65 HydrophobicContact CD1-CB 3.94Å; L14-D65 HydrophobicContact CG-CB 4.49Å; L14-K179 PolarHBondContact O-NZ 3.46Å
15H97.9Very high80Confident3 Ų367.4 Ų67.41%0.01439%0.394CS..EExtended strand (participates in β ladder)trans-112.3115.2174.6-65.2-59.2000109.9Q63 I64 D65 E87 M172 I175H15-Q63 PolarHBondContact N-O 3.24Å; H15-I64 WeakPolarHBondContact O-CA 3.43Å; H15-D65 PolarHBondContact O-N 2.96Å; H15-E87 WeakPolarHBondContact CA-OE2 3.45Å; H15-M172 HydrophobicContact CB-CG 4.01Å; H15-M172 HydrophobicContact CB-SD 4.42Å; H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.34Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.39Å
16K97.9Very high82.6Confident76 Ų7659.4 Ų59.433%0.3336%0.363SS..EExtended strand (participates in β ladder)trans-94.5107-178.2-61.3-179.9178.9-176.30111.3L14 D65 S85 E87 G88L14-K16 HydrophobicContact CD2-CG 4.45Å; L14-K16 HydrophobicContact CG-CG 4.46Å; K16-D65 CarbonylContact C-O 3.49Å; K16-D65 WeakPolarHBondContact CA-O 3.25Å; K16-D65 HydrophobicContact CG-CB 4.42Å; K16-S85 WeakPolarHBondContact CD-O 2.91Å; K16-E87 HydrophobicContact CB-CB 4.33Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 PolarHBondContact N-OE2 3.42Å; K16-E87 WeakPolarHBondContact O-CB 3.11Å; K16-E87 PolarHBondContact O-N 3.04Å; K16-G88 PolarHBondContact O-N 3.31Å; K16-G88 VanDerWaalsContact O-N 3.13Å
17V98.2Very high84.9Confident0 Ų053.8 Ų53.80%033%0.326CS..EExtended strand (participates in β ladder)trans-102.2132.9179.1173.60000109.4M19 I64 D65 I66 L67 G88 L90 F168 L171 I175V17-M19 HydrophobicContact CG1-SD 4.32Å; V17-I64 HydrophobicContact CG2-CD1 3.96Å; V17-I64 HydrophobicContact CG2-CG1 4.12Å; V17-D65 PolarHBondContact N-O 3.21Å; V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.51Å; V17-I66 WeakPolarHBondContact O-CA 3.03Å; V17-L67 PolarHBondContact O-N 3.31Å; V17-G88 WeakPolarHBondContact CA-O 3.24Å; V17-L90 HydrophobicContact CG1-CD1 4.35Å; V17-L90 HydrophobicContact CG1-CG 4.17Å; V17-F168 HydrophobicContact CG1-CD1 4.45Å; V17-F168 HydrophobicContact CG1-CE1 4.44Å; V17-L171 HydrophobicContact CB-CD2 4.31Å; V17-L171 HydrophobicContact CG1-CD2 3.65Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; V17-L171 HydrophobicContact CG2-CG 4.47Å; V17-I175 HydrophobicContact CG2-CD1 3.98Å
18I97.2Very high87.2Confident5 Ų544.3 Ų44.33%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-111.9128.6175-47.1-60.3000109V20 L67 T69 G88 F89 L90I18-V20 HydrophobicContact CG2-CG1 4.02Å; I18-L67 HydrophobicContact CD1-CB 3.65Å; I18-L67 HydrophobicContact CD1-CD2 3.89Å; I18-L67 HydrophobicContact CD1-CG 4.42Å; I18-L67 HydrophobicContact CG2-CD2 4.39Å; I18-T69 HydrophobicContact CG2-CG2 4.27Å; I18-G88 PolarHBondContact N-O 2.87Å; I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.85Å; I18-F89 HydrophobicContact CG1-CD1 4.25Å; I18-F89 HydrophobicContact CG1-CE1 3.87Å; I18-F89 HydrophobicContact CG1-CZ 4.44Å; I18-F89 HydrophobicContact CG2-CD1 4.36Å; I18-F89 HydrophobicContact CG2-CE1 4.34Å; I18-F89 WeakPolarHBondContact O-CA 3.47Å; I18-L90 PolarHBondContact O-N 3.08Å
19M96.5Very high89.5Confident0 Ų041.5 Ų41.50%026%0.257CS..EExtended strand (participates in β ladder)trans-86.4123.4172.7-52.9-59.5-7300109.1V17 K27 L30 I66 L67 T69 L90 V92 F168V17-M19 HydrophobicContact CG1-SD 4.32Å; M19-K27 HydrophobicContact CB-CB 4.11Å; M19-K27 HydrophobicContact CB-CD 4.28Å; M19-K27 HydrophobicContact CB-CG 4.43Å; M19-L30 HydrophobicContact CE-CB 4.25Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 3.95Å; M19-L67 PolarHBondContact N-O 3.36Å; M19-T69 WeakPolarHBondContact O-CG2 3.37Å; M19-T69 PolarHBondContact O-OG1 2.88Å; M19-L90 HydrophobicContact CE-CB 4.22Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.93Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.28Å; M19-V92 HydrophobicContact CE-CG2 4Å; M19-F168 HydrophobicContact CE-CE1 4.31Å; M19-F168 HydrophobicContact CE-CZ 3.94Å; M19-F168 HydrophobicContact SD-CE1 3.75Å; M19-F168 HydrophobicContact SD-CZ 3.99Å
20V95.4Very high92Very high2 Ų232.2 Ų32.21%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-129.3158.2175.8-56.90000110.7I18 F83 F89 L90 C91 V92 F107 I111I18-V20 HydrophobicContact CG2-CG1 4.02Å; V20-F83 HydrophobicContact CG1-CE1 3.68Å; V20-F83 HydrophobicContact CG1-CZ 4.25Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; V20-L90 PolarHBondContact N-O 2.94Å; V20-C91 HydrophobicContact CG2-CB 3.9Å; V20-V92 PolarHBondContact O-N 2.81Å; V20-F107 HydrophobicContact CB-CD1 4Å; V20-F107 HydrophobicContact CB-CG 4.31Å; V20-F107 HydrophobicContact CG2-CB 4.17Å; V20-F107 HydrophobicContact CG2-CG 4.39Å; V20-I111 HydrophobicContact CG1-CD1 4.32Å; V20-I111 HydrophobicContact CG2-CD1 3.99Å
21G95.1Very high94Very high1 Ų124.3 Ų24.31%0.0117%0.171CC..  trans138.6160.9-173.700000111.7K27 G71 V92 F107G21-K27 PolarHBondContact O-NZ 3.14Å; G21-G71 VanDerWaalsContact O-CA 3.32Å; G21-G71 WeakPolarHBondContact O-CA 3.36Å; G21-V92 VanDerWaalsContact CA-O 3.27Å; G21-V92 WeakPolarHBondContact CA-O 3.33Å; G21-F107 VanDerWaalsContact C-CE2 3.43Å; G21-F107 VanDerWaalsContact C-CZ 3.44Å; G21-F107 VanDerWaalsContact CA-CE2 3.41Å
22S92.9Very high94.8Very high28 Ų2819.9 Ų19.920%0.19614%0.139CC..  trans-57.3164.5-179.5-56.40000112.8V25 K27 A103S22-V25 WeakPolarHBondContact O-CG1 3.45Å; S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.37Å; S22-K27 PolarHBondContact O-NZ 3.33Å; S22-A103 WeakPolarHBondContact OG-CB 3.35Å
23G90.9Very high95.2Very high32 Ų3217.9 Ų17.933%0.3313%0.128SC..THydrogen-bonded Turntrans-57.2146.2170.500000111.3V25G23-V25 PolarHBondContact O-N 3.39Å; G23-V25 VanDerWaalsContact O-N 3.13Å
24G91Very high95.4Very high61 Ų6116.1 Ų16.163%0.62911%0.113SC*.THydrogen-bonded Turntrans74.2-1.917300000117.2G26 K128G24-G26 PolarHBondContact O-N 2.93Å; G24-K128 WeakPolarHBondContact O-CE 3.38Å; G24-K128 PolarHBondContact O-NZ 3.43Å
25V95Very high95.3Very high0 Ų014.7 Ų14.70%011%0.105CC..SBendtrans-71.5-16.7178.5-56.40000113.6S22 G23 K27 V92 N127S22-V25 WeakPolarHBondContact O-CG1 3.45Å; S22-V25 VanDerWaalsContact O-CG2 3.25Å; S22-V25 WeakPolarHBondContact O-CG2 3.37Å; G23-V25 PolarHBondContact O-N 3.39Å; G23-V25 VanDerWaalsContact O-N 3.13Å; V25-K27 HydrophobicContact CG2-CD 4.38Å; V25-K27 HydrophobicContact CG2-CG 3.69Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 4.01Å; V25-V92 HydrophobicContact CG2-CG1 3.88Å; V25-N127 PolarHBondContact O-ND2 3.41Å
26G94.6Very high95.1Very high16 Ų1620.6 Ų20.617%0.16513%0.128CC..SBendtrans101.328.5176.600000115.8G24 A29 L30G24-G26 PolarHBondContact O-N 2.93Å; G26-A29 PolarHBondContact O-N 3.21Å; G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 3.31Å
27K95Very high94.8Very high7 Ų721.8 Ų21.83%0.0314%0.138CC..Hα-helixtrans-56-50.4174.9-58.6-174.8-61.5-78.50112.3M19 G21 S22 V25 L30 T31 D68 T69 A70 V92M19-K27 HydrophobicContact CB-CB 4.11Å; M19-K27 HydrophobicContact CB-CD 4.28Å; M19-K27 HydrophobicContact CB-CG 4.43Å; G21-K27 PolarHBondContact O-NZ 3.14Å; S22-K27 PolarHBondContact O-NZ 3.33Å; V25-K27 HydrophobicContact CG2-CD 4.38Å; V25-K27 HydrophobicContact CG2-CG 3.69Å; K27-L30 PolarHBondContact O-N 3.49Å; K27-T31 WeakPolarHBondContact O-CB 3.5Å; K27-T31 PolarHBondContact O-N 3.2Å; K27-T31 PolarHBondContact O-OG1 2.71Å; K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.3Å; K27-T69 WeakPolarHBondContact CE-O 3.36Å; K27-A70 PolarHBondContact NZ-O 3.23Å; K27-V92 HydrophobicContact CG-CB 4.28Å; K27-V92 HydrophobicContact CG-CG2 4.43Å
28S93.4Very high94.2Very high17 Ų1727.5 Ų27.512%0.11917%0.165CC..Hα-helixtrans-65.4-44.2177.9-41.50000111.3L30 T31 L32 T46 D68S28-L30 PolarHBondContact O-N 2.91Å; S28-T31 PolarHBondContact O-N 3.41Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-L32 WeakPolarHBondContact O-CB 3.35Å; S28-L32 VanDerWaalsContact O-CG 3.31Å; S28-L32 WeakPolarHBondContact O-CG 3.45Å; S28-L32 PolarHBondContact O-N 2.8Å; S28-T46 PolarHBondContact OG-OG1 3.24Å; S28-D68 WeakPolarHBondContact CA-OD2 3.41Å; S28-D68 WeakPolarHBondContact CB-OD2 3.38Å; S28-D68 PolarHBondContact N-OD1 3.45Å; S28-D68 PolarHBondContact OG-OD1 3.08Å; S28-D68 PolarHBondContact OG-OD2 2.84Å
29A94.6Very high93.5Very high16 Ų1630.9 Ų30.913%0.13218%0.18CC..Hα-helixtrans-60.2-43.2177.400000112.3G26 Q33 F39 A158G26-A29 PolarHBondContact O-N 3.21Å; A29-Q33 WeakPolarHBondContact O-CB 3.47Å; A29-Q33 PolarHBondContact O-N 3.09Å; A29-F39 HydrophobicContact CB-CD2 4.47Å; A29-F39 HydrophobicContact CB-CE2 4.2Å; A29-A158 HydrophobicContact CB-CB 3.7Å
30L97.1Very high92.6Very high0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-64-43.3173.9-73.7172.2000111.9M19 G26 K27 S28 F34 V92 V125 N127 A158 V164M19-L30 HydrophobicContact CE-CB 4.25Å; G26-L30 WeakPolarHBondContact O-CG 3.39Å; G26-L30 PolarHBondContact O-N 3.31Å; K27-L30 PolarHBondContact O-N 3.49Å; S28-L30 PolarHBondContact O-N 2.91Å; L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 2.92Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.1Å; L30-V125 HydrophobicContact CD1-CG1 4.32Å; L30-N127 HydrophobicContact CD1-CB 4.29Å; L30-A158 HydrophobicContact CD2-CB 3.89Å; L30-A158 HydrophobicContact CG-CB 4.17Å; L30-V164 HydrophobicContact CD2-CG1 4.47Å; L30-V164 HydrophobicContact CD2-CG2 3.77Å
31T95.8Very high91.4Very high0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-62.2-51179.4-57.70000111K27 S28 F34 M35 Y51 I66K27-T31 WeakPolarHBondContact O-CB 3.5Å; K27-T31 PolarHBondContact O-N 3.2Å; K27-T31 PolarHBondContact O-OG1 2.71Å; S28-T31 PolarHBondContact O-N 3.41Å; S28-T31 VanDerWaalsContact O-N 3.15Å; T31-F34 PolarHBondContact O-N 3.19Å; T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.36Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 3.35Å; T31-Y51 HydrophobicContact CG2-CD2 3.58Å; T31-Y51 HydrophobicContact CG2-CE2 4.06Å; T31-Y51 HydrophobicContact CG2-CG 3.97Å; T31-I66 HydrophobicContact CG2-CB 4.28Å; T31-I66 HydrophobicContact CG2-CD1 4.31Å; T31-I66 HydrophobicContact CG2-CG2 3.82Å
32L94.3Very high90.1Very high14 Ų1447 Ų477%0.07326%0.263CS..Hα-helixtrans-65.5-41.1179.9-66.2175.5000112S28 F34 M35 Y36 V40 Y43 Y51S28-L32 WeakPolarHBondContact O-CB 3.35Å; S28-L32 VanDerWaalsContact O-CG 3.31Å; S28-L32 WeakPolarHBondContact O-CG 3.45Å; S28-L32 PolarHBondContact O-N 2.8Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.99Å; L32-M35 PolarHBondContact O-N 3.38Å; L32-Y36 HydrophobicContact CD2-CD2 3.87Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 3.46Å; L32-V40 HydrophobicContact CD1-CB 4.41Å; L32-V40 HydrophobicContact CD1-CG2 4.19Å; L32-Y43 HydrophobicContact CD1-CD2 3.67Å; L32-Y43 HydrophobicContact CD1-CE2 3.67Å; L32-Y51 HydrophobicContact CD2-CE1 3.89Å
33Q96.2Very high88.8Confident13 Ų1349.6 Ų49.66%0.06127%0.269CS..Hα-helixtrans-59.2-44.6174.9-179.263.6-90.600110.7A29 D37 E38 A158 R161 V164A29-Q33 WeakPolarHBondContact O-CB 3.47Å; A29-Q33 PolarHBondContact O-N 3.09Å; Q33-D37 VanDerWaalsContact O-CA 3.25Å; Q33-D37 WeakPolarHBondContact O-CA 3.4Å; Q33-D37 PolarHBondContact O-N 2.82Å; Q33-D37 VanDerWaalsContact OE1-C 3.22Å; Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.42Å; Q33-E38 PolarHBondContact N-O 2.93Å; Q33-A158 WeakPolarHBondContact CG-O 3.45Å; Q33-A158 PolarHBondContact NE2-O 3.16Å; Q33-R161 HydrophobicContact CG-CB 4.37Å; Q33-R161 HydrophobicContact CG-CG 3.93Å; Q33-R161 PolarHBondContact O-NH1 2.71Å; Q33-V164 HydrophobicContact CB-CG1 4.26Å; Q33-V164 HydrophobicContact CG-CB 4.38Å; Q33-V164 HydrophobicContact CG-CG1 4Å; Q33-V164 HydrophobicContact CG-CG2 4.07Å
34F97.1Very high87.6Confident2 Ų255.9 Ų55.91%0.00929%0.29CS..Hα-helixtrans-68-36.5175.7177.9-103.7000113.6L30 T31 L32 K53 V55 I64 I66 V164 D165 F168 F169L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 2.92Å; T31-F34 PolarHBondContact O-N 3.19Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.99Å; F34-K53 PolarHBondContact O-NZ 3.42Å; F34-V55 HydrophobicContact CZ-CG1 4.21Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.91Å; F34-I64 HydrophobicContact CZ-CD1 4.43Å; F34-I64 HydrophobicContact CZ-CG2 4.43Å; F34-I66 HydrophobicContact CD1-CD1 3.61Å; F34-I66 HydrophobicContact CE1-CD1 3.92Å; F34-V164 HydrophobicContact CB-CG1 3.92Å; F34-D165 WeakPolarHBondContact CD2-OD1 3.22Å; F34-F168 HydrophobicContact CB-CD2 3.61Å; F34-F168 HydrophobicContact CB-CE2 3.46Å; F34-F168 VanDerWaalsContact CB-CE2 3.46Å; F34-F168 HydrophobicContact CB-CG 4.49Å; F34-F168 HydrophobicContact CB-CZ 4.22Å; F34-F168 HydrophobicContact CD1-CD1 4.39Å; F34-F168 HydrophobicContact CD1-CD2 4.01Å; F34-F168 HydrophobicContact CD1-CE2 4.33Å; F34-F168 HydrophobicContact CD1-CG 4.06Å; F34-F168 HydrophobicContact CD2-CB 4.01Å; F34-F168 AromaticContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.3Å; F34-F168 HydrophobicContact CE1-CG 4.26Å; F34-F168 HydrophobicContact CE2-CB 3.74Å; F34-F168 HydrophobicContact CE2-CD2 4.19Å; F34-F168 HydrophobicContact CE2-CG 4.17Å; F34-F168 HydrophobicContact CG-CB 4.38Å; F34-F168 AromaticContact CG-CD2 3.43Å; F34-F168 HydrophobicContact CG-CD2 3.43Å; F34-F168 VanDerWaalsContact CG-CD2 3.43Å; F34-F168 AromaticContact CG-CE2 3.79Å; F34-F168 HydrophobicContact CG-CE2 3.79Å; F34-F168 AromaticContact CG-CG 3.9Å; F34-F168 HydrophobicContact CG-CG 3.9Å; F34-F168 HydrophobicContact CG-CZ 4.5Å; F34-F168 HydrophobicContact CZ-CB 3.89Å; F34-F168 HydrophobicContact CZ-CG 4.31Å; F34-F169 HydrophobicContact CE2-CD2 4.13Å; F34-F169 AromaticContact CE2-CE2 3.83Å; F34-F169 HydrophobicContact CE2-CE2 3.83Å; F34-F169 HydrophobicContact CZ-CE2 4.31Å
35M94.8Very high86.5Confident15 Ų1559.2 Ų59.27%0.07430%0.301CS..Hα-helixtrans-75-47.7-175.9-73.5-64.3-59.800112.4T31 L32 Y51 K53 I66T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.36Å; T31-M35 WeakPolarHBondContact O-CG 3.45Å; T31-M35 PolarHBondContact O-N 3.35Å; L32-M35 PolarHBondContact O-N 3.38Å; M35-Y51 HydrophobicContact CE-CD1 4.44Å; M35-Y51 HydrophobicContact CG-CD1 4.32Å; M35-Y51 HydrophobicContact CG-CG 4.3Å; M35-K53 HydrophobicContact CE-CB 3.76Å; M35-K53 HydrophobicContact CE-CD 4.46Å; M35-K53 PolarHBondContact O-NZ 3Å; M35-K53 HydrophobicContact SD-CB 3.66Å; M35-K53 HydrophobicContact SD-CD 4.09Å; M35-I66 HydrophobicContact SD-CD1 4.2Å
36Y93.3Very high84.9Confident127 Ų12759.9 Ų59.950%0.49831%0.305SS..Hα-helixtrans-124-0.5-165.6-53.9-56.9000114.4L32 E38 Y51L32-Y36 HydrophobicContact CD2-CD2 3.87Å; L32-Y36 HydrophobicContact CD2-CE2 3.79Å; L32-Y36 PolarHBondContact O-N 3.46Å; Y36-E38 PolarHBondContact O-N 3.03Å; Y36-Y51 HydrophobicContact CE2-CD1 4.24Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å
37D91.9Very high83.6Confident101 Ų10168.5 Ų68.554%0.5434%0.337SS..SBendtrans59.431-176.6-51-26.2000112.9Q33 R161Q33-D37 VanDerWaalsContact O-CA 3.25Å; Q33-D37 WeakPolarHBondContact O-CA 3.4Å; Q33-D37 PolarHBondContact O-N 2.82Å; Q33-D37 VanDerWaalsContact OE1-C 3.22Å; D37-R161 IonicContact OD1-CZ 3.71Å; D37-R161 IonicContact OD1-NH1 2.66Å; D37-R161 PolarHBondContact OD1-NH1 3.48Å; D37-R161 IonicContact OD1-NH2 3.62Å; D37-R161 PolarHBondContact OD1-NH2 3.34Å
