A0A096M462_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A096M462, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 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
1V52.8Low61.9Low187 Ų187139 Ų139100%1.13379%0.788SS**  0114.80-173.60000107.5G3V1-G3 PolarHBondContact O-N 3.44Å
2P49.1Very low64.2Low124 Ų124135.2 Ų135.281%0.80576%0.758SS**PPolyproline II helixtrans-70.4121176.91.913.4000108K4P2-K4 PolarHBondContact O-N 3.37Å
3G56.4Low66.6Low71 Ų71130.2 Ų130.273%0.73275%0.745SS**PPolyproline II helixtrans-57.8121.3176.600000109.9V1 R5V1-G3 PolarHBondContact O-N 3.44Å; G3-R5 PolarHBondContact O-N 3.1Å; G3-R5 VanDerWaalsContact O-N 3.07Å
4K59.8Low68.8Low206 Ų206121.1 Ų121.190%0.89669%0.693SS**PPolyproline II helixtrans-53118169.2-79.9-179.8174.9178.90107.3P2P2-K4 PolarHBondContact O-N 3.37Å
5R62.8Low70.7Confident235 Ų235115 Ų11589%0.88766%0.655SS**PPolyproline II helixtrans-53.9131.4166.1-70.6-176.6-169.6-177.43.2106.8G3 A7G3-R5 PolarHBondContact O-N 3.1Å; G3-R5 VanDerWaalsContact O-N 3.07Å; R5-A7 PolarHBondContact O-N 3.04Å
6P60.8Low72.5Confident119 Ų119107.8 Ų107.877%0.77361%0.614SS**PPolyproline II helixtrans-55.2135.5173.722.1-29.9000107.9
7A61.6Low74Confident81 Ų81101.5 Ų101.567%0.66958%0.578SS**PPolyproline II helixtrans-52.5140173.500000108.5R5 V9R5-A7 PolarHBondContact O-N 3.04Å; A7-V9 PolarHBondContact O-N 3.18Å; A7-V9 VanDerWaalsContact O-N 3.12Å
8P62.6Low75.3Confident124 Ų12495.8 Ų95.881%0.80555%0.546SS*.PPolyproline II helixtrans-54.3125.4177.921.4-30.5000108.3Q10P8-Q10 PolarHBondContact O-N 3.3Å
9V64.4Low76.6Confident112 Ų11290.8 Ų90.868%0.67952%0.517SS*.  trans-63.5109.9178.8-172.80000106.8A7 M11 P60A7-V9 PolarHBondContact O-N 3.18Å; A7-V9 VanDerWaalsContact O-N 3.12Å; V9-M11 PolarHBondContact O-N 2.98Å; V9-M11 VanDerWaalsContact O-N 3.09Å; V9-P60 HydrophobicContact CB-CG 4.4Å; V9-P60 HydrophobicContact CG1-CG 3.39Å
10Q70.4Confident77.7Confident182 Ų18286.3 Ų86.385%0.8549%0.491SS*.  trans-69.4110.9-177.5-16716922.100108.3P8 Q12P8-Q10 PolarHBondContact O-N 3.3Å; Q10-Q12 PolarHBondContact O-N 3.06Å
11M80.6Confident78.6Confident88 Ų8883.3 Ų83.343%0.43347%0.474SS..PPolyproline II helixtrans-72.9121.2179.1-168.5172.4-66.900108.7V9 A13 N53 P60 N62V9-M11 PolarHBondContact O-N 2.98Å; V9-M11 VanDerWaalsContact O-N 3.09Å; M11-A13 PolarHBondContact O-N 3.3Å; M11-N53 PolarHBondContact SD-OD1 3.22Å; M11-N53 VanDerWaalsContact SD-OD1 3.41Å; M11-P60 HydrophobicContact CE-CB 4.38Å; M11-P60 HydrophobicContact CG-CB 4.43Å; M11-N62 HydrophobicContact CG-CB 3.97Å; M11-N62 HydrophobicContact SD-CB 3.75Å
12Q89.4Confident80.6Confident93 Ų9376 Ų7644%0.43544%0.436SS..EExtended strand (participates in β ladder)trans-77.4121.9178.4-174.2166.2-300109.1Q10 I14 P60 V61 N62 L187Q10-Q12 PolarHBondContact O-N 3.06Å; Q12-I14 HydrophobicContact CG-CG1 4.33Å; Q12-P60 PolarHBondContact N-O 2.95Å; Q12-V61 CarbonylContact O-C 3.52Å; Q12-V61 WeakPolarHBondContact O-CA 3.42Å; Q12-N62 PolarHBondContact O-N 2.95Å; Q12-L187 VanDerWaalsContact CD-CD2 3.45Å; Q12-L187 HydrophobicContact CG-CD2 4.47Å
13A95.3Very high82.7Confident71 Ų7172.9 Ų72.959%0.58742%0.421SS*.EExtended strand (participates in β ladder)trans-80.5131.2172.200000109.5M11 N62M11-A13 PolarHBondContact O-N 3.3Å; A13-N62 CarbonylContact C-O 3.55Å; A13-N62 WeakPolarHBondContact CA-O 3.48Å
14I97.4Very high84.7Confident3 Ų369.6 Ų69.62%0.01539%0.387CS..EExtended strand (participates in β ladder)trans-127.6126.4176.3-64.8-178.6000108.4Q12 V61 N62 L63 G64 D86 V87 I183 V186 L187Q12-I14 HydrophobicContact CG-CG1 4.33Å; I14-V61 HydrophobicContact CB-CG1 4.15Å; I14-V61 HydrophobicContact CD1-CG1 3.73Å; I14-V61 HydrophobicContact CD1-CG2 4.35Å; I14-V61 HydrophobicContact CG1-CG1 3.93Å; I14-N62 PolarHBondContact N-O 3.13Å; I14-L63 HydrophobicContact CB-CD1 4.12Å; I14-L63 HydrophobicContact CG2-CD1 3.87Å; I14-G64 PolarHBondContact O-N 2.97Å; I14-D86 WeakPolarHBondContact CA-OD2 3.44Å; I14-D86 HydrophobicContact CG2-CB 3.97Å; I14-V87 HydrophobicContact CG2-CG1 4.33Å; I14-I183 HydrophobicContact CD1-CB 4.44Å; I14-I183 HydrophobicContact CD1-CG1 4.39Å; I14-I183 HydrophobicContact CD1-CG2 3.95Å; I14-V186 HydrophobicContact CD1-CB 4.06Å; I14-V186 HydrophobicContact CD1-CG1 4.04Å; I14-V186 HydrophobicContact CG1-CG1 4.24Å; I14-V186 HydrophobicContact CG2-CG2 4.08Å; I14-L187 HydrophobicContact CD1-CD2 4.04Å; I14-L187 HydrophobicContact CD1-CG 4.23Å
15K97.8Very high86.4Confident29 Ų2960.5 Ų60.513%0.12635%0.352CS..EExtended strand (participates in β ladder)trans-94.2116.8173.1171.5163.4177.8-174.70111.1V17 W66 S81 P83 D86 V87K15-V17 HydrophobicContact CG-CG2 4.36Å; K15-W66 HydrophobicContact CB-CE3 4.33Å; K15-W66 HydrophobicContact CB-CH2 4.2Å; K15-W66 HydrophobicContact CB-CZ3 3.78Å; K15-W66 HydrophobicContact CD-CD2 4.11Å; K15-W66 HydrophobicContact CD-CE3 4.08Å; K15-W66 HydrophobicContact CD-CH2 3.91Å; K15-W66 HydrophobicContact CD-CZ2 3.95Å; K15-W66 HydrophobicContact CD-CZ3 3.94Å; K15-W66 HydrophobicContact CG-CD2 4.05Å; K15-W66 HydrophobicContact CG-CE3 3.56Å; K15-W66 HydrophobicContact CG-CH2 3.94Å; K15-W66 HydrophobicContact CG-CZ2 4.39Å; K15-W66 HydrophobicContact CG-CZ3 3.47Å; K15-W66 VanDerWaalsContact CG-CZ3 3.47Å; K15-S81 WeakPolarHBondContact CE-O 3.46Å; K15-S81 PolarHBondContact NZ-O 2.91Å; K15-P83 PolarHBondContact NZ-O 2.89Å; K15-D86 PolarHBondContact N-OD2 2.88Å; K15-D86 WeakPolarHBondContact O-CB 3.33Å; K15-D86 PolarHBondContact O-N 3.23Å; K15-V87 PolarHBondContact O-N 3.38Å
16C98.3Very high88Confident0 Ų049.9 Ų49.90%031%0.312CS..EExtended strand (participates in β ladder)trans-111.7121.4175.31790000110.2L63 G64 L65 W66 V87C16-L63 HydrophobicContact CB-CD1 3.85Å; C16-G64 PolarHBondContact N-O 3.15Å; C16-L65 HydrophobicContact CB-CD2 4.07Å; C16-L65 WeakPolarHBondContact O-CA 3.47Å; C16-W66 PolarHBondContact O-N 2.75Å; C16-V87 WeakPolarHBondContact CA-O 3.48Å; C16-V87 HydrophobicContact CB-CG1 3.84Å
17V98.5Very high89.7Confident0 Ų045.1 Ų45.10%028%0.281CS..EExtended strand (participates in β ladder)trans-106.6133.2176.4178.60000110K15 V19 W66 T68 Y82 T85 V87 F88 L89K15-V17 HydrophobicContact CG-CG2 4.36Å; V17-V19 HydrophobicContact CG1-CG1 4.1Å; V17-W66 HydrophobicContact CB-CB 4.32Å; V17-W66 HydrophobicContact CG1-CB 4.38Å; V17-W66 HydrophobicContact CG2-CB 3.84Å; V17-W66 HydrophobicContact CG2-CG 4.23Å; V17-T68 HydrophobicContact CG1-CG2 3.91Å; V17-Y82 HydrophobicContact CG1-CD1 4.06Å; V17-Y82 HydrophobicContact CG1-CE1 4Å; V17-T85 HydrophobicContact CB-CG2 3.94Å; V17-T85 HydrophobicContact CG2-CG2 3.62Å; V17-T85 WeakPolarHBondContact CG2-OG1 3.44Å; V17-V87 PolarHBondContact N-O 3.4Å; V17-F88 HydrophobicContact CB-CD1 3.8Å; V17-F88 HydrophobicContact CB-CE1 3.69Å; V17-F88 HydrophobicContact CB-CZ 4.49Å; V17-F88 HydrophobicContact CG1-CD1 4.03Å; V17-F88 HydrophobicContact CG1-CE1 3.75Å; V17-F88 HydrophobicContact CG2-CE1 4.37Å; V17-F88 WeakPolarHBondContact O-CA 3.46Å; V17-L89 PolarHBondContact O-N 2.95Å
18V98.3Very high91.2Very high0 Ų042.2 Ų42.20%026%0.255CS..EExtended strand (participates in β ladder)trans-108.5122.6-179.7-168.40000110.1K26 L30 W66 T68 L89 C91V18-K26 HydrophobicContact CG1-CB 3.85Å; V18-K26 HydrophobicContact CG1-CD 4.01Å; V18-K26 HydrophobicContact CG1-CG 3.92Å; V18-L30 HydrophobicContact CB-CD1 4.41Å; V18-L30 HydrophobicContact CG2-CD1 4.02Å; V18-L30 HydrophobicContact CG2-CD2 3.68Å; V18-L30 HydrophobicContact CG2-CG 4.15Å; V18-W66 PolarHBondContact N-O 3.19Å; V18-T68 PolarHBondContact O-OG1 2.84Å; V18-L89 HydrophobicContact CB-CB 4.47Å; V18-L89 HydrophobicContact CG1-CB 4.13Å; V18-L89 HydrophobicContact CG2-CB 4.2Å; V18-L89 HydrophobicContact CG2-CD1 3.97Å; V18-L89 HydrophobicContact CG2-CG 4.3Å; V18-C91 VanDerWaalsContact CG1-SG 3.54Å
19V98.5Very high92.8Very high0 Ų036.4 Ų36.40%022%0.217CC..EExtended strand (participates in β ladder)trans-126.5165.1178.8-56.30000110.7V17 K26 Y82 F88 L89 I90 C91 W107 V111V17-V19 HydrophobicContact CG1-CG1 4.1Å; V19-K26 VanDerWaalsContact C-CD 3.42Å; V19-Y82 HydrophobicContact CG1-CE1 3.86Å; V19-Y82 WeakPolarHBondContact CG1-OH 3.32Å; V19-F88 HydrophobicContact CG1-CD1 4.4Å; V19-L89 PolarHBondContact N-O 3.4Å; V19-I90 HydrophobicContact CG2-CB 4.39Å; V19-I90 HydrophobicContact CG2-CG1 3.76Å; V19-C91 PolarHBondContact O-N 3.23Å; V19-W107 HydrophobicContact CB-CE3 3.85Å; V19-W107 HydrophobicContact CB-CZ3 4.14Å; V19-W107 HydrophobicContact CG2-CE3 4.14Å; V19-V111 HydrophobicContact CG2-CG2 3.9Å
20G98.4Very high94.2Very high0 Ų031.1 Ų31.10%019%0.185CC..EExtended strand (participates in β ladder)trans141.6167.7-174.900000111.8K26 G70 C91 W107G20-K26 PolarHBondContact O-NZ 3.04Å; G20-G70 WeakPolarHBondContact O-CA 3.38Å; G20-C91 WeakPolarHBondContact CA-O 3.44Å; G20-W107 WeakPolarHBondContact O-CH2 3.48Å; G20-W107 VanDerWaalsContact O-CZ2 3.23Å; G20-W107 WeakPolarHBondContact O-CZ2 3.46Å
21D97.9Very high95.3Very high25 Ų2524.2 Ų24.213%0.13415%0.154CC..SBendtrans-54.6161.1-176.1-79.615.4000113.4V24 K26 S99 N102 W107D21-V24 HydrophobicContact CB-CG1 3.6Å; D21-V24 VanDerWaalsContact O-CG2 3.28Å; D21-V24 WeakPolarHBondContact O-CG2 3.12Å; D21-K26 PolarHBondContact O-NZ 3.39Å; D21-S99 VanDerWaalsContact OD2-CA 3.25Å; D21-S99 WeakPolarHBondContact OD2-CA 3.22Å; D21-S99 WeakPolarHBondContact OD2-CB 3.32Å; D21-N102 WeakPolarHBondContact OD1-CB 3.49Å; D21-N102 PolarHBondContact OD1-ND2 2.9Å; D21-N102 PolarHBondContact OD2-ND2 3.07Å; D21-W107 PolarHBondContact OD1-NE1 3.35Å
22G94.6Very high95.9Very high32 Ų3220 Ų2033%0.3313%0.133SC..THydrogen-bonded Turntrans-54.4145.6166.700000111.6V24 G70G22-V24 PolarHBondContact O-N 3.31Å; G22-G70 PolarHBondContact N-O 2.81Å
23A93.9Very high96.1Very high59 Ų5917 Ų1749%0.48812%0.118SC..THydrogen-bonded Turntrans58.21117500000117G25 K126A23-G25 PolarHBondContact O-N 3.07Å; A23-K126 VanDerWaalsContact O-CE 3.25Å; A23-K126 WeakPolarHBondContact O-CE 3.34Å; A23-K126 PolarHBondContact O-NZ 2.99Å
24V97.4Very high95.9Very high3 Ų315.6 Ų15.62%0.01810%0.102CC..SBendtrans-72.3-13.3173.5-57.40000113D21 G22 K26 C91 T125 K126D21-V24 HydrophobicContact CB-CG1 3.6Å; D21-V24 VanDerWaalsContact O-CG2 3.28Å; D21-V24 WeakPolarHBondContact O-CG2 3.12Å; G22-V24 PolarHBondContact O-N 3.31Å; V24-K26 HydrophobicContact CG2-CD 4.34Å; V24-K26 HydrophobicContact CG2-CG 3.69Å; V24-C91 HydrophobicContact CG2-CB 4.07Å; V24-T125 WeakPolarHBondContact O-CB 3.31Å; V24-T125 PolarHBondContact O-OG1 3.17Å; V24-K126 WeakPolarHBondContact O-CE 3.47Å
25G96Very high95.5Very high15 Ų1519.2 Ų19.216%0.15512%0.124CC..SBendtrans100.326.4175.400000115.2A23 C28 L29A23-G25 PolarHBondContact O-N 3.07Å; G25-C28 PolarHBondContact O-N 3.27Å; G25-L29 WeakPolarHBondContact O-CB 3.42Å; G25-L29 PolarHBondContact O-N 3.48Å
26K96.9Very high95Very high11 Ų1123.6 Ų23.65%0.04815%0.15CC..Hα-helixtrans-57.4-51.8174.8-55.8-171.7-57.6-76.90111.8V18 V19 G20 D21 V24 C28 L29 L30 T68 C91V18-K26 HydrophobicContact CG1-CB 3.85Å; V18-K26 HydrophobicContact CG1-CD 4.01Å; V18-K26 HydrophobicContact CG1-CG 3.92Å; V19-K26 VanDerWaalsContact C-CD 3.42Å; G20-K26 PolarHBondContact O-NZ 3.04Å; D21-K26 PolarHBondContact O-NZ 3.39Å; V24-K26 HydrophobicContact CG2-CD 4.34Å; V24-K26 HydrophobicContact CG2-CG 3.69Å; K26-C28 PolarHBondContact O-N 3.21Å; K26-L29 VanDerWaalsContact O-CB 3.23Å; K26-L29 WeakPolarHBondContact O-CB 3.46Å; K26-L29 PolarHBondContact O-N 3.28Å; K26-L29 VanDerWaalsContact O-N 3.15Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 2.96Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-T68 PolarHBondContact NZ-O 3.31Å; K26-C91 HydrophobicContact CG-CB 4.07Å
27T94.9Very high94.4Very high20 Ų2025.9 Ų25.912%0.12317%0.168CC..Hα-helixtrans-60.1-46.5177.5-41.10000111.9L29 L30 I31 T45 D67T27-L29 VanDerWaalsContact C-N 3.3Å; T27-L29 PolarHBondContact O-N 2.74Å; T27-L30 PolarHBondContact O-N 3.41Å; T27-I31 HydrophobicContact CG2-CD1 3.78Å; T27-I31 HydrophobicContact CG2-CG1 4.42Å; T27-I31 WeakPolarHBondContact O-CB 3.43Å; T27-I31 WeakPolarHBondContact O-CG1 3.49Å; T27-I31 PolarHBondContact O-N 2.92Å; T27-T45 VanDerWaalsContact CG2-OG1 3.3Å; T27-T45 WeakPolarHBondContact CG2-OG1 3.48Å; T27-T45 PolarHBondContact OG1-OG1 3.43Å; T27-D67 VanDerWaalsContact CA-OD2 3.29Å; T27-D67 WeakPolarHBondContact CA-OD2 3.45Å; T27-D67 VanDerWaalsContact CB-OD2 3.23Å; T27-D67 WeakPolarHBondContact CB-OD2 3.32Å; T27-D67 WeakPolarHBondContact CG2-OD2 3.49Å; T27-D67 PolarHBondContact OG1-OD2 3.45Å
28C94.5Very high93.7Very high20 Ų2030.4 Ų30.414%0.13519%0.188CC..Hα-helixtrans-60.9-39176.4-56.50000112.2G25 K26 S32 F38 P39 A169G25-C28 PolarHBondContact O-N 3.27Å; K26-C28 PolarHBondContact O-N 3.21Å; C28-S32 WeakPolarHBondContact O-CB 3.41Å; C28-S32 PolarHBondContact O-N 2.71Å; C28-F38 HydrophobicContact CB-CE2 3.8Å; C28-F38 HydrophobicContact CB-CZ 4.3Å; C28-P39 HydrophobicContact CB-CG 4.33Å; C28-A169 HydrophobicContact CB-CB 3.97Å
29L95.5Very high92.9Very high2 Ų231.9 Ų31.91%0.0120%0.198CC..Hα-helixtrans-58.7-49.5175.2-173.183.6000110.8G25 K26 T27 Y33 L89 C167 L175 F179G25-L29 WeakPolarHBondContact O-CB 3.42Å; G25-L29 PolarHBondContact O-N 3.48Å; K26-L29 VanDerWaalsContact O-CB 3.23Å; K26-L29 WeakPolarHBondContact O-CB 3.46Å; K26-L29 PolarHBondContact O-N 3.28Å; K26-L29 VanDerWaalsContact O-N 3.15Å; T27-L29 VanDerWaalsContact C-N 3.3Å; T27-L29 PolarHBondContact O-N 2.74Å; L29-Y33 WeakPolarHBondContact O-CB 3.38Å; L29-Y33 PolarHBondContact O-N 3.33Å; L29-Y33 VanDerWaalsContact O-N 3.11Å; L29-L89 HydrophobicContact CD2-CD1 4.08Å; L29-C167 WeakPolarHBondContact CD1-SG 3.02Å; L29-L175 HydrophobicContact CD1-CD1 3.23Å; L29-L175 HydrophobicContact CG-CD1 3.8Å; L29-F179 HydrophobicContact CD2-CZ 4Å; L29-F179 HydrophobicContact CG-CE2 4.17Å; L29-F179 HydrophobicContact CG-CZ 3.94Å
30L94.5Very high91.5Very high0 Ų036 Ų360%024%0.24CC..Hα-helixtrans-69-47-177-65.9179000112.4V18 K26 T27 Y33 T34 Y50 L65 D67 F179V18-L30 HydrophobicContact CB-CD1 4.41Å; V18-L30 HydrophobicContact CG2-CD1 4.02Å; V18-L30 HydrophobicContact CG2-CD2 3.68Å; V18-L30 HydrophobicContact CG2-CG 4.15Å; K26-L30 WeakPolarHBondContact O-CG 3.43Å; K26-L30 PolarHBondContact O-N 2.96Å; T27-L30 PolarHBondContact O-N 3.41Å; L30-Y33 PolarHBondContact O-N 2.92Å; L30-T34 WeakPolarHBondContact O-CG2 3.43Å; L30-T34 PolarHBondContact O-N 3.39Å; L30-T34 PolarHBondContact O-OG1 3.09Å; L30-Y50 HydrophobicContact CB-CD2 4.18Å; L30-Y50 HydrophobicContact CB-CE2 4.26Å; L30-Y50 HydrophobicContact CD1-CD2 4.39Å; L30-Y50 HydrophobicContact CD1-CE2 4.46Å; L30-L65 HydrophobicContact CD2-CB 3.9Å; L30-L65 HydrophobicContact CD2-CD1 4.08Å; L30-L65 HydrophobicContact CD2-CD2 3.86Å; L30-L65 HydrophobicContact CD2-CG 4.16Å; L30-D67 HydrophobicContact CD1-CB 3.41Å; L30-D67 VanDerWaalsContact CD1-CB 3.41Å; L30-F179 HydrophobicContact CD2-CE1 3.91Å; L30-F179 HydrophobicContact CD2-CZ 3.91Å
31I92.1Very high90.3Very high38 Ų3843.9 Ų43.920%0.19528%0.277CS..Hα-helixtrans-64-46.6178.2-67.1174.8000110.3T27 Y33 T34 T35 P39 Y50T27-I31 HydrophobicContact CG2-CD1 3.78Å; T27-I31 HydrophobicContact CG2-CG1 4.42Å; T27-I31 WeakPolarHBondContact O-CB 3.43Å; T27-I31 WeakPolarHBondContact O-CG1 3.49Å; T27-I31 PolarHBondContact O-N 2.92Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.16Å; I31-T34 PolarHBondContact O-N 3.06Å; I31-T34 PolarHBondContact O-OG1 2.87Å; I31-T35 HydrophobicContact CG2-CG2 4.21Å; I31-T35 WeakPolarHBondContact O-CB 3.41Å; I31-T35 WeakPolarHBondContact O-CG2 3.02Å; I31-T35 PolarHBondContact O-N 2.78Å; I31-T35 PolarHBondContact O-OG1 2.84Å; I31-P39 HydrophobicContact CD1-CB 4.33Å; I31-P39 HydrophobicContact CD1-CG 4.43Å; I31-P39 HydrophobicContact CG2-CB 4.25Å; I31-P39 HydrophobicContact CG2-CG 4.36Å; I31-Y50 HydrophobicContact CG1-CE1 4.29Å
32S93.8Very high88.8Confident0 Ų049 Ų490%030%0.295CS..Hα-helixtrans-61.3-37.7-179.6-178.10000112.2C28 N36 A37 A169 L175C28-S32 WeakPolarHBondContact O-CB 3.41Å; C28-S32 PolarHBondContact O-N 2.71Å; S32-N36 VanDerWaalsContact O-CA 3.23Å; S32-N36 WeakPolarHBondContact O-CA 3.4Å; S32-N36 PolarHBondContact O-N 3.27Å; S32-A37 VanDerWaalsContact CA-O 3.24Å; S32-A37 WeakPolarHBondContact CA-O 3.38Å; S32-A169 PolarHBondContact OG-O 3.37Å; S32-L175 VanDerWaalsContact OG-CD2 3.27Å; S32-L175 WeakPolarHBondContact OG-CD2 3.41Å
33Y93.9Very high87.7Confident28 Ų2853.4 Ų53.411%0.1131%0.31CS..Hα-helixtrans-69.8-40.1178.2175-109.2000112.7L29 L30 I31 A52 V54 L63 L65 L175 F179L29-Y33 WeakPolarHBondContact O-CB 3.38Å; L29-Y33 PolarHBondContact O-N 3.33Å; L29-Y33 VanDerWaalsContact O-N 3.11Å; L30-Y33 PolarHBondContact O-N 2.92Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.16Å; Y33-A52 HydrophobicContact CE1-CB 4.12Å; Y33-V54 WeakPolarHBondContact OH-CG1 3.43Å; Y33-L63 HydrophobicContact CE1-CD2 4.03Å; Y33-L65 HydrophobicContact CD1-CD1 3.91Å; Y33-L65 HydrophobicContact CE1-CD1 4.25Å; Y33-L175 HydrophobicContact CD2-CG 4.44Å; Y33-F179 VanDerWaalsContact CB-CE2 3.41Å; Y33-F179 HydrophobicContact CD1-CD1 4.25Å; Y33-F179 AromaticContact CD1-CD2 3.78Å; Y33-F179 HydrophobicContact CD1-CD2 3.78Å; Y33-F179 HydrophobicContact CD1-CE1 4.33Å; Y33-F179 AromaticContact CD1-CE2 3.88Å; Y33-F179 HydrophobicContact CD1-CE2 3.88Å; Y33-F179 AromaticContact CD1-CG 3.97Å; Y33-F179 HydrophobicContact CD1-CG 3.97Å; Y33-F179 HydrophobicContact CD1-CZ 4.14Å; Y33-F179 HydrophobicContact CD2-CB 4.34Å; Y33-F179 AromaticContact CD2-CD2 3.23Å; Y33-F179 HydrophobicContact CD2-CD2 3.23Å; Y33-F179 AromaticContact CD2-CE2 3.7Å; Y33-F179 HydrophobicContact CD2-CE2 3.7Å; Y33-F179 AromaticContact CD2-CG 3.95Å; Y33-F179 HydrophobicContact CD2-CG 3.95Å; Y33-F179 HydrophobicContact CE1-CB 4.11Å; Y33-F179 HydrophobicContact CE1-CD1 4.2Å; Y33-F179 HydrophobicContact CE1-CD2 4.05Å; Y33-F179 AromaticContact CE1-CG 3.84Å; Y33-F179 HydrophobicContact CE1-CG 3.84Å; Y33-F179 HydrophobicContact CE2-CB 3.71Å; Y33-F179 AromaticContact CE2-CD2 3.52Å; Y33-F179 HydrophobicContact CE2-CD2 3.52Å; Y33-F179 HydrophobicContact CE2-CE2 4.4Å; Y33-F179 AromaticContact CE2-CG 3.8Å; Y33-F179 HydrophobicContact CE2-CG 3.8Å; Y33-F179 AromaticContact CG-CD2 3.34Å; Y33-F179 HydrophobicContact CG-CD2 3.34Å; Y33-F179 AromaticContact CG-CE2 3.37Å; Y33-F179 HydrophobicContact CG-CE2 3.37Å; Y33-F179 HydrophobicContact CG-CG 4Å; Y33-F179 HydrophobicContact CG-CZ 4.04Å; Y33-F179 AromaticContact CZ-CD2 3.9Å; Y33-F179 AromaticContact CZ-CG 3.72Å
34T90.6Very high86.6Confident43 Ų4354.2 Ų54.226%0.26431%0.31SS..Hα-helixtrans-81.8-26.7-175.951.90000113.4L30 I31 L65L30-T34 WeakPolarHBondContact O-CG2 3.43Å; L30-T34 PolarHBondContact O-N 3.39Å; L30-T34 PolarHBondContact O-OG1 3.09Å; I31-T34 PolarHBondContact O-N 3.06Å; I31-T34 PolarHBondContact O-OG1 2.87Å; T34-L65 HydrophobicContact CG2-CD1 3.54Å
35T89Confident85.7Confident78 Ų7854.6 Ų54.648%0.47931%0.313SS..Hα-helixtrans-111.1-9.2-175.166.60000114.1I31 A37I31-T35 HydrophobicContact CG2-CG2 4.21Å; I31-T35 WeakPolarHBondContact O-CB 3.41Å; I31-T35 WeakPolarHBondContact O-CG2 3.02Å; I31-T35 PolarHBondContact O-N 2.78Å; I31-T35 PolarHBondContact O-OG1 2.84Å; T35-A37 PolarHBondContact O-N 2.97Å; T35-A37 PolarHBondContact OG1-N 3.12Å; T35-A37 PolarHBondContact OG1-O 3.45Å
36N87.6Confident84.5Confident122 Ų12257.2 Ų57.265%0.65233%0.325SS*.SBendtrans54.426.4-168.4-59.7-56000113.5S32 Q172S32-N36 VanDerWaalsContact O-CA 3.23Å; S32-N36 WeakPolarHBondContact O-CA 3.4Å; S32-N36 PolarHBondContact O-N 3.27Å; N36-Q172 VanDerWaalsContact C-NE2 3.31Å; N36-Q172 PolarHBondContact O-NE2 3.4Å
37A85.1Confident82.7Confident48 Ų4859.9 Ų59.940%0.39734%0.337SS..SBendtrans-140.2144.8-18000000111.4S32 T35S32-A37 VanDerWaalsContact CA-O 3.24Å; S32-A37 WeakPolarHBondContact CA-O 3.38Å; T35-A37 PolarHBondContact O-N 2.97Å; T35-A37 PolarHBondContact OG1-N 3.12Å; T35-A37 PolarHBondContact OG1-O 3.45Å
38F83.7Confident81.9Confident95 Ų9562.5 Ų62.542%0.41735%0.35SS..  trans-80.9134.4173.7-169.3-97.9000110.1C28 G40 A169 L170C28-F38 HydrophobicContact CB-CE2 3.8Å; C28-F38 HydrophobicContact CB-CZ 4.3Å; F38-G40 PolarHBondContact O-N 3.18Å; F38-A169 HydrophobicContact CD2-CB 4.04Å; F38-A169 HydrophobicContact CE2-CB 3.93Å; F38-L170 HydrophobicContact CB-CD1 4.28Å; F38-L170 HydrophobicContact CD1-CD1 3.92Å; F38-L170 VanDerWaalsContact CD2-CA 3.44Å; F38-L170 HydrophobicContact CD2-CB 4.09Å; F38-L170 HydrophobicContact CD2-CD1 4.28Å; F38-L170 HydrophobicContact CE1-CD1 4.31Å; F38-L170 HydrophobicContact CE2-CB 4.12Å; F38-L170 HydrophobicContact CG-CD1 3.89Å
39P81.6Confident81.3Confident30 Ų3066.8 Ų66.820%0.19537%0.372CS..  trans-66.6131.8179.926.5-33.4000111.2C28 I31C28-P39 HydrophobicContact CB-CG 4.33Å; I31-P39 HydrophobicContact CD1-CB 4.33Å; I31-P39 HydrophobicContact CD1-CG 4.43Å; I31-P39 HydrophobicContact CG2-CB 4.25Å; I31-P39 HydrophobicContact CG2-CG 4.36Å
40G69.6Low80.9Confident86 Ų8669.5 Ų69.589%0.88738%0.382SS*.SBendtrans-75.8-31.3-178.100000114.5F38F38-G40 PolarHBondContact O-N 3.18Å
41E73.7Confident80.7Confident166 Ų16673.4 Ų73.478%0.77641%0.41SS*.SBendtrans-117137.5177.1-68.7-172.7169.500110.9I43E41-I43 PolarHBondContact O-N 3.14Å
42Y65.9Low80.6Confident132 Ų13272.5 Ų72.552%0.51841%0.408SS..  trans-86.3110.1175177.7-106.4000110.2P44Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CB 4.39Å; Y42-P44 HydrophobicContact CE1-CG 3.82Å
43I70.6Confident80.5Confident126 Ų12677.8 Ų77.865%0.64644%0.436SS*.  trans-105.8119.5169.8-58.6174.8000107.3E41 T45E41-I43 PolarHBondContact O-N 3.14Å; I43-T45 PolarHBondContact O-N 3.34Å
44P72.4Confident80.5Confident76 Ų7678 Ų7849%0.49444%0.44SS..  trans-60.9124.4176.8-2231.5000112Y42Y42-P44 HydrophobicContact CD1-CG 4.38Å; Y42-P44 HydrophobicContact CE1-CB 4.39Å; Y42-P44 HydrophobicContact CE1-CG 3.82Å
45T77.9Confident80.6Confident11 Ų1181.6 Ų81.67%0.06746%0.455CS..  trans-73.4136.4178.7-54.60000112.3T27 I43 D67 A69T27-T45 VanDerWaalsContact CG2-OG1 3.3Å; T27-T45 WeakPolarHBondContact CG2-OG1 3.48Å; T27-T45 PolarHBondContact OG1-OG1 3.43Å; I43-T45 PolarHBondContact O-N 3.34Å; T45-D67 WeakPolarHBondContact CB-OD2 3.49Å; T45-D67 HydrophobicContact CG2-CB 3.99Å; T45-D67 WeakPolarHBondContact CG2-OD2 3.43Å; T45-D67 PolarHBondContact OG1-OD2 2.94Å; T45-A69 WeakPolarHBondContact O-CB 3.16Å
46V70.4Confident80.8Confident69 Ų6978 Ų7842%0.41843%0.433SS..SBendtrans-94-63.4161.2-179.50000108.9A69 Y74V46-A69 PolarHBondContact O-N 2.98Å; V46-Y74 HydrophobicContact CB-CE1 4.36Å; V46-Y74 HydrophobicContact CG1-CD1 4.18Å; V46-Y74 HydrophobicContact CG1-CE1 3.63Å; V46-Y74 HydrophobicContact CG2-CE1 4.18Å
47F59.7Low80.9Confident68 Ų6876.8 Ų76.830%0.29843%0.427SS..EExtended strand (participates in β ladder)trans-154.9137.6167-70.4-76000109.6T68 L77 S81F47-T68 HydrophobicContact CD1-CG2 4.46Å; F47-T68 HydrophobicContact CE1-CG2 4.22Å; F47-L77 HydrophobicContact CE2-CB 3.93Å; F47-L77 HydrophobicContact CZ-CB 3.99Å; F47-S81 WeakPolarHBondContact CD1-OG 3.34Å; F47-S81 WeakPolarHBondContact CE1-OG 3.29Å
48D78.4Confident81.1Confident75 Ų7577.5 Ų77.540%0.40144%0.438SS..EExtended strand (participates in β ladder)trans-141.3144.1170.5-82.9-51.2000110.4Y50 D67D48-Y50 HydrophobicContact CB-CE2 3.66Å; D48-D67 HydrophobicContact CB-CB 4.33Å; D48-D67 PolarHBondContact O-N 3.18Å
49N82.1Confident81.4Confident109 Ų10977.7 Ų77.758%0.58344%0.439SS*.EExtended strand (participates in β ladder)trans-115.7121.7176.2-63.4-34.8000109.5L65 W66N49-L65 CarbonylContact C-O 3.57Å; N49-L65 WeakPolarHBondContact CA-O 3.23Å; N49-W66 PolarHBondContact OD1-NE1 3.44Å; N49-W66 VanDerWaalsContact OD1-NE1 3.15Å
50Y87.1Confident81.9Confident60 Ų6077.6 Ų77.624%0.23544%0.439CS..EExtended strand (participates in β ladder)trans-111.9162172.8-49.5-90.1000110L30 I31 D48 G64 L65 D67L30-Y50 HydrophobicContact CB-CD2 4.18Å; L30-Y50 HydrophobicContact CB-CE2 4.26Å; L30-Y50 HydrophobicContact CD1-CD2 4.39Å; L30-Y50 HydrophobicContact CD1-CE2 4.46Å; I31-Y50 HydrophobicContact CG1-CE1 4.29Å; D48-Y50 HydrophobicContact CB-CE2 3.66Å; Y50-G64 WeakPolarHBondContact O-CA 3.17Å; Y50-L65 PolarHBondContact N-O 3.45Å; Y50-L65 PolarHBondContact O-N 3.13Å; Y50-D67 HydrophobicContact CE2-CB 4.33Å