38E85.2Confident82.5Confident120 Ų12069.5 Ų69.556%0.56135%0.347SS*.  trans-119.8142.6-179.5-71.1-177.4174.400111.2Q33 Y36Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.42Å; Q33-E38 PolarHBondContact N-O 2.93Å; Y36-E38 PolarHBondContact O-N 3.03Å
39F83.1Confident82.2Confident76 Ų7672.2 Ų72.233%0.33336%0.36SS..  trans-108115.8169.1178.9-116.8000109.5A29 E41 A158 K159A29-F39 HydrophobicContact CB-CD2 4.47Å; A29-F39 HydrophobicContact CB-CE2 4.2Å; F39-E41 HydrophobicContact CD1-CG 3.83Å; F39-E41 HydrophobicContact CE1-CB 4.45Å; F39-E41 HydrophobicContact CE1-CG 3.2Å; F39-E41 HydrophobicContact CZ-CG 3.86Å; F39-A158 HydrophobicContact CD2-CB 4.23Å; F39-A158 WeakPolarHBondContact CD2-O 3.47Å; F39-A158 HydrophobicContact CE2-CB 4.18Å; F39-K159 HydrophobicContact CD1-CB 4.3Å; F39-K159 HydrophobicContact CD1-CG 4.07Å; F39-K159 HydrophobicContact CD2-CB 4.4Å; F39-K159 HydrophobicContact CE1-CB 3.97Å; F39-K159 HydrophobicContact CE1-CD 4.23Å; F39-K159 HydrophobicContact CE1-CG 3.81Å; F39-K159 HydrophobicContact CE2-CB 4.13Å; F39-K159 HydrophobicContact CG-CB 4.49Å; F39-K159 HydrophobicContact CZ-CB 3.91Å; F39-K159 HydrophobicContact CZ-CG 4.25Å
40V77.2Confident82Confident50 Ų5075 Ų7530%0.30338%0.378SS..  trans-103.4111.4177-176.20000108L32 Y43L32-V40 HydrophobicContact CD1-CB 4.41Å; L32-V40 HydrophobicContact CD1-CG2 4.19Å; V40-Y43 HydrophobicContact CG1-CD2 4.45Å
41E71.3Confident81.9Confident138 Ų13876.4 Ų76.465%0.64538%0.384SS*.SBendtrans-71.4-46.8179.8-76.2-173.417500111.8F39 Y43F39-E41 HydrophobicContact CD1-CG 3.83Å; F39-E41 HydrophobicContact CE1-CB 4.45Å; F39-E41 HydrophobicContact CE1-CG 3.2Å; F39-E41 HydrophobicContact CZ-CG 3.86Å; E41-Y43 PolarHBondContact O-N 3.28Å
42D66.6Low81.9Confident155 Ų15582.8 Ų82.883%0.82941%0.408SS*.SBendtrans-99.482.5-179.5-64.4-41.2000110
43Y66.9Low81.9Confident81 Ų8185 Ų8532%0.31842%0.417SS..  trans-95.7129.1170.8-164.1-96.5000110.1L32 V40 E41 T46L32-Y43 HydrophobicContact CD1-CD2 3.67Å; L32-Y43 HydrophobicContact CD1-CE2 3.67Å; V40-Y43 HydrophobicContact CG1-CD2 4.45Å; E41-Y43 PolarHBondContact O-N 3.28Å; Y43-T46 HydrophobicContact CE1-CG2 4.34Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.35Å
44E65.5Low82Confident165 Ų16590.1 Ų90.177%0.77144%0.439SS*.  trans-61.6135.4172.3-69.8-169.6158.900109.7T46E44-T46 PolarHBondContact O-N 3.49Å
45P66.7Low82Confident131 Ų13190.7 Ų90.785%0.85144%0.443SS*.  trans-47115.3178.1-29.335000112.3
46T62.7Low82.1Confident14 Ų1494.5 Ų94.59%0.08647%0.467CS..  trans-61.8142.9-174.8-36.60000110.6S28 Y43 E44 D49 D68 A70S28-T46 PolarHBondContact OG-OG1 3.24Å; Y43-T46 HydrophobicContact CE1-CG2 4.34Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.35Å; E44-T46 PolarHBondContact O-N 3.49Å; T46-D49 HydrophobicContact CG2-CB 4.41Å; T46-D68 PolarHBondContact OG1-OD2 3.45Å; T46-D68 VanDerWaalsContact OG1-OD2 3.12Å; T46-A70 VanDerWaalsContact O-CA 3.26Å; T46-A70 WeakPolarHBondContact O-CA 3.47Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å
47K66.4Low82.3Confident196 Ų19688.4 Ų88.485%0.85244%0.443SS*.SBendtrans-80.5-57.3165.3-172.2174.4179.6176.40110.7
48A72.5Confident82.5Confident28 Ų2887.7 Ų87.723%0.23144%0.439CS..EExtended strand (participates in β ladder)trans176.7133160.100000106.8D68A48-D68 CarbonylContact C-O 3.59Å; A48-D68 WeakPolarHBondContact CA-O 3.41Å
49D86.3Confident82.9Confident75 Ų7585.5 Ų85.540%0.40145%0.448SS..EExtended strand (participates in β ladder)trans-133145.5-179.4-79.3-48.9000111.9T46 Y51 D68T46-D49 HydrophobicContact CG2-CB 4.41Å; D49-Y51 HydrophobicContact CB-CD2 4.38Å; D49-Y51 HydrophobicContact CB-CE2 3.58Å; D49-D68 PolarHBondContact N-O 3.02Å; D49-D68 PolarHBondContact O-N 3.09Å
50S90.9Very high83.5Confident73 Ų7386.5 Ų86.551%0.5145%0.454SS..EExtended strand (participates in β ladder)trans-108.3128176.7165.40000110.4D65 I66S50-D65 PolarHBondContact OG-OD1 3.28Å; S50-I66 CarbonylContact C-O 3.5Å; S50-I66 WeakPolarHBondContact CA-O 3.5Å
51Y94.7Very high84.5Confident30 Ų3088.5 Ų88.512%0.11846%0.46CS..EExtended strand (participates in β ladder)trans-118.2133.9-178.6-65.3-89.9000109.7T31 L32 M35 Y36 D49 D65 I66 D68T31-Y51 HydrophobicContact CG2-CD2 3.58Å; T31-Y51 HydrophobicContact CG2-CE2 4.06Å; T31-Y51 HydrophobicContact CG2-CG 3.97Å; L32-Y51 HydrophobicContact CD2-CE1 3.89Å; M35-Y51 HydrophobicContact CE-CD1 4.44Å; M35-Y51 HydrophobicContact CG-CD1 4.32Å; M35-Y51 HydrophobicContact CG-CG 4.3Å; Y36-Y51 HydrophobicContact CE2-CD1 4.24Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å; D49-Y51 HydrophobicContact CB-CD2 4.38Å; D49-Y51 HydrophobicContact CB-CE2 3.58Å; Y51-D65 CarbonylContact O-C 3.47Å; Y51-D65 WeakPolarHBondContact O-CA 3.34Å; Y51-I66 PolarHBondContact N-O 2.9Å; Y51-I66 PolarHBondContact O-N 2.99Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.12Å
52R96.6Very high85.7Confident135 Ų13582 Ų8251%0.50943%0.43SS..EExtended strand (participates in β ladder)trans-129.8125.2-177.2-166.4177.3-76.6-172.21.3111.8Q63 I64 D65R52-Q63 HydrophobicContact CG-CG 3.53Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.4Å; R52-I64 WeakPolarHBondContact CG-O 3.48Å; R52-D65 IonicContact CZ-OD2 2.8Å; R52-D65 IonicContact NE-OD2 3.4Å; R52-D65 PolarHBondContact NE-OD2 3.38Å; R52-D65 IonicContact NH2-OD2 3.09Å; R52-D65 PolarHBondContact NH2-OD2 2.95Å
53K94.6Very high87.2Confident60 Ų6076.8 Ų76.826%0.26140%0.4SS..EExtended strand (participates in β ladder)trans-133.1143.7-178.7-174.1168.6176.9171.50110.3F34 M35 V55 Q63 I64F34-K53 PolarHBondContact O-NZ 3.42Å; M35-K53 HydrophobicContact CE-CB 3.76Å; M35-K53 HydrophobicContact CE-CD 4.46Å; M35-K53 PolarHBondContact O-NZ 3Å; M35-K53 HydrophobicContact SD-CB 3.66Å; M35-K53 HydrophobicContact SD-CD 4.09Å; K53-V55 HydrophobicContact CD-CG1 4.33Å; K53-V55 HydrophobicContact CG-CG1 3.98Å; K53-Q63 WeakPolarHBondContact O-CA 3.43Å; K53-I64 HydrophobicContact CB-CG2 4.11Å; K53-I64 PolarHBondContact N-O 3.43Å; K53-I64 VanDerWaalsContact N-O 3.08Å; K53-I64 WeakPolarHBondContact O-CG2 3.4Å; K53-I64 PolarHBondContact O-N 2.72Å
54K97.4Very high88.7Confident121 Ų12173 Ų7353%0.52639%0.385SS..EExtended strand (participates in β ladder)trans-87.3134.2167.5-70.1176158.2-143.50108.6L12 E61 V62L12-K54 HydrophobicContact CD1-CD 4.18Å; L12-K54 VanDerWaalsContact CD1-CE 3.43Å; L12-K54 HydrophobicContact CD1-CG 4.24Å; K54-E61 WeakPolarHBondContact CD-OE1 3.32Å; K54-E61 IonicContact NZ-OE1 2.71Å; K54-E61 PolarHBondContact NZ-OE1 3.29Å; K54-V62 WeakPolarHBondContact CA-O 3.41Å
55V97.1Very high90.2Very high14 Ų1466 Ų669%0.08535%0.354CS..EExtended strand (participates in β ladder)trans-140.7158.3-177.8-62.60000109.8F34 K53 V62 I64 F169 M172F34-V55 HydrophobicContact CZ-CG1 4.21Å; K53-V55 HydrophobicContact CD-CG1 4.33Å; K53-V55 HydrophobicContact CG-CG1 3.98Å; V55-V62 HydrophobicContact CG2-CG2 3.69Å; V55-V62 PolarHBondContact N-O 2.8Å; V55-V62 PolarHBondContact O-N 3.31Å; V55-V62 VanDerWaalsContact O-O 3.1Å; V55-I64 HydrophobicContact CG1-CG2 4.36Å; V55-I64 HydrophobicContact CG2-CG2 4.43Å; V55-F169 HydrophobicContact CB-CE1 4.43Å; V55-F169 HydrophobicContact CB-CZ 4.13Å; V55-F169 HydrophobicContact CG2-CE1 4.49Å; V55-M172 HydrophobicContact CG2-CE 3.93Å; V55-M172 HydrophobicContact CG2-SD 4.05Å
56V97.5Very high91.7Very high94 Ų9459.8 Ų59.857%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-100.1105174.4-179.70000108.6E60 F169V56-E60 CarbonylContact C-O 3.58Å; V56-E60 WeakPolarHBondContact CA-O 3.24Å; V56-F169 WeakPolarHBondContact O-CE1 3.44Å
57L97.1Very high93.2Very high0 Ų060.2 Ų60.20%032%0.315CS..EExtended strand (participates in β ladder)trans-96.6105.517917966.4000109.8G59 E60 V62 F169 M172 R173L57-G59 PolarHBondContact O-N 3.32Å; L57-E60 PolarHBondContact N-O 3.03Å; L57-E60 PolarHBondContact O-N 3.4Å; L57-E60 VanDerWaalsContact O-N 3.09Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.61Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; L57-F169 HydrophobicContact CD1-CD1 3.62Å; L57-F169 HydrophobicContact CD1-CE1 4.32Å; L57-M172 HydrophobicContact CD1-CB 4.22Å; L57-M172 HydrophobicContact CD1-CE 4.41Å; L57-M172 HydrophobicContact CD2-CB 3.84Å; L57-R173 HydrophobicContact CD1-CG 3.91Å
58D95.4Very high94.4Very high86 Ų8650.9 Ų50.946%0.4627%0.274SS..THydrogen-bonded Turntrans51.440.9179.8-48.8-36.1000113.3R173 R176D58-R173 IonicContact OD1-CZ 2.76Å; D58-R173 IonicContact OD1-NE 3.4Å; D58-R173 PolarHBondContact OD1-NE 2.92Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 2.73Å; D58-R173 PolarHBondContact OD1-NH2 2.99Å; D58-R173 IonicContact OD2-NE 3.09Å; D58-R173 PolarHBondContact OD2-NE 3.25Å; D58-R176 IonicContact OD2-CZ 2.8Å; D58-R176 IonicContact OD2-NH1 3.72Å; D58-R176 PolarHBondContact OD2-NH1 3.34Å; D58-R176 IonicContact OD2-NH2 2.87Å; D58-R176 PolarHBondContact OD2-NH2 3.13Å
59G94.9Very high95Very high73 Ų7350 Ų5075%0.75327%0.266SS*.THydrogen-bonded Turntrans90.7-4.8179.100000115.6L57L57-G59 PolarHBondContact O-N 3.32Å
60E95.2Very high94.5Very high97 Ų9747.6 Ų47.645%0.45326%0.256SS..EExtended strand (participates in β ladder)trans-104.9129.9177.2-170.6178.3176.600111.1V56 L57 V62V56-E60 CarbonylContact C-O 3.58Å; V56-E60 WeakPolarHBondContact CA-O 3.24Å; L57-E60 PolarHBondContact N-O 3.03Å; L57-E60 PolarHBondContact O-N 3.4Å; L57-E60 VanDerWaalsContact O-N 3.09Å; E60-V62 HydrophobicContact CB-CG1 4.46Å; E60-V62 HydrophobicContact CG-CG1 4.15Å; E60-V62 PolarHBondContact O-N 2.89Å
61E97.3Very high93.2Very high93 Ų9345 Ų4544%0.43524%0.241SC..EExtended strand (participates in β ladder)trans-70.5119.6171.5-168.5-17317000109.1L12 K54L12-E61 HydrophobicContact CD1-CG 4.22Å; L12-E61 HydrophobicContact CD2-CB 3.96Å; L12-E61 HydrophobicContact CD2-CG 3.86Å; L12-E61 WeakPolarHBondContact CD2-O 3.45Å; K54-E61 WeakPolarHBondContact CD-OE1 3.32Å; K54-E61 IonicContact NZ-OE1 2.71Å; K54-E61 PolarHBondContact NZ-OE1 3.29Å
62V97.4Very high91.7Very high1 Ų150.4 Ų50.41%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-130.5168.5177.2-56.40000109.7A13 K54 V55 L57 E60 M172A13-V62 HydrophobicContact CB-CB 4.44Å; A13-V62 HydrophobicContact CB-CG1 4.06Å; K54-V62 WeakPolarHBondContact CA-O 3.41Å; V55-V62 HydrophobicContact CG2-CG2 3.69Å; V55-V62 PolarHBondContact N-O 2.8Å; V55-V62 PolarHBondContact O-N 3.31Å; V55-V62 VanDerWaalsContact O-O 3.1Å; L57-V62 HydrophobicContact CB-CG1 4.35Å; L57-V62 HydrophobicContact CB-CG2 3.61Å; L57-V62 HydrophobicContact CD2-CG2 4.29Å; E60-V62 HydrophobicContact CB-CG1 4.46Å; E60-V62 HydrophobicContact CG-CG1 4.15Å; E60-V62 PolarHBondContact O-N 2.89Å; V62-M172 HydrophobicContact CG2-SD 4.39Å
63Q97.8Very high90.1Very high46 Ų4645.6 Ų45.622%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-117.4130.1174.7-168.71655000109.4A13 L14 H15 R52 K53A13-Q63 PolarHBondContact O-N 2.93Å; L14-Q63 CarbonylContact C-O 3.53Å; L14-Q63 VanDerWaalsContact CA-O 3.3Å; L14-Q63 WeakPolarHBondContact CA-O 3.27Å; L14-Q63 HydrophobicContact CD1-CB 3.89Å; L14-Q63 HydrophobicContact CD1-CG 3.78Å; H15-Q63 PolarHBondContact N-O 3.24Å; R52-Q63 HydrophobicContact CG-CG 3.53Å; K53-Q63 WeakPolarHBondContact O-CA 3.43Å
64I98.1Very high88.4Confident0 Ų049.9 Ų49.90%028%0.277CS..EExtended strand (participates in β ladder)trans-101.6138171.1-171.5176.9000108.9H15 V17 F34 R52 K53 V55 I66 F168 M172H15-I64 WeakPolarHBondContact O-CA 3.43Å; V17-I64 HydrophobicContact CG2-CD1 3.96Å; V17-I64 HydrophobicContact CG2-CG1 4.12Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.91Å; F34-I64 HydrophobicContact CZ-CD1 4.43Å; F34-I64 HydrophobicContact CZ-CG2 4.43Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.4Å; R52-I64 WeakPolarHBondContact CG-O 3.48Å; K53-I64 HydrophobicContact CB-CG2 4.11Å; K53-I64 PolarHBondContact N-O 3.43Å; K53-I64 VanDerWaalsContact N-O 3.08Å; K53-I64 WeakPolarHBondContact O-CG2 3.4Å; K53-I64 PolarHBondContact O-N 2.72Å; V55-I64 HydrophobicContact CG1-CG2 4.36Å; V55-I64 HydrophobicContact CG2-CG2 4.43Å; I64-I66 HydrophobicContact CD1-CD1 3.99Å; I64-I66 HydrophobicContact CD1-CG1 3.77Å; I64-I66 HydrophobicContact CG1-CD1 4.45Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I64-F168 HydrophobicContact CD1-CB 4.35Å; I64-F168 HydrophobicContact CD1-CD1 4.01Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.25Å; I64-M172 HydrophobicContact CD1-CG 4.07Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.41Å; I64-M172 HydrophobicContact CG1-SD 3.99Å
65D97.8Very high87Confident20 Ų2052.2 Ų52.211%0.10728%0.283CS..EExtended strand (participates in β ladder)trans-120.9110.4173.2-169.4-19.4000107.4L14 H15 K16 V17 S50 Y51 R52L14-D65 HydrophobicContact CD1-CB 3.94Å; L14-D65 HydrophobicContact CG-CB 4.49Å; H15-D65 PolarHBondContact O-N 2.96Å; K16-D65 CarbonylContact C-O 3.49Å; K16-D65 WeakPolarHBondContact CA-O 3.25Å; K16-D65 HydrophobicContact CG-CB 4.42Å; V17-D65 PolarHBondContact N-O 3.21Å; S50-D65 PolarHBondContact OG-OD1 3.28Å; Y51-D65 CarbonylContact O-C 3.47Å; Y51-D65 WeakPolarHBondContact O-CA 3.34Å; R52-D65 IonicContact CZ-OD2 2.8Å; R52-D65 IonicContact NE-OD2 3.4Å; R52-D65 PolarHBondContact NE-OD2 3.38Å; R52-D65 IonicContact NH2-OD2 3.09Å; R52-D65 PolarHBondContact NH2-OD2 2.95Å
66I97.6Very high85.9Confident0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-105119.8-176.7-53.4169.1000107.7V17 M19 T31 F34 M35 S50 Y51 I64 F168V17-I66 HydrophobicContact CB-CG1 4.49Å; V17-I66 CarbonylContact O-C 3.51Å; V17-I66 WeakPolarHBondContact O-CA 3.03Å; M19-I66 HydrophobicContact CG-CG2 3.67Å; M19-I66 HydrophobicContact SD-CG2 3.95Å; T31-I66 HydrophobicContact CG2-CB 4.28Å; T31-I66 HydrophobicContact CG2-CD1 4.31Å; T31-I66 HydrophobicContact CG2-CG2 3.82Å; F34-I66 HydrophobicContact CD1-CD1 3.61Å; F34-I66 HydrophobicContact CE1-CD1 3.92Å; M35-I66 HydrophobicContact SD-CD1 4.2Å; S50-I66 CarbonylContact C-O 3.5Å; S50-I66 WeakPolarHBondContact CA-O 3.5Å; Y51-I66 PolarHBondContact N-O 2.9Å; Y51-I66 PolarHBondContact O-N 2.99Å; I64-I66 HydrophobicContact CD1-CD1 3.99Å; I64-I66 HydrophobicContact CD1-CG1 3.77Å; I64-I66 HydrophobicContact CG1-CD1 4.45Å; I64-I66 HydrophobicContact CG1-CG1 3.84Å; I66-F168 HydrophobicContact CD1-CD1 3.92Å; I66-F168 HydrophobicContact CD1-CE1 3.59Å; I66-F168 HydrophobicContact CD1-CZ 4.21Å; I66-F168 HydrophobicContact CG1-CD1 4.43Å; I66-F168 HydrophobicContact CG1-CE1 4.15Å; I66-F168 HydrophobicContact CG2-CE1 4.2Å
67L95.2Very high84.9Confident22 Ų2252.5 Ų52.512%0.11530%0.297CS..EExtended strand (participates in β ladder)trans-92.7108.3167.1-174.969.3000109.3V17 I18 M19 T69 Y82V17-L67 PolarHBondContact O-N 3.31Å; I18-L67 HydrophobicContact CD1-CB 3.65Å; I18-L67 HydrophobicContact CD1-CD2 3.89Å; I18-L67 HydrophobicContact CD1-CG 4.42Å; I18-L67 HydrophobicContact CG2-CD2 4.39Å; M19-L67 PolarHBondContact N-O 3.36Å; L67-T69 HydrophobicContact CD2-CG2 4.29Å; L67-T69 HydrophobicContact CG-CG2 4.25Å; L67-Y82 HydrophobicContact CD2-CD1 3.47Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.47Å; L67-Y82 HydrophobicContact CD2-CD2 3.87Å; L67-Y82 HydrophobicContact CD2-CE1 4.06Å; L67-Y82 HydrophobicContact CD2-CE2 4.38Å; L67-Y82 HydrophobicContact CD2-CG 3.39Å