51S89.5Confident83.2Confident82 Ų8273.6 Ų73.657%0.57340%0.397SS*.EExtended strand (participates in β ladder)trans-140.7148.1170.466.90000111.4L63S51-L63 CarbonylContact C-O 3.56Å; S51-L63 VanDerWaalsContact CA-O 3.26Å; S51-L63 WeakPolarHBondContact CA-O 3.21Å
52A89.8Confident84.3Confident19 Ų1968.1 Ų68.116%0.15737%0.373CS..EExtended strand (participates in β ladder)trans-139133.1175.300000110.2Y33 V54 L63Y33-A52 HydrophobicContact CE1-CB 4.12Å; A52-V54 HydrophobicContact CB-CG1 4.13Å; A52-L63 PolarHBondContact N-O 3.16Å; A52-L63 PolarHBondContact O-N 3.42Å
53N92.6Very high85.7Confident110 Ų11061.9 Ų61.959%0.58835%0.349SS*.EExtended strand (participates in β ladder)trans-89117.9169.3-68.5-25.5000108.5M11 V61 N62M11-N53 PolarHBondContact SD-OD1 3.22Å; M11-N53 VanDerWaalsContact SD-OD1 3.41Å; N53-V61 WeakPolarHBondContact CA-O 3.45Å; N53-N62 PolarHBondContact OD1-ND2 2.88Å
54V93.2Very high87Confident32 Ų3256.1 Ų56.119%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-133.5156.6-174.7-620000112.2Y33 A52 V56 V61 I183Y33-V54 WeakPolarHBondContact OH-CG1 3.43Å; A52-V54 HydrophobicContact CB-CG1 4.13Å; V54-V56 HydrophobicContact CG2-CG2 4.18Å; V54-V61 HydrophobicContact CG2-CB 4.24Å; V54-V61 PolarHBondContact N-O 3.5Å; V54-V61 PolarHBondContact O-N 3.2Å; V54-I183 HydrophobicContact CG2-CD1 3.53Å
55M92.5Very high88.1Confident119 Ų11952.5 Ų52.559%0.58630%0.297SS*.EExtended strand (participates in β ladder)trans-106.8115173.1-69.8-65.7-67.600108.9G58 P60M55-G58 WeakPolarHBondContact CE-O 3.35Å; M55-P60 VanDerWaalsContact SD-CA 3.53Å; M55-P60 HydrophobicContact SD-CB 3.65Å; M55-P60 HydrophobicContact SD-CG 4.42Å
56V92.6Very high89Confident2 Ų255 Ų551%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-121.6121.9175.5-179.50000108.7V54 G58 K59 I183 R184V54-V56 HydrophobicContact CG2-CG2 4.18Å; V56-G58 PolarHBondContact O-N 2.95Å; V56-G58 VanDerWaalsContact O-N 3.16Å; V56-K59 PolarHBondContact N-O 3.38Å; V56-K59 WeakPolarHBondContact O-CB 3.43Å; V56-K59 PolarHBondContact O-N 3.47Å; V56-I183 HydrophobicContact CB-CG2 3.81Å; V56-I183 HydrophobicContact CG1-CB 4.43Å; V56-I183 HydrophobicContact CG1-CG2 3.93Å; V56-I183 HydrophobicContact CG2-CB 4.19Å; V56-I183 HydrophobicContact CG2-CD1 3.61Å; V56-I183 HydrophobicContact CG2-CG2 3.89Å; V56-R184 HydrophobicContact CG1-CG 4.01Å
57D90.8Very high90.1Very high98 Ų9851.8 Ų51.852%0.52429%0.286SS..THydrogen-bonded Turntrans50.240.3-178.8-53.8-20.5000113.1K59 R184D57-K59 VanDerWaalsContact C-N 3.26Å; D57-K59 PolarHBondContact O-N 2.98Å; D57-R184 IonicContact OD1-CZ 3.28Å; D57-R184 IonicContact OD1-NE 3.47Å; D57-R184 PolarHBondContact OD1-NE 3.07Å; D57-R184 IonicContact OD1-NH2 2.74Å; D57-R184 PolarHBondContact OD1-NH2 3.47Å; D57-R184 WeakPolarHBondContact OD2-CD 3.43Å; D57-R184 WeakPolarHBondContact OD2-CG 3.23Å; D57-R184 IonicContact OD2-CZ 2.71Å; D57-R184 IonicContact OD2-NE 3.8Å; D57-R184 PolarHBondContact OD2-NE 3.25Å; D57-R184 IonicContact OD2-NH2 3.78Å
58G88.9Confident91.8Very high62 Ų6248.6 Ų48.664%0.63927%0.272SS*.THydrogen-bonded Turntrans77.21.9-179.600000115.3M55 V56M55-G58 WeakPolarHBondContact CE-O 3.35Å; V56-G58 PolarHBondContact O-N 2.95Å; V56-G58 VanDerWaalsContact O-N 3.16Å
59K89.8Confident92.3Very high99 Ų9945 Ų4543%0.4325%0.253SS..EExtended strand (participates in β ladder)trans-102.5126.7178.9-63.5174.2178.2178.40110.7V56 D57 L187V56-K59 PolarHBondContact N-O 3.38Å; V56-K59 WeakPolarHBondContact O-CB 3.43Å; V56-K59 PolarHBondContact O-N 3.47Å; D57-K59 VanDerWaalsContact C-N 3.26Å; D57-K59 PolarHBondContact O-N 2.98Å; K59-L187 HydrophobicContact CB-CD1 4.41Å; K59-L187 HydrophobicContact CD-CD1 3.99Å
60P93.5Very high92.6Very high29 Ų2940.2 Ų40.219%0.18823%0.229CC..EExtended strand (participates in β ladder)trans-74.6129.517328.2-30.8000110.9V9 M11 Q12 M55V9-P60 HydrophobicContact CB-CG 4.4Å; V9-P60 HydrophobicContact CG1-CG 3.39Å; M11-P60 HydrophobicContact CE-CB 4.38Å; M11-P60 HydrophobicContact CG-CB 4.43Å; Q12-P60 PolarHBondContact N-O 2.95Å; M55-P60 VanDerWaalsContact SD-CA 3.53Å; M55-P60 HydrophobicContact SD-CB 3.65Å; M55-P60 HydrophobicContact SD-CG 4.42Å
61V95.9Very high92.7Very high1 Ų140.2 Ų40.21%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-128.3134.5-177.9173.30000109.4Q12 I14 N53 V54 L63 I183 L187Q12-V61 CarbonylContact O-C 3.52Å; Q12-V61 WeakPolarHBondContact O-CA 3.42Å; I14-V61 HydrophobicContact CB-CG1 4.15Å; I14-V61 HydrophobicContact CD1-CG1 3.73Å; I14-V61 HydrophobicContact CD1-CG2 4.35Å; I14-V61 HydrophobicContact CG1-CG1 3.93Å; N53-V61 WeakPolarHBondContact CA-O 3.45Å; V54-V61 HydrophobicContact CG2-CB 4.24Å; V54-V61 PolarHBondContact N-O 3.5Å; V54-V61 PolarHBondContact O-N 3.2Å; V61-L63 HydrophobicContact CG1-CB 4.42Å; V61-I183 HydrophobicContact CG1-CD1 4.17Å; V61-I183 HydrophobicContact CG1-CG1 4.31Å; V61-I183 HydrophobicContact CG1-CG2 4.41Å; V61-I183 HydrophobicContact CG2-CG2 3.97Å; V61-L187 HydrophobicContact CG2-CD1 4.14Å
62N95.9Very high92.6Very high52 Ų5243.3 Ų43.328%0.27824%0.237SC..EExtended strand (participates in β ladder)trans-93.3104.5162.8-178.6-94.9000107.3M11 Q12 A13 I14 N53M11-N62 HydrophobicContact CG-CB 3.97Å; M11-N62 HydrophobicContact SD-CB 3.75Å; Q12-N62 PolarHBondContact O-N 2.95Å; A13-N62 CarbonylContact C-O 3.55Å; A13-N62 WeakPolarHBondContact CA-O 3.48Å; I14-N62 PolarHBondContact N-O 3.13Å; N53-N62 PolarHBondContact OD1-ND2 2.88Å
63L96.6Very high92.6Very high0 Ų049.4 Ų49.40%027%0.266CS..EExtended strand (participates in β ladder)trans-92.4109.7179-176.667.7000108.7I14 C16 Y33 S51 A52 V61 L65 F179 I183I14-L63 HydrophobicContact CB-CD1 4.12Å; I14-L63 HydrophobicContact CG2-CD1 3.87Å; C16-L63 HydrophobicContact CB-CD1 3.85Å; Y33-L63 HydrophobicContact CE1-CD2 4.03Å; S51-L63 CarbonylContact C-O 3.56Å; S51-L63 VanDerWaalsContact CA-O 3.26Å; S51-L63 WeakPolarHBondContact CA-O 3.21Å; A52-L63 PolarHBondContact N-O 3.16Å; A52-L63 PolarHBondContact O-N 3.42Å; V61-L63 HydrophobicContact CG1-CB 4.42Å; L63-L65 HydrophobicContact CD2-CD2 3.63Å; L63-L65 HydrophobicContact CD2-CG 4.3Å; L63-L65 HydrophobicContact CG-CD2 3.81Å; L63-L65 HydrophobicContact CG-CG 4.23Å; L63-F179 HydrophobicContact CD2-CB 4.22Å; L63-F179 HydrophobicContact CD2-CD1 3.89Å; L63-F179 HydrophobicContact CD2-CG 4.41Å; L63-I183 HydrophobicContact CB-CD1 4.42Å; L63-I183 HydrophobicContact CD1-CD1 4.37Å; L63-I183 HydrophobicContact CD1-CG1 4.01Å; L63-I183 HydrophobicContact CD2-CD1 4.08Å; L63-I183 HydrophobicContact CD2-CG1 4.43Å
64G97.2Very high92.5Very high6 Ų647.2 Ų47.26%0.06225%0.25CS..EExtended strand (participates in β ladder)trans-86.6137.5166.400000110.4I14 C16 Y50 W66I14-G64 PolarHBondContact O-N 2.97Å; C16-G64 PolarHBondContact N-O 3.15Å; Y50-G64 WeakPolarHBondContact O-CA 3.17Å; G64-W66 VanDerWaalsContact C-CE3 3.41Å; G64-W66 VanDerWaalsContact CA-CZ3 3.42Å; G64-W66 WeakPolarHBondContact O-CZ3 3.46Å
65L96.3Very high92.4Very high0 Ų048.2 Ų48.20%025%0.254CS..EExtended strand (participates in β ladder)trans-122.7117.1-172.4-62.7168.2000109C16 L30 Y33 T34 N49 Y50 L63 F179C16-L65 HydrophobicContact CB-CD2 4.07Å; C16-L65 WeakPolarHBondContact O-CA 3.47Å; L30-L65 HydrophobicContact CD2-CB 3.9Å; L30-L65 HydrophobicContact CD2-CD1 4.08Å; L30-L65 HydrophobicContact CD2-CD2 3.86Å; L30-L65 HydrophobicContact CD2-CG 4.16Å; Y33-L65 HydrophobicContact CD1-CD1 3.91Å; Y33-L65 HydrophobicContact CE1-CD1 4.25Å; T34-L65 HydrophobicContact CG2-CD1 3.54Å; N49-L65 CarbonylContact C-O 3.57Å; N49-L65 WeakPolarHBondContact CA-O 3.23Å; Y50-L65 PolarHBondContact N-O 3.45Å; Y50-L65 PolarHBondContact O-N 3.13Å; L63-L65 HydrophobicContact CD2-CD2 3.63Å; L63-L65 HydrophobicContact CD2-CG 4.3Å; L63-L65 HydrophobicContact CG-CD2 3.81Å; L63-L65 HydrophobicContact CG-CG 4.23Å; L65-F179 HydrophobicContact CD2-CD1 3.91Å; L65-F179 HydrophobicContact CD2-CE1 3.59Å
66W96.2Very high92.4Very high63 Ų6353.4 Ų53.424%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-103.2108.1178.8-80.3-108.1000109.1K15 C16 V17 V18 N49 G64K15-W66 HydrophobicContact CB-CE3 4.33Å; K15-W66 HydrophobicContact CB-CH2 4.2Å; K15-W66 HydrophobicContact CB-CZ3 3.78Å; K15-W66 HydrophobicContact CD-CD2 4.11Å; K15-W66 HydrophobicContact CD-CE3 4.08Å; K15-W66 HydrophobicContact CD-CH2 3.91Å; K15-W66 HydrophobicContact CD-CZ2 3.95Å; K15-W66 HydrophobicContact CD-CZ3 3.94Å; K15-W66 HydrophobicContact CG-CD2 4.05Å; K15-W66 HydrophobicContact CG-CE3 3.56Å; K15-W66 HydrophobicContact CG-CH2 3.94Å; K15-W66 HydrophobicContact CG-CZ2 4.39Å; K15-W66 HydrophobicContact CG-CZ3 3.47Å; K15-W66 VanDerWaalsContact CG-CZ3 3.47Å; C16-W66 PolarHBondContact O-N 2.75Å; V17-W66 HydrophobicContact CB-CB 4.32Å; V17-W66 HydrophobicContact CG1-CB 4.38Å; V17-W66 HydrophobicContact CG2-CB 3.84Å; V17-W66 HydrophobicContact CG2-CG 4.23Å; V18-W66 PolarHBondContact N-O 3.19Å; N49-W66 PolarHBondContact OD1-NE1 3.44Å; N49-W66 VanDerWaalsContact OD1-NE1 3.15Å; G64-W66 VanDerWaalsContact C-CE3 3.41Å; G64-W66 VanDerWaalsContact CA-CZ3 3.42Å; G64-W66 WeakPolarHBondContact O-CZ3 3.46Å
67D94.5Very high92.4Very high1 Ų157.1 Ų57.11%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-80.6136.6170.3-161.211.5000109.9T27 L30 T45 D48 Y50T27-D67 VanDerWaalsContact CA-OD2 3.29Å; T27-D67 WeakPolarHBondContact CA-OD2 3.45Å; T27-D67 VanDerWaalsContact CB-OD2 3.23Å; T27-D67 WeakPolarHBondContact CB-OD2 3.32Å; T27-D67 WeakPolarHBondContact CG2-OD2 3.49Å; T27-D67 PolarHBondContact OG1-OD2 3.45Å; L30-D67 HydrophobicContact CD1-CB 3.41Å; L30-D67 VanDerWaalsContact CD1-CB 3.41Å; T45-D67 WeakPolarHBondContact CB-OD2 3.49Å; T45-D67 HydrophobicContact CG2-CB 3.99Å; T45-D67 WeakPolarHBondContact CG2-OD2 3.43Å; T45-D67 PolarHBondContact OG1-OD2 2.94Å; D48-D67 HydrophobicContact CB-CB 4.33Å; D48-D67 PolarHBondContact O-N 3.18Å; Y50-D67 HydrophobicContact CE2-CB 4.33Å
68T94.1Very high92.6Very high1 Ų152.5 Ų52.51%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-127.9144.2-179.271.70000112.1V17 V18 K26 F47 R78V17-T68 HydrophobicContact CG1-CG2 3.91Å; V18-T68 PolarHBondContact O-OG1 2.84Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-T68 PolarHBondContact NZ-O 3.31Å; F47-T68 HydrophobicContact CD1-CG2 4.46Å; F47-T68 HydrophobicContact CE1-CG2 4.22Å; T68-R78 HydrophobicContact CG2-CG 4.15Å
69A90.3Very high92.9Very high1 Ų150.7 Ų50.71%0.00824%0.239CC..  trans-62.3135.4172.700000111.7T45 V46 Y74 R78T45-A69 WeakPolarHBondContact O-CB 3.16Å; V46-A69 PolarHBondContact O-N 2.98Å; A69-Y74 HydrophobicContact CB-CD1 4.18Å; A69-Y74 HydrophobicContact CB-CD2 3.41Å; A69-Y74 VanDerWaalsContact CB-CD2 3.41Å; A69-Y74 HydrophobicContact CB-CE2 4.09Å; A69-Y74 HydrophobicContact CB-CG 3.46Å; A69-Y74 VanDerWaalsContact CB-CG 3.46Å; A69-R78 PolarHBondContact O-NE 3.47Å; A69-R78 PolarHBondContact O-NH2 2.95Å
70G87.5Confident93.1Very high7 Ų752.2 Ų52.27%0.07225%0.251CS..  trans-94.8-6.8179.600000114.5G20 G22G20-G70 WeakPolarHBondContact O-CA 3.38Å; G22-G70 PolarHBondContact N-O 2.81Å
71Q88.5Confident93.2Very high60 Ų6051.5 Ų51.528%0.2825%0.247SC..SBendtrans-79.9150.1-179.7-54.883.2-14.900110.7D73 Y74 R78Q71-D73 PolarHBondContact O-N 3.2Å; Q71-Y74 HydrophobicContact CB-CD2 4.09Å; Q71-Y74 HydrophobicContact CB-CE2 4.48Å; Q71-Y74 PolarHBondContact O-N 2.88Å; Q71-R78 PolarHBondContact O-NH2 2.88Å; Q71-R78 VanDerWaalsContact O-NH2 3.11Å
72E87.2Confident93.3Very high148 Ų14851.6 Ų51.669%0.69225%0.248SC*.G310 helixtrans-64.5-29.4-178-62.7-175.916900112.9Y74 D75E72-Y74 PolarHBondContact O-N 2.95Å; E72-D75 VanDerWaalsContact O-CB 3.31Å; E72-D75 WeakPolarHBondContact O-CB 3.31Å; E72-D75 PolarHBondContact O-N 3.44Å
73D90.7Very high93.4Very high146 Ų14652.9 Ų52.978%0.78126%0.259SS*.G310 helixtrans-54.4-23.6175.3-60.4-31.7000112.9Q71Q71-D73 PolarHBondContact O-N 3.2Å