68D91.1Very high84Confident0 Ų056 Ų560%032%0.315CS..EExtended strand (participates in β ladder)trans-82.9123.1168.6-175.939.6000109.5K27 S28 T46 A48 D49 Y51K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.3Å; S28-D68 WeakPolarHBondContact CA-OD2 3.41Å; S28-D68 WeakPolarHBondContact CB-OD2 3.38Å; S28-D68 PolarHBondContact N-OD1 3.45Å; S28-D68 PolarHBondContact OG-OD1 3.08Å; S28-D68 PolarHBondContact OG-OD2 2.84Å; T46-D68 PolarHBondContact OG1-OD2 3.45Å; T46-D68 VanDerWaalsContact OG1-OD2 3.12Å; A48-D68 CarbonylContact C-O 3.59Å; A48-D68 WeakPolarHBondContact CA-O 3.41Å; D49-D68 PolarHBondContact N-O 3.02Å; D49-D68 PolarHBondContact O-N 3.09Å; Y51-D68 HydrophobicContact CD2-CB 4.44Å; Y51-D68 HydrophobicContact CE2-CB 4.12Å
69T85.9Confident83.4Confident9 Ų954.2 Ų54.26%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-105.6153.2-177.566.20000110.3I18 M19 K27 L67 G71 E73I18-T69 HydrophobicContact CG2-CG2 4.27Å; M19-T69 WeakPolarHBondContact O-CG2 3.37Å; M19-T69 PolarHBondContact O-OG1 2.88Å; K27-T69 WeakPolarHBondContact CE-O 3.36Å; L67-T69 HydrophobicContact CD2-CG2 4.29Å; L67-T69 HydrophobicContact CG-CG2 4.25Å; T69-G71 PolarHBondContact O-N 3.5Å; T69-E73 WeakPolarHBondContact CB-OE1 3.26Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.45Å
70A74.9Confident83.1Confident25 Ų2552.4 Ų52.421%0.20728%0.275CS..  trans-56.5-32.2172.400000112.6K27 T46K27-A70 PolarHBondContact NZ-O 3.23Å; T46-A70 VanDerWaalsContact O-CA 3.26Å; T46-A70 WeakPolarHBondContact O-CA 3.47Å; T46-A70 WeakPolarHBondContact O-CB 3.3Å
71G64.8Low82.8Confident18 Ų1852.3 Ų52.319%0.18628%0.278CS..SBendtrans76.59.2-164.400000113.9G21 T69G21-G71 VanDerWaalsContact O-CA 3.32Å; G21-G71 WeakPolarHBondContact O-CA 3.36Å; T69-G71 PolarHBondContact O-N 3.5Å
72Q62.5Low82.4Confident144 Ų14451.2 Ų51.267%0.67327%0.27SS*.  trans-136.241178.5-66.3-174-1500110.9D74Q72-D74 PolarHBondContact O-N 3.36Å
73E62.6Low82.2Confident35 Ų3551.4 Ų51.416%0.16427%0.271CS..  trans-72.397.4-178-64.5-170.9-169.300110.9T69 Y75 R79 Y82T69-E73 WeakPolarHBondContact CB-OE1 3.26Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.45Å; E73-Y75 PolarHBondContact O-N 2.97Å; E73-R79 HydrophobicContact CB-CB 4.4Å; E73-R79 PolarHBondContact O-NH1 3.06Å; E73-R79 WeakPolarHBondContact OE2-CA 3.26Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.24Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.22Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.33Å; E73-Y82 VanDerWaalsContact OE2-CE2 3.26Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.49Å
74D58.1Low82Confident150 Ų15055.6 Ų55.680%0.80229%0.285SS*.  trans-62.7-20.6-177.3-68.5-36.8000113.8Q72Q72-D74 PolarHBondContact O-N 3.36Å
75Y69.7Low81.7Confident170 Ų17058.2 Ų58.267%0.66730%0.303SS*.  trans-105.4101.3-179-67.3-81.1000111.8E73 A77 I78 R79E73-Y75 PolarHBondContact O-N 2.97Å; Y75-A77 PolarHBondContact O-N 3.31Å; Y75-A77 VanDerWaalsContact O-N 3.08Å; Y75-I78 HydrophobicContact CG-CD1 4.43Å; Y75-I78 PolarHBondContact O-N 3.11Å; Y75-R79 PolarHBondContact O-N 3.04Å
76A73.9Confident81.7Confident46 Ų4657.3 Ų57.338%0.3830%0.298SS..Hα-helixtrans-51.1-36.5-179.800000114.1I78 R79 D80A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.38Å; A76-R79 PolarHBondContact O-N 3.19Å; A76-D80 WeakPolarHBondContact O-CB 3.22Å; A76-D80 VanDerWaalsContact O-CG 3.23Å; A76-D80 PolarHBondContact O-N 3.12Å
77A76Confident81.7Confident68 Ų6859.8 Ų59.856%0.56231%0.31SS*.Hα-helixtrans-65.4-34.1179.400000113.5Y75 N81Y75-A77 PolarHBondContact O-N 3.31Å; Y75-A77 VanDerWaalsContact O-N 3.08Å; A77-N81 VanDerWaalsContact O-CG 3.27Å; A77-N81 PolarHBondContact O-N 3.33Å; A77-N81 PolarHBondContact O-ND2 3.42Å
78I77.5Confident81.8Confident74 Ų7458.8 Ų58.838%0.37930%0.304SS..Hα-helixtrans-71.6-48178.3-65.1178.9000109.1Y75 A76 D80 N81 Y82Y75-I78 HydrophobicContact CG-CD1 4.43Å; Y75-I78 PolarHBondContact O-N 3.11Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 3.38Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 3.01Å; I78-N81 WeakPolarHBondContact O-CB 3.33Å; I78-N81 PolarHBondContact O-N 3.12Å; I78-N81 VanDerWaalsContact O-N 3.07Å; I78-Y82 HydrophobicContact CG2-CD2 4.11Å; I78-Y82 HydrophobicContact CG2-CE1 4.38Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 VanDerWaalsContact CG2-CZ 3.41Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.43Å; I78-Y82 WeakPolarHBondContact O-CD2 3.31Å; I78-Y82 PolarHBondContact O-N 3.18Å; I78-Y82 VanDerWaalsContact O-N 3.17Å
79R83.8Confident82.2Confident48 Ų4858.8 Ų58.818%0.18130%0.304CS..Hα-helixtrans-56-46.7175.5-175.1179.663.3-130.93.8112.5E73 Y75 A76 N81 Y82 F83E73-R79 HydrophobicContact CB-CB 4.4Å; E73-R79 PolarHBondContact O-NH1 3.06Å; E73-R79 WeakPolarHBondContact OE2-CA 3.26Å; Y75-R79 PolarHBondContact O-N 3.04Å; A76-R79 PolarHBondContact O-N 3.19Å; R79-N81 PolarHBondContact O-N 2.79Å; R79-Y82 PolarHBondContact O-N 3.42Å; R79-Y82 VanDerWaalsContact O-N 3.13Å; R79-F83 HydrophobicContact CG-CD1 4.48Å; R79-F83 HydrophobicContact CG-CD2 4.13Å; R79-F83 HydrophobicContact CG-CE1 3.95Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.45Å; R79-F83 VanDerWaalsContact CG-CZ 3.45Å; R79-F83 WeakPolarHBondContact O-CG 3.49Å; R79-F83 PolarHBondContact O-N 3.21Å
80D88.9Confident82.8Confident35 Ų3558.3 Ų58.319%0.18730%0.301CS..Hα-helixtrans-62-33178.5-75.44.4000111.9A76 I78 R84 V114A76-D80 WeakPolarHBondContact O-CB 3.22Å; A76-D80 VanDerWaalsContact O-CG 3.23Å; A76-D80 PolarHBondContact O-N 3.12Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 3.01Å; D80-R84 VanDerWaalsContact O-CB 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.4Å; D80-R84 PolarHBondContact O-N 3.05Å; D80-R84 PolarHBondContact O-NH1 3.48Å; D80-V114 HydrophobicContact CB-CG2 4.2Å; D80-V114 WeakPolarHBondContact O-CG1 3.43Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.25Å
81N88.2Confident83.9Confident95 Ų9557.1 Ų57.151%0.50829%0.292SS..Hα-helixtrans-67.3-42.7174.9-72.2-25.8000111.8A77 I78 R79 R84 S85A77-N81 VanDerWaalsContact O-CG 3.27Å; A77-N81 PolarHBondContact O-N 3.33Å; A77-N81 PolarHBondContact O-ND2 3.42Å; I78-N81 WeakPolarHBondContact O-CB 3.33Å; I78-N81 PolarHBondContact O-N 3.12Å; I78-N81 VanDerWaalsContact O-N 3.07Å; R79-N81 PolarHBondContact O-N 2.79Å; N81-R84 PolarHBondContact O-N 2.91Å; N81-R84 PolarHBondContact OD1-NH1 2.71Å; N81-R84 VanDerWaalsContact OD1-NH1 3.15Å; N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 2.8Å; N81-S85 PolarHBondContact O-OG 2.76Å
82Y88.5Confident85.5Confident69 Ų6956.3 Ų56.327%0.27128%0.283SS..Hα-helixtrans-62-47.3175.3-58.3-37000111.3L67 E73 I78 R79 R84 S85 G86L67-Y82 HydrophobicContact CD2-CD1 3.47Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.47Å; L67-Y82 HydrophobicContact CD2-CD2 3.87Å; L67-Y82 HydrophobicContact CD2-CE1 4.06Å; L67-Y82 HydrophobicContact CD2-CE2 4.38Å; L67-Y82 HydrophobicContact CD2-CG 3.39Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.24Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.22Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.33Å; E73-Y82 VanDerWaalsContact OE2-CE2 3.26Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.49Å; I78-Y82 HydrophobicContact CG2-CD2 4.11Å; I78-Y82 HydrophobicContact CG2-CE1 4.38Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 VanDerWaalsContact CG2-CZ 3.41Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.43Å; I78-Y82 WeakPolarHBondContact O-CD2 3.31Å; I78-Y82 PolarHBondContact O-N 3.18Å; I78-Y82 VanDerWaalsContact O-N 3.17Å; R79-Y82 PolarHBondContact O-N 3.42Å; R79-Y82 VanDerWaalsContact O-N 3.13Å; Y82-R84 PolarHBondContact O-N 2.98Å; Y82-S85 PolarHBondContact O-N 2.87Å; Y82-S85 PolarHBondContact O-OG 3.04Å; Y82-G86 PolarHBondContact O-N 2.73Å
83F92.5Very high87.2Confident6 Ų649.4 Ų49.43%0.02625%0.251CS..Hα-helixtrans-61.2-44.1177.7-66-8.1000112.1V20 R79 S85 G86 F89 Q110 I111 V114 K115V20-F83 HydrophobicContact CG1-CE1 3.68Å; V20-F83 HydrophobicContact CG1-CZ 4.25Å; R79-F83 HydrophobicContact CG-CD1 4.48Å; R79-F83 HydrophobicContact CG-CD2 4.13Å; R79-F83 HydrophobicContact CG-CE1 3.95Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.45Å; R79-F83 VanDerWaalsContact CG-CZ 3.45Å; R79-F83 WeakPolarHBondContact O-CG 3.49Å; R79-F83 PolarHBondContact O-N 3.21Å; F83-S85 VanDerWaalsContact C-N 3.28Å; F83-S85 PolarHBondContact O-N 2.8Å; F83-G86 PolarHBondContact O-N 2.7Å; F83-F89 HydrophobicContact CB-CE1 4.36Å; F83-F89 HydrophobicContact CB-CZ 4.42Å; F83-F89 AromaticContact CD1-CE1 3.76Å; F83-F89 HydrophobicContact CD1-CE1 3.76Å; F83-F89 HydrophobicContact CE1-CE1 4.45Å; F83-F89 HydrophobicContact CG-CE1 4.3Å; F83-F89 WeakPolarHBondContact O-CZ 3.49Å; F83-Q110 HydrophobicContact CE2-CB 3.87Å; F83-I111 HydrophobicContact CD1-CG1 4.19Å; F83-I111 HydrophobicContact CD2-CG1 4.05Å; F83-I111 HydrophobicContact CE1-CG1 4.17Å; F83-I111 HydrophobicContact CE2-CG1 4.01Å; F83-I111 HydrophobicContact CG-CG1 4.13Å; F83-I111 HydrophobicContact CZ-CG1 4.07Å; F83-V114 HydrophobicContact CB-CB 4.1Å; F83-V114 HydrophobicContact CB-CG1 3.83Å; F83-V114 HydrophobicContact CD2-CG2 4.33Å; F83-K115 WeakPolarHBondContact O-CD 3.47Å
84R94.2Very high88.9Confident134 Ų13447.8 Ų47.851%0.50624%0.243SC..Hα-helixtrans-61.9-39.4177.5-167.2175.2-61.31005.1112.1D80 N81 Y82 V114D80-R84 VanDerWaalsContact O-CB 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.4Å; D80-R84 PolarHBondContact O-N 3.05Å; D80-R84 PolarHBondContact O-NH1 3.48Å; N81-R84 PolarHBondContact O-N 2.91Å; N81-R84 PolarHBondContact OD1-NH1 2.71Å; N81-R84 VanDerWaalsContact OD1-NH1 3.15Å; Y82-R84 PolarHBondContact O-N 2.98Å; R84-V114 HydrophobicContact CB-CG1 4Å
85S93Very high90.8Very high55 Ų5540.6 Ų40.639%0.38521%0.205SC..Hα-helixtrans-79-23.6-178.878.50000114.5K16 N81 Y82 F83K16-S85 WeakPolarHBondContact CD-O 2.91Å; N81-S85 WeakPolarHBondContact O-CB 3.25Å; N81-S85 PolarHBondContact O-N 2.8Å; N81-S85 PolarHBondContact O-OG 2.76Å; Y82-S85 PolarHBondContact O-N 2.87Å; Y82-S85 PolarHBondContact O-OG 3.04Å; F83-S85 VanDerWaalsContact C-N 3.28Å; F83-S85 PolarHBondContact O-N 2.8Å
86G95.9Very high92.2Very high0 Ų033.7 Ų33.70%018%0.18CC..  trans-68.6138.8179.400000112.4Y82 F83 K115Y82-G86 PolarHBondContact O-N 2.73Å; F83-G86 PolarHBondContact O-N 2.7Å; G86-K115 PolarHBondContact O-NZ 2.91Å
87E97.9Very high93.4Very high53 Ų5335 Ų3525%0.24818%0.178CC..SBendtrans-100.3-26.7178.4-63.9175.9151.300111.9H15 K16 P121 I175 K179H15-E87 WeakPolarHBondContact CA-OE2 3.45Å; K16-E87 HydrophobicContact CB-CB 4.33Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 PolarHBondContact N-OE2 3.42Å; K16-E87 WeakPolarHBondContact O-CB 3.11Å; K16-E87 PolarHBondContact O-N 3.04Å; E87-P121 WeakPolarHBondContact O-CD 3.35Å; E87-P121 WeakPolarHBondContact O-CG 3.39Å; E87-I175 HydrophobicContact CB-CD1 4.18Å; E87-I175 HydrophobicContact CB-CG1 4.28Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; E87-K179 WeakPolarHBondContact OE1-CE 3.27Å; E87-K179 IonicContact OE1-NZ 2.71Å; E87-K179 PolarHBondContact OE1-NZ 2.9Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.25Å; E87-K179 IonicContact OE2-NZ 3.41Å; E87-K179 PolarHBondContact OE2-NZ 3.44Å
88G98.2Very high94.4Very high0 Ų035.5 Ų35.50%017%0.171CC..EExtended strand (participates in β ladder)trans-151.6161169.800000112.4K16 V17 I18 P121K16-G88 PolarHBondContact O-N 3.31Å; K16-G88 VanDerWaalsContact O-N 3.13Å; V17-G88 WeakPolarHBondContact CA-O 3.24Å; I18-G88 PolarHBondContact N-O 2.87Å; G88-P121 CarbonylContact C-O 3.55Å; G88-P121 VanDerWaalsContact CA-O 3.23Å; G88-P121 WeakPolarHBondContact CA-O 3.47Å
89F98.4Very high95.4Very high0 Ų039.5 Ų39.50%019%0.188CC..EExtended strand (participates in β ladder)trans-128.8128-170.3-60.8-93.6000111.2I18 V20 F83 I111 K115 V120 P121 F122 L123I18-F89 HydrophobicContact CB-CD1 3.78Å; I18-F89 HydrophobicContact CB-CE1 3.85Å; I18-F89 HydrophobicContact CG1-CD1 4.25Å; I18-F89 HydrophobicContact CG1-CE1 3.87Å; I18-F89 HydrophobicContact CG1-CZ 4.44Å; I18-F89 HydrophobicContact CG2-CD1 4.36Å; I18-F89 HydrophobicContact CG2-CE1 4.34Å; I18-F89 WeakPolarHBondContact O-CA 3.47Å; V20-F89 HydrophobicContact CG1-CD1 4.36Å; F83-F89 HydrophobicContact CB-CE1 4.36Å; F83-F89 HydrophobicContact CB-CZ 4.42Å; F83-F89 AromaticContact CD1-CE1 3.76Å; F83-F89 HydrophobicContact CD1-CE1 3.76Å; F83-F89 HydrophobicContact CE1-CE1 4.45Å; F83-F89 HydrophobicContact CG-CE1 4.3Å; F83-F89 WeakPolarHBondContact O-CZ 3.49Å; F89-I111 HydrophobicContact CB-CD1 4.03Å; F89-I111 HydrophobicContact CD1-CD1 3.46Å; F89-I111 VanDerWaalsContact CD1-CD1 3.46Å; F89-I111 HydrophobicContact CD1-CG1 3.87Å; F89-I111 HydrophobicContact CD1-CG2 4.26Å; F89-I111 HydrophobicContact CD2-CG2 3.8Å; F89-I111 HydrophobicContact CE1-CD1 4.06Å; F89-I111 HydrophobicContact CE1-CG1 3.92Å; F89-I111 HydrophobicContact CE1-CG2 4.15Å; F89-I111 HydrophobicContact CE2-CG2 3.71Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.35Å; F89-I111 HydrophobicContact CG-CG2 4.1Å; F89-I111 HydrophobicContact CZ-CG1 4.46Å; F89-I111 HydrophobicContact CZ-CG2 3.88Å; F89-K115 HydrophobicContact CE2-CD 4.17Å; F89-K115 HydrophobicContact CE2-CG 4.3Å; F89-K115 HydrophobicContact CZ-CD 4.2Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; F89-V120 HydrophobicContact CD2-CG2 3.79Å; F89-V120 HydrophobicContact CE2-CG2 3.61Å; F89-P121 PolarHBondContact N-O 3.01Å; F89-F122 HydrophobicContact CB-CD2 3.87Å; F89-F122 HydrophobicContact CB-CE2 4.38Å; F89-F122 WeakPolarHBondContact O-CA 3.48Å; F89-L123 PolarHBondContact O-N 3Å
90L98.6Very high96Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-96.7108.9164-68-176.2000108V17 I18 M19 V20 V92 L123 V125 V167 F168 L171V17-L90 HydrophobicContact CG1-CD1 4.35Å; V17-L90 HydrophobicContact CG1-CG 4.17Å; I18-L90 PolarHBondContact O-N 3.08Å; M19-L90 HydrophobicContact CE-CB 4.22Å; M19-L90 HydrophobicContact CE-CD1 4.05Å; M19-L90 HydrophobicContact SD-CB 3.93Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.28Å; V20-L90 PolarHBondContact N-O 2.94Å; L90-V92 HydrophobicContact CB-CG2 4.35Å; L90-V92 PolarHBondContact O-N 3.4Å; L90-L123 HydrophobicContact CD2-CB 3.59Å; L90-L123 HydrophobicContact CD2-CD2 4.18Å; L90-V125 HydrophobicContact CD2-CG2 4.05Å; L90-V167 HydrophobicContact CD1-CB 4.42Å; L90-V167 HydrophobicContact CD1-CG2 4.09Å; L90-V167 HydrophobicContact CD2-CB 4.17Å; L90-F168 HydrophobicContact CD1-CD1 3.68Å; L90-F168 HydrophobicContact CD1-CE1 3.52Å; L90-F168 HydrophobicContact CD1-CE2 4.44Å; L90-F168 HydrophobicContact CD1-CG 4.22Å; L90-F168 HydrophobicContact CD1-CZ 3.93Å; L90-L171 HydrophobicContact CD2-CB 4.07Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.39Å; L90-L171 HydrophobicContact CG-CD2 3.64Å
91C98.2Very high96.5Very high0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-92.5100176.9-170.30000109.4V20 F122 L123 V125V20-C91 HydrophobicContact CG2-CB 3.9Å; C91-F122 HydrophobicContact CB-CE1 3.66Å; C91-F122 HydrophobicContact CB-CE2 3.82Å; C91-F122 HydrophobicContact CB-CZ 3.18Å; C91-L123 PolarHBondContact N-O 3.17Å; C91-V125 PolarHBondContact O-N 2.99Å
92V98.5Very high97Very high0 Ų033.7 Ų33.70%017%0.168CC..EExtended strand (participates in β ladder)trans-97.6132.6-171-169.70000110.2M19 V20 G21 V25 K27 L30 L90 V125 N127M19-V92 HydrophobicContact CE-CG2 4Å; V20-V92 PolarHBondContact O-N 2.81Å; G21-V92 VanDerWaalsContact CA-O 3.27Å; G21-V92 WeakPolarHBondContact CA-O 3.33Å; V25-V92 HydrophobicContact CB-CG1 4.34Å; V25-V92 HydrophobicContact CG2-CB 4.01Å; V25-V92 HydrophobicContact CG2-CG1 3.88Å; K27-V92 HydrophobicContact CG-CB 4.28Å; K27-V92 HydrophobicContact CG-CG2 4.43Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.1Å; L90-V92 HydrophobicContact CB-CG2 4.35Å; L90-V92 PolarHBondContact O-N 3.4Å; V92-V125 WeakPolarHBondContact CA-O 3.33Å; V92-V125 HydrophobicContact CG2-CB 4.29Å; V92-N127 HydrophobicContact CG1-CB 3.83Å
93F98.6Very high97.4Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-129.1168165.972.2-85.6000110I95 F101 T104 L124 V125 N127 V137 A142 Y153F93-I95 HydrophobicContact CE2-CG2 4.13Å; F93-F101 HydrophobicContact CB-CB 4.41Å; F93-F101 AromaticContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CB 3.67Å; F93-F101 AromaticContact CD2-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.72Å; F93-F101 HydrophobicContact CE1-CD2 3.72Å; F93-F101 HydrophobicContact CE1-CE2 4.12Å; F93-F101 HydrophobicContact CE2-CB 4.11Å; F93-F101 AromaticContact CE2-CD2 3.74Å; F93-F101 HydrophobicContact CE2-CD2 3.74Å; F93-F101 HydrophobicContact CE2-CG 4.22Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 AromaticContact CG-CD2 3.95Å; F93-F101 HydrophobicContact CG-CD2 3.95Å; F93-F101 AromaticContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CE2 4.07Å; F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.09Å; F93-T104 HydrophobicContact CG-CG2 4.29Å; F93-L124 HydrophobicContact CD1-CD1 3.88Å; F93-L124 HydrophobicContact CD1-CG 4.44Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.5Å; F93-L124 HydrophobicContact CE1-CG 4Å; F93-V125 VanDerWaalsContact CD1-O 3.26Å; F93-V125 WeakPolarHBondContact CD1-O 3.42Å; F93-V125 PolarHBondContact N-O 3.41Å; F93-N127 PolarHBondContact O-N 2.67Å; F93-V137 HydrophobicContact CD2-CG2 4.43Å; F93-V137 HydrophobicContact CE2-CB 4.01Å; F93-V137 HydrophobicContact CE2-CG1 3.79Å; F93-V137 HydrophobicContact CE2-CG2 4.15Å; F93-V137 HydrophobicContact CZ-CG1 4.24Å; F93-A142 HydrophobicContact CZ-CB 3.94Å; F93-Y153 HydrophobicContact CE1-CD2 4.46Å; F93-Y153 AromaticContact CE1-CE2 3.7Å; F93-Y153 HydrophobicContact CE1-CE2 3.7Å; F93-Y153 AromaticContact CZ-CE2 3.66Å; F93-Y153 HydrophobicContact CZ-CE2 3.66Å
94S98.4Very high97.6Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-98.5127.1174.5-175.80000109.5T96 E97 S100 K128S94-T96 PolarHBondContact O-N 3.21Å; S94-T96 PolarHBondContact OG-OG1 3.25Å; S94-E97 PolarHBondContact O-N 3.13Å; S94-S100 PolarHBondContact N-OG 2.73Å; S94-S100 PolarHBondContact O-OG 2.66Å; S94-K128 VanDerWaalsContact OG-CD 3.26Å; S94-K128 WeakPolarHBondContact OG-CD 3.13Å; S94-K128 WeakPolarHBondContact OG-CE 3.35Å
95I98.8Very high97.8Very high0 Ų026.5 Ų26.50%015%0.153CC..THydrogen-bonded Turntrans-62.1-18.2177.465.8159.6000112.7F93 N127 K128 Q136 V137F93-I95 HydrophobicContact CE2-CG2 4.13Å; I95-N127 PolarHBondContact N-O 2.92Å; I95-K128 WeakPolarHBondContact CD1-O 3.4Å; I95-K128 WeakPolarHBondContact CG1-O 3.41Å; I95-Q136 PolarHBondContact O-N 3.35Å; I95-V137 PolarHBondContact O-N 3.01Å
96T98.4Very high97.9Very high24 Ų2428.3 Ų28.315%0.14716%0.158CC..THydrogen-bonded Turntrans-90.63.8179.572.90000113.8S94 L131 K134 Q136S94-T96 PolarHBondContact O-N 3.21Å; S94-T96 PolarHBondContact OG-OG1 3.25Å; T96-L131 HydrophobicContact CG2-CB 3.65Å; T96-L131 HydrophobicContact CG2-CD1 4.11Å; T96-K134 WeakPolarHBondContact CA-O 3.14Å; T96-K134 WeakPolarHBondContact CB-O 3.36Å; T96-K134 HydrophobicContact CG2-CB 3.87Å; T96-Q136 PolarHBondContact O-NE2 3.01Å; T96-Q136 VanDerWaalsContact O-NE2 3.12Å; T96-Q136 PolarHBondContact O-OE1 3.14Å
97E98.1Very high97.8Very high73 Ų7329.8 Ų29.834%0.34117%0.165SC..  trans-143.299.6-173.9-175.4176.8-141.600110.5S94 E99 S100 F101S94-E97 PolarHBondContact O-N 3.13Å; E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.28Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.46Å; E97-S100 VanDerWaalsContact O-N 3.15Å; E97-S100 PolarHBondContact O-OG 3.45Å; E97-F101 PolarHBondContact O-N 3.34Å
98L98.1Very high97.8Very high79 Ų7927.9 Ų27.941%0.41416%0.155SC..Hα-helixtrans-59.7-37-176.2-177.462.6000113S100 F101 A102 Q136 V137L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-F101 HydrophobicContact CD1-CD1 4.4Å; L98-F101 WeakPolarHBondContact O-CB 3.46Å; L98-F101 PolarHBondContact O-N 2.92Å; L98-F101 VanDerWaalsContact O-N 3.13Å; L98-A102 PolarHBondContact O-N 3.48Å; L98-Q136 HydrophobicContact CB-CB 4.34Å; L98-Q136 VanDerWaalsContact N-OE1 3.09Å; L98-V137 HydrophobicContact CD1-CG2 4.03Å
99E97.8Very high97.7Very high158 Ų15833.9 Ų33.974%0.73818%0.184SC*.Hα-helixtrans-61.5-38.1178.4-64.3-177.6-17700112E97 F101 A102 A103E97-E99 VanDerWaalsContact C-N 3.28Å; E97-E99 PolarHBondContact O-N 3.28Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.03Å; E99-A102 PolarHBondContact O-N 3.26Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.29Å
100S97.7Very high97.4Very high1 Ų136 Ų361%0.00719%0.194CC..Hα-helixtrans-64.9-35.4176.378.70000112.2S94 E97 L98S94-S100 PolarHBondContact N-OG 2.73Å; S94-S100 PolarHBondContact O-OG 2.66Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.46Å; E97-S100 VanDerWaalsContact O-N 3.15Å; E97-S100 PolarHBondContact O-OG 3.45Å; L98-S100 VanDerWaalsContact C-N 3.29Å; L98-S100 PolarHBondContact O-N 2.85Å
101F98.6Very high97.3Very high1 Ų136 Ų360%0.00419%0.194CC..Hα-helixtrans-69.5-47173.6177.3-115.6000110.5F93 E97 L98 E99 A103 T104 L124 V137 E141 A142 R145F93-F101 HydrophobicContact CB-CB 4.41Å; F93-F101 AromaticContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD1-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CB 3.67Å; F93-F101 AromaticContact CD2-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CD2 3.88Å; F93-F101 HydrophobicContact CD2-CG 4.2Å; F93-F101 AromaticContact CE1-CD2 3.72Å; F93-F101 HydrophobicContact CE1-CD2 3.72Å; F93-F101 HydrophobicContact CE1-CE2 4.12Å; F93-F101 HydrophobicContact CE2-CB 4.11Å; F93-F101 AromaticContact CE2-CD2 3.74Å; F93-F101 HydrophobicContact CE2-CD2 3.74Å; F93-F101 HydrophobicContact CE2-CG 4.22Å; F93-F101 HydrophobicContact CG-CB 4.08Å; F93-F101 AromaticContact CG-CD2 3.95Å; F93-F101 HydrophobicContact CG-CD2 3.95Å; F93-F101 AromaticContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CD2 3.65Å; F93-F101 HydrophobicContact CZ-CE2 4.07Å; E97-F101 PolarHBondContact O-N 3.34Å; L98-F101 HydrophobicContact CD1-CD1 4.4Å; L98-F101 WeakPolarHBondContact O-CB 3.46Å; L98-F101 PolarHBondContact O-N 2.92Å; L98-F101 VanDerWaalsContact O-N 3.13Å; E99-F101 VanDerWaalsContact C-N 3.29Å; E99-F101 PolarHBondContact O-N 3.03Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 3.12Å; F101-T104 WeakPolarHBondContact O-CB 3.31Å; F101-T104 WeakPolarHBondContact O-CG2 3.22Å; F101-T104 PolarHBondContact O-N 3.18Å; F101-T104 PolarHBondContact O-OG1 2.79Å; F101-L124 HydrophobicContact CE2-CD2 4.29Å; F101-V137 HydrophobicContact CB-CG1 4.27Å; F101-V137 HydrophobicContact CB-CG2 3.65Å; F101-V137 HydrophobicContact CD1-CG1 3.82Å; F101-V137 HydrophobicContact CD1-CG2 4.32Å; F101-V137 HydrophobicContact CD2-CG1 4.05Å; F101-V137 HydrophobicContact CE1-CG1 4.09Å; F101-V137 HydrophobicContact CE2-CG1 4.3Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.09Å; F101-V137 HydrophobicContact CZ-CG1 4.32Å; F101-E141 HydrophobicContact CE1-CG 3.75Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.44Å; F101-E141 HydrophobicContact CZ-CG 4.19Å; F101-A142 HydrophobicContact CE2-CB 3.98Å; F101-A142 HydrophobicContact CZ-CB 4.28Å; F101-R145 HydrophobicContact CE2-CB 4.5Å; F101-R145 HydrophobicContact CZ-CB 4.01Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 VanDerWaalsContact CZ-NE 3.27Å; F101-R145 PolarHBondContact O-NH1 2.86Å
102A97.9Very high97.2Very high54 Ų5437.2 Ų37.245%0.44620%0.2SC..Hα-helixtrans-53.4-44.717600000112.2L98 E99 T104 A105L98-A102 PolarHBondContact O-N 3.48Å; E99-A102 PolarHBondContact O-N 3.26Å; A102-T104 PolarHBondContact O-N 3.03Å; A102-T104 VanDerWaalsContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.43Å
103A96.7Very high97Very high19 Ų1943.9 Ų43.916%0.15723%0.225CC..THydrogen-bonded Turntrans-62.1-1917900000114.8S22 E99 F101 A105 D106 F107S22-A103 WeakPolarHBondContact OG-CB 3.35Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 3.29Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 3.12Å; A103-A105 PolarHBondContact O-N 2.99Å; A103-D106 PolarHBondContact O-N 3.28Å; A103-D106 VanDerWaalsContact O-N 3.15Å; A103-F107 HydrophobicContact CB-CE2 4.3Å; A103-F107 WeakPolarHBondContact O-CD2 3.1Å; A103-F107 PolarHBondContact O-N 2.91Å
104T97.6Very high96.9Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-58.7-30177.360.30000112.9F93 F101 A102 F107 R108 L124 R145 W149F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.09Å; F93-T104 HydrophobicContact CG-CG2 4.29Å; F101-T104 WeakPolarHBondContact O-CB 3.31Å; F101-T104 WeakPolarHBondContact O-CG2 3.22Å; F101-T104 PolarHBondContact O-N 3.18Å; F101-T104 PolarHBondContact O-OG1 2.79Å; A102-T104 PolarHBondContact O-N 3.03Å; A102-T104 VanDerWaalsContact O-N 3.12Å; T104-F107 PolarHBondContact O-N 2.8Å; T104-R108 WeakPolarHBondContact O-CB 3.22Å; T104-R108 PolarHBondContact O-N 2.82Å; T104-L124 HydrophobicContact CG2-CD1 3.98Å; T104-R145 PolarHBondContact OG1-NH1 3.18Å; T104-W149 WeakPolarHBondContact OG1-CH2 3.43Å
105A97.7Very high96.7Very high39 Ų3947.7 Ų47.732%0.32224%0.243SC..Hα-helixtrans-63.8-43.3177.200000111.7A102 A103 F107 R108 E109 W149A102-A105 PolarHBondContact O-N 3.43Å; A103-A105 PolarHBondContact O-N 2.99Å; A105-F107 PolarHBondContact O-N 3.41Å; A105-R108 WeakPolarHBondContact O-CB 3.28Å; A105-R108 PolarHBondContact O-N 3.18Å; A105-E109 PolarHBondContact O-N 2.79Å; A105-W149 HydrophobicContact CB-CZ2 4.17Å
106D95.2Very high96.5Very high94 Ų9456.4 Ų56.450%0.50328%0.284SS..Hα-helixtrans-64.5-42.5178.9-60.7-20000111.1A103 E109 Q110A103-D106 PolarHBondContact O-N 3.28Å; A103-D106 VanDerWaalsContact O-N 3.15Å; D106-E109 PolarHBondContact O-N 2.86Å; D106-Q110 WeakPolarHBondContact O-CB 3.4Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 2.95Å
107F95.1Very high96.2Very high31 Ų3157.1 Ų57.114%0.13629%0.287CS..Hα-helixtrans-61.5-44.7174.9-70.6-67.8000111.4V20 G21 A103 T104 A105 Q110 I111V20-F107 HydrophobicContact CB-CD1 4Å; V20-F107 HydrophobicContact CB-CG 4.31Å; V20-F107 HydrophobicContact CG2-CB 4.17Å; V20-F107 HydrophobicContact CG2-CG 4.39Å; G21-F107 VanDerWaalsContact C-CE2 3.43Å; G21-F107 VanDerWaalsContact C-CZ 3.44Å; G21-F107 VanDerWaalsContact CA-CE2 3.41Å; A103-F107 HydrophobicContact CB-CE2 4.3Å; A103-F107 WeakPolarHBondContact O-CD2 3.1Å; A103-F107 PolarHBondContact O-N 2.91Å; T104-F107 PolarHBondContact O-N 2.8Å; A105-F107 PolarHBondContact O-N 3.41Å; F107-Q110 PolarHBondContact O-N 3.01Å; F107-I111 WeakPolarHBondContact O-CB 3.45Å; F107-I111 WeakPolarHBondContact O-CD1 3.38Å; F107-I111 WeakPolarHBondContact O-CG1 3.49Å; F107-I111 PolarHBondContact O-N 3.34Å
108R96.5Very high95.8Very high13 Ų1359.5 Ų59.55%0.04930%0.298CS..Hα-helixtrans-59.4-50.9177.3178.665.6179.1176.45.7110.8T104 A105 Q110 I111 L112 E118 F122 W149T104-R108 WeakPolarHBondContact O-CB 3.22Å; T104-R108 PolarHBondContact O-N 2.82Å; A105-R108 WeakPolarHBondContact O-CB 3.28Å; A105-R108 PolarHBondContact O-N 3.18Å; R108-Q110 PolarHBondContact O-N 2.87Å; R108-I111 PolarHBondContact O-N 2.95Å; R108-L112 HydrophobicContact CG-CD1 4.05Å; R108-L112 HydrophobicContact CG-CG 4.43Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.8Å; R108-E118 PolarHBondContact NH2-O 3.27Å; R108-F122 HydrophobicContact CB-CE2 4.4Å; R108-F122 HydrophobicContact CB-CZ 4.2Å; R108-F122 VanDerWaalsContact NH1-CB 3.29Å; R108-W149 HydrophobicContact CB-CH2 4.08Å; R108-W149 HydrophobicContact CB-CZ2 4.29Å; R108-W149 HydrophobicContact CB-CZ3 4.24Å; R108-W149 HydrophobicContact CG-CD2 4.21Å; R108-W149 HydrophobicContact CG-CE3 4.31Å; R108-W149 HydrophobicContact CG-CZ2 4.45Å; R108-W149 HydrophobicContact CG-CZ3 4.46Å
109E95.8Very high95.5Very high126 Ų12660.7 Ų60.759%0.58930%0.304SS*.Hα-helixtrans-58.6-46.1180-171.9-172.7166.900111.7A105 D106 I111 L112 R113A105-E109 PolarHBondContact O-N 2.79Å; D106-E109 PolarHBondContact O-N 2.86Å; E109-I111 PolarHBondContact O-N 2.77Å; E109-L112 PolarHBondContact O-N 3.44Å; E109-R113 WeakPolarHBondContact O-CB 3.3Å; E109-R113 PolarHBondContact O-N 2.89Å
110Q93.9Very high95.4Very high45 Ų4553.5 Ų53.521%0.2127%0.271CS..Hα-helixtrans-63.9-41.6179.4-68.9172.914.500112.4F83 D106 F107 R108 V114F83-Q110 HydrophobicContact CE2-CB 3.87Å; D106-Q110 WeakPolarHBondContact O-CB 3.4Å; D106-Q110 WeakPolarHBondContact O-CG 3.44Å; D106-Q110 PolarHBondContact O-N 2.95Å; F107-Q110 PolarHBondContact O-N 3.01Å; R108-Q110 PolarHBondContact O-N 2.87Å; Q110-V114 WeakPolarHBondContact O-CG2 3.23Å; Q110-V114 PolarHBondContact O-N 2.84Å; Q110-V114 VanDerWaalsContact O-N 3.11Å
111I95.6Very high95.4Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-61.8-51176.2-71.5162.4000109.7V20 F83 F89 F107 R108 E109 R113 V114 K115 V120 F122V20-I111 HydrophobicContact CG1-CD1 4.32Å; V20-I111 HydrophobicContact CG2-CD1 3.99Å; F83-I111 HydrophobicContact CD1-CG1 4.19Å; F83-I111 HydrophobicContact CD2-CG1 4.05Å; F83-I111 HydrophobicContact CE1-CG1 4.17Å; F83-I111 HydrophobicContact CE2-CG1 4.01Å; F83-I111 HydrophobicContact CG-CG1 4.13Å; F83-I111 HydrophobicContact CZ-CG1 4.07Å; F89-I111 HydrophobicContact CB-CD1 4.03Å; F89-I111 HydrophobicContact CD1-CD1 3.46Å; F89-I111 VanDerWaalsContact CD1-CD1 3.46Å; F89-I111 HydrophobicContact CD1-CG1 3.87Å; F89-I111 HydrophobicContact CD1-CG2 4.26Å; F89-I111 HydrophobicContact CD2-CG2 3.8Å; F89-I111 HydrophobicContact CE1-CD1 4.06Å; F89-I111 HydrophobicContact CE1-CG1 3.92Å; F89-I111 HydrophobicContact CE1-CG2 4.15Å; F89-I111 HydrophobicContact CE2-CG2 3.71Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.35Å; F89-I111 HydrophobicContact CG-CG2 4.1Å; F89-I111 HydrophobicContact CZ-CG1 4.46Å; F89-I111 HydrophobicContact CZ-CG2 3.88Å; F107-I111 WeakPolarHBondContact O-CB 3.45Å; F107-I111 WeakPolarHBondContact O-CD1 3.38Å; F107-I111 WeakPolarHBondContact O-CG1 3.49Å; F107-I111 PolarHBondContact O-N 3.34Å; R108-I111 PolarHBondContact O-N 2.95Å; E109-I111 PolarHBondContact O-N 2.77Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.8Å; I111-V114 PolarHBondContact O-N 3.2Å; I111-V114 VanDerWaalsContact O-N 3.16Å; I111-K115 HydrophobicContact CG2-CG 3.92Å; I111-K115 VanDerWaalsContact O-CB 3.31Å; I111-K115 WeakPolarHBondContact O-CB 3.39Å; I111-K115 WeakPolarHBondContact O-CG 3.31Å; I111-K115 PolarHBondContact O-N 3.11Å; I111-V120 HydrophobicContact CG2-CG1 4.05Å; I111-F122 HydrophobicContact CD1-CD2 4.44Å; I111-F122 HydrophobicContact CD1-CE2 3.96Å