74Y90.4Very high93.3Very high64 Ų6461.4 Ų61.425%0.25130%0.299SS..G310 helixtrans-104.36.1-179.2-59.6-82000113.9V46 A69 Q71 E72 R76 L77 R78V46-Y74 HydrophobicContact CB-CE1 4.36Å; V46-Y74 HydrophobicContact CG1-CD1 4.18Å; V46-Y74 HydrophobicContact CG1-CE1 3.63Å; V46-Y74 HydrophobicContact CG2-CE1 4.18Å; A69-Y74 HydrophobicContact CB-CD1 4.18Å; A69-Y74 HydrophobicContact CB-CD2 3.41Å; A69-Y74 VanDerWaalsContact CB-CD2 3.41Å; A69-Y74 HydrophobicContact CB-CE2 4.09Å; A69-Y74 HydrophobicContact CB-CG 3.46Å; A69-Y74 VanDerWaalsContact CB-CG 3.46Å; Q71-Y74 HydrophobicContact CB-CD2 4.09Å; Q71-Y74 HydrophobicContact CB-CE2 4.48Å; Q71-Y74 PolarHBondContact O-N 2.88Å; E72-Y74 PolarHBondContact O-N 2.95Å; Y74-R76 PolarHBondContact O-N 3.05Å; Y74-R76 VanDerWaalsContact O-N 3.13Å; Y74-L77 HydrophobicContact CD1-CD1 4.17Å; Y74-L77 PolarHBondContact O-N 3.34Å; Y74-R78 WeakPolarHBondContact O-CB 3.49Å; Y74-R78 PolarHBondContact O-N 3.02Å
75D91.9Very high93.4Very high53 Ų5361.6 Ų61.628%0.28330%0.299SS..THydrogen-bonded Turntrans-57.6-31.2-177-79.3-7.7000112.9E72 R78 P79 K106E72-D75 VanDerWaalsContact O-CB 3.31Å; E72-D75 WeakPolarHBondContact O-CB 3.31Å; E72-D75 PolarHBondContact O-N 3.44Å; D75-R78 IonicContact OD1-CZ 3.24Å; D75-R78 VanDerWaalsContact OD1-CZ 3.24Å; D75-R78 IonicContact OD1-NH1 2.89Å; D75-R78 PolarHBondContact OD1-NH1 3.01Å; D75-R78 IonicContact OD1-NH2 2.69Å; D75-R78 PolarHBondContact OD1-NH2 2.76Å; D75-P79 WeakPolarHBondContact O-CD 3.32Å; D75-K106 VanDerWaalsContact CG-NZ 3.3Å; D75-K106 WeakPolarHBondContact OD1-CE 3.37Å; D75-K106 IonicContact OD1-NZ 2.64Å; D75-K106 PolarHBondContact OD1-NZ 3.26Å; D75-K106 IonicContact OD2-NZ 3.27Å; D75-K106 PolarHBondContact OD2-NZ 3.3Å
76R92.1Very high93.4Very high228 Ų22864.6 Ų64.686%0.8632%0.315SS*.THydrogen-bonded Turntrans-81.3-26.1176.9-64.7-175.2-178.9-177.61.2113.8Y74Y74-R76 PolarHBondContact O-N 3.05Å; Y74-R76 VanDerWaalsContact O-N 3.13Å
77L92.1Very high93.6Very high81 Ų8161.6 Ų61.642%0.42430%0.303SS..THydrogen-bonded Turntrans-89.6-34.7-177.6-62.4-180000111.5F47 Y74 L80F47-L77 HydrophobicContact CE2-CB 3.93Å; F47-L77 HydrophobicContact CZ-CB 3.99Å; Y74-L77 HydrophobicContact CD1-CD1 4.17Å; Y74-L77 PolarHBondContact O-N 3.34Å; L77-L80 HydrophobicContact CD2-CD1 4.13Å; L77-L80 WeakPolarHBondContact O-CB 3.38Å; L77-L80 VanDerWaalsContact O-CG 3.29Å; L77-L80 WeakPolarHBondContact O-CG 3.46Å; L77-L80 PolarHBondContact O-N 2.8Å
78R95.1Very high93.8Very high0 Ų061.6 Ų61.60%030%0.303CS..G310 helixtrans-53-43.6-177.5-170.2-174-44.4109.77.4113.7T68 A69 Q71 Y74 D75 L80 S81 Y82 W107 E110T68-R78 HydrophobicContact CG2-CG 4.15Å; A69-R78 PolarHBondContact O-NE 3.47Å; A69-R78 PolarHBondContact O-NH2 2.95Å; Q71-R78 PolarHBondContact O-NH2 2.88Å; Q71-R78 VanDerWaalsContact O-NH2 3.11Å; Y74-R78 WeakPolarHBondContact O-CB 3.49Å; Y74-R78 PolarHBondContact O-N 3.02Å; D75-R78 IonicContact OD1-CZ 3.24Å; D75-R78 VanDerWaalsContact OD1-CZ 3.24Å; D75-R78 IonicContact OD1-NH1 2.89Å; D75-R78 PolarHBondContact OD1-NH1 3.01Å; D75-R78 IonicContact OD1-NH2 2.69Å; D75-R78 PolarHBondContact OD1-NH2 2.76Å; R78-L80 PolarHBondContact O-N 3.41Å; R78-L80 VanDerWaalsContact O-N 3.09Å; R78-S81 PolarHBondContact O-N 3.39Å; R78-Y82 WeakPolarHBondContact CD-OH 3.49Å; R78-Y82 HydrophobicContact CG-CE1 4.04Å; R78-Y82 WeakPolarHBondContact CG-OH 3.19Å; R78-W107 VanDerWaalsContact CZ-CH2 3.47Å; R78-W107 VanDerWaalsContact CZ-CZ3 3.43Å; R78-E110 WeakPolarHBondContact CD-OE1 3.45Å; R78-E110 IonicContact CZ-OE1 2.94Å; R78-E110 IonicContact NH1-OE1 2.82Å; R78-E110 PolarHBondContact NH1-OE1 2.63Å; R78-E110 IonicContact NH1-OE2 3.03Å; R78-E110 PolarHBondContact NH1-OE2 3.18Å
79P95.7Very high94Very high25 Ų2561.5 Ų61.516%0.16230%0.303CS..G310 helixtrans-63.4-17.3179.5-25.236.8000114.7D75 S81 Y82 P83D75-P79 WeakPolarHBondContact O-CD 3.32Å; P79-S81 PolarHBondContact O-N 3.43Å; P79-Y82 HydrophobicContact CB-CD2 3.99Å; P79-Y82 HydrophobicContact CB-CE2 4.14Å; P79-Y82 HydrophobicContact CG-CE2 4.26Å; P79-Y82 WeakPolarHBondContact O-CB 3.28Å; P79-Y82 PolarHBondContact O-N 2.64Å; P79-Y82 VanDerWaalsContact O-N 3.1Å; P79-P83 WeakPolarHBondContact O-CD 3.45Å
80L94.4Very high94.4Very high130 Ų13061.5 Ų61.568%0.68130%0.302SS*.G310 helixtrans-64.6-21.1174.6-56.6177.5000112.1L77 R78 P83L77-L80 HydrophobicContact CD2-CD1 4.13Å; L77-L80 WeakPolarHBondContact O-CB 3.38Å; L77-L80 VanDerWaalsContact O-CG 3.29Å; L77-L80 WeakPolarHBondContact O-CG 3.46Å; L77-L80 PolarHBondContact O-N 2.8Å; R78-L80 PolarHBondContact O-N 3.41Å; R78-L80 VanDerWaalsContact O-N 3.09Å; L80-P83 WeakPolarHBondContact O-CD 3.33Å
81S95.3Very high94.9Very high15 Ų1561.1 Ų61.111%0.10530%0.299CS..G310 helixtrans-83.4-13174.9-54.50000113.7K15 F47 R78 P79K15-S81 WeakPolarHBondContact CE-O 3.46Å; K15-S81 PolarHBondContact NZ-O 2.91Å; F47-S81 WeakPolarHBondContact CD1-OG 3.34Å; F47-S81 WeakPolarHBondContact CE1-OG 3.29Å; R78-S81 PolarHBondContact O-N 3.39Å; P79-S81 PolarHBondContact O-N 3.43Å
82Y97.5Very high95.4Very high3 Ų358.3 Ų58.31%0.01229%0.286CS..  trans-78.2-27.8-172.1-62.2-9.7000117V17 V19 R78 P79 Q84 T85 F88 E110 H114V17-Y82 HydrophobicContact CG1-CD1 4.06Å; V17-Y82 HydrophobicContact CG1-CE1 4Å; V19-Y82 HydrophobicContact CG1-CE1 3.86Å; V19-Y82 WeakPolarHBondContact CG1-OH 3.32Å; R78-Y82 WeakPolarHBondContact CD-OH 3.49Å; R78-Y82 HydrophobicContact CG-CE1 4.04Å; R78-Y82 WeakPolarHBondContact CG-OH 3.19Å; P79-Y82 HydrophobicContact CB-CD2 3.99Å; P79-Y82 HydrophobicContact CB-CE2 4.14Å; P79-Y82 HydrophobicContact CG-CE2 4.26Å; P79-Y82 WeakPolarHBondContact O-CB 3.28Å; P79-Y82 PolarHBondContact O-N 2.64Å; P79-Y82 VanDerWaalsContact O-N 3.1Å; Y82-Q84 PolarHBondContact O-N 2.9Å; Y82-T85 VanDerWaalsContact O-CB 3.32Å; Y82-T85 WeakPolarHBondContact O-CB 3.35Å; Y82-T85 PolarHBondContact O-N 2.86Å; Y82-T85 PolarHBondContact O-OG1 3.41Å; Y82-F88 AromaticContact CD1-CE1 3.6Å; Y82-F88 HydrophobicContact CD1-CE1 3.6Å; Y82-F88 AromaticContact CD1-CZ 3.9Å; Y82-F88 HydrophobicContact CD1-CZ 3.9Å; Y82-F88 AromaticContact CE1-CE1 3.78Å; Y82-F88 HydrophobicContact CE1-CE1 3.78Å; Y82-F88 HydrophobicContact CE1-CZ 4.45Å; Y82-F88 HydrophobicContact CG-CE1 4.11Å; Y82-F88 AromaticContact CG-CZ 3.96Å; Y82-F88 HydrophobicContact CG-CZ 3.96Å; Y82-E110 HydrophobicContact CE2-CG 4.25Å; Y82-E110 PolarHBondContact OH-OE1 2.86Å; Y82-H114 HydrophobicContact CD2-CB 3.65Å; Y82-H114 AromaticContact CD2-CD2 3.93Å; Y82-H114 AromaticContact CD2-CG 3.85Å; Y82-H114 HydrophobicContact CE2-CB 4.38Å; Y82-H114 AromaticContact CE2-CD2 3.97Å
83P97.1Very high96Very high78 Ų7851.4 Ų51.451%0.50625%0.254SS..THydrogen-bonded Turntrans-52.8137.1179.5-29.336.4000112.6K15 P79 L80 T85K15-P83 PolarHBondContact NZ-O 2.89Å; P79-P83 WeakPolarHBondContact O-CD 3.45Å; L80-P83 WeakPolarHBondContact O-CD 3.33Å; P83-T85 PolarHBondContact O-N 3.32Å
84Q95.6Very high96.4Very high180 Ų18044.4 Ų44.484%0.84122%0.216SC*.THydrogen-bonded Turntrans59.527.4178.8-53173.9-56.600114.3Y82Y82-Q84 PolarHBondContact O-N 2.9Å
85T98.1Very high96.8Very high10 Ų1041.9 Ų41.96%0.06121%0.208CC..  trans-74.6126.9174.2-58.80000111V17 Y82 P83 V87 F88 T118V17-T85 HydrophobicContact CB-CG2 3.94Å; V17-T85 HydrophobicContact CG2-CG2 3.62Å; V17-T85 WeakPolarHBondContact CG2-OG1 3.44Å; Y82-T85 VanDerWaalsContact O-CB 3.32Å; Y82-T85 WeakPolarHBondContact O-CB 3.35Å; Y82-T85 PolarHBondContact O-N 2.86Å; Y82-T85 PolarHBondContact O-OG1 3.41Å; P83-T85 PolarHBondContact O-N 3.32Å; T85-V87 WeakPolarHBondContact CG2-O 3.48Å; T85-F88 HydrophobicContact CG2-CD1 4.35Å; T85-F88 HydrophobicContact CG2-CD2 3.75Å; T85-F88 HydrophobicContact CG2-CE1 4.12Å; T85-F88 HydrophobicContact CG2-CE2 3.47Å; T85-F88 VanDerWaalsContact CG2-CE2 3.47Å; T85-F88 HydrophobicContact CG2-CG 4.18Å; T85-F88 HydrophobicContact CG2-CZ 3.68Å; T85-T118 HydrophobicContact CG2-CG2 4.18Å; T85-T118 VanDerWaalsContact O-CG2 3.23Å; T85-T118 WeakPolarHBondContact O-CG2 3.44Å; T85-T118 PolarHBondContact O-OG1 3.21Å
86D98.2Very high97.1Very high63 Ų6341.4 Ų41.434%0.33721%0.208SC..SBendtrans-85.6-32.7178.2-62.3-59.8000112.1I14 K15 T118 P119 V186I14-D86 WeakPolarHBondContact CA-OD2 3.44Å; I14-D86 HydrophobicContact CG2-CB 3.97Å; K15-D86 PolarHBondContact N-OD2 2.88Å; K15-D86 WeakPolarHBondContact O-CB 3.33Å; K15-D86 PolarHBondContact O-N 3.23Å; D86-T118 WeakPolarHBondContact O-CG2 3.45Å; D86-P119 WeakPolarHBondContact O-CD 3.33Å; D86-P119 WeakPolarHBondContact O-CG 3.47Å; D86-V186 HydrophobicContact CB-CG1 4.05Å; D86-V186 HydrophobicContact CB-CG2 3.88Å; D86-V186 WeakPolarHBondContact O-CG2 3.29Å
87V98.6Very high97.4Very high0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-152144.2177.761.90000111.9I14 K15 C16 V17 T85 P119 I121 A182 V186I14-V87 HydrophobicContact CG2-CG1 4.33Å; K15-V87 PolarHBondContact O-N 3.38Å; C16-V87 WeakPolarHBondContact CA-O 3.48Å; C16-V87 HydrophobicContact CB-CG1 3.84Å; V17-V87 PolarHBondContact N-O 3.4Å; T85-V87 WeakPolarHBondContact CG2-O 3.48Å; V87-P119 HydrophobicContact CB-CG 4.21Å; V87-P119 HydrophobicContact CG2-CG 4.23Å; V87-I121 HydrophobicContact CG2-CG1 4.28Å; V87-A182 HydrophobicContact CG1-CB 4.14Å; V87-A182 HydrophobicContact CG2-CB 4.13Å; V87-V186 HydrophobicContact CB-CG2 3.78Å; V87-V186 HydrophobicContact CG1-CG2 4.05Å
88F98.8Very high97.7Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-106.8140.2171.5-75.8-88.7000111.7V17 V19 Y82 T85 V111 C115 T118 P119 I120 I121V17-F88 HydrophobicContact CB-CD1 3.8Å; V17-F88 HydrophobicContact CB-CE1 3.69Å; V17-F88 HydrophobicContact CB-CZ 4.49Å; V17-F88 HydrophobicContact CG1-CD1 4.03Å; V17-F88 HydrophobicContact CG1-CE1 3.75Å; V17-F88 HydrophobicContact CG2-CE1 4.37Å; V17-F88 WeakPolarHBondContact O-CA 3.46Å; V19-F88 HydrophobicContact CG1-CD1 4.4Å; Y82-F88 AromaticContact CD1-CE1 3.6Å; Y82-F88 HydrophobicContact CD1-CE1 3.6Å; Y82-F88 AromaticContact CD1-CZ 3.9Å; Y82-F88 HydrophobicContact CD1-CZ 3.9Å; Y82-F88 AromaticContact CE1-CE1 3.78Å; Y82-F88 HydrophobicContact CE1-CE1 3.78Å; Y82-F88 HydrophobicContact CE1-CZ 4.45Å; Y82-F88 HydrophobicContact CG-CE1 4.11Å; Y82-F88 AromaticContact CG-CZ 3.96Å; Y82-F88 HydrophobicContact CG-CZ 3.96Å; T85-F88 HydrophobicContact CG2-CD1 4.35Å; T85-F88 HydrophobicContact CG2-CD2 3.75Å; T85-F88 HydrophobicContact CG2-CE1 4.12Å; T85-F88 HydrophobicContact CG2-CE2 3.47Å; T85-F88 VanDerWaalsContact CG2-CE2 3.47Å; T85-F88 HydrophobicContact CG2-CG 4.18Å; T85-F88 HydrophobicContact CG2-CZ 3.68Å; F88-V111 HydrophobicContact CB-CG1 4.3Å; F88-V111 HydrophobicContact CD1-CG1 4.2Å; F88-V111 HydrophobicContact CD1-CG2 3.98Å; F88-V111 HydrophobicContact CD2-CG1 3.65Å; F88-V111 HydrophobicContact CE1-CG1 4.46Å; F88-V111 HydrophobicContact CE1-CG2 4.24Å; F88-V111 HydrophobicContact CE2-CG1 3.96Å; F88-V111 HydrophobicContact CG-CG1 3.79Å; F88-V111 HydrophobicContact CG-CG2 4.3Å; F88-V111 HydrophobicContact CZ-CG1 4.35Å; F88-C115 HydrophobicContact CE2-CB 3.58Å; F88-C115 HydrophobicContact CZ-CB 4.12Å; F88-T118 HydrophobicContact CD2-CG2 3.51Å; F88-T118 HydrophobicContact CE2-CG2 3.73Å; F88-P119 PolarHBondContact N-O 2.59Å; F88-I120 HydrophobicContact CB-CG1 4.29Å; F88-I120 WeakPolarHBondContact O-CA 3.4Å; F88-I121 PolarHBondContact O-N 3.01Å
89L98.8Very high97.8Very high0 Ų030.6 Ų30.60%018%0.178CC..EExtended strand (participates in β ladder)trans-100.5119158.3-54.9-173.4000108.2V17 V18 V19 L29 I121 V123 V178 F179 A182V17-L89 PolarHBondContact O-N 2.95Å; V18-L89 HydrophobicContact CB-CB 4.47Å; V18-L89 HydrophobicContact CG1-CB 4.13Å; V18-L89 HydrophobicContact CG2-CB 4.2Å; V18-L89 HydrophobicContact CG2-CD1 3.97Å; V18-L89 HydrophobicContact CG2-CG 4.3Å; V19-L89 PolarHBondContact N-O 3.4Å; L29-L89 HydrophobicContact CD2-CD1 4.08Å; L89-I121 WeakPolarHBondContact CA-O 3.14Å; L89-I121 HydrophobicContact CD2-CB 3.67Å; L89-I121 HydrophobicContact CD2-CG1 4.09Å; L89-I121 HydrophobicContact CD2-CG2 4.24Å; L89-V123 HydrophobicContact CB-CG2 4.29Å; L89-V123 HydrophobicContact CD2-CG2 4.19Å; L89-V178 HydrophobicContact CD1-CG1 3.82Å; L89-V178 HydrophobicContact CD2-CG1 4.19Å; L89-F179 HydrophobicContact CD1-CD1 4.43Å; L89-F179 HydrophobicContact CD1-CE1 3.9Å; L89-F179 HydrophobicContact CD1-CZ 4.41Å; L89-A182 HydrophobicContact CD2-CB 3.96Å
90I98.8Very high98Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-96.5113.2166.3-60.9-177.5000107.4V19 V103 W107 V111 I120 I121 L122 V123V19-I90 HydrophobicContact CG2-CB 4.39Å; V19-I90 HydrophobicContact CG2-CG1 3.76Å; I90-V103 HydrophobicContact CG2-CG1 4.11Å; I90-V103 HydrophobicContact CG2-CG2 4.16Å; I90-W107 HydrophobicContact CD1-CB 4.39Å; I90-W107 HydrophobicContact CG2-CB 3.76Å; I90-W107 HydrophobicContact CG2-CG 4.4Å; I90-V111 HydrophobicContact CD1-CG2 4.24Å; I90-V111 HydrophobicContact CG1-CG2 4.44Å; I90-I120 HydrophobicContact CB-CG2 4.37Å; I90-I120 HydrophobicContact CD1-CD1 4.03Å; I90-I120 HydrophobicContact CD1-CG2 3.75Å; I90-I120 HydrophobicContact CG1-CG2 3.83Å; I90-I121 PolarHBondContact N-O 3.1Å; I90-L122 HydrophobicContact CB-CD1 4.37Å; I90-L122 HydrophobicContact CG2-CD1 4.26Å; I90-V123 PolarHBondContact O-N 3.24Å
91C98.9Very high98.2Very high0 Ų027.4 Ų27.40%016%0.157CC..EExtended strand (participates in β ladder)trans-102.2138.3-176.7-650000111.9V18 V19 G20 V24 K26 V123 T125V18-C91 VanDerWaalsContact CG1-SG 3.54Å; V19-C91 PolarHBondContact O-N 3.23Å; G20-C91 WeakPolarHBondContact CA-O 3.44Å; V24-C91 HydrophobicContact CG2-CB 4.07Å; K26-C91 HydrophobicContact CG-CB 4.07Å; C91-V123 WeakPolarHBondContact CA-O 3.3Å; C91-T125 HydrophobicContact CB-CG2 4.16Å
92F98.9Very high98.4Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-135.7156.8165.372.9-85.3000109.4L94 S99 F100 V103 L122 V123 G124 T125 I147 Y164F92-L94 HydrophobicContact CE2-CD2 3.75Å; F92-L94 HydrophobicContact CZ-CD2 4.01Å; F92-S99 WeakPolarHBondContact CB-O 3.36Å; F92-F100 HydrophobicContact CD1-CD2 4.17Å; F92-F100 HydrophobicContact CD2-CB 3.75Å; F92-F100 AromaticContact CD2-CD2 3.71Å; F92-F100 HydrophobicContact CD2-CD2 3.71Å; F92-F100 HydrophobicContact CD2-CG 4.19Å; F92-F100 AromaticContact CE1-CD2 3.92Å; F92-F100 HydrophobicContact CE1-CD2 3.92Å; F92-F100 HydrophobicContact CE1-CE2 4.29Å; F92-F100 HydrophobicContact CE2-CB 4.14Å; F92-F100 AromaticContact CE2-CD2 3.43Å; F92-F100 HydrophobicContact CE2-CD2 3.43Å; F92-F100 VanDerWaalsContact CE2-CD2 3.43Å; F92-F100 HydrophobicContact CE2-CE2 4.21Å; F92-F100 HydrophobicContact CE2-CG 4.14Å; F92-F100 HydrophobicContact CG-CB 4.3Å; F92-F100 HydrophobicContact CG-CD2 4.06Å; F92-F100 AromaticContact CZ-CD2 3.54Å; F92-F100 HydrophobicContact CZ-CD2 3.54Å; F92-F100 AromaticContact CZ-CE2 3.92Å; F92-F100 HydrophobicContact CZ-CE2 3.92Å; F92-V103 HydrophobicContact CB-CG2 3.97Å; F92-V103 HydrophobicContact CD1-CG2 4.11Å; F92-V103 HydrophobicContact CG-CG2 4.3Å; F92-L122 HydrophobicContact CD1-CD1 3.89Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CE1-CD1 4.01Å; F92-L122 HydrophobicContact CE1-CD2 4.19Å; F92-L122 HydrophobicContact CE1-CG 3.95Å; F92-V123 WeakPolarHBondContact CD1-O 3.36Å; F92-V123 PolarHBondContact N-O 3.39Å; F92-G124 CarbonylContact O-C 3.59Å; F92-G124 WeakPolarHBondContact O-CA 3.49Å; F92-T125 PolarHBondContact O-N 3.43Å; F92-T125 PolarHBondContact O-OG1 3.47Å; F92-I147 HydrophobicContact CE2-CB 4.04Å; F92-I147 HydrophobicContact CE2-CG1 4.12Å; F92-I147 HydrophobicContact CE2-CG2 3.84Å; F92-I147 HydrophobicContact CZ-CG2 4.21Å; F92-Y164 AromaticContact CE1-CE2 3.81Å; F92-Y164 HydrophobicContact CE1-CE2 3.81Å; F92-Y164 AromaticContact CZ-CE2 3.91Å; F92-Y164 HydrophobicContact CZ-CE2 3.91Å
93S98.8Very high98.4Very high3 Ų329.2 Ų29.22%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-89.4130.2177.4162.70000110.5V95 S96 S99 T125S93-V95 PolarHBondContact O-N 2.78Å; S93-V95 WeakPolarHBondContact OG-CG2 3.17Å; S93-V95 PolarHBondContact OG-N 3Å; S93-S96 PolarHBondContact O-N 3.27Å; S93-S99 PolarHBondContact N-OG 2.96Å; S93-T125 WeakPolarHBondContact CA-OG1 3.19Å
94L98.8Very high98.5Very high0 Ų031.1 Ų31.10%016%0.163CC..THydrogen-bonded Turntrans-59.2-22178.1-69.1174.3000113F92 T125 L127 P146 I147 E166F92-L94 HydrophobicContact CE2-CD2 3.75Å; F92-L94 HydrophobicContact CZ-CD2 4.01Å; L94-T125 WeakPolarHBondContact CB-O 3.32Å; L94-T125 WeakPolarHBondContact CG-O 3.32Å; L94-T125 PolarHBondContact N-O 3.43Å; L94-L127 HydrophobicContact CD1-CB 3.91Å; L94-L127 HydrophobicContact CD1-CD1 3.66Å; L94-L127 HydrophobicContact CD1-CG 4.41Å; L94-P146 CarbonylContact O-C 3.59Å; L94-P146 WeakPolarHBondContact O-CA 3.44Å; L94-I147 HydrophobicContact CD2-CB 4.21Å; L94-I147 HydrophobicContact CD2-CG2 4.49Å; L94-I147 PolarHBondContact O-N 3.42Å; L94-E166 HydrophobicContact CD1-CB 4.29Å; L94-E166 HydrophobicContact CD1-CG 4.18Å; L94-E166 HydrophobicContact CD2-CG 4.35Å
95V98.5Very high98.6Very high11 Ų1126.1 Ų26.17%0.06715%0.152CC..THydrogen-bonded Turntrans-107.220177.9-60.10000113.2S93 K126 L129 T135 L139 P146S93-V95 PolarHBondContact O-N 2.78Å; S93-V95 WeakPolarHBondContact OG-CG2 3.17Å; S93-V95 PolarHBondContact OG-N 3Å; V95-K126 HydrophobicContact CG2-CD 4.48Å; V95-L129 HydrophobicContact CB-CB 4.46Å; V95-L129 HydrophobicContact CG1-CB 3.71Å; V95-L129 WeakPolarHBondContact CG1-O 3.47Å; V95-L129 HydrophobicContact CG2-CB 4.01Å; V95-L129 HydrophobicContact CG2-CD1 3.9Å; V95-T135 HydrophobicContact CB-CG2 3.62Å; V95-T135 HydrophobicContact CG1-CG2 3.55Å; V95-T135 HydrophobicContact CG2-CG2 4.13Å; V95-L139 HydrophobicContact CB-CD1 4.14Å; V95-P146 HydrophobicContact CG1-CB 4.41Å
96S98.5Very high98.6Very high42 Ų4227.5 Ų27.529%0.29416%0.157SC..  trans-133.789.2172.7179.60000110.4S93 A98 S99 F100S93-S96 PolarHBondContact O-N 3.27Å; S96-A98 PolarHBondContact O-N 3.14Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact O-N 2.83Å; S96-S99 PolarHBondContact O-OG 3.17Å; S96-S99 PolarHBondContact OG-OG 3.37Å; S96-F100 PolarHBondContact O-N 2.66Å
97P98.4Very high98.6Very high21 Ų2124.6 Ų24.614%0.13614%0.141CC..Hα-helixtrans-57.1-33.3179-29.438000114.2S99 F100 E101 L144 S145 I147P97-S99 VanDerWaalsContact C-N 3.33Å; P97-S99 PolarHBondContact O-N 2.87Å; P97-F100 WeakPolarHBondContact O-CB 3.26Å; P97-F100 PolarHBondContact O-N 3.25Å; P97-F100 VanDerWaalsContact O-N 3.15Å; P97-E101 WeakPolarHBondContact O-CG 3.26Å; P97-E101 PolarHBondContact O-N 2.76Å; P97-L144 HydrophobicContact CB-CD2 4.39Å; P97-L144 HydrophobicContact CG-CB 4.24Å; P97-L144 HydrophobicContact CG-CD1 4.25Å; P97-L144 HydrophobicContact CG-CD2 4.37Å; P97-S145 WeakPolarHBondContact CG-O 3.46Å; P97-I147 HydrophobicContact CB-CD1 4.16Å; P97-I147 HydrophobicContact CG-CD1 4.27Å
98A98.3Very high98.6Very high61 Ų6128 Ų2850%0.50416%0.155SC..Hα-helixtrans-59.2-43.6173.800000112.1S96 F100 E101 N102S96-A98 PolarHBondContact O-N 3.14Å; A98-F100 PolarHBondContact O-N 3.17Å; A98-E101 PolarHBondContact O-N 3.24Å; A98-N102 PolarHBondContact O-N 2.66Å; A98-N102 PolarHBondContact O-ND2 2.88Å
99S98.8Very high98.6Very high1 Ų130.8 Ų30.81%0.00717%0.173CC..Hα-helixtrans-66.1-28.2177.6720000113.3D21 F92 S93 S96 P97D21-S99 VanDerWaalsContact OD2-CA 3.25Å; D21-S99 WeakPolarHBondContact OD2-CA 3.22Å; D21-S99 WeakPolarHBondContact OD2-CB 3.32Å; F92-S99 WeakPolarHBondContact CB-O 3.36Å; S93-S99 PolarHBondContact N-OG 2.96Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact O-N 2.83Å; S96-S99 PolarHBondContact O-OG 3.17Å; S96-S99 PolarHBondContact OG-OG 3.37Å; P97-S99 VanDerWaalsContact C-N 3.33Å; P97-S99 PolarHBondContact O-N 2.87Å
100F98.8Very high98.6Very high12 Ų1232.2 Ų32.25%0.05318%0.179CC..Hα-helixtrans-70.7-43.1174.4177.6-110000111.5F92 S96 P97 A98 N102 V103 I147 Q151 M155F92-F100 HydrophobicContact CD1-CD2 4.17Å; F92-F100 HydrophobicContact CD2-CB 3.75Å; F92-F100 AromaticContact CD2-CD2 3.71Å; F92-F100 HydrophobicContact CD2-CD2 3.71Å; F92-F100 HydrophobicContact CD2-CG 4.19Å; F92-F100 AromaticContact CE1-CD2 3.92Å; F92-F100 HydrophobicContact CE1-CD2 3.92Å; F92-F100 HydrophobicContact CE1-CE2 4.29Å; F92-F100 HydrophobicContact CE2-CB 4.14Å; F92-F100 AromaticContact CE2-CD2 3.43Å; F92-F100 HydrophobicContact CE2-CD2 3.43Å; F92-F100 VanDerWaalsContact CE2-CD2 3.43Å; F92-F100 HydrophobicContact CE2-CE2 4.21Å; F92-F100 HydrophobicContact CE2-CG 4.14Å; F92-F100 HydrophobicContact CG-CB 4.3Å; F92-F100 HydrophobicContact CG-CD2 4.06Å; F92-F100 AromaticContact CZ-CD2 3.54Å; F92-F100 HydrophobicContact CZ-CD2 3.54Å; F92-F100 AromaticContact CZ-CE2 3.92Å; F92-F100 HydrophobicContact CZ-CE2 3.92Å; S96-F100 PolarHBondContact O-N 2.66Å; P97-F100 WeakPolarHBondContact O-CB 3.26Å; P97-F100 PolarHBondContact O-N 3.25Å; P97-F100 VanDerWaalsContact O-N 3.15Å; A98-F100 PolarHBondContact O-N 3.17Å; F100-N102 VanDerWaalsContact C-N 3.32Å; F100-N102 PolarHBondContact O-N 3.43Å; F100-V103 VanDerWaalsContact O-CB 3.25Å; F100-V103 WeakPolarHBondContact O-CB 3.46Å; F100-V103 WeakPolarHBondContact O-CG2 3.42Å; F100-V103 PolarHBondContact O-N 3.37Å; F100-I147 HydrophobicContact CB-CD1 3.99Å; F100-I147 HydrophobicContact CB-CG1 3.94Å; F100-I147 HydrophobicContact CD1-CD1 3.78Å; F100-I147 HydrophobicContact CD1-CG1 4.38Å; F100-I147 HydrophobicContact CD2-CG2 4.08Å; F100-I147 HydrophobicContact CE1-CD1 4.45Å; F100-I147 HydrophobicContact CE2-CG2 4.11Å; F100-I147 HydrophobicContact CG-CD1 3.93Å; F100-I147 HydrophobicContact CG-CG1 4.03Å; F100-I147 HydrophobicContact CG-CG2 4.28Å; F100-I147 HydrophobicContact CZ-CG2 4.33Å; F100-Q151 HydrophobicContact CE1-CB 4.4Å; F100-Q151 HydrophobicContact CZ-CB 4.1Å; F100-Q151 WeakPolarHBondContact CZ-O 3.2Å; F100-M155 HydrophobicContact CD1-CE 4.23Å; F100-M155 HydrophobicContact CD2-CE 4.39Å; F100-M155 HydrophobicContact CE1-CE 3.77Å; F100-M155 HydrophobicContact CE2-CB 3.56Å; F100-M155 HydrophobicContact CE2-CE 3.95Å; F100-M155 HydrophobicContact CE2-CG 3.84Å; F100-M155 HydrophobicContact CZ-CB 3.62Å; F100-M155 HydrophobicContact CZ-CE 3.63Å; F100-M155 HydrophobicContact CZ-CG 4.18Å
101E98.6Very high98.6Very high76 Ų7632.2 Ų32.236%0.35518%0.179SC..Hα-helixtrans-64.4-37.1174.8-67-57.3144.900112.4P97 A98 V103 R104 A105P97-E101 WeakPolarHBondContact O-CG 3.26Å; P97-E101 PolarHBondContact O-N 2.76Å; A98-E101 PolarHBondContact O-N 3.24Å; E101-V103 PolarHBondContact O-N 2.68Å; E101-V103 VanDerWaalsContact O-N 3.17Å; E101-R104 WeakPolarHBondContact O-CG 3.4Å; E101-R104 PolarHBondContact O-N 3.38Å; E101-R104 IonicContact OE2-CZ 3.86Å; E101-R104 IonicContact OE2-NE 2.84Å; E101-R104 PolarHBondContact OE2-NE 3.17Å; E101-R104 IonicContact OE2-NH2 2.78Å; E101-R104 PolarHBondContact OE2-NH2 3.23Å; E101-A105 PolarHBondContact O-N 3.27Å
102N98.8Very high98.5Very high55 Ų5534.8 Ų34.829%0.29419%0.189SC..Hα-helixtrans-65-17.5177-73.6-20.4000113.6D21 A98 F100 K106 W107D21-N102 WeakPolarHBondContact OD1-CB 3.49Å; D21-N102 PolarHBondContact OD1-ND2 2.9Å; D21-N102 PolarHBondContact OD2-ND2 3.07Å; A98-N102 PolarHBondContact O-N 2.66Å; A98-N102 PolarHBondContact O-ND2 2.88Å; F100-N102 VanDerWaalsContact C-N 3.32Å; F100-N102 PolarHBondContact O-N 3.43Å; N102-K106 WeakPolarHBondContact O-CA 3.16Å; N102-K106 WeakPolarHBondContact O-CB 3.49Å; N102-K106 PolarHBondContact O-N 2.86Å; N102-W107 VanDerWaalsContact O-CD1 3.28Å; N102-W107 PolarHBondContact O-N 2.99Å
103V98.8Very high98.5Very high0 Ų042.1 Ų42.10%022%0.223CC..Iπ-helixtrans-56-53.7171.3173.90000110.2I90 F92 F100 E101 Y108 L122 M155 I159I90-V103 HydrophobicContact CG2-CG1 4.11Å; I90-V103 HydrophobicContact CG2-CG2 4.16Å; F92-V103 HydrophobicContact CB-CG2 3.97Å; F92-V103 HydrophobicContact CD1-CG2 4.11Å; F92-V103 HydrophobicContact CG-CG2 4.3Å; F100-V103 VanDerWaalsContact O-CB 3.25Å; F100-V103 WeakPolarHBondContact O-CB 3.46Å; F100-V103 WeakPolarHBondContact O-CG2 3.42Å; F100-V103 PolarHBondContact O-N 3.37Å; E101-V103 PolarHBondContact O-N 2.68Å; E101-V103 VanDerWaalsContact O-N 3.17Å; V103-Y108 WeakPolarHBondContact O-CB 3.13Å; V103-Y108 PolarHBondContact O-N 3.13Å; V103-L122 HydrophobicContact CG1-CD1 3.75Å; V103-L122 HydrophobicContact CG2-CD1 4.05Å; V103-M155 HydrophobicContact CB-CG 4.36Å; V103-M155 HydrophobicContact CB-SD 4.21Å; V103-M155 HydrophobicContact CG1-CG 3.88Å; V103-M155 HydrophobicContact CG1-SD 3.95Å; V103-I159 HydrophobicContact CG1-CD1 3.95Å; V103-I159 HydrophobicContact CG1-CG2 4.39Å