112L96Very high95.4Very high24 Ų2453.8 Ų53.813%0.12627%0.273CS..Hα-helixtrans-58.6-43.9-179.6-70.9-179000112.1R108 E109 V114 K115 E116 D117 E118 V120R108-L112 HydrophobicContact CG-CD1 4.05Å; R108-L112 HydrophobicContact CG-CG 4.43Å; R108-L112 WeakPolarHBondContact O-CB 3.46Å; R108-L112 VanDerWaalsContact O-CG 3.28Å; R108-L112 WeakPolarHBondContact O-CG 3.4Å; R108-L112 PolarHBondContact O-N 2.8Å; E109-L112 PolarHBondContact O-N 3.44Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.26Å; L112-K115 PolarHBondContact O-N 2.9Å; L112-E116 WeakPolarHBondContact O-CA 3.34Å; L112-E116 PolarHBondContact O-N 3.03Å; L112-D117 WeakPolarHBondContact CD2-O 3.22Å; L112-E118 VanDerWaalsContact CD1-OE2 3.27Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.5Å; L112-V120 HydrophobicContact CD2-CG1 3.92Å
113R95.3Very high95.4Very high140 Ų14051.2 Ų51.253%0.52825%0.252SS..Hα-helixtrans-59.5-41.8176.7-173.1-174.872.1-156.22.5112.6E109 I111E109-R113 WeakPolarHBondContact O-CB 3.3Å; E109-R113 PolarHBondContact O-N 2.89Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 2.8Å
114V95.2Very high95.5Very high19 Ų1950.3 Ų50.312%0.11525%0.245CC..Hα-helixtrans-79.4-33.3-178.3174.70000112.1D80 F83 R84 Q110 I111 L112D80-V114 HydrophobicContact CB-CG2 4.2Å; D80-V114 WeakPolarHBondContact O-CG1 3.43Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.25Å; F83-V114 HydrophobicContact CB-CB 4.1Å; F83-V114 HydrophobicContact CB-CG1 3.83Å; F83-V114 HydrophobicContact CD2-CG2 4.33Å; R84-V114 HydrophobicContact CB-CG1 4Å; Q110-V114 WeakPolarHBondContact O-CG2 3.23Å; Q110-V114 PolarHBondContact O-N 2.84Å; Q110-V114 VanDerWaalsContact O-N 3.11Å; I111-V114 PolarHBondContact O-N 3.2Å; I111-V114 VanDerWaalsContact O-N 3.16Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 3.26Å
115K94.6Very high95.6Very high61 Ų6150.3 Ų50.327%0.26525%0.245SC..Hα-helixtrans-80.1-25.7179.4-66.3-64.6-57.4-173.80112.9F83 G86 F89 I111 L112 D117 V120F83-K115 WeakPolarHBondContact O-CD 3.47Å; G86-K115 PolarHBondContact O-NZ 2.91Å; F89-K115 HydrophobicContact CE2-CD 4.17Å; F89-K115 HydrophobicContact CE2-CG 4.3Å; F89-K115 HydrophobicContact CZ-CD 4.2Å; F89-K115 HydrophobicContact CZ-CG 4.46Å; I111-K115 HydrophobicContact CG2-CG 3.92Å; I111-K115 VanDerWaalsContact O-CB 3.31Å; I111-K115 WeakPolarHBondContact O-CB 3.39Å; I111-K115 WeakPolarHBondContact O-CG 3.31Å; I111-K115 PolarHBondContact O-N 3.11Å; L112-K115 PolarHBondContact O-N 2.9Å; K115-D117 HydrophobicContact CB-CB 4.37Å; K115-D117 PolarHBondContact O-N 3.43Å; K115-V120 HydrophobicContact CD-CG2 4.37Å; K115-V120 HydrophobicContact CG-CG2 4.09Å
116E94.5Very high95.7Very high183 Ų18348.5 Ų48.586%0.85523%0.229SC*.THydrogen-bonded Turntrans5437-171.8-58178.3178.300111.8L112L112-E116 WeakPolarHBondContact O-CA 3.34Å; L112-E116 PolarHBondContact O-N 3.03Å
117D91.8Very high95.8Very high40 Ų4044.2 Ų44.221%0.21421%0.206CC..  trans-151.6110.1-173-179.114.8000112.1L112 K115 N119 V120 R178L112-D117 WeakPolarHBondContact CD2-O 3.22Å; K115-D117 HydrophobicContact CB-CB 4.37Å; K115-D117 PolarHBondContact O-N 3.43Å; D117-N119 PolarHBondContact O-N 2.56Å; D117-N119 PolarHBondContact OD1-N 3.41Å; D117-V120 PolarHBondContact O-N 3.26Å; D117-R178 IonicContact OD1-NH2 3.49Å; D117-R178 PolarHBondContact OD1-NH2 3.34Å; D117-R178 IonicContact OD2-CZ 3.94Å; D117-R178 IonicContact OD2-NE 2.72Å; D117-R178 IonicContact OD2-NH2 2.96Å; D117-R178 PolarHBondContact OD2-NH2 2.96Å
118E89.8Confident96Very high122 Ų12245.3 Ų45.357%0.5721%0.211SC*.THydrogen-bonded Turntrans-63.6-24.9177.1-66-59.3144.600113.5R108 L112R108-E118 PolarHBondContact NH2-O 3.27Å; L112-E118 VanDerWaalsContact CD1-OE2 3.27Å; L112-E118 WeakPolarHBondContact CD1-OE2 3.5Å
119N91.3Very high96.1Very high104 Ų10446 Ų4656%0.55622%0.219SC*.THydrogen-bonded Turntrans-101.724.6-176.1-61-62000112.6D117D117-N119 PolarHBondContact O-N 2.56Å; D117-N119 PolarHBondContact OD1-N 3.41Å
120V96.3Very high96.2Very high7 Ų742.8 Ų42.84%0.04221%0.205CC..  trans-59.3133.4173.163.50000110.2F89 I111 L112 K115 D117 F122F89-V120 HydrophobicContact CD2-CG2 3.79Å; F89-V120 HydrophobicContact CE2-CG2 3.61Å; I111-V120 HydrophobicContact CG2-CG1 4.05Å; L112-V120 HydrophobicContact CD2-CG1 3.92Å; K115-V120 HydrophobicContact CD-CG2 4.37Å; K115-V120 HydrophobicContact CG-CG2 4.09Å; D117-V120 PolarHBondContact O-N 3.26Å; V120-F122 WeakPolarHBondContact O-CB 3.26Å; V120-F122 PolarHBondContact O-N 3.29Å
121P98.3Very high96.3Very high9 Ų943.3 Ų43.36%0.05821%0.209CC..  trans-52.1121.4175.6-29.636.1000111.7E87 G88 F89 L171 E174 I175 R178E87-P121 WeakPolarHBondContact O-CD 3.35Å; E87-P121 WeakPolarHBondContact O-CG 3.39Å; G88-P121 CarbonylContact C-O 3.55Å; G88-P121 VanDerWaalsContact CA-O 3.23Å; G88-P121 WeakPolarHBondContact CA-O 3.47Å; F89-P121 PolarHBondContact N-O 3.01Å; P121-L171 HydrophobicContact CB-CD1 3.91Å; P121-E174 HydrophobicContact CB-CB 3.87Å; P121-E174 HydrophobicContact CG-CB 4.44Å; P121-I175 HydrophobicContact CB-CG1 3.83Å; P121-I175 HydrophobicContact CG-CG1 4.09Å; P121-R178 HydrophobicContact CG-CB 4.1Å; P121-R178 HydrophobicContact CG-CG 4.41Å
122F98.6Very high96.5Very high0 Ų048 Ų480%023%0.231CC..EExtended strand (participates in β ladder)trans-155.8130.1-166.8-172.1-76.6000110.2F89 C91 R108 I111 V120 W149 V151 E174F89-F122 HydrophobicContact CB-CD2 3.87Å; F89-F122 HydrophobicContact CB-CE2 4.38Å; F89-F122 WeakPolarHBondContact O-CA 3.48Å; C91-F122 HydrophobicContact CB-CE1 3.66Å; C91-F122 HydrophobicContact CB-CE2 3.82Å; C91-F122 HydrophobicContact CB-CZ 3.18Å; R108-F122 HydrophobicContact CB-CE2 4.4Å; R108-F122 HydrophobicContact CB-CZ 4.2Å; R108-F122 VanDerWaalsContact NH1-CB 3.29Å; I111-F122 HydrophobicContact CD1-CD2 4.44Å; I111-F122 HydrophobicContact CD1-CE2 3.96Å; V120-F122 WeakPolarHBondContact O-CB 3.26Å; V120-F122 PolarHBondContact O-N 3.29Å; F122-W149 HydrophobicContact CE1-CE3 4.02Å; F122-W149 HydrophobicContact CE1-CZ3 4.07Å; F122-W149 HydrophobicContact CZ-CE3 4.44Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; F122-V151 HydrophobicContact CB-CG1 4.04Å; F122-V151 HydrophobicContact CD1-CB 4.18Å; F122-V151 HydrophobicContact CD1-CG1 3.83Å; F122-V151 HydrophobicContact CD1-CG2 4.09Å; F122-V151 HydrophobicContact CE1-CG2 4.44Å; F122-V151 HydrophobicContact CG-CG1 4.31Å; F122-V151 WeakPolarHBondContact O-CB 3.06Å; F122-E174 PolarHBondContact N-OE2 3.05Å
123L98.6Very high96.6Very high0 Ų054.9 Ų54.90%027%0.268CS..EExtended strand (participates in β ladder)trans-122.4132.6174.1-123.472.5000110F89 L90 C91 V125 N152 V154 V167 D170 E174F89-L123 PolarHBondContact O-N 3Å; L90-L123 HydrophobicContact CD2-CB 3.59Å; L90-L123 HydrophobicContact CD2-CD2 4.18Å; C91-L123 PolarHBondContact N-O 3.17Å; L123-V125 HydrophobicContact CB-CG2 4.31Å; L123-N152 HydrophobicContact CD1-CB 3.83Å; L123-N152 HydrophobicContact CG-CB 4.24Å; L123-V154 HydrophobicContact CD2-CG2 4.14Å; L123-V167 HydrophobicContact CD2-CB 3.97Å; L123-V167 HydrophobicContact CD2-CG1 4.03Å; L123-D170 HydrophobicContact CD2-CB 4.35Å; L123-E174 VanDerWaalsContact CD1-OE1 3.22Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.18Å
124L98.8Very high96.7Very high0 Ų054.9 Ų54.90%027%0.272CS..EExtended strand (participates in β ladder)trans-88.2123.2170-176.761.2000109F93 F101 T104 R145 A146 W149 V151 N152 Y153 V154F93-L124 HydrophobicContact CD1-CD1 3.88Å; F93-L124 HydrophobicContact CD1-CG 4.44Å; F93-L124 HydrophobicContact CE1-CD1 3.93Å; F93-L124 HydrophobicContact CE1-CD2 4.5Å; F93-L124 HydrophobicContact CE1-CG 4Å; F101-L124 HydrophobicContact CE2-CD2 4.29Å; T104-L124 HydrophobicContact CG2-CD1 3.98Å; L124-R145 HydrophobicContact CD2-CG 4.46Å; L124-A146 HydrophobicContact CD2-CB 4.12Å; L124-W149 HydrophobicContact CD1-CZ3 4.15Å; L124-W149 HydrophobicContact CD2-CZ3 4.43Å; L124-V151 HydrophobicContact CB-CG2 4.32Å; L124-N152 PolarHBondContact N-O 3.27Å; L124-Y153 HydrophobicContact CB-CD2 4.35Å; L124-Y153 HydrophobicContact CD2-CD2 4.22Å; L124-Y153 HydrophobicContact CG-CD2 4.02Å; L124-Y153 WeakPolarHBondContact O-CA 3.46Å; L124-Y153 WeakPolarHBondContact O-CD2 3.26Å; L124-V154 PolarHBondContact O-N 2.8Å
125V98.9Very high96.8Very high0 Ų056.5 Ų56.50%028%0.276CS..EExtended strand (participates in β ladder)trans-123113.2-171.2-177.50000110.9L30 L90 C91 V92 F93 L123 N127 V154 T156 V167L30-V125 HydrophobicContact CD1-CG1 4.32Å; L90-V125 HydrophobicContact CD2-CG2 4.05Å; C91-V125 PolarHBondContact O-N 2.99Å; V92-V125 WeakPolarHBondContact CA-O 3.33Å; V92-V125 HydrophobicContact CG2-CB 4.29Å; F93-V125 VanDerWaalsContact CD1-O 3.26Å; F93-V125 WeakPolarHBondContact CD1-O 3.42Å; F93-V125 PolarHBondContact N-O 3.41Å; L123-V125 HydrophobicContact CB-CG2 4.31Å; V125-N127 PolarHBondContact O-N 2.96Å; V125-V154 WeakPolarHBondContact CA-O 3.19Å; V125-T156 HydrophobicContact CG1-CG2 3.68Å; V125-T156 VanDerWaalsContact CG1-OG1 3.3Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.26Å; V125-V167 HydrophobicContact CG1-CG1 4.33Å; V125-V167 HydrophobicContact CG2-CB 4.27Å; V125-V167 HydrophobicContact CG2-CG1 3.97Å
126G98.8Very high97Very high0 Ų059.1 Ų59.10%029%0.289CS..EExtended strand (participates in β ladder)trans-90.397172.800000110.5V154 E155 T156G126-V154 PolarHBondContact N-O 3.5Å; G126-E155 CarbonylContact O-C 3.36Å; G126-E155 WeakPolarHBondContact O-CA 3.38Å; G126-T156 PolarHBondContact O-N 2.85Å
127N98.7Very high97.2Very high4 Ų450.4 Ų50.42%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-84.6166.3-178.4-169.932.3000112.1V25 L30 V92 F93 I95 V125 T156 A158V25-N127 PolarHBondContact O-ND2 3.41Å; L30-N127 HydrophobicContact CD1-CB 4.29Å; V92-N127 HydrophobicContact CG1-CB 3.83Å; F93-N127 PolarHBondContact O-N 2.67Å; I95-N127 PolarHBondContact N-O 2.92Å; V125-N127 PolarHBondContact O-N 2.96Å; N127-T156 CarbonylContact C-O 3.5Å; N127-T156 VanDerWaalsContact CA-O 3.31Å; N127-T156 WeakPolarHBondContact CA-O 3.22Å; N127-T156 PolarHBondContact OD1-O 3.39Å; N127-T156 PolarHBondContact OD1-OG1 2.84Å; N127-A158 PolarHBondContact OD1-N 2.84Å
128K98.1Very high97.6Very high54 Ų5451 Ų5124%0.23526%0.255CS..  trans69.737.2-178-43.6-170.6-163.8171.40113.3G24 S94 I95 D130 L131 T156G24-K128 WeakPolarHBondContact O-CE 3.38Å; G24-K128 PolarHBondContact O-NZ 3.43Å; S94-K128 VanDerWaalsContact OG-CD 3.26Å; S94-K128 WeakPolarHBondContact OG-CD 3.13Å; S94-K128 WeakPolarHBondContact OG-CE 3.35Å; I95-K128 WeakPolarHBondContact CD1-O 3.4Å; I95-K128 WeakPolarHBondContact CG1-O 3.41Å; K128-D130 PolarHBondContact O-N 2.78Å; K128-D130 VanDerWaalsContact O-N 3.12Å; K128-L131 HydrophobicContact CB-CD1 4.12Å; K128-L131 HydrophobicContact CB-CG 4.36Å; K128-L131 HydrophobicContact CD-CD1 4.14Å; K128-L131 WeakPolarHBondContact O-CB 3.38Å; K128-L131 PolarHBondContact O-N 2.81Å; K128-T156 PolarHBondContact N-O 3.48Å
129S98.6Very high98Very high29 Ų2947.7 Ų47.720%0.20324%0.243CC..THydrogen-bonded Turntrans-61.9-14.5174.864.80000114.3L131 T156 S157S129-L131 PolarHBondContact O-N 2.94Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 PolarHBondContact OG-O 3.13Å; S129-S157 WeakPolarHBondContact OG-CB 3.44Å
130D98.3Very high98.3Very high58 Ų5849.4 Ų49.431%0.3125%0.248SC..THydrogen-bonded Turntrans-71.2-13.5169.657.5-75.2000113.8K128 S157 K159 T160K128-D130 PolarHBondContact O-N 2.78Å; K128-D130 VanDerWaalsContact O-N 3.12Å; D130-S157 VanDerWaalsContact CG-OG 3.24Å; D130-S157 VanDerWaalsContact OD1-CB 3.22Å; D130-S157 WeakPolarHBondContact OD1-CB 3.22Å; D130-S157 PolarHBondContact OD1-OG 3.16Å; D130-K159 WeakPolarHBondContact OD2-CD 3.31Å; D130-T160 HydrophobicContact CB-CG2 4Å
131L97.4Very high98.4Very high55 Ų5552.8 Ų52.829%0.28826%0.264SS..  trans-104.245.5-179.8-58.4-178000112.2T96 K128 S129 D133 K134T96-L131 HydrophobicContact CG2-CB 3.65Å; T96-L131 HydrophobicContact CG2-CD1 4.11Å; K128-L131 HydrophobicContact CB-CD1 4.12Å; K128-L131 HydrophobicContact CB-CG 4.36Å; K128-L131 HydrophobicContact CD-CD1 4.14Å; K128-L131 WeakPolarHBondContact O-CB 3.38Å; K128-L131 PolarHBondContact O-N 2.81Å; S129-L131 PolarHBondContact O-N 2.94Å; L131-D133 VanDerWaalsContact C-N 3.27Å; L131-D133 PolarHBondContact O-N 3.34Å; L131-K134 PolarHBondContact O-N 3.15Å
132E97.9Very high98.4Very high98 Ų9852.4 Ų52.446%0.45826%0.261SS..G310 helixtrans-55.7-39.3-176.4-169.361-15200112.9K134 R135E132-K134 PolarHBondContact O-N 2.98Å; E132-R135 VanDerWaalsContact CD-NE 3.28Å; E132-R135 WeakPolarHBondContact O-CB 3.26Å; E132-R135 PolarHBondContact O-N 2.84Å; E132-R135 IonicContact OE1-CZ 3.59Å; E132-R135 IonicContact OE1-NE 2.76Å; E132-R135 PolarHBondContact OE1-NE 2.93Å; E132-R135 IonicContact OE1-NH2 3.57Å; E132-R135 IonicContact OE2-CZ 3.35Å; E132-R135 IonicContact OE2-NE 3.14Å; E132-R135 PolarHBondContact OE2-NE 2.88Å; E132-R135 VanDerWaalsContact OE2-NE 3.14Å; E132-R135 IonicContact OE2-NH2 2.72Å; E132-R135 PolarHBondContact OE2-NH2 2.85Å
133D98Very high98.4Very high170 Ų17057.6 Ų57.691%0.90928%0.283SS*.G310 helixtrans-62.5-16.3178.3-59-39.6000113.6L131L131-D133 VanDerWaalsContact C-N 3.27Å; L131-D133 PolarHBondContact O-N 3.34Å
134K98.1Very high98.4Very high139 Ų13961.2 Ų61.260%0.60430%0.303SS*.G310 helixtrans-109.411.4179.5-60.3-178.2-178.61780112.3T96 L131 E132 Q136T96-K134 WeakPolarHBondContact CA-O 3.14Å; T96-K134 WeakPolarHBondContact CB-O 3.36Å; T96-K134 HydrophobicContact CG2-CB 3.87Å; L131-K134 PolarHBondContact O-N 3.15Å; E132-K134 PolarHBondContact O-N 2.98Å; K134-Q136 PolarHBondContact O-N 3.19Å
135R98.6Very high98.4Very high53 Ų5363.4 Ų63.420%0.231%0.311CS..  trans-59.6130.1-178-179.3179.8-71.8-88.54.7111E132 V137 E155E132-R135 VanDerWaalsContact CD-NE 3.28Å; E132-R135 WeakPolarHBondContact O-CB 3.26Å; E132-R135 PolarHBondContact O-N 2.84Å; E132-R135 IonicContact OE1-CZ 3.59Å; E132-R135 IonicContact OE1-NE 2.76Å; E132-R135 PolarHBondContact OE1-NE 2.93Å; E132-R135 IonicContact OE1-NH2 3.57Å; E132-R135 IonicContact OE2-CZ 3.35Å; E132-R135 IonicContact OE2-NE 3.14Å; E132-R135 PolarHBondContact OE2-NE 2.88Å; E132-R135 VanDerWaalsContact OE2-NE 3.14Å; E132-R135 IonicContact OE2-NH2 2.72Å; E132-R135 PolarHBondContact OE2-NH2 2.85Å; R135-V137 VanDerWaalsContact CD-O 3.26Å; R135-V137 WeakPolarHBondContact CD-O 3.21Å; R135-V137 WeakPolarHBondContact CG-O 3.22Å; R135-V137 PolarHBondContact NH1-O 3.44Å; R135-E155 IonicContact CZ-OE1 3.44Å; R135-E155 IonicContact CZ-OE2 3.78Å; R135-E155 IonicContact NH1-OE1 2.76Å; R135-E155 PolarHBondContact NH1-OE1 2.91Å; R135-E155 IonicContact NH1-OE2 3.85Å; R135-E155 IonicContact NH2-OE1 3.23Å; R135-E155 PolarHBondContact NH2-OE1 2.85Å; R135-E155 IonicContact NH2-OE2 2.82Å; R135-E155 PolarHBondContact NH2-OE2 3.35Å
136Q98.6Very high98.3Very high117 Ų11763.5 Ų63.555%0.54731%0.312SS..  trans-114.6-23171.2-63-175.96.900112.1I95 T96 L98 K134I95-Q136 PolarHBondContact O-N 3.35Å; T96-Q136 PolarHBondContact O-NE2 3.01Å; T96-Q136 VanDerWaalsContact O-NE2 3.12Å; T96-Q136 PolarHBondContact O-OE1 3.14Å; L98-Q136 HydrophobicContact CB-CB 4.34Å; L98-Q136 VanDerWaalsContact N-OE1 3.09Å; K134-Q136 PolarHBondContact O-N 3.19Å
137V98.6Very high98.3Very high0 Ų069 Ų690%034%0.341CS..SBendtrans-108.5118.2179.7-175.60000109.2F93 I95 L98 F101 R135 A142F93-V137 HydrophobicContact CD2-CG2 4.43Å; F93-V137 HydrophobicContact CE2-CB 4.01Å; F93-V137 HydrophobicContact CE2-CG1 3.79Å; F93-V137 HydrophobicContact CE2-CG2 4.15Å; F93-V137 HydrophobicContact CZ-CG1 4.24Å; I95-V137 PolarHBondContact O-N 3.01Å; L98-V137 HydrophobicContact CD1-CG2 4.03Å; F101-V137 HydrophobicContact CB-CG1 4.27Å; F101-V137 HydrophobicContact CB-CG2 3.65Å; F101-V137 HydrophobicContact CD1-CG1 3.82Å; F101-V137 HydrophobicContact CD1-CG2 4.32Å; F101-V137 HydrophobicContact CD2-CG1 4.05Å; F101-V137 HydrophobicContact CE1-CG1 4.09Å; F101-V137 HydrophobicContact CE2-CG1 4.3Å; F101-V137 HydrophobicContact CG-CG1 3.79Å; F101-V137 HydrophobicContact CG-CG2 4.09Å; F101-V137 HydrophobicContact CZ-CG1 4.32Å; R135-V137 VanDerWaalsContact CD-O 3.26Å; R135-V137 WeakPolarHBondContact CD-O 3.21Å; R135-V137 WeakPolarHBondContact CG-O 3.22Å; R135-V137 PolarHBondContact NH1-O 3.44Å; V137-A142 HydrophobicContact CG1-CB 4.29Å
138S98.5Very high98.3Very high51 Ų5176.2 Ų76.236%0.35738%0.375SS..  trans-72.3149.3179.574.30000111.5E140 E141 A142S138-E140 PolarHBondContact O-N 2.82Å; S138-E141 PolarHBondContact O-N 2.76Å; S138-E141 WeakPolarHBondContact OG-CB 3.45Å; S138-E141 PolarHBondContact OG-N 2.66Å; S138-E141 VanDerWaalsContact OG-N 3.08Å; S138-A142 PolarHBondContact O-N 2.93Å; S138-A142 VanDerWaalsContact O-N 3.14Å
139V98.3Very high98.3Very high53 Ų5376.1 Ų76.132%0.32137%0.373SS..Hα-helixtrans-57.6-38.7174.6178.80000110.9K143 Y153 E155V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.33Å; V139-K143 WeakPolarHBondContact O-CB 3.41Å; V139-K143 VanDerWaalsContact O-CG 3.26Å; V139-K143 WeakPolarHBondContact O-CG 3.18Å; V139-K143 PolarHBondContact O-N 2.94Å; V139-Y153 HydrophobicContact CG1-CE1 4.38Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.39Å
140E98.4Very high98.2Very high140 Ų14081.2 Ų81.265%0.65440%0.398SS*.Hα-helixtrans-64-47.7179.7-177.6177.7-178.700111.6S138 A142 K143 N144S138-E140 PolarHBondContact O-N 2.82Å; E140-A142 PolarHBondContact O-N 2.92Å; E140-K143 PolarHBondContact O-N 3.27Å; E140-N144 WeakPolarHBondContact O-CB 3.31Å; E140-N144 PolarHBondContact O-N 2.82Å; E140-N144 PolarHBondContact O-ND2 3.23Å
141E98Very high98.2Very high79 Ų7979.3 Ų79.337%0.36939%0.388SS..Hα-helixtrans-61.3-44.4178.8-173-174.7178.300112F101 S138 N144 R145F101-E141 HydrophobicContact CE1-CG 3.75Å; F101-E141 WeakPolarHBondContact CE1-OE1 3.44Å; F101-E141 HydrophobicContact CZ-CG 4.19Å; S138-E141 PolarHBondContact O-N 2.76Å; S138-E141 WeakPolarHBondContact OG-CB 3.45Å; S138-E141 PolarHBondContact OG-N 2.66Å; S138-E141 VanDerWaalsContact OG-N 3.08Å; E141-N144 PolarHBondContact O-N 3.48Å; E141-R145 PolarHBondContact O-N 3.34Å; E141-R145 VanDerWaalsContact O-N 3.1Å
142A98.5Very high98.2Very high0 Ų081 Ų810%040%0.398CS..Hα-helixtrans-66.6-40.1178.100000112.7F93 F101 V137 S138 E140 R145 A146 Y153F93-A142 HydrophobicContact CZ-CB 3.94Å; F101-A142 HydrophobicContact CE2-CB 3.98Å; F101-A142 HydrophobicContact CZ-CB 4.28Å; V137-A142 HydrophobicContact CG1-CB 4.29Å; S138-A142 PolarHBondContact O-N 2.93Å; S138-A142 VanDerWaalsContact O-N 3.14Å; E140-A142 PolarHBondContact O-N 2.92Å; A142-R145 PolarHBondContact O-N 3.08Å; A142-A146 PolarHBondContact O-N 2.94Å; A142-Y153 HydrophobicContact CB-CD1 4.16Å; A142-Y153 HydrophobicContact CB-CD2 4.06Å; A142-Y153 HydrophobicContact CB-CE1 3.68Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.31Å
143K98.5Very high98.3Very high109 Ų10978 Ų7847%0.47438%0.382SS..Hα-helixtrans-64.1-47173.9-77.6180179.1176.50112V139 E140 R145 A146 D147 Y153V139-K143 HydrophobicContact CG1-CD 3.93Å; V139-K143 HydrophobicContact CG1-CG 4.33Å; V139-K143 WeakPolarHBondContact O-CB 3.41Å; V139-K143 VanDerWaalsContact O-CG 3.26Å; V139-K143 WeakPolarHBondContact O-CG 3.18Å; V139-K143 PolarHBondContact O-N 2.94Å; E140-K143 PolarHBondContact O-N 3.27Å; K143-R145 PolarHBondContact O-N 3.46Å; K143-A146 WeakPolarHBondContact O-CB 3.39Å; K143-A146 PolarHBondContact O-N 3.12Å; K143-D147 PolarHBondContact O-N 2.87Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.38Å; K143-Y153 HydrophobicContact CG-CG 4.43Å
144N98.7Very high98.3Very high76 Ų7670.4 Ų70.441%0.40634%0.342SS..Hα-helixtrans-57.2-39.7178.2-73.7-21.7000111.5E140 E141 Q148E140-N144 WeakPolarHBondContact O-CB 3.31Å; E140-N144 PolarHBondContact O-N 2.82Å; E140-N144 PolarHBondContact O-ND2 3.23Å; E141-N144 PolarHBondContact O-N 3.48Å; N144-Q148 VanDerWaalsContact O-CG 3.25Å; N144-Q148 WeakPolarHBondContact O-CG 3.38Å; N144-Q148 PolarHBondContact O-N 2.87Å
145R98.4Very high98.4Very high47 Ų4765.5 Ų65.518%0.17732%0.321CS..Hα-helixtrans-66.6-43.8174.3-176.5175.2-66.1-176.94.4112.5F101 T104 L124 E141 A142 K143 D147 Q148 W149F101-R145 HydrophobicContact CE2-CB 4.5Å; F101-R145 HydrophobicContact CZ-CB 4.01Å; F101-R145 HydrophobicContact CZ-CG 4.47Å; F101-R145 VanDerWaalsContact CZ-NE 3.27Å; F101-R145 PolarHBondContact O-NH1 2.86Å; T104-R145 PolarHBondContact OG1-NH1 3.18Å; L124-R145 HydrophobicContact CD2-CG 4.46Å; E141-R145 PolarHBondContact O-N 3.34Å; E141-R145 VanDerWaalsContact O-N 3.1Å; A142-R145 PolarHBondContact O-N 3.08Å; K143-R145 PolarHBondContact O-N 3.46Å; R145-D147 VanDerWaalsContact C-N 3.31Å; R145-D147 PolarHBondContact O-N 3Å; R145-Q148 WeakPolarHBondContact O-CB 2.85Å; R145-Q148 PolarHBondContact O-N 3.3Å; R145-W149 HydrophobicContact CG-CD2 4.03Å; R145-W149 HydrophobicContact CG-CE3 4.27Å; R145-W149 HydrophobicContact CG-CH2 4Å; R145-W149 HydrophobicContact CG-CZ2 3.72Å; R145-W149 HydrophobicContact CG-CZ3 4.26Å; R145-W149 PolarHBondContact O-N 2.98Å
146A98.4Very high98.4Very high1 Ų163 Ų631%0.00831%0.312CS..Hα-helixtrans-61.8-40.8177.700000111.7L124 A142 K143 W149 N150 V151L124-A146 HydrophobicContact CD2-CB 4.12Å; A142-A146 PolarHBondContact O-N 2.94Å; K143-A146 WeakPolarHBondContact O-CB 3.39Å; K143-A146 PolarHBondContact O-N 3.12Å; A146-W149 CarbonylContact O-C 3.57Å; A146-W149 PolarHBondContact O-N 3.15Å; A146-N150 PolarHBondContact O-N 3.43Å; A146-V151 CarbonylContact C-O 3.56Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.31Å; A146-V151 PolarHBondContact O-N 2.98Å
147D98.3Very high98.4Very high117 Ų11757.4 Ų57.463%0.62629%0.286SS*.Hα-helixtrans-62.9-42.4174.9-67.9-22.5000111.7K143 R145 W149 N150K143-D147 PolarHBondContact O-N 2.87Å; R145-D147 VanDerWaalsContact C-N 3.31Å; R145-D147 PolarHBondContact O-N 3Å; D147-W149 VanDerWaalsContact C-N 3.25Å; D147-W149 PolarHBondContact O-N 3.03Å; D147-N150 PolarHBondContact O-N 3.01Å; D147-N150 VanDerWaalsContact O-N 3.08Å
148Q97.8Very high98.3Very high154 Ų15457.5 Ų57.572%0.7229%0.287SS*.Hα-helixtrans-60.4-35.3174.3-74.2169.116.500112.7N144 R145 N150N144-Q148 VanDerWaalsContact O-CG 3.25Å; N144-Q148 WeakPolarHBondContact O-CG 3.38Å; N144-Q148 PolarHBondContact O-N 2.87Å; R145-Q148 WeakPolarHBondContact O-CB 2.85Å; R145-Q148 PolarHBondContact O-N 3.3Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
149W97.8Very high98.2Very high52 Ų5260.3 Ų60.320%0.19729%0.293CS..Hα-helixtrans-87.2-4.2177.4-63.8-9.4000113.5T104 A105 R108 F122 L124 R145 A146 D147 V151T104-W149 WeakPolarHBondContact OG1-CH2 3.43Å; A105-W149 HydrophobicContact CB-CZ2 4.17Å; R108-W149 HydrophobicContact CB-CH2 4.08Å; R108-W149 HydrophobicContact CB-CZ2 4.29Å; R108-W149 HydrophobicContact CB-CZ3 4.24Å; R108-W149 HydrophobicContact CG-CD2 4.21Å; R108-W149 HydrophobicContact CG-CE3 4.31Å; R108-W149 HydrophobicContact CG-CZ2 4.45Å; R108-W149 HydrophobicContact CG-CZ3 4.46Å; F122-W149 HydrophobicContact CE1-CE3 4.02Å; F122-W149 HydrophobicContact CE1-CZ3 4.07Å; F122-W149 HydrophobicContact CZ-CE3 4.44Å; F122-W149 HydrophobicContact CZ-CZ3 4.19Å; L124-W149 HydrophobicContact CD1-CZ3 4.15Å; L124-W149 HydrophobicContact CD2-CZ3 4.43Å; R145-W149 HydrophobicContact CG-CD2 4.03Å; R145-W149 HydrophobicContact CG-CE3 4.27Å; R145-W149 HydrophobicContact CG-CH2 4Å; R145-W149 HydrophobicContact CG-CZ2 3.72Å; R145-W149 HydrophobicContact CG-CZ3 4.26Å; R145-W149 PolarHBondContact O-N 2.98Å; A146-W149 CarbonylContact O-C 3.57Å; A146-W149 PolarHBondContact O-N 3.15Å; D147-W149 VanDerWaalsContact C-N 3.25Å; D147-W149 PolarHBondContact O-N 3.03Å; W149-V151 VanDerWaalsContact C-N 3.32Å; W149-V151 HydrophobicContact CB-CG1 4.29Å; W149-V151 HydrophobicContact CB-CG2 3.94Å; W149-V151 HydrophobicContact CE3-CG2 4.36Å; W149-V151 PolarHBondContact O-N 2.93Å
150N97.5Very high98.1Very high136 Ų13661.9 Ų61.973%0.72730%0.303SS*.THydrogen-bonded Turntrans5445.9-172.9-17152.3000112.6A146 D147 Q148A146-N150 PolarHBondContact O-N 3.43Å; D147-N150 PolarHBondContact O-N 3.01Å; D147-N150 VanDerWaalsContact O-N 3.08Å; Q148-N150 VanDerWaalsContact C-N 3.33Å
151V98.2Very high98.1Very high19 Ų1958.4 Ų58.412%0.11528%0.283CS..  trans-127.7162.4177.9-590000110.7F122 L124 A146 W149F122-V151 HydrophobicContact CB-CG1 4.04Å; F122-V151 HydrophobicContact CD1-CB 4.18Å; F122-V151 HydrophobicContact CD1-CG1 3.83Å; F122-V151 HydrophobicContact CD1-CG2 4.09Å; F122-V151 HydrophobicContact CE1-CG2 4.44Å; F122-V151 HydrophobicContact CG-CG1 4.31Å; F122-V151 WeakPolarHBondContact O-CB 3.06Å; L124-V151 HydrophobicContact CB-CG2 4.32Å; A146-V151 CarbonylContact C-O 3.56Å; A146-V151 HydrophobicContact CB-CG2 4.06Å; A146-V151 WeakPolarHBondContact CB-O 3.31Å; A146-V151 PolarHBondContact O-N 2.98Å; W149-V151 VanDerWaalsContact C-N 3.32Å; W149-V151 HydrophobicContact CB-CG1 4.29Å; W149-V151 HydrophobicContact CB-CG2 3.94Å; W149-V151 HydrophobicContact CE3-CG2 4.36Å; W149-V151 PolarHBondContact O-N 2.93Å
152N98Very high98.1Very high91 Ų9156.4 Ų56.449%0.48728%0.28SS..EExtended strand (participates in β ladder)trans-79.6142.1175-64.8-60.8000111.4L123 L124 E174L123-N152 HydrophobicContact CD1-CB 3.83Å; L123-N152 HydrophobicContact CG-CB 4.24Å; L124-N152 PolarHBondContact N-O 3.27Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å; N152-E174 VanDerWaalsContact ND2-OE1 3.11Å
153Y98.8Very high98.1Very high33 Ų3359.9 Ų59.913%0.12930%0.299CS..EExtended strand (participates in β ladder)trans-103.8131.3166.8176.6-121.8000111.1F93 L124 V139 A142 K143 E155F93-Y153 HydrophobicContact CE1-CD2 4.46Å; F93-Y153 AromaticContact CE1-CE2 3.7Å; F93-Y153 HydrophobicContact CE1-CE2 3.7Å; F93-Y153 AromaticContact CZ-CE2 3.66Å; F93-Y153 HydrophobicContact CZ-CE2 3.66Å; L124-Y153 HydrophobicContact CB-CD2 4.35Å; L124-Y153 HydrophobicContact CD2-CD2 4.22Å; L124-Y153 HydrophobicContact CG-CD2 4.02Å; L124-Y153 WeakPolarHBondContact O-CA 3.46Å; L124-Y153 WeakPolarHBondContact O-CD2 3.26Å; V139-Y153 HydrophobicContact CG1-CE1 4.38Å; A142-Y153 HydrophobicContact CB-CD1 4.16Å; A142-Y153 HydrophobicContact CB-CD2 4.06Å; A142-Y153 HydrophobicContact CB-CE1 3.68Å; A142-Y153 HydrophobicContact CB-CE2 3.59Å; A142-Y153 HydrophobicContact CB-CG 4.31Å; K143-Y153 HydrophobicContact CG-CD1 3.64Å; K143-Y153 HydrophobicContact CG-CE1 4.38Å; K143-Y153 HydrophobicContact CG-CG 4.43Å; Y153-E155 HydrophobicContact CE1-CG 3.67Å; Y153-E155 HydrophobicContact CE2-CG 4.29Å; Y153-E155 VanDerWaalsContact CZ-CG 3.41Å; Y153-E155 VanDerWaalsContact OH-CD 3.3Å; Y153-E155 WeakPolarHBondContact OH-CG 3.43Å; Y153-E155 PolarHBondContact OH-OE1 2.91Å
154V98.8Very high98.1Very high12 Ų1254.7 Ų54.77%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-135.8129.8175.4-175.20000110.1L123 L124 V125 G126 T156 N163 K166 V167L123-V154 HydrophobicContact CD2-CG2 4.14Å; L124-V154 PolarHBondContact O-N 2.8Å; V125-V154 WeakPolarHBondContact CA-O 3.19Å; G126-V154 PolarHBondContact N-O 3.5Å; V154-T156 HydrophobicContact CG1-CG2 4.29Å; V154-N163 HydrophobicContact CG1-CB 3.74Å; V154-K166 HydrophobicContact CG1-CD 4.34Å; V154-V167 HydrophobicContact CB-CG1 3.66Å; V154-V167 HydrophobicContact CG1-CG1 3.58Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å
155E98.8Very high98.1Very high35 Ų3553.8 Ų53.816%0.16427%0.272CS..EExtended strand (participates in β ladder)trans-87134.6169.4-70.3-166.717000111.3G126 R135 V139 Y153 N163G126-E155 CarbonylContact O-C 3.36Å; G126-E155 WeakPolarHBondContact O-CA 3.38Å; R135-E155 IonicContact CZ-OE1 3.44Å; R135-E155 IonicContact CZ-OE2 3.78Å; R135-E155 IonicContact NH1-OE1 2.76Å; R135-E155 PolarHBondContact NH1-OE1 2.91Å; R135-E155 IonicContact NH1-OE2 3.85Å; R135-E155 IonicContact NH2-OE1 3.23Å; R135-E155 PolarHBondContact NH2-OE1 2.85Å; R135-E155 IonicContact NH2-OE2 2.82Å; R135-E155 PolarHBondContact NH2-OE2 3.35Å; V139-E155 WeakPolarHBondContact CG2-OE1 3.39Å; Y153-E155 HydrophobicContact CE1-CG 3.67Å; Y153-E155 HydrophobicContact CE2-CG 4.29Å; Y153-E155 VanDerWaalsContact CZ-CG 3.41Å; Y153-E155 VanDerWaalsContact OH-CD 3.3Å; Y153-E155 WeakPolarHBondContact OH-CG 3.43Å; Y153-E155 PolarHBondContact OH-OE1 2.91Å; E155-N163 VanDerWaalsContact O-CB 3.31Å; E155-N163 WeakPolarHBondContact O-CB 3.14Å; E155-N163 PolarHBondContact O-ND2 3.17Å
156T98.9Very high98.1Very high0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans-127.4158.4-177.959.30000111.5V125 G126 N127 K128 S129 V154 A162 N163 V167V125-T156 HydrophobicContact CG1-CG2 3.68Å; V125-T156 VanDerWaalsContact CG1-OG1 3.3Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.26Å; G126-T156 PolarHBondContact O-N 2.85Å; N127-T156 CarbonylContact C-O 3.5Å; N127-T156 VanDerWaalsContact CA-O 3.31Å; N127-T156 WeakPolarHBondContact CA-O 3.22Å; N127-T156 PolarHBondContact OD1-O 3.39Å; N127-T156 PolarHBondContact OD1-OG1 2.84Å; K128-T156 PolarHBondContact N-O 3.48Å; S129-T156 PolarHBondContact N-O 3.03Å; S129-T156 PolarHBondContact OG-O 3.13Å; V154-T156 HydrophobicContact CG1-CG2 4.29Å; T156-A162 VanDerWaalsContact CA-O 3.28Å; T156-A162 WeakPolarHBondContact CA-O 3.26Å; T156-N163 HydrophobicContact CG2-CB 3.91Å; T156-V167 HydrophobicContact CG2-CG1 3.54Å; T156-V167 HydrophobicContact CG2-CG2 4.1Å
157S98.4Very high98.1Very high0 Ų056 Ų560%028%0.283CS..  trans-133.8108.7166.2167.20000108.1S129 D130 K159 T160 R161 A162S129-S157 WeakPolarHBondContact OG-CB 3.44Å; D130-S157 VanDerWaalsContact CG-OG 3.24Å; D130-S157 VanDerWaalsContact OD1-CB 3.22Å; D130-S157 WeakPolarHBondContact OD1-CB 3.22Å; D130-S157 PolarHBondContact OD1-OG 3.16Å; S157-K159 PolarHBondContact O-N 2.98Å; S157-K159 PolarHBondContact OG-N 3.37Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact O-N 2.82Å; S157-T160 PolarHBondContact OG-N 3.4Å; S157-T160 PolarHBondContact OG-OG1 2.58Å; S157-R161 CarbonylContact O-C 3.5Å; S157-R161 VanDerWaalsContact O-CA 3.26Å; S157-R161 WeakPolarHBondContact O-CA 3.33Å; S157-R161 PolarHBondContact O-N 2.92Å; S157-A162 PolarHBondContact N-O 2.95Å; S157-A162 PolarHBondContact O-N 3.44Å
158A97Very high98.1Very high3 Ų350.5 Ų50.53%0.02525%0.253CS..THydrogen-bonded Turntrans-58.4-29.4171.300000111.9A29 L30 Q33 F39 N127A29-A158 HydrophobicContact CB-CB 3.7Å; L30-A158 HydrophobicContact CD2-CB 3.89Å; L30-A158 HydrophobicContact CG-CB 4.17Å; Q33-A158 WeakPolarHBondContact CG-O 3.45Å; Q33-A158 PolarHBondContact NE2-O 3.16Å; F39-A158 HydrophobicContact CD2-CB 4.23Å; F39-A158 WeakPolarHBondContact CD2-O 3.47Å; F39-A158 HydrophobicContact CE2-CB 4.18Å; N127-A158 PolarHBondContact OD1-N 2.84Å