104R98.3Very high98.4Very high119 Ų11946.1 Ų46.145%0.44924%0.241SC..Iπ-helixtrans-77.7-33.4-179.660.5174.7-179.2177.94113E101 P109 M155E101-R104 WeakPolarHBondContact O-CG 3.4Å; E101-R104 PolarHBondContact O-N 3.38Å; E101-R104 IonicContact OE2-CZ 3.86Å; E101-R104 IonicContact OE2-NE 2.84Å; E101-R104 PolarHBondContact OE2-NE 3.17Å; E101-R104 IonicContact OE2-NH2 2.78Å; E101-R104 PolarHBondContact OE2-NH2 3.23Å; R104-P109 VanDerWaalsContact O-CD 3.29Å; R104-P109 WeakPolarHBondContact O-CD 3.34Å; R104-P109 VanDerWaalsContact O-CG 3.28Å; R104-P109 WeakPolarHBondContact O-CG 3.49Å; R104-M155 HydrophobicContact CB-CE 4.36Å; R104-M155 HydrophobicContact CB-SD 3.97Å; R104-M155 HydrophobicContact CG-CE 4.14Å; R104-M155 HydrophobicContact CG-SD 4.41Å
105A98.1Very high98.3Very high74 Ų7446.8 Ų46.861%0.61225%0.246SC*.Iπ-helixtrans-80.1-30.8-174.100000113.4E101E101-A105 PolarHBondContact O-N 3.27Å
106K98.1Very high98.2Very high40 Ų4050.1 Ų50.117%0.17427%0.268CS..Iπ-helixtrans-129.8-62.9-172.2178.8173.8180162.90113.2D75 N102 P109 E110D75-K106 VanDerWaalsContact CG-NZ 3.3Å; D75-K106 WeakPolarHBondContact OD1-CE 3.37Å; D75-K106 IonicContact OD1-NZ 2.64Å; D75-K106 PolarHBondContact OD1-NZ 3.26Å; D75-K106 IonicContact OD2-NZ 3.27Å; D75-K106 PolarHBondContact OD2-NZ 3.3Å; N102-K106 WeakPolarHBondContact O-CA 3.16Å; N102-K106 WeakPolarHBondContact O-CB 3.49Å; N102-K106 PolarHBondContact O-N 2.86Å; K106-P109 WeakPolarHBondContact O-CD 3.43Å; K106-E110 WeakPolarHBondContact O-CB 3.25Å; K106-E110 PolarHBondContact O-N 2.86Å
107W98.6Very high98Very high1 Ų155.4 Ų55.40%0.00429%0.293CS..Iπ-helixtrans-68.4-44.9-164.6-61.7111.5000113.4V19 G20 D21 R78 I90 N102 E110 V111V19-W107 HydrophobicContact CB-CE3 3.85Å; V19-W107 HydrophobicContact CB-CZ3 4.14Å; V19-W107 HydrophobicContact CG2-CE3 4.14Å; G20-W107 WeakPolarHBondContact O-CH2 3.48Å; G20-W107 VanDerWaalsContact O-CZ2 3.23Å; G20-W107 WeakPolarHBondContact O-CZ2 3.46Å; D21-W107 PolarHBondContact OD1-NE1 3.35Å; R78-W107 VanDerWaalsContact CZ-CH2 3.47Å; R78-W107 VanDerWaalsContact CZ-CZ3 3.43Å; I90-W107 HydrophobicContact CD1-CB 4.39Å; I90-W107 HydrophobicContact CG2-CB 3.76Å; I90-W107 HydrophobicContact CG2-CG 4.4Å; N102-W107 VanDerWaalsContact O-CD1 3.28Å; N102-W107 PolarHBondContact O-N 2.99Å; W107-E110 PolarHBondContact O-N 2.92Å; W107-V111 WeakPolarHBondContact O-CB 3.46Å; W107-V111 WeakPolarHBondContact O-CG2 3.37Å; W107-V111 PolarHBondContact O-N 3.22Å
108Y98.7Very high98Very high72 Ų7255.5 Ų55.528%0.28229%0.293SS..Hα-helixtrans-63.9-50.2176.7167.5-106.9000112.3V103 E110 V111 R112 I120 I159V103-Y108 WeakPolarHBondContact O-CB 3.13Å; V103-Y108 PolarHBondContact O-N 3.13Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.2Å; Y108-V111 PolarHBondContact O-N 3.22Å; Y108-R112 HydrophobicContact CD2-CG 3.72Å; Y108-R112 HydrophobicContact CE1-CG 4.38Å; Y108-R112 HydrophobicContact CE2-CG 3.29Å; Y108-R112 HydrophobicContact CG-CG 4.45Å; Y108-R112 WeakPolarHBondContact O-CB 3.4Å; Y108-R112 WeakPolarHBondContact O-CG 3.19Å; Y108-R112 PolarHBondContact O-N 2.9Å; Y108-I120 HydrophobicContact CD2-CD1 4.04Å; Y108-I120 HydrophobicContact CE2-CD1 4.39Å; Y108-I159 HydrophobicContact CD1-CB 4.24Å; Y108-I159 HydrophobicContact CD1-CG2 4.04Å; Y108-I159 HydrophobicContact CD2-CB 3.6Å; Y108-I159 HydrophobicContact CD2-CG1 4.47Å; Y108-I159 HydrophobicContact CD2-CG2 4.16Å; Y108-I159 HydrophobicContact CE1-CB 4.48Å; Y108-I159 HydrophobicContact CE2-CB 3.83Å; Y108-I159 WeakPolarHBondContact CE2-O 3.46Å; Y108-I159 HydrophobicContact CG-CB 3.79Å; Y108-I159 HydrophobicContact CG-CG2 3.8Å
109P98.5Very high98Very high58 Ų5854 Ų5438%0.37728%0.278SS..Hα-helixtrans-54.6-44.4173.6-28.334.5000113.8R104 K106 R112 H113R104-P109 VanDerWaalsContact O-CD 3.29Å; R104-P109 WeakPolarHBondContact O-CD 3.34Å; R104-P109 VanDerWaalsContact O-CG 3.28Å; R104-P109 WeakPolarHBondContact O-CG 3.49Å; K106-P109 WeakPolarHBondContact O-CD 3.43Å; P109-R112 PolarHBondContact O-N 2.97Å; P109-H113 WeakPolarHBondContact O-CB 3.39Å; P109-H113 PolarHBondContact O-N 2.98Å
110E98.4Very high98Very high30 Ų3053.9 Ų53.914%0.1428%0.277CS..Hα-helixtrans-63-50.7179.9-173-178.8119.700111.7R78 Y82 K106 W107 Y108 R112 H113 H114R78-E110 WeakPolarHBondContact CD-OE1 3.45Å; R78-E110 IonicContact CZ-OE1 2.94Å; R78-E110 IonicContact NH1-OE1 2.82Å; R78-E110 PolarHBondContact NH1-OE1 2.63Å; R78-E110 IonicContact NH1-OE2 3.03Å; R78-E110 PolarHBondContact NH1-OE2 3.18Å; Y82-E110 HydrophobicContact CE2-CG 4.25Å; Y82-E110 PolarHBondContact OH-OE1 2.86Å; K106-E110 WeakPolarHBondContact O-CB 3.25Å; K106-E110 PolarHBondContact O-N 2.86Å; W107-E110 PolarHBondContact O-N 2.92Å; Y108-E110 VanDerWaalsContact C-N 3.33Å; Y108-E110 PolarHBondContact O-N 3.2Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.47Å; E110-H113 WeakPolarHBondContact O-CB 3.48Å; E110-H113 PolarHBondContact O-N 2.87Å; E110-H114 PolarHBondContact O-CD2 2.79Å; E110-H114 PolarHBondContact O-N 2.86Å
111V98.3Very high97.9Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-59.8-43177.5170.20000110.7V19 F88 I90 W107 Y108 H114 C115 I120V19-V111 HydrophobicContact CG2-CG2 3.9Å; F88-V111 HydrophobicContact CB-CG1 4.3Å; F88-V111 HydrophobicContact CD1-CG1 4.2Å; F88-V111 HydrophobicContact CD1-CG2 3.98Å; F88-V111 HydrophobicContact CD2-CG1 3.65Å; F88-V111 HydrophobicContact CE1-CG1 4.46Å; F88-V111 HydrophobicContact CE1-CG2 4.24Å; F88-V111 HydrophobicContact CE2-CG1 3.96Å; F88-V111 HydrophobicContact CG-CG1 3.79Å; F88-V111 HydrophobicContact CG-CG2 4.3Å; F88-V111 HydrophobicContact CZ-CG1 4.35Å; I90-V111 HydrophobicContact CD1-CG2 4.24Å; I90-V111 HydrophobicContact CG1-CG2 4.44Å; W107-V111 WeakPolarHBondContact O-CB 3.46Å; W107-V111 WeakPolarHBondContact O-CG2 3.37Å; W107-V111 PolarHBondContact O-N 3.22Å; Y108-V111 PolarHBondContact O-N 3.22Å; V111-H114 PolarHBondContact O-N 3.48Å; V111-C115 CarbonylContact O-C 3.53Å; V111-C115 WeakPolarHBondContact O-CA 3.47Å; V111-C115 WeakPolarHBondContact O-CB 3.36Å; V111-C115 PolarHBondContact O-N 3.06Å; V111-I120 HydrophobicContact CB-CD1 4.43Å; V111-I120 HydrophobicContact CG1-CD1 3.74Å; V111-I120 HydrophobicContact CG1-CG1 4.12Å
112R97.8Very high98Very high55 Ų5549.8 Ų49.821%0.20826%0.258CS..Hα-helixtrans-70.9-29.6179.7-72.1-64.7179.3-132.4-0.8113.7Y108 P109 E110 P116 T118 I120Y108-R112 HydrophobicContact CD2-CG 3.72Å; Y108-R112 HydrophobicContact CE1-CG 4.38Å; Y108-R112 HydrophobicContact CE2-CG 3.29Å; Y108-R112 HydrophobicContact CG-CG 4.45Å; Y108-R112 WeakPolarHBondContact O-CB 3.4Å; Y108-R112 WeakPolarHBondContact O-CG 3.19Å; Y108-R112 PolarHBondContact O-N 2.9Å; P109-R112 PolarHBondContact O-N 2.97Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.47Å; R112-P116 PolarHBondContact NH1-O 2.8Å; R112-P116 WeakPolarHBondContact O-CA 3.34Å; R112-T118 PolarHBondContact NH1-O 3.17Å; R112-I120 VanDerWaalsContact NH2-CD1 3.31Å
113H97.6Very high98Very high153 Ų15347.1 Ų47.171%0.70824%0.244SC*.Hα-helixtrans-63.7-45.9174.8179.973.6000111.3P109 E110P109-H113 WeakPolarHBondContact O-CB 3.39Å; P109-H113 PolarHBondContact O-N 2.98Å; E110-H113 WeakPolarHBondContact O-CB 3.48Å; E110-H113 PolarHBondContact O-N 2.87Å
114H97.7Very high98Very high87 Ų8747.1 Ų47.140%0.40324%0.244SC..Hα-helixtrans-88.2-31.2-177.4-70.6-75.2000114.2Y82 E110 V111Y82-H114 HydrophobicContact CD2-CB 3.65Å; Y82-H114 AromaticContact CD2-CD2 3.93Å; Y82-H114 AromaticContact CD2-CG 3.85Å; Y82-H114 HydrophobicContact CE2-CB 4.38Å; Y82-H114 AromaticContact CE2-CD2 3.97Å; E110-H114 PolarHBondContact O-CD2 2.79Å; E110-H114 PolarHBondContact O-N 2.86Å; V111-H114 PolarHBondContact O-N 3.48Å
115C97.1Very high98Very high14 Ų1441.7 Ų41.710%0.09522%0.224CC..  trans-137.773-171.9-67.80000110.7F88 V111 N117 T118F88-C115 HydrophobicContact CE2-CB 3.58Å; F88-C115 HydrophobicContact CZ-CB 4.12Å; V111-C115 CarbonylContact O-C 3.53Å; V111-C115 WeakPolarHBondContact O-CA 3.47Å; V111-C115 WeakPolarHBondContact O-CB 3.36Å; V111-C115 PolarHBondContact O-N 3.06Å; C115-N117 VanDerWaalsContact C-N 3.27Å; C115-N117 PolarHBondContact O-N 3.22Å; C115-T118 PolarHBondContact O-N 3.04Å
116P96.1Very high98Very high82 Ų8241.3 Ų41.353%0.53221%0.209SC..THydrogen-bonded Turntrans-64-28.4-168.423-34.3000114.3R112R112-P116 PolarHBondContact NH1-O 2.8Å; R112-P116 WeakPolarHBondContact O-CA 3.34Å
117N94.4Very high98Very high153 Ų15340.1 Ų40.182%0.81820%0.204SC*.THydrogen-bonded Turntrans-109.1-5.3-173.5-59.7-43.5000114C115C115-N117 VanDerWaalsContact C-N 3.27Å; C115-N117 PolarHBondContact O-N 3.22Å
118T97.6Very high98Very high23 Ų2342.5 Ų42.514%0.14122%0.217CC..SBendtrans-71.9132.7-175.8-55.80000110.1T85 D86 F88 R112 C115T85-T118 HydrophobicContact CG2-CG2 4.18Å; T85-T118 VanDerWaalsContact O-CG2 3.23Å; T85-T118 WeakPolarHBondContact O-CG2 3.44Å; T85-T118 PolarHBondContact O-OG1 3.21Å; D86-T118 WeakPolarHBondContact O-CG2 3.45Å; F88-T118 HydrophobicContact CD2-CG2 3.51Å; F88-T118 HydrophobicContact CE2-CG2 3.73Å; R112-T118 PolarHBondContact NH1-O 3.17Å; C115-T118 PolarHBondContact O-N 3.04Å
119P98.1Very high98Very high28 Ų2841.3 Ų41.318%0.18222%0.215CC..  trans-60.8146.7177.824.3-34.2000111.6D86 V87 F88 V162 A185D86-P119 WeakPolarHBondContact O-CD 3.33Å; D86-P119 WeakPolarHBondContact O-CG 3.47Å; V87-P119 HydrophobicContact CB-CG 4.21Å; V87-P119 HydrophobicContact CG2-CG 4.23Å; F88-P119 PolarHBondContact N-O 2.59Å; P119-V162 HydrophobicContact CB-CG2 3.76Å; P119-A185 HydrophobicContact CB-CB 4.19Å
120I98.7Very high98Very high0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-122.8132.5179.6-63177.1000108.4F88 I90 Y108 V111 R112 I159 A161 V162F88-I120 HydrophobicContact CB-CG1 4.29Å; F88-I120 WeakPolarHBondContact O-CA 3.4Å; I90-I120 HydrophobicContact CB-CG2 4.37Å; I90-I120 HydrophobicContact CD1-CD1 4.03Å; I90-I120 HydrophobicContact CD1-CG2 3.75Å; I90-I120 HydrophobicContact CG1-CG2 3.83Å; Y108-I120 HydrophobicContact CD2-CD1 4.04Å; Y108-I120 HydrophobicContact CE2-CD1 4.39Å; V111-I120 HydrophobicContact CB-CD1 4.43Å; V111-I120 HydrophobicContact CG1-CD1 3.74Å; V111-I120 HydrophobicContact CG1-CG1 4.12Å; R112-I120 VanDerWaalsContact NH2-CD1 3.31Å; I120-I159 HydrophobicContact CG2-CD1 4.42Å; I120-A161 HydrophobicContact CG2-CB 4.35Å; I120-A161 CarbonylContact O-C 3.58Å; I120-A161 WeakPolarHBondContact O-CA 3.18Å; I120-V162 PolarHBondContact O-N 2.89Å
121I98.7Very high97.9Very high1 Ų145 Ų451%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-105.8127.4163.2-52.6-64000107.6V87 F88 L89 I90 V123 V162 K163 L165 A182 A185V87-I121 HydrophobicContact CG2-CG1 4.28Å; F88-I121 PolarHBondContact O-N 3.01Å; L89-I121 WeakPolarHBondContact CA-O 3.14Å; L89-I121 HydrophobicContact CD2-CB 3.67Å; L89-I121 HydrophobicContact CD2-CG1 4.09Å; L89-I121 HydrophobicContact CD2-CG2 4.24Å; I90-I121 PolarHBondContact N-O 3.1Å; I121-V123 HydrophobicContact CG2-CG2 3.95Å; I121-V162 HydrophobicContact CD1-CB 3.96Å; I121-V162 HydrophobicContact CD1-CG1 4.35Å; I121-K163 HydrophobicContact CD1-CB 3.99Å; I121-L165 HydrophobicContact CG2-CD1 4Å; I121-L165 HydrophobicContact CG2-CG 4.48Å; I121-A182 HydrophobicContact CG1-CB 4.21Å; I121-A185 HydrophobicContact CD1-CB 4.29Å
122L98.9Very high97.8Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-87.3128.3172-177.665.8000108.9I90 F92 V103 M155 A156 I159 A161 K163 Y164 L165I90-L122 HydrophobicContact CB-CD1 4.37Å; I90-L122 HydrophobicContact CG2-CD1 4.26Å; F92-L122 HydrophobicContact CD1-CD1 3.89Å; F92-L122 HydrophobicContact CD1-CG 4.33Å; F92-L122 HydrophobicContact CE1-CD1 4.01Å; F92-L122 HydrophobicContact CE1-CD2 4.19Å; F92-L122 HydrophobicContact CE1-CG 3.95Å; V103-L122 HydrophobicContact CG1-CD1 3.75Å; V103-L122 HydrophobicContact CG2-CD1 4.05Å; L122-M155 HydrophobicContact CD2-CB 3.87Å; L122-M155 HydrophobicContact CD2-CG 3.68Å; L122-A156 HydrophobicContact CB-CB 4.3Å; L122-A156 HydrophobicContact CD2-CB 3.91Å; L122-I159 HydrophobicContact CB-CD1 4.43Å; L122-I159 HydrophobicContact CD1-CD1 4.25Å; L122-A161 HydrophobicContact CB-CB 4.18Å; L122-K163 PolarHBondContact N-O 3.24Å; L122-Y164 HydrophobicContact CB-CD2 4.12Å; L122-Y164 HydrophobicContact CD2-CD2 3.89Å; L122-Y164 HydrophobicContact CD2-CE2 4.33Å; L122-Y164 HydrophobicContact CG-CD2 3.88Å; L122-Y164 HydrophobicContact CG-CE2 4.31Å; L122-Y164 WeakPolarHBondContact O-CA 3.49Å; L122-Y164 WeakPolarHBondContact O-CD2 3.24Å; L122-L165 PolarHBondContact O-N 3.21Å