159K96.3Very high98.2Very high110 Ų11045.2 Ų45.248%0.47823%0.228SC..THydrogen-bonded Turntrans-71-47.5179.7-176.8174.1-174.9168.40113F39 D130 S157F39-K159 HydrophobicContact CD1-CB 4.3Å; F39-K159 HydrophobicContact CD1-CG 4.07Å; F39-K159 HydrophobicContact CD2-CB 4.4Å; F39-K159 HydrophobicContact CE1-CB 3.97Å; F39-K159 HydrophobicContact CE1-CD 4.23Å; F39-K159 HydrophobicContact CE1-CG 3.81Å; F39-K159 HydrophobicContact CE2-CB 4.13Å; F39-K159 HydrophobicContact CG-CB 4.49Å; F39-K159 HydrophobicContact CZ-CB 3.91Å; F39-K159 HydrophobicContact CZ-CG 4.25Å; D130-K159 WeakPolarHBondContact OD2-CD 3.31Å; S157-K159 PolarHBondContact O-N 2.98Å; S157-K159 PolarHBondContact OG-N 3.37Å
160T97.3Very high98.2Very high86 Ų8644.2 Ų44.253%0.52823%0.226SC..THydrogen-bonded Turntrans-96.1-1.1-176.163.80000113.2D130 S157 A162D130-T160 HydrophobicContact CB-CG2 4Å; S157-T160 WeakPolarHBondContact CB-OG1 3.37Å; S157-T160 PolarHBondContact O-N 2.82Å; S157-T160 PolarHBondContact OG-N 3.4Å; S157-T160 PolarHBondContact OG-OG1 2.58Å; T160-A162 PolarHBondContact O-N 3.45Å; T160-A162 WeakPolarHBondContact OG1-CB 3.34Å; T160-A162 PolarHBondContact OG1-N 2.92Å
161R97.6Very high98.3Very high66 Ų6637.7 Ų37.725%0.24919%0.191CC..  trans63.19.1-170.5-154.1-166.7175.983.6-4.7114.4Q33 D37 S157 N163 V164 D165Q33-R161 HydrophobicContact CG-CB 4.37Å; Q33-R161 HydrophobicContact CG-CG 3.93Å; Q33-R161 PolarHBondContact O-NH1 2.71Å; D37-R161 IonicContact OD1-CZ 3.71Å; D37-R161 IonicContact OD1-NH1 2.66Å; D37-R161 PolarHBondContact OD1-NH1 3.48Å; D37-R161 IonicContact OD1-NH2 3.62Å; D37-R161 PolarHBondContact OD1-NH2 3.34Å; S157-R161 CarbonylContact O-C 3.5Å; S157-R161 VanDerWaalsContact O-CA 3.26Å; S157-R161 WeakPolarHBondContact O-CA 3.33Å; S157-R161 PolarHBondContact O-N 2.92Å; R161-N163 PolarHBondContact O-N 2.98Å; R161-N163 VanDerWaalsContact O-N 3.13Å; R161-V164 HydrophobicContact CG-CB 4.11Å; R161-V164 HydrophobicContact CG-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.45Å; R161-D165 IonicContact CZ-OD1 3.8Å; R161-D165 IonicContact CZ-OD2 3.49Å; R161-D165 IonicContact NE-OD1 3.2Å; R161-D165 IonicContact NE-OD2 3.46Å; R161-D165 PolarHBondContact NE-OD2 3.32Å; R161-D165 IonicContact NH2-OD1 3.49Å; R161-D165 PolarHBondContact NH2-OD1 3.29Å; R161-D165 IonicContact NH2-OD2 2.73Å; R161-D165 PolarHBondContact NH2-OD2 3.45Å
162A98.6Very high98.3Very high37 Ų3736.8 Ų36.831%0.30619%0.186SC..THydrogen-bonded Turntrans-57.9123.2178.700000110.7T156 S157 T160 V164T156-A162 VanDerWaalsContact CA-O 3.28Å; T156-A162 WeakPolarHBondContact CA-O 3.26Å; S157-A162 PolarHBondContact N-O 2.95Å; S157-A162 PolarHBondContact O-N 3.44Å; T160-A162 PolarHBondContact O-N 3.45Å; T160-A162 WeakPolarHBondContact OG1-CB 3.34Å; T160-A162 PolarHBondContact OG1-N 2.92Å; A162-V164 PolarHBondContact O-N 3.29Å
163N98.6Very high98.3Very high74 Ų7436.5 Ų36.540%0.39618%0.178SC..THydrogen-bonded Turntrans5612.6179.5-63.5-39.5000116.5V154 E155 T156 R161 K166 V167V154-N163 HydrophobicContact CG1-CB 3.74Å; E155-N163 VanDerWaalsContact O-CB 3.31Å; E155-N163 WeakPolarHBondContact O-CB 3.14Å; E155-N163 PolarHBondContact O-ND2 3.17Å; T156-N163 HydrophobicContact CG2-CB 3.91Å; R161-N163 PolarHBondContact O-N 2.98Å; R161-N163 VanDerWaalsContact O-N 3.13Å; N163-K166 HydrophobicContact CB-CB 4.19Å; N163-K166 WeakPolarHBondContact O-CB 3.41Å; N163-K166 PolarHBondContact O-N 3.12Å; N163-V167 PolarHBondContact O-N 3.13Å; N163-V167 VanDerWaalsContact O-N 3.14Å
164V98.5Very high98.3Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-62.7-53.4-180175.80000110.4L30 Q33 F34 R161 A162 K166 V167 F168L30-V164 HydrophobicContact CD2-CG1 4.47Å; L30-V164 HydrophobicContact CD2-CG2 3.77Å; Q33-V164 HydrophobicContact CB-CG1 4.26Å; Q33-V164 HydrophobicContact CG-CB 4.38Å; Q33-V164 HydrophobicContact CG-CG1 4Å; Q33-V164 HydrophobicContact CG-CG2 4.07Å; F34-V164 HydrophobicContact CB-CG1 3.92Å; R161-V164 HydrophobicContact CG-CB 4.11Å; R161-V164 HydrophobicContact CG-CG2 4.29Å; R161-V164 PolarHBondContact O-N 3.45Å; A162-V164 PolarHBondContact O-N 3.29Å; V164-K166 VanDerWaalsContact C-N 3.27Å; V164-K166 PolarHBondContact O-N 3.39Å; V164-V167 VanDerWaalsContact O-CG2 3.22Å; V164-V167 WeakPolarHBondContact O-CG2 3.25Å; V164-V167 PolarHBondContact O-N 2.85Å; V164-F168 HydrophobicContact CG1-CD2 4.4Å; V164-F168 HydrophobicContact CG1-CE2 4.2Å; V164-F168 VanDerWaalsContact O-CD2 3.25Å; V164-F168 WeakPolarHBondContact O-CD2 3.47Å
165D98.1Very high98.2Very high57 Ų5736.8 Ų36.831%0.30518%0.18SC..Hα-helixtrans-60.2-41.6176.2-63.6-50.6000110.9F34 R161 V167 F168 F169F34-D165 WeakPolarHBondContact CD2-OD1 3.22Å; R161-D165 IonicContact CZ-OD1 3.8Å; R161-D165 IonicContact CZ-OD2 3.49Å; R161-D165 IonicContact NE-OD1 3.2Å; R161-D165 IonicContact NE-OD2 3.46Å; R161-D165 PolarHBondContact NE-OD2 3.32Å; R161-D165 IonicContact NH2-OD1 3.49Å; R161-D165 PolarHBondContact NH2-OD1 3.29Å; R161-D165 IonicContact NH2-OD2 2.73Å; R161-D165 PolarHBondContact NH2-OD2 3.45Å; D165-V167 PolarHBondContact O-N 3.34Å; D165-F168 PolarHBondContact O-N 3.31Å; D165-F169 HydrophobicContact CB-CD2 4.15Å; D165-F169 HydrophobicContact CB-CE2 4.4Å; D165-F169 WeakPolarHBondContact O-CB 3.27Å; D165-F169 VanDerWaalsContact O-CD2 3.24Å; D165-F169 WeakPolarHBondContact O-CD2 3.5Å; D165-F169 PolarHBondContact O-N 3.07Å
166K98.6Very high98.1Very high95 Ų9537.8 Ų37.841%0.41318%0.182SC..Hα-helixtrans-53.2-49.7-177.8179173.3171.650.80112.2V154 N163 V164 F168 F169 D170V154-K166 HydrophobicContact CG1-CD 4.34Å; N163-K166 HydrophobicContact CB-CB 4.19Å; N163-K166 WeakPolarHBondContact O-CB 3.41Å; N163-K166 PolarHBondContact O-N 3.12Å; V164-K166 VanDerWaalsContact C-N 3.27Å; V164-K166 PolarHBondContact O-N 3.39Å; K166-F168 PolarHBondContact O-N 2.72Å; K166-F169 PolarHBondContact O-N 3.15Å; K166-D170 VanDerWaalsContact CG-OD2 3.26Å; K166-D170 WeakPolarHBondContact CG-OD2 3.45Å; K166-D170 IonicContact NZ-OD2 3.9Å; K166-D170 PolarHBondContact NZ-OD2 3.28Å; K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.36Å; K166-D170 PolarHBondContact O-N 3.45Å
167V98.8Very high98Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-66.3-39.3-176.3-640000112.9L90 L123 V125 V154 T156 N163 V164 D165 L171L90-V167 HydrophobicContact CD1-CB 4.42Å; L90-V167 HydrophobicContact CD1-CG2 4.09Å; L90-V167 HydrophobicContact CD2-CB 4.17Å; L123-V167 HydrophobicContact CD2-CB 3.97Å; L123-V167 HydrophobicContact CD2-CG1 4.03Å; V125-V167 HydrophobicContact CG1-CG1 4.33Å; V125-V167 HydrophobicContact CG2-CB 4.27Å; V125-V167 HydrophobicContact CG2-CG1 3.97Å; V154-V167 HydrophobicContact CB-CG1 3.66Å; V154-V167 HydrophobicContact CG1-CG1 3.58Å; V154-V167 HydrophobicContact CG2-CG1 4.2Å; T156-V167 HydrophobicContact CG2-CG1 3.54Å; T156-V167 HydrophobicContact CG2-CG2 4.1Å; N163-V167 PolarHBondContact O-N 3.13Å; N163-V167 VanDerWaalsContact O-N 3.14Å; V164-V167 VanDerWaalsContact O-CG2 3.22Å; V164-V167 WeakPolarHBondContact O-CG2 3.25Å; V164-V167 PolarHBondContact O-N 2.85Å; D165-V167 PolarHBondContact O-N 3.34Å; V167-L171 WeakPolarHBondContact O-CB 3.26Å; V167-L171 PolarHBondContact O-N 2.92Å; V167-L171 VanDerWaalsContact O-N 3.12Å
168F98.6Very high97.7Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-69.8-43.9177.6-72.6-74.1000111.6V17 M19 F34 I64 I66 L90 V164 D165 K166 M172V17-F168 HydrophobicContact CG1-CD1 4.45Å; V17-F168 HydrophobicContact CG1-CE1 4.44Å; M19-F168 HydrophobicContact CE-CE1 4.31Å; M19-F168 HydrophobicContact CE-CZ 3.94Å; M19-F168 HydrophobicContact SD-CE1 3.75Å; M19-F168 HydrophobicContact SD-CZ 3.99Å; F34-F168 HydrophobicContact CB-CD2 3.61Å; F34-F168 HydrophobicContact CB-CE2 3.46Å; F34-F168 VanDerWaalsContact CB-CE2 3.46Å; F34-F168 HydrophobicContact CB-CG 4.49Å; F34-F168 HydrophobicContact CB-CZ 4.22Å; F34-F168 HydrophobicContact CD1-CD1 4.39Å; F34-F168 HydrophobicContact CD1-CD2 4.01Å; F34-F168 HydrophobicContact CD1-CE2 4.33Å; F34-F168 HydrophobicContact CD1-CG 4.06Å; F34-F168 HydrophobicContact CD2-CB 4.01Å; F34-F168 AromaticContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CE2 4.32Å; F34-F168 AromaticContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CD2-CG 3.97Å; F34-F168 HydrophobicContact CE1-CB 4.3Å; F34-F168 HydrophobicContact CE1-CG 4.26Å; F34-F168 HydrophobicContact CE2-CB 3.74Å; F34-F168 HydrophobicContact CE2-CD2 4.19Å; F34-F168 HydrophobicContact CE2-CG 4.17Å; F34-F168 HydrophobicContact CG-CB 4.38Å; F34-F168 AromaticContact CG-CD2 3.43Å; F34-F168 HydrophobicContact CG-CD2 3.43Å; F34-F168 VanDerWaalsContact CG-CD2 3.43Å; F34-F168 AromaticContact CG-CE2 3.79Å; F34-F168 HydrophobicContact CG-CE2 3.79Å; F34-F168 AromaticContact CG-CG 3.9Å; F34-F168 HydrophobicContact CG-CG 3.9Å; F34-F168 HydrophobicContact CG-CZ 4.5Å; F34-F168 HydrophobicContact CZ-CB 3.89Å; F34-F168 HydrophobicContact CZ-CG 4.31Å; I64-F168 HydrophobicContact CD1-CB 4.35Å; I64-F168 HydrophobicContact CD1-CD1 4.01Å; I66-F168 HydrophobicContact CD1-CD1 3.92Å; I66-F168 HydrophobicContact CD1-CE1 3.59Å; I66-F168 HydrophobicContact CD1-CZ 4.21Å; I66-F168 HydrophobicContact CG1-CD1 4.43Å; I66-F168 HydrophobicContact CG1-CE1 4.15Å; I66-F168 HydrophobicContact CG2-CE1 4.2Å; L90-F168 HydrophobicContact CD1-CD1 3.68Å; L90-F168 HydrophobicContact CD1-CE1 3.52Å; L90-F168 HydrophobicContact CD1-CE2 4.44Å; L90-F168 HydrophobicContact CD1-CG 4.22Å; L90-F168 HydrophobicContact CD1-CZ 3.93Å; V164-F168 HydrophobicContact CG1-CD2 4.4Å; V164-F168 HydrophobicContact CG1-CE2 4.2Å; V164-F168 VanDerWaalsContact O-CD2 3.25Å; V164-F168 WeakPolarHBondContact O-CD2 3.47Å; D165-F168 PolarHBondContact O-N 3.31Å; K166-F168 PolarHBondContact O-N 2.72Å; F168-M172 WeakPolarHBondContact O-CG 3.5Å; F168-M172 PolarHBondContact O-N 3.14Å
169F98.6Very high97.5Very high44 Ų4446 Ų4619%0.19322%0.224CC..Hα-helixtrans-68-42.9178.8-83.1-86.7000112.5F34 V55 V56 L57 D165 K166 M172 R173F34-F169 HydrophobicContact CE2-CD2 4.13Å; F34-F169 AromaticContact CE2-CE2 3.83Å; F34-F169 HydrophobicContact CE2-CE2 3.83Å; F34-F169 HydrophobicContact CZ-CE2 4.31Å; V55-F169 HydrophobicContact CB-CE1 4.43Å; V55-F169 HydrophobicContact CB-CZ 4.13Å; V55-F169 HydrophobicContact CG2-CE1 4.49Å; V56-F169 WeakPolarHBondContact O-CE1 3.44Å; L57-F169 HydrophobicContact CD1-CD1 3.62Å; L57-F169 HydrophobicContact CD1-CE1 4.32Å; D165-F169 HydrophobicContact CB-CD2 4.15Å; D165-F169 HydrophobicContact CB-CE2 4.4Å; D165-F169 WeakPolarHBondContact O-CB 3.27Å; D165-F169 VanDerWaalsContact O-CD2 3.24Å; D165-F169 WeakPolarHBondContact O-CD2 3.5Å; D165-F169 PolarHBondContact O-N 3.07Å; K166-F169 PolarHBondContact O-N 3.15Å; F169-M172 HydrophobicContact CB-CE 4.41Å; F169-M172 HydrophobicContact CD1-CE 3.72Å; F169-M172 HydrophobicContact CD2-CE 4.39Å; F169-M172 HydrophobicContact CE1-CE 4.01Å; F169-M172 HydrophobicContact CG-CE 3.92Å; F169-M172 HydrophobicContact CZ-CE 4.49Å; F169-M172 PolarHBondContact O-N 3.14Å; F169-R173 WeakPolarHBondContact O-CG 3.46Å; F169-R173 PolarHBondContact O-N 2.76Å
170D98.6Very high97.2Very high30 Ų3045.6 Ų45.616%0.1623%0.225CC..Hα-helixtrans-63.4-44.1177.8-72.8-12.4000111.5L123 K166 M172 R173 E174L123-D170 HydrophobicContact CD2-CB 4.35Å; K166-D170 VanDerWaalsContact CG-OD2 3.26Å; K166-D170 WeakPolarHBondContact CG-OD2 3.45Å; K166-D170 IonicContact NZ-OD2 3.9Å; K166-D170 PolarHBondContact NZ-OD2 3.28Å; K166-D170 VanDerWaalsContact O-CB 3.24Å; K166-D170 WeakPolarHBondContact O-CB 3.36Å; K166-D170 PolarHBondContact O-N 3.45Å; D170-M172 VanDerWaalsContact C-N 3.34Å; D170-M172 PolarHBondContact O-N 3.3Å; D170-R173 WeakPolarHBondContact O-CB 3.36Å; D170-R173 PolarHBondContact O-N 3.03Å; D170-R173 VanDerWaalsContact O-N 3.09Å; D170-R173 IonicContact OD1-CZ 3.99Å; D170-R173 IonicContact OD1-NH1 2.84Å; D170-R173 PolarHBondContact OD1-NH1 3.1Å; D170-E174 PolarHBondContact O-N 3.47Å
171L98.7Very high96.9Very high0 Ų046.2 Ų46.20%022%0.222CC..Hα-helixtrans-63.1-40.6175.3-177.165.3000111.9V17 L90 P121 V167 R173 E174 I175V17-L171 HydrophobicContact CB-CD2 4.31Å; V17-L171 HydrophobicContact CG1-CD2 3.65Å; V17-L171 HydrophobicContact CG2-CD2 3.85Å; V17-L171 HydrophobicContact CG2-CG 4.47Å; L90-L171 HydrophobicContact CD2-CB 4.07Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.39Å; L90-L171 HydrophobicContact CG-CD2 3.64Å; P121-L171 HydrophobicContact CB-CD1 3.91Å; V167-L171 WeakPolarHBondContact O-CB 3.26Å; V167-L171 PolarHBondContact O-N 2.92Å; V167-L171 VanDerWaalsContact O-N 3.12Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.04Å; L171-E174 PolarHBondContact O-N 3.06Å; L171-I175 HydrophobicContact CG-CD1 4.21Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.26Å
172M98.4Very high96.4Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-60.9-35.4173.9-76.6-170.9-69.400112.4H15 V55 L57 V62 I64 F168 F169 D170 I175 R176H15-M172 HydrophobicContact CB-CG 4.01Å; H15-M172 HydrophobicContact CB-SD 4.42Å; V55-M172 HydrophobicContact CG2-CE 3.93Å; V55-M172 HydrophobicContact CG2-SD 4.05Å; L57-M172 HydrophobicContact CD1-CB 4.22Å; L57-M172 HydrophobicContact CD1-CE 4.41Å; L57-M172 HydrophobicContact CD2-CB 3.84Å; V62-M172 HydrophobicContact CG2-SD 4.39Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.25Å; I64-M172 HydrophobicContact CD1-CG 4.07Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.41Å; I64-M172 HydrophobicContact CG1-SD 3.99Å; F168-M172 WeakPolarHBondContact O-CG 3.5Å; F168-M172 PolarHBondContact O-N 3.14Å; F169-M172 HydrophobicContact CB-CE 4.41Å; F169-M172 HydrophobicContact CD1-CE 3.72Å; F169-M172 HydrophobicContact CD2-CE 4.39Å; F169-M172 HydrophobicContact CE1-CE 4.01Å; F169-M172 HydrophobicContact CG-CE 3.92Å; F169-M172 HydrophobicContact CZ-CE 4.49Å; F169-M172 PolarHBondContact O-N 3.14Å; D170-M172 VanDerWaalsContact C-N 3.34Å; D170-M172 PolarHBondContact O-N 3.3Å; M172-I175 PolarHBondContact O-N 3.08Å; M172-R176 WeakPolarHBondContact O-CB 3.28Å; M172-R176 PolarHBondContact O-N 2.96Å
173R98.4Very high95.7Very high85 Ų8547.4 Ų47.432%0.32123%0.233SC..Hα-helixtrans-64.1-43.3173.8-67.8174.7-176.5109.65.7111.3L57 D58 F169 D170 L171 R176 A177L57-R173 HydrophobicContact CD1-CG 3.91Å; D58-R173 IonicContact OD1-CZ 2.76Å; D58-R173 IonicContact OD1-NE 3.4Å; D58-R173 PolarHBondContact OD1-NE 2.92Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 2.73Å; D58-R173 PolarHBondContact OD1-NH2 2.99Å; D58-R173 IonicContact OD2-NE 3.09Å; D58-R173 PolarHBondContact OD2-NE 3.25Å; F169-R173 WeakPolarHBondContact O-CG 3.46Å; F169-R173 PolarHBondContact O-N 2.76Å; D170-R173 WeakPolarHBondContact O-CB 3.36Å; D170-R173 PolarHBondContact O-N 3.03Å; D170-R173 VanDerWaalsContact O-N 3.09Å; D170-R173 IonicContact OD1-CZ 3.99Å; D170-R173 IonicContact OD1-NH1 2.84Å; D170-R173 PolarHBondContact OD1-NH1 3.1Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.04Å; R173-R176 PolarHBondContact O-N 3.26Å; R173-A177 WeakPolarHBondContact O-CB 3.49Å; R173-A177 PolarHBondContact O-N 3.44Å