123V98.9Very high97.8Very high0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-125116.9-173.8-173.20000111.1L89 I90 C91 F92 I121 T125 L165 V178L89-V123 HydrophobicContact CB-CG2 4.29Å; L89-V123 HydrophobicContact CD2-CG2 4.19Å; I90-V123 PolarHBondContact O-N 3.24Å; C91-V123 WeakPolarHBondContact CA-O 3.3Å; F92-V123 WeakPolarHBondContact CD1-O 3.36Å; F92-V123 PolarHBondContact N-O 3.39Å; I121-V123 HydrophobicContact CG2-CG2 3.95Å; V123-T125 HydrophobicContact CG1-CG2 4.17Å; V123-L165 CarbonylContact C-O 3.44Å; V123-L165 WeakPolarHBondContact CA-O 3.39Å; V123-V178 HydrophobicContact CG1-CG1 4.35Å; V123-V178 HydrophobicContact CG1-CG2 4.04Å; V123-V178 HydrophobicContact CG2-CG1 3.86Å
124G98.9Very high97.8Very high0 Ų050.8 Ų50.80%026%0.263CS..EExtended strand (participates in β ladder)trans-86.6110.3168.100000111F92 L165 E166 C167F92-G124 CarbonylContact O-C 3.59Å; F92-G124 WeakPolarHBondContact O-CA 3.49Å; G124-L165 PolarHBondContact N-O 3.07Å; G124-E166 CarbonylContact O-C 3.6Å; G124-E166 VanDerWaalsContact O-CA 3.22Å; G124-E166 WeakPolarHBondContact O-CA 3.37Å; G124-C167 PolarHBondContact O-N 3.47Å
125T98.8Very high97.8Very high5 Ų547.1 Ų47.13%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-92.8169.4-178.1630000112.1V24 C91 F92 S93 L94 V123 L127 C167V24-T125 WeakPolarHBondContact O-CB 3.31Å; V24-T125 PolarHBondContact O-OG1 3.17Å; C91-T125 HydrophobicContact CB-CG2 4.16Å; F92-T125 PolarHBondContact O-N 3.43Å; F92-T125 PolarHBondContact O-OG1 3.47Å; S93-T125 WeakPolarHBondContact CA-OG1 3.19Å; L94-T125 WeakPolarHBondContact CB-O 3.32Å; L94-T125 WeakPolarHBondContact CG-O 3.32Å; L94-T125 PolarHBondContact N-O 3.43Å; V123-T125 HydrophobicContact CG1-CG2 4.17Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 2.84Å; T125-C167 CarbonylContact C-O 3.43Å; T125-C167 WeakPolarHBondContact CA-O 3.24Å
126K98.3Very high97.8Very high65 Ų6548.8 Ų48.828%0.28325%0.254SS..  trans60.141.2178.8-45.7-167.8-171.8-173.60113.1A23 V24 V95 D128 L129 C167A23-K126 VanDerWaalsContact O-CE 3.25Å; A23-K126 WeakPolarHBondContact O-CE 3.34Å; A23-K126 PolarHBondContact O-NZ 2.99Å; V24-K126 WeakPolarHBondContact O-CE 3.47Å; V95-K126 HydrophobicContact CG2-CD 4.48Å; K126-D128 PolarHBondContact O-N 3Å; K126-L129 HydrophobicContact CB-CD1 4.07Å; K126-L129 HydrophobicContact CB-CG 4.3Å; K126-L129 HydrophobicContact CD-CD1 3.98Å; K126-L129 PolarHBondContact O-N 2.79Å; K126-C167 PolarHBondContact N-O 2.78Å; K126-C167 VanDerWaalsContact N-O 3.11Å
127L98.7Very high97.9Very high15 Ų1549.7 Ų49.78%0.07925%0.251CS..G310 helixtrans-56.1-31.7178.4178.661.2000113.4L94 T125 L129 R130 E166 C167 R173L94-L127 HydrophobicContact CD1-CB 3.91Å; L94-L127 HydrophobicContact CD1-CD1 3.66Å; L94-L127 HydrophobicContact CD1-CG 4.41Å; T125-L127 VanDerWaalsContact C-N 3.34Å; T125-L127 PolarHBondContact O-N 2.84Å; L127-L129 PolarHBondContact O-N 2.92Å; L127-R130 WeakPolarHBondContact O-CB 3.49Å; L127-R130 PolarHBondContact O-N 2.91Å; L127-E166 HydrophobicContact CD1-CB 4.43Å; L127-E166 HydrophobicContact CD2-CB 4.28Å; L127-C167 WeakPolarHBondContact CB-O 3.23Å; L127-C167 PolarHBondContact N-O 2.89Å; L127-C167 VanDerWaalsContact N-O 3.08Å; L127-R173 HydrophobicContact CD2-CG 4.34Å
128D98.1Very high98Very high51 Ų5149.1 Ų49.127%0.27324%0.237SC..G310 helixtrans-57.2-29.117450.7-71.6000113.4K126 S168 T171K126-D128 PolarHBondContact O-N 3Å; D128-S168 VanDerWaalsContact CG-OG 3.24Å; D128-S168 WeakPolarHBondContact OD1-CB 3.38Å; D128-S168 PolarHBondContact OD1-OG 2.85Å; D128-T171 HydrophobicContact CB-CG2 4.08Å
129L98.2Very high98Very high47 Ų4748.5 Ų48.525%0.24623%0.234CC..G310 helixtrans-88.5-6.8-178.4-58.1-177.5000113.8V95 K126 L127 D131 D132 T135V95-L129 HydrophobicContact CB-CB 4.46Å; V95-L129 HydrophobicContact CG1-CB 3.71Å; V95-L129 WeakPolarHBondContact CG1-O 3.47Å; V95-L129 HydrophobicContact CG2-CB 4.01Å; V95-L129 HydrophobicContact CG2-CD1 3.9Å; K126-L129 HydrophobicContact CB-CD1 4.07Å; K126-L129 HydrophobicContact CB-CG 4.3Å; K126-L129 HydrophobicContact CD-CD1 3.98Å; K126-L129 PolarHBondContact O-N 2.79Å; L127-L129 PolarHBondContact O-N 2.92Å; L129-D131 VanDerWaalsContact C-N 3.3Å; L129-D131 PolarHBondContact O-N 2.66Å; L129-D132 HydrophobicContact CD2-CB 4.35Å; L129-D132 PolarHBondContact O-N 2.74Å; L129-T135 HydrophobicContact CB-CG2 4.3Å
130R98Very high98Very high39 Ų3954.9 Ų54.915%0.14725%0.254CS..SBendtrans-61.9-41.5-177.9174.1-179.5-76.4158.1-3.7111.8L127 P146 I147 E166L127-R130 WeakPolarHBondContact O-CB 3.49Å; L127-R130 PolarHBondContact O-N 2.91Å; R130-P146 HydrophobicContact CG-CB 4.12Å; R130-I147 PolarHBondContact NE-O 3.03Å; R130-I147 VanDerWaalsContact NE-O 3.17Å; R130-I147 PolarHBondContact NH2-O 3.24Å; R130-E166 IonicContact CZ-OE1 2.86Å; R130-E166 IonicContact CZ-OE2 2.66Å; R130-E166 IonicContact NH1-OE1 3.01Å; R130-E166 PolarHBondContact NH1-OE1 3.11Å; R130-E166 IonicContact NH1-OE2 2.63Å; R130-E166 PolarHBondContact NH1-OE2 3.15Å; R130-E166 IonicContact NH2-OE1 3.95Å; R130-E166 PolarHBondContact NH2-OE1 3.36Å; R130-E166 IonicContact NH2-OE2 3.43Å; R130-E166 PolarHBondContact NH2-OE2 2.92Å
131D96.1Very high97.9Very high126 Ų12661.4 Ų61.467%0.67429%0.289SS*.SBendtrans-103.57.6-176.4-57-45.1000112L129L129-D131 VanDerWaalsContact C-N 3.3Å; L129-D131 PolarHBondContact O-N 2.66Å
132D97.9Very high97.8Very high57 Ų5768.2 Ų68.231%0.30532%0.318SS..  trans-73.4126177.7174.161.7000111L129 T135 I136L129-D132 HydrophobicContact CD2-CB 4.35Å; L129-D132 PolarHBondContact O-N 2.74Å; D132-T135 PolarHBondContact O-N 2.99Å; D132-T135 WeakPolarHBondContact OD2-CB 3.11Å; D132-T135 PolarHBondContact OD2-N 2.87Å; D132-T135 PolarHBondContact OD2-OG1 2.9Å; D132-I136 WeakPolarHBondContact O-CB 3.39Å; D132-I136 WeakPolarHBondContact O-CD1 3.31Å; D132-I136 VanDerWaalsContact O-CG1 3.24Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 3.08Å
133K97.6Very high97.8Very high155 Ų15577.8 Ų77.867%0.67436%0.36SS*.Hα-helixtrans-62.5-49.4-171.6-68.5-176.9-179.4178.10111.9T135 I136 E137K133-T135 VanDerWaalsContact C-N 3.29Å; K133-T135 PolarHBondContact O-N 3.15Å; K133-I136 PolarHBondContact O-N 2.89Å; K133-E137 WeakPolarHBondContact O-CG 3.33Å; K133-E137 PolarHBondContact O-N 2.81Å
134D97.7Very high97.7Very high119 Ų11981.6 Ų81.664%0.63638%0.38SS*.Hα-helixtrans-63.4-40-177.8-62.8-5.7000110.6E137 R138D134-E137 PolarHBondContact O-N 3Å; D134-R138 WeakPolarHBondContact O-CB 3.11Å; D134-R138 PolarHBondContact O-N 3.37Å
135T97.2Very high97.7Very high10 Ų1084.9 Ų84.96%0.06140%0.403CS..Hα-helixtrans-64.7-43.6175.3-62.60000112.3V95 L129 D132 K133 L139V95-T135 HydrophobicContact CB-CG2 3.62Å; V95-T135 HydrophobicContact CG1-CG2 3.55Å; V95-T135 HydrophobicContact CG2-CG2 4.13Å; L129-T135 HydrophobicContact CB-CG2 4.3Å; D132-T135 PolarHBondContact O-N 2.99Å; D132-T135 WeakPolarHBondContact OD2-CB 3.11Å; D132-T135 PolarHBondContact OD2-N 2.87Å; D132-T135 PolarHBondContact OD2-OG1 2.9Å; K133-T135 VanDerWaalsContact C-N 3.29Å; K133-T135 PolarHBondContact O-N 3.15Å; T135-L139 HydrophobicContact CG2-CD1 4.23Å; T135-L139 WeakPolarHBondContact O-CG 3.27Å; T135-L139 PolarHBondContact O-N 2.92Å
136I97.5Very high97.7Very high48 Ų4885.5 Ų85.525%0.24641%0.407CS..Hα-helixtrans-62.5-45.1176.9-71.4164.6000110.8D132 K133 L139 R140 P146D132-I136 WeakPolarHBondContact O-CB 3.39Å; D132-I136 WeakPolarHBondContact O-CD1 3.31Å; D132-I136 VanDerWaalsContact O-CG1 3.24Å; D132-I136 WeakPolarHBondContact O-CG1 3.45Å; D132-I136 PolarHBondContact O-N 3.08Å; K133-I136 PolarHBondContact O-N 2.89Å; I136-L139 PolarHBondContact O-N 3.07Å; I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.43Å; I136-P146 HydrophobicContact CG1-CG 4.1Å
137E97.8Very high97.7Very high102 Ų10282.6 Ų82.648%0.47740%0.395SS..Hα-helixtrans-61.9-49179.1-73.8176.3-174.800111.2K133 D134 L139 R140 D141K133-E137 WeakPolarHBondContact O-CG 3.33Å; K133-E137 PolarHBondContact O-N 2.81Å; D134-E137 PolarHBondContact O-N 3Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.22Å; E137-R140 WeakPolarHBondContact O-CA 3.49Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 2.94Å; E137-D141 PolarHBondContact O-N 2.69Å
138R97.2Very high97.7Very high140 Ų14085 Ų8553%0.52841%0.41SS..Hα-helixtrans-59.8-35.4177-175.3-179.664.1143-1.4113.3D134D134-R138 WeakPolarHBondContact O-CB 3.11Å; D134-R138 PolarHBondContact O-N 3.37Å
139L97.4Very high97.7Very high11 Ų1187.9 Ų87.96%0.05842%0.418CS..Hα-helixtrans-71-41.3174.2-76.4171.5000111.1V95 T135 I136 E137 D141 K142 K143 L144 P146V95-L139 HydrophobicContact CB-CD1 4.14Å; T135-L139 HydrophobicContact CG2-CD1 4.23Å; T135-L139 WeakPolarHBondContact O-CG 3.27Å; T135-L139 PolarHBondContact O-N 2.92Å; I136-L139 PolarHBondContact O-N 3.07Å; E137-L139 VanDerWaalsContact C-N 3.27Å; E137-L139 PolarHBondContact O-N 3.22Å; L139-D141 VanDerWaalsContact C-N 3.3Å; L139-D141 PolarHBondContact O-N 2.79Å; L139-K142 CarbonylContact O-C 3.46Å; L139-K142 WeakPolarHBondContact O-CA 3.25Å; L139-K142 PolarHBondContact O-N 3.4Å; L139-K143 PolarHBondContact O-N 3.43Å; L139-L144 CarbonylContact C-O 3.56Å; L139-L144 VanDerWaalsContact C-O 3.22Å; L139-L144 HydrophobicContact CB-CB 4.27Å; L139-L144 HydrophobicContact CD2-CB 4.01Å; L139-L144 HydrophobicContact CD2-CD1 4.36Å; L139-L144 WeakPolarHBondContact O-CA 3.23Å; L139-L144 PolarHBondContact O-N 3.32Å; L139-P146 HydrophobicContact CD1-CG 3.84Å
140R97.3Very high97.7Very high162 Ų16290 Ų9061%0.61143%0.434SS*.Hα-helixtrans-60.7-38.6178.1-172.2-173.7-62.8157.12.8112.1I136 E137 K142 K143 L144I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.43Å; E137-R140 WeakPolarHBondContact O-CA 3.49Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 2.94Å; R140-K142 PolarHBondContact O-N 2.82Å; R140-K143 WeakPolarHBondContact O-CA 3.45Å; R140-K143 PolarHBondContact O-N 3.03Å; R140-L144 PolarHBondContact N-O 3.15Å
141D97.3Very high97.8Very high137 Ų13792 Ų9273%0.73345%0.445SS*.Hα-helixtrans-57.9-29.9174.8-69.1-16.8000112.4E137 L139E137-D141 PolarHBondContact O-N 2.69Å; L139-D141 VanDerWaalsContact C-N 3.3Å; L139-D141 PolarHBondContact O-N 2.79Å
142K97.1Very high97.9Very high144 Ų14486 Ų8663%0.62641%0.413SS*.THydrogen-bonded Turntrans-92.98.3175.3-60.4-175.7-179.2-174.80113.4L139 R140 L144L139-K142 CarbonylContact O-C 3.46Å; L139-K142 WeakPolarHBondContact O-CA 3.25Å; L139-K142 PolarHBondContact O-N 3.4Å; R140-K142 PolarHBondContact O-N 2.82Å; K142-L144 HydrophobicContact CB-CD1 4.12Å; K142-L144 HydrophobicContact CB-CG 4.21Å; K142-L144 PolarHBondContact O-N 2.89Å
143K97.7Very high97.9Very high201 Ų20185.9 Ų85.987%0.87441%0.412SS*.THydrogen-bonded Turntrans57.533.2-173.3-53.9178.1-178.8177.60113.1L139 R140L139-K143 PolarHBondContact O-N 3.43Å; R140-K143 WeakPolarHBondContact O-CA 3.45Å; R140-K143 PolarHBondContact O-N 3.03Å
144L97.8Very high98Very high79 Ų7981 Ų8141%0.41440%0.401SS..  trans-113.7164.3177.9-64.3176.1000110.4P97 L139 R140 K142P97-L144 HydrophobicContact CB-CD2 4.39Å; P97-L144 HydrophobicContact CG-CB 4.24Å; P97-L144 HydrophobicContact CG-CD1 4.25Å; P97-L144 HydrophobicContact CG-CD2 4.37Å; L139-L144 CarbonylContact C-O 3.56Å; L139-L144 VanDerWaalsContact C-O 3.22Å; L139-L144 HydrophobicContact CB-CB 4.27Å; L139-L144 HydrophobicContact CD2-CB 4.01Å; L139-L144 HydrophobicContact CD2-CD1 4.36Å; L139-L144 WeakPolarHBondContact O-CA 3.23Å; L139-L144 PolarHBondContact O-N 3.32Å; R140-L144 PolarHBondContact N-O 3.15Å; K142-L144 HydrophobicContact CB-CD1 4.12Å; K142-L144 HydrophobicContact CB-CG 4.21Å; K142-L144 PolarHBondContact O-N 2.89Å