174E98Very high94.9Very high49 Ų4951.4 Ų51.423%0.22925%0.247CC..Hα-helixtrans-61.7-45.8175.3-68.7-177-168.900111.6P121 F122 L123 N152 D170 L171 R176 A177 R178P121-E174 HydrophobicContact CB-CB 3.87Å; P121-E174 HydrophobicContact CG-CB 4.44Å; F122-E174 PolarHBondContact N-OE2 3.05Å; L123-E174 VanDerWaalsContact CD1-OE1 3.22Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.18Å; N152-E174 PolarHBondContact ND2-OE1 3.27Å; N152-E174 VanDerWaalsContact ND2-OE1 3.11Å; D170-E174 PolarHBondContact O-N 3.47Å; L171-E174 PolarHBondContact O-N 3.06Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.04Å; E174-A177 PolarHBondContact O-N 2.98Å; E174-R178 WeakPolarHBondContact O-CB 3.41Å; E174-R178 PolarHBondContact O-N 3.04Å
175I97.7Very high94Very high2 Ų256.8 Ų56.81%0.0127%0.273CS..Hα-helixtrans-58.8-46.4174.9-64.4167.8000110.8H15 V17 E87 P121 L171 M172 R178 K179H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.34Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.39Å; V17-I175 HydrophobicContact CG2-CD1 3.98Å; E87-I175 HydrophobicContact CB-CD1 4.18Å; E87-I175 HydrophobicContact CB-CG1 4.28Å; E87-I175 HydrophobicContact CB-CG2 3.78Å; P121-I175 HydrophobicContact CB-CG1 3.83Å; P121-I175 HydrophobicContact CG-CG1 4.09Å; L171-I175 HydrophobicContact CG-CD1 4.21Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.41Å; L171-I175 PolarHBondContact O-N 3.26Å; M172-I175 PolarHBondContact O-N 3.08Å; I175-R178 PolarHBondContact O-N 2.91Å; I175-K179 HydrophobicContact CG2-CD 4.26Å; I175-K179 WeakPolarHBondContact O-CG 3.49Å; I175-K179 PolarHBondContact O-N 3.01Å
176R96.6Very high92.9Very high56 Ų5660.4 Ų60.421%0.21129%0.285CS..Hα-helixtrans-61.5-45.5179.6-175.2-179.168.1-168-7.6111.1D58 M172 R173 E174 R178 K179 M180D58-R176 IonicContact OD2-CZ 2.8Å; D58-R176 IonicContact OD2-NH1 3.72Å; D58-R176 PolarHBondContact OD2-NH1 3.34Å; D58-R176 IonicContact OD2-NH2 2.87Å; D58-R176 PolarHBondContact OD2-NH2 3.13Å; M172-R176 WeakPolarHBondContact O-CB 3.28Å; M172-R176 PolarHBondContact O-N 2.96Å; R173-R176 PolarHBondContact O-N 3.26Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.04Å; R176-R178 PolarHBondContact O-N 3.04Å; R176-K179 PolarHBondContact O-N 2.97Å; R176-M180 HydrophobicContact CG-CE 3.85Å; R176-M180 WeakPolarHBondContact O-CG 3.19Å; R176-M180 PolarHBondContact O-N 2.93Å; R176-M180 VanDerWaalsContact O-N 3.11Å
177A95.6Very high91.7Very high47 Ų4760.4 Ų60.439%0.38829%0.29SS..Hα-helixtrans-59-47.3177.200000111.2R173 E174 K179 M180 E181R173-A177 WeakPolarHBondContact O-CB 3.49Å; R173-A177 PolarHBondContact O-N 3.44Å; E174-A177 PolarHBondContact O-N 2.98Å; A177-K179 PolarHBondContact O-N 2.59Å; A177-M180 WeakPolarHBondContact O-CB 3.49Å; A177-M180 PolarHBondContact O-N 2.94Å; A177-M180 VanDerWaalsContact O-N 3.12Å; A177-E181 PolarHBondContact O-N 3.32Å
178R93.8Very high90.5Very high64 Ų6462 Ų6224%0.24231%0.307CS..Hα-helixtrans-59.4-45.3178.1-171.859.4167.5-172.8-3.8112.8D117 P121 E174 I175 R176 M180 E181 D182D117-R178 IonicContact OD1-NH2 3.49Å; D117-R178 PolarHBondContact OD1-NH2 3.34Å; D117-R178 IonicContact OD2-CZ 3.94Å; D117-R178 IonicContact OD2-NE 2.72Å; D117-R178 IonicContact OD2-NH2 2.96Å; D117-R178 PolarHBondContact OD2-NH2 2.96Å; P121-R178 HydrophobicContact CG-CB 4.1Å; P121-R178 HydrophobicContact CG-CG 4.41Å; E174-R178 WeakPolarHBondContact O-CB 3.41Å; E174-R178 PolarHBondContact O-N 3.04Å; I175-R178 PolarHBondContact O-N 2.91Å; R176-R178 PolarHBondContact O-N 3.04Å; R178-M180 VanDerWaalsContact C-N 3.28Å; R178-M180 PolarHBondContact O-N 3.28Å; R178-E181 IonicContact NH1-OE2 2.67Å; R178-E181 PolarHBondContact O-N 3.13Å; R178-D182 PolarHBondContact O-N 2.99Å
179K92.3Very high89.3Confident65 Ų6568.4 Ų68.428%0.28333%0.334SS..Hα-helixtrans-61.2-35.5176.3-73.2-177.6-179.1-1730112.8L14 E87 I175 R176 A177 S183L14-K179 PolarHBondContact O-NZ 3.46Å; E87-K179 WeakPolarHBondContact OE1-CE 3.27Å; E87-K179 IonicContact OE1-NZ 2.71Å; E87-K179 PolarHBondContact OE1-NZ 2.9Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.25Å; E87-K179 IonicContact OE2-NZ 3.41Å; E87-K179 PolarHBondContact OE2-NZ 3.44Å; I175-K179 HydrophobicContact CG2-CD 4.26Å; I175-K179 WeakPolarHBondContact O-CG 3.49Å; I175-K179 PolarHBondContact O-N 3.01Å; R176-K179 PolarHBondContact O-N 2.97Å; A177-K179 PolarHBondContact O-N 2.59Å; K179-S183 WeakPolarHBondContact O-CB 3.33Å; K179-S183 PolarHBondContact O-N 2.99Å; K179-S183 PolarHBondContact O-OG 3.23Å
180M90.7Very high88.1Confident100 Ų10073.1 Ų73.149%0.49336%0.355SS..Hα-helixtrans-68.8-39.5176.3-70.8-177.2-18000111.9R176 A177 R178 S183 K184R176-M180 HydrophobicContact CG-CE 3.85Å; R176-M180 WeakPolarHBondContact O-CG 3.19Å; R176-M180 PolarHBondContact O-N 2.93Å; R176-M180 VanDerWaalsContact O-N 3.11Å; A177-M180 WeakPolarHBondContact O-CB 3.49Å; A177-M180 PolarHBondContact O-N 2.94Å; A177-M180 VanDerWaalsContact O-N 3.12Å; R178-M180 VanDerWaalsContact C-N 3.28Å; R178-M180 PolarHBondContact O-N 3.28Å; M180-S183 PolarHBondContact O-N 3.42Å; M180-K184 WeakPolarHBondContact O-CG 2.91Å; M180-K184 PolarHBondContact O-N 2.85Å; M180-K184 VanDerWaalsContact O-N 3.12Å
181E90.3Very high86.8Confident99 Ų9979.2 Ų79.246%0.46338%0.38SS..Hα-helixtrans-62.3-51.2175-69.7174.317400111.7A177 R178 S183 K184 E185A177-E181 PolarHBondContact O-N 3.32Å; R178-E181 IonicContact NH1-OE2 2.67Å; R178-E181 PolarHBondContact O-N 3.13Å; E181-S183 PolarHBondContact O-N 3.37Å; E181-K184 WeakPolarHBondContact O-CB 3.45Å; E181-K184 PolarHBondContact O-N 3.11Å; E181-E185 PolarHBondContact O-N 3Å
182D86.4Confident85.8Confident61 Ų6188.6 Ų88.633%0.32642%0.415SS..Hα-helixtrans-55.9-39.6177.9-76.3-8.2000112.5R178 K186R178-D182 PolarHBondContact O-N 2.99Å; D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.45Å; D182-K186 PolarHBondContact O-N 3.45Å
183S84.4Confident84.7Confident67 Ų6796.4 Ų96.447%0.46945%0.449SS..Hα-helixtrans-68.3-39.4179.1-62.70000111.8K179 M180 E181 N187K179-S183 WeakPolarHBondContact O-CB 3.33Å; K179-S183 PolarHBondContact O-N 2.99Å; K179-S183 PolarHBondContact O-OG 3.23Å; M180-S183 PolarHBondContact O-N 3.42Å; E181-S183 PolarHBondContact O-N 3.37Å; S183-N187 WeakPolarHBondContact O-CB 3.32Å; S183-N187 PolarHBondContact O-N 3.47Å; S183-N187 VanDerWaalsContact O-N 3.16Å
184K82Confident83.8Confident158 Ų15895.5 Ų95.569%0.68746%0.456SS*.Hα-helixtrans-65.2-44.7175.2-73.1172.5-176.3174.20111.2M180 E181 N187 G188M180-K184 WeakPolarHBondContact O-CG 2.91Å; M180-K184 PolarHBondContact O-N 2.85Å; M180-K184 VanDerWaalsContact O-N 3.12Å; E181-K184 WeakPolarHBondContact O-CB 3.45Å; E181-K184 PolarHBondContact O-N 3.11Å; K184-N187 PolarHBondContact O-N 3.4Å; K184-G188 PolarHBondContact O-N 3.19Å
185E78.6Confident83Confident114 Ų11498 Ų9853%0.53347%0.47SS..Hα-helixtrans-63-46.1178.5-71.8-161.2173.700113E181 N187 G188 K189E181-E185 PolarHBondContact O-N 3Å; E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 2.86Å; E185-G188 PolarHBondContact O-N 3.32Å; E185-K189 PolarHBondContact O-N 2.91Å; E185-K189 IonicContact OE2-NZ 2.96Å
186K76.8Confident82.1Confident132 Ų13299.8 Ų99.857%0.57449%0.486SS*.Hα-helixtrans-60.1-40.6177.9-75171.2-175.1168.10111.2D182 K190D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 VanDerWaalsContact O-CG 3.27Å; D182-K186 WeakPolarHBondContact O-CG 3.45Å; D182-K186 PolarHBondContact O-N 3.45Å; K186-K190 WeakPolarHBondContact O-CG 3.26Å; K186-K190 PolarHBondContact O-N 3.43Å
187N72.7Confident81.3Confident95 Ų95103 Ų10351%0.50850%0.501SS..Hα-helixtrans-69-38.2176.1-79.3-16.2000112.7S183 K184 E185 K190 K191S183-N187 WeakPolarHBondContact O-CB 3.32Å; S183-N187 PolarHBondContact O-N 3.47Å; S183-N187 VanDerWaalsContact O-N 3.16Å; K184-N187 PolarHBondContact O-N 3.4Å; E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 2.86Å; N187-K190 PolarHBondContact O-N 3.29Å; N187-K191 WeakPolarHBondContact O-CG 3.35Å; N187-K191 PolarHBondContact O-N 2.88Å
188G73.3Confident80.5Confident34 Ų34109.5 Ų109.535%0.35152%0.516SS..Hα-helixtrans-61.5-46.7173.100000112.8K184 E185 K190 K191 R192K184-G188 PolarHBondContact O-N 3.19Å; E185-G188 PolarHBondContact O-N 3.32Å; G188-K190 PolarHBondContact O-N 2.98Å; G188-K191 PolarHBondContact O-N 3.22Å; G188-R192 PolarHBondContact O-N 3.42Å
189K73.4Confident79.8Confident134 Ų134111 Ų11158%0.58353%0.528SS*.Hα-helixtrans-62.3-41.3176.1-73.3173.3-178.6161.80111.7E185 R192 K193E185-K189 PolarHBondContact O-N 2.91Å; E185-K189 IonicContact OE2-NZ 2.96Å; K189-R192 PolarHBondContact O-N 3.38Å; K189-K193 WeakPolarHBondContact O-CG 3.4Å; K189-K193 PolarHBondContact O-N 2.68Å
190K73.2Confident79Confident144 Ų144116.1 Ų116.163%0.62655%0.545SS*.Hα-helixtrans-61.8-47174.6-78.8179.4-178.6176.90112.3K186 N187 G188 R192 K193 S194K186-K190 WeakPolarHBondContact O-CG 3.26Å; K186-K190 PolarHBondContact O-N 3.43Å; N187-K190 PolarHBondContact O-N 3.29Å; G188-K190 PolarHBondContact O-N 2.98Å; K190-R192 PolarHBondContact O-N 3.03Å; K190-K193 PolarHBondContact O-N 3.08Å; K190-S194 PolarHBondContact O-N 2.9Å; K190-S194 PolarHBondContact O-OG 3.13Å
191K71.8Confident78.3Confident158 Ų158116.4 Ų116.469%0.68755%0.545SS*.Hα-helixtrans-61.1-41.9177.7-77.4-174.9178.6-178.10112.3N187 G188 S194 L195N187-K191 WeakPolarHBondContact O-CG 3.35Å; N187-K191 PolarHBondContact O-N 2.88Å; G188-K191 PolarHBondContact O-N 3.22Å; K191-S194 WeakPolarHBondContact CA-OG 3.42Å; K191-S194 PolarHBondContact O-N 3.46Å; K191-S194 PolarHBondContact O-OG 3.43Å; K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 PolarHBondContact O-N 2.69Å
192R76.8Confident77.5Confident197 Ų197121.8 Ų121.874%0.74356%0.561SS**Hα-helixtrans-63.9-43.5175.5-74.1175.977.2125.7-3.6112G188 K189 K190 L195 A196G188-R192 PolarHBondContact O-N 3.42Å; K189-R192 PolarHBondContact O-N 3.38Å; K190-R192 PolarHBondContact O-N 3.03Å; R192-L195 PolarHBondContact O-N 3.38Å; R192-A196 WeakPolarHBondContact O-CB 3.44Å; R192-A196 PolarHBondContact O-N 2.81Å
193K76Confident76.2Confident163 Ų163123.1 Ų123.171%0.70957%0.574SS**Hα-helixtrans-63-42.1175.7-75.8-175178.1-175.50112.3K189 K190 K197K189-K193 WeakPolarHBondContact O-CG 3.4Å; K189-K193 PolarHBondContact O-N 2.68Å; K190-K193 PolarHBondContact O-N 3.08Å; K193-K197 WeakPolarHBondContact O-CB 3.21Å; K193-K197 PolarHBondContact O-N 2.94Å
194S80.1Confident74.9Confident66 Ų66125.1 Ų125.146%0.46259%0.587SS.*Hα-helixtrans-67.1-38176.961.30000112.7K190 K191 K197 R198K190-S194 PolarHBondContact O-N 2.9Å; K190-S194 PolarHBondContact O-OG 3.13Å; K191-S194 WeakPolarHBondContact CA-OG 3.42Å; K191-S194 PolarHBondContact O-N 3.46Å; K191-S194 PolarHBondContact O-OG 3.43Å; S194-K197 PolarHBondContact O-N 3.12Å; S194-R198 PolarHBondContact O-N 3.42Å
195L80.9Confident73.6Confident102 Ų102124.3 Ų124.353%0.53459%0.589SS.*Hα-helixtrans-67.2-45.4176.4-175.763.8000111.2K191 R192 K197 R198 I199K191-L195 WeakPolarHBondContact O-CB 3.33Å; K191-L195 PolarHBondContact O-N 2.69Å; R192-L195 PolarHBondContact O-N 3.38Å; L195-K197 VanDerWaalsContact C-N 3.26Å; L195-K197 PolarHBondContact O-N 3.29Å; L195-R198 PolarHBondContact O-N 3.12Å; L195-I199 HydrophobicContact CD1-CD1 4.34Å; L195-I199 HydrophobicContact CG-CD1 4Å; L195-I199 WeakPolarHBondContact O-CG1 3.48Å; L195-I199 PolarHBondContact O-N 3.05Å
196A78.3Confident71.9Confident40 Ų40129.4 Ų129.433%0.33162%0.619SS.*Hα-helixtrans-64.2-29.217600000113.1R192 R200R192-A196 WeakPolarHBondContact O-CB 3.44Å; R192-A196 PolarHBondContact O-N 2.81Å; A196-R200 WeakPolarHBondContact O-CG 3.44Å; A196-R200 PolarHBondContact O-N 3.15Å; A196-R200 PolarHBondContact O-NE 2.99Å; A196-R200 VanDerWaalsContact O-NE 3.13Å
197K80.2Confident71.7Confident122 Ų122129.3 Ų129.353%0.5362%0.621SS.*Hα-helixtrans-69.1-49.1171.4-174.9175.7174.3177.50111K193 S194 L195 I199 R200 E201K193-K197 WeakPolarHBondContact O-CB 3.21Å; K193-K197 PolarHBondContact O-N 2.94Å; S194-K197 PolarHBondContact O-N 3.12Å; L195-K197 VanDerWaalsContact C-N 3.26Å; L195-K197 PolarHBondContact O-N 3.29Å; K197-I199 VanDerWaalsContact C-N 3.35Å; K197-I199 PolarHBondContact O-N 3.28Å; K197-R200 PolarHBondContact O-N 2.93Å; K197-E201 WeakPolarHBondContact CE-OE1 3.19Å; K197-E201 WeakPolarHBondContact CG-OE1 3.42Å; K197-E201 IonicContact NZ-OE1 3.21Å; K197-E201 WeakPolarHBondContact O-CG 3.49Å; K197-E201 PolarHBondContact O-N 3.31Å
198R79.2Confident71.7Confident185 Ų185131.1 Ų131.170%0.69863%0.627SS**Hα-helixtrans-59.9-39.3177.1-82.8179.6158.8-172-5.6113.7S194 L195 R202S194-R198 PolarHBondContact O-N 3.42Å; L195-R198 PolarHBondContact O-N 3.12Å; R198-R202 PolarHBondContact O-N 3.48Å; R198-R202 VanDerWaalsContact O-N 3.14Å
199I78.3Confident71.6Confident96 Ų96136.5 Ų136.549%0.49264%0.642SS.*Hα-helixtrans-66.4-44.2177.7-68.7169.1000110.5L195 K197 R202 C203L195-I199 HydrophobicContact CD1-CD1 4.34Å; L195-I199 HydrophobicContact CG-CD1 4Å; L195-I199 WeakPolarHBondContact O-CG1 3.48Å; L195-I199 PolarHBondContact O-N 3.05Å; K197-I199 VanDerWaalsContact C-N 3.35Å; K197-I199 PolarHBondContact O-N 3.28Å; I199-R202 PolarHBondContact O-N 3.19Å; I199-C203 PolarHBondContact O-N 2.9Å; I199-C203 VanDerWaalsContact O-N 3.08Å
200R76.1Confident71.5Confident172 Ų172136.6 Ų136.665%0.64965%0.646SS**Hα-helixtrans-61.8-43.9176.1-80.2-177.1-78.5-170.2-2.3112.5A196 K197 R202 C203 C204A196-R200 WeakPolarHBondContact O-CG 3.44Å; A196-R200 PolarHBondContact O-N 3.15Å; A196-R200 PolarHBondContact O-NE 2.99Å; A196-R200 VanDerWaalsContact O-NE 3.13Å; K197-R200 PolarHBondContact O-N 2.93Å; R200-R202 VanDerWaalsContact C-N 3.25Å; R200-R202 PolarHBondContact O-N 3.33Å; R200-C203 PolarHBondContact O-N 3.34Å; R200-C204 PolarHBondContact O-N 3.3Å; R200-C204 PolarHBondContact O-SG 3.15Å; R200-C204 VanDerWaalsContact O-SG 3.4Å
201E75.3Confident71.3Confident105 Ų105136.2 Ų136.249%0.49165%0.647SS.*Hα-helixtrans-63.3-30.1177.2-72.5168.1175.500112.8K197K197-E201 WeakPolarHBondContact CE-OE1 3.19Å; K197-E201 WeakPolarHBondContact CG-OE1 3.42Å; K197-E201 IonicContact NZ-OE1 3.21Å; K197-E201 WeakPolarHBondContact O-CG 3.49Å; K197-E201 PolarHBondContact O-N 3.31Å
202R73.8Confident71.3Confident213 Ų213134.7 Ų134.780%0.80464%0.644SS**Hα-helixtrans-78.2-30.6175-100.5-179.1167.7-174.9-4.8114.1R198 I199 R200R198-R202 PolarHBondContact O-N 3.48Å; R198-R202 VanDerWaalsContact O-N 3.14Å; I199-R202 PolarHBondContact O-N 3.19Å; R200-R202 VanDerWaalsContact C-N 3.25Å; R200-R202 PolarHBondContact O-N 3.33Å
203C59.9Low70.9Confident88 Ų88130.3 Ų130.360%0.59564%0.637SS**Hα-helixtrans-80.7-17.8179.7-77.10000113.8I199 R200 I205I199-C203 PolarHBondContact O-N 2.9Å; I199-C203 VanDerWaalsContact O-N 3.08Å; R200-C203 PolarHBondContact O-N 3.34Å; C203-I205 VanDerWaalsContact C-N 3.3Å; C203-I205 PolarHBondContact O-N 3.22Å
204C56.3Low70.5Confident110 Ų110127.8 Ų127.874%0.74363%0.631SS**THydrogen-bonded Turntrans-86.610.4178.8-660000114.7R200R200-C204 PolarHBondContact O-N 3.3Å; R200-C204 PolarHBondContact O-SG 3.15Å; R200-C204 VanDerWaalsContact O-SG 3.4Å
205I54.1Low69.7Low141 Ų141132.9 Ų132.972%0.72365%0.646SS**THydrogen-bonded Turntrans-111.84.7-178.7-55.2174.9000111.6C203C203-I205 VanDerWaalsContact C-N 3.3Å; C203-I205 PolarHBondContact O-N 3.22Å
206L44.6Very low68.7Low221 Ų221135.7 Ų135.7100%1.15766%0.656SS**  trans-115.40171.3-70.9169.9000109.7

Retrieved 206 of 206 residues in 189.7 ms (Link to these results)

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