145S97.9Very high98Very high70 Ų7075.6 Ų75.649%0.4937%0.372SS..  trans-134.4158.5171.665.10000110.3P97P97-S145 WeakPolarHBondContact CG-O 3.46Å
146P98.5Very high98.1Very high17 Ų1775.4 Ų75.411%0.1137%0.371CS..PPolyproline II helixtrans-54.7148.9167.4-24.133.7000111.6L94 V95 R130 I136 L139 T148L94-P146 CarbonylContact O-C 3.59Å; L94-P146 WeakPolarHBondContact O-CA 3.44Å; V95-P146 HydrophobicContact CG1-CB 4.41Å; R130-P146 HydrophobicContact CG-CB 4.12Å; I136-P146 HydrophobicContact CG1-CG 4.1Å; L139-P146 HydrophobicContact CD1-CG 3.84Å; P146-T148 PolarHBondContact O-N 3.31Å
147I98.7Very high98.2Very high5 Ų582 Ų823%0.02639%0.393CS..PPolyproline II helixtrans-71.2126.9175-56.1-56.6000109.1F92 L94 P97 F100 R130 Q151F92-I147 HydrophobicContact CE2-CB 4.04Å; F92-I147 HydrophobicContact CE2-CG1 4.12Å; F92-I147 HydrophobicContact CE2-CG2 3.84Å; F92-I147 HydrophobicContact CZ-CG2 4.21Å; L94-I147 HydrophobicContact CD2-CB 4.21Å; L94-I147 HydrophobicContact CD2-CG2 4.49Å; L94-I147 PolarHBondContact O-N 3.42Å; P97-I147 HydrophobicContact CB-CD1 4.16Å; P97-I147 HydrophobicContact CG-CD1 4.27Å; F100-I147 HydrophobicContact CB-CD1 3.99Å; F100-I147 HydrophobicContact CB-CG1 3.94Å; F100-I147 HydrophobicContact CD1-CD1 3.78Å; F100-I147 HydrophobicContact CD1-CG1 4.38Å; F100-I147 HydrophobicContact CD2-CG2 4.08Å; F100-I147 HydrophobicContact CE1-CD1 4.45Å; F100-I147 HydrophobicContact CE2-CG2 4.11Å; F100-I147 HydrophobicContact CG-CD1 3.93Å; F100-I147 HydrophobicContact CG-CG1 4.03Å; F100-I147 HydrophobicContact CG-CG2 4.28Å; F100-I147 HydrophobicContact CZ-CG2 4.33Å; R130-I147 PolarHBondContact NE-O 3.03Å; R130-I147 VanDerWaalsContact NE-O 3.17Å; R130-I147 PolarHBondContact NH2-O 3.24Å; I147-Q151 HydrophobicContact CG2-CB 3.93Å
148T98.6Very high98.2Very high64 Ų6482.6 Ų82.639%0.39340%0.396SS..PPolyproline II helixtrans-84.3156.5178.665.50000111.4P146 Q151 G152P146-T148 PolarHBondContact O-N 3.31Å; T148-Q151 WeakPolarHBondContact O-CB 3.29Å; T148-Q151 PolarHBondContact O-N 2.68Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 2.84Å; T148-G152 PolarHBondContact O-N 3.04Å; T148-G152 VanDerWaalsContact O-N 3.17Å
149Y98.6Very high98.2Very high113 Ų11376 Ų7644%0.44337%0.371SS..Hα-helixtrans-56.1-43.1177.2-172.4-87000113.3Q151 G152 L153 Y164 E166Y149-Q151 VanDerWaalsContact C-N 3.33Å; Y149-Q151 PolarHBondContact O-N 3.11Å; Y149-G152 PolarHBondContact O-N 3.09Å; Y149-L153 HydrophobicContact CE1-CD2 4.46Å; Y149-L153 PolarHBondContact O-N 2.88Å; Y149-Y164 HydrophobicContact CD2-CD1 4.26Å; Y149-Y164 AromaticContact CD2-CE1 3.79Å; Y149-Y164 HydrophobicContact CD2-CE1 3.79Å; Y149-Y164 AromaticContact CE2-CD1 3.93Å; Y149-Y164 HydrophobicContact CE2-CD1 3.93Å; Y149-Y164 AromaticContact CE2-CE1 3.91Å; Y149-Y164 HydrophobicContact CE2-CE1 3.91Å; Y149-Y164 HydrophobicContact CG-CE1 4.26Å; Y149-E166 WeakPolarHBondContact CA-OE1 3.45Å; Y149-E166 HydrophobicContact CD2-CG 4.36Å; Y149-E166 VanDerWaalsContact CD2-OE1 3.32Å; Y149-E166 WeakPolarHBondContact CD2-OE1 3.36Å
150P98.8Very high98.2Very high92 Ų9277.9 Ų77.960%0.59739%0.392SS*.Hα-helixtrans-60.9-36.1175.9-26.237000114.2L153 A154P150-L153 PolarHBondContact O-N 2.73Å; P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 3.01Å
151Q98.8Very high98.2Very high79 Ų7971 Ų7137%0.36937%0.37SS..Hα-helixtrans-64.5-46.9175.5-73.1168.5-63.400111F100 I147 T148 Y149 L153 A154 M155F100-Q151 HydrophobicContact CE1-CB 4.4Å; F100-Q151 HydrophobicContact CZ-CB 4.1Å; F100-Q151 WeakPolarHBondContact CZ-O 3.2Å; I147-Q151 HydrophobicContact CG2-CB 3.93Å; T148-Q151 WeakPolarHBondContact O-CB 3.29Å; T148-Q151 PolarHBondContact O-N 2.68Å; T148-Q151 VanDerWaalsContact O-N 3.14Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 2.84Å; Y149-Q151 VanDerWaalsContact C-N 3.33Å; Y149-Q151 PolarHBondContact O-N 3.11Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; Q151-L153 PolarHBondContact O-N 3.23Å; Q151-A154 WeakPolarHBondContact O-CB 3.39Å; Q151-A154 PolarHBondContact O-N 3.03Å; Q151-M155 PolarHBondContact O-N 3.05Å
152G98.8Very high98.2Very high0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-61.1-40.2176.100000113.2T148 Y149 A154 M155 A156T148-G152 PolarHBondContact O-N 3.04Å; T148-G152 VanDerWaalsContact O-N 3.17Å; Y149-G152 PolarHBondContact O-N 3.09Å; G152-A154 PolarHBondContact O-N 2.93Å; G152-M155 PolarHBondContact O-N 2.93Å; G152-A156 PolarHBondContact O-N 2.98Å
153L98.6Very high98.3Very high56 Ų5664.5 Ų64.529%0.29334%0.34SS..Hα-helixtrans-64.8-38.9175-17463.1000112.3Y149 P150 Q151 A156 R157 Y164Y149-L153 HydrophobicContact CE1-CD2 4.46Å; Y149-L153 PolarHBondContact O-N 2.88Å; P150-L153 PolarHBondContact O-N 2.73Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; Q151-L153 PolarHBondContact O-N 3.23Å; L153-A156 PolarHBondContact O-N 2.79Å; L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.19Å; L153-R157 VanDerWaalsContact O-N 3.14Å; L153-Y164 HydrophobicContact CB-CD1 4.33Å
154A98.8Very high98.3Very high52 Ų5255.2 Ų55.243%0.4330%0.3SS..Hα-helixtrans-63.5-46.7175.200000111.5P150 Q151 G152 A156 R157 E158P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 3.01Å; Q151-A154 WeakPolarHBondContact O-CB 3.39Å; Q151-A154 PolarHBondContact O-N 3.03Å; G152-A154 PolarHBondContact O-N 2.93Å; A154-A156 VanDerWaalsContact C-N 3.35Å; A154-A156 PolarHBondContact O-N 3.41Å; A154-R157 WeakPolarHBondContact O-CB 3.39Å; A154-R157 PolarHBondContact O-N 3.4Å; A154-E158 PolarHBondContact O-N 3.37Å
155M98.8Very high98.4Very high6 Ų652.5 Ų52.53%0.0329%0.286CS..Hα-helixtrans-58.8-44.4175.3-178.466.468.300111.8F100 V103 R104 L122 Q151 G152 R157 E158 I159F100-M155 HydrophobicContact CD1-CE 4.23Å; F100-M155 HydrophobicContact CD2-CE 4.39Å; F100-M155 HydrophobicContact CE1-CE 3.77Å; F100-M155 HydrophobicContact CE2-CB 3.56Å; F100-M155 HydrophobicContact CE2-CE 3.95Å; F100-M155 HydrophobicContact CE2-CG 3.84Å; F100-M155 HydrophobicContact CZ-CB 3.62Å; F100-M155 HydrophobicContact CZ-CE 3.63Å; F100-M155 HydrophobicContact CZ-CG 4.18Å; V103-M155 HydrophobicContact CB-CG 4.36Å; V103-M155 HydrophobicContact CB-SD 4.21Å; V103-M155 HydrophobicContact CG1-CG 3.88Å; V103-M155 HydrophobicContact CG1-SD 3.95Å; R104-M155 HydrophobicContact CB-CE 4.36Å; R104-M155 HydrophobicContact CB-SD 3.97Å; R104-M155 HydrophobicContact CG-CE 4.14Å; R104-M155 HydrophobicContact CG-SD 4.41Å; L122-M155 HydrophobicContact CD2-CB 3.87Å; L122-M155 HydrophobicContact CD2-CG 3.68Å; Q151-M155 PolarHBondContact O-N 3.05Å; G152-M155 PolarHBondContact O-N 2.93Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 PolarHBondContact O-N 3.41Å; M155-E158 WeakPolarHBondContact O-CB 2.83Å; M155-E158 PolarHBondContact O-N 3.21Å; M155-E158 VanDerWaalsContact O-N 3.13Å; M155-I159 WeakPolarHBondContact O-CG1 3.19Å; M155-I159 PolarHBondContact O-N 3.48Å; M155-I159 HydrophobicContact SD-CG2 4.1Å
156A98.6Very high98.4Very high5 Ų550.4 Ų50.44%0.04127%0.268CS..Hα-helixtrans-60.4-38.1177.600000112.7L122 G152 L153 A154 G160 A161 Y164L122-A156 HydrophobicContact CB-CB 4.3Å; L122-A156 HydrophobicContact CD2-CB 3.91Å; G152-A156 PolarHBondContact O-N 2.98Å; L153-A156 PolarHBondContact O-N 2.79Å; A154-A156 VanDerWaalsContact C-N 3.35Å; A154-A156 PolarHBondContact O-N 3.41Å; A156-G160 PolarHBondContact O-N 2.57Å; A156-G160 VanDerWaalsContact O-N 3.16Å; A156-A161 HydrophobicContact CB-CB 4.08Å; A156-A161 PolarHBondContact O-N 3.33Å; A156-Y164 HydrophobicContact CB-CG 4.48Å
157R98.4Very high98.4Very high187 Ų18749.6 Ų49.671%0.70626%0.263SS*.Hα-helixtrans-67-43173.6-69.4172.5-175.1173.51.8111.6L153 A154 M155 G160L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.19Å; L153-R157 VanDerWaalsContact O-N 3.14Å; A154-R157 WeakPolarHBondContact O-CB 3.39Å; A154-R157 PolarHBondContact O-N 3.4Å; M155-R157 VanDerWaalsContact C-N 3.29Å; M155-R157 PolarHBondContact O-N 3.41Å; R157-G160 PolarHBondContact O-N 2.99Å
158E98Very high98.4Very high115 Ų11549.3 Ų49.354%0.53726%0.262SS..Hα-helixtrans-58.7-47.4179-175.8-179.6157.700111.7A154 M155 G160A154-E158 PolarHBondContact O-N 3.37Å; M155-E158 WeakPolarHBondContact O-CB 2.83Å; M155-E158 PolarHBondContact O-N 3.21Å; M155-E158 VanDerWaalsContact O-N 3.13Å; E158-G160 VanDerWaalsContact C-N 3.3Å; E158-G160 PolarHBondContact O-N 3.11Å
159I97.9Very high98.3Very high2 Ų246.8 Ų46.81%0.0125%0.247CC..THydrogen-bonded Turntrans-84.8-1.3-178.973.7172.7000113.8V103 Y108 I120 L122 M155 A161V103-I159 HydrophobicContact CG1-CD1 3.95Å; V103-I159 HydrophobicContact CG1-CG2 4.39Å; Y108-I159 HydrophobicContact CD1-CB 4.24Å; Y108-I159 HydrophobicContact CD1-CG2 4.04Å; Y108-I159 HydrophobicContact CD2-CB 3.6Å; Y108-I159 HydrophobicContact CD2-CG1 4.47Å; Y108-I159 HydrophobicContact CD2-CG2 4.16Å; Y108-I159 HydrophobicContact CE1-CB 4.48Å; Y108-I159 HydrophobicContact CE2-CB 3.83Å; Y108-I159 WeakPolarHBondContact CE2-O 3.46Å; Y108-I159 HydrophobicContact CG-CB 3.79Å; Y108-I159 HydrophobicContact CG-CG2 3.8Å; I120-I159 HydrophobicContact CG2-CD1 4.42Å; L122-I159 HydrophobicContact CB-CD1 4.43Å; L122-I159 HydrophobicContact CD1-CD1 4.25Å; M155-I159 WeakPolarHBondContact O-CG1 3.19Å; M155-I159 PolarHBondContact O-N 3.48Å; M155-I159 HydrophobicContact SD-CG2 4.1Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 HydrophobicContact CD1-CB 4.12Å; I159-A161 HydrophobicContact CG1-CB 3.93Å; I159-A161 PolarHBondContact O-N 3.45Å
160G97.3Very high98.2Very high49 Ų4945.9 Ų45.951%0.50525%0.249SC..THydrogen-bonded Turntrans61.237.6-175.800000113.4A156 R157 E158A156-G160 PolarHBondContact O-N 2.57Å; A156-G160 VanDerWaalsContact O-N 3.16Å; R157-G160 PolarHBondContact O-N 2.99Å; E158-G160 VanDerWaalsContact C-N 3.3Å; E158-G160 PolarHBondContact O-N 3.11Å
161A98.1Very high98.1Very high18 Ų1845.4 Ų45.415%0.14925%0.245CC..  trans-66.1146.917200000110.3I120 L122 A156 I159 K163I120-A161 HydrophobicContact CG2-CB 4.35Å; I120-A161 CarbonylContact O-C 3.58Å; I120-A161 WeakPolarHBondContact O-CA 3.18Å; L122-A161 HydrophobicContact CB-CB 4.18Å; A156-A161 HydrophobicContact CB-CB 4.08Å; A156-A161 PolarHBondContact O-N 3.33Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 HydrophobicContact CD1-CB 4.12Å; I159-A161 HydrophobicContact CG1-CB 3.93Å; I159-A161 PolarHBondContact O-N 3.45Å; A161-K163 VanDerWaalsContact C-N 3.28Å; A161-K163 PolarHBondContact O-N 2.91Å
162V97.6Very high97.9Very high62 Ų6245.5 Ų45.538%0.37625%0.245SC..SBendtrans-64.8-38.3176.4177.40000110.2P119 I120 I121 A185 P190P119-V162 HydrophobicContact CB-CG2 3.76Å; I120-V162 PolarHBondContact O-N 2.89Å; I121-V162 HydrophobicContact CD1-CB 3.96Å; I121-V162 HydrophobicContact CD1-CG1 4.35Å; V162-A185 HydrophobicContact CB-CB 4.49Å; V162-A185 HydrophobicContact CG1-CB 4.07Å; V162-A185 HydrophobicContact CG2-CB 4.46Å; V162-P190 HydrophobicContact CG1-CG 4.48Å; V162-P190 HydrophobicContact CG2-CG 4.19Å
163K97.9Very high97.9Very high82 Ų8253.5 Ų53.536%0.35728%0.276SS..EExtended strand (participates in β ladder)trans-153154.7179-151156.7-179.4166.50111.8I121 L122 A161 L165 E181I121-K163 HydrophobicContact CD1-CB 3.99Å; L122-K163 PolarHBondContact N-O 3.24Å; A161-K163 VanDerWaalsContact C-N 3.28Å; A161-K163 PolarHBondContact O-N 2.91Å; K163-L165 HydrophobicContact CD-CD2 4.27Å; K163-L165 HydrophobicContact CG-CD2 4.24Å; K163-L165 HydrophobicContact CG-CG 4.22Å; K163-E181 HydrophobicContact CD-CB 4.34Å; K163-E181 HydrophobicContact CD-CG 4.01Å; K163-E181 WeakPolarHBondContact CD-OE2 3.43Å; K163-E181 WeakPolarHBondContact CE-OE2 3.41Å; K163-E181 IonicContact NZ-OE1 3.05Å; K163-E181 PolarHBondContact NZ-OE1 3.4Å; K163-E181 IonicContact NZ-OE2 2.8Å; K163-E181 PolarHBondContact NZ-OE2 3.5Å
164Y98.8Very high97.9Very high7 Ų752.1 Ų52.13%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-108.1129.6164.7177.4-128000109.4F92 L122 Y149 L153 A156 E166F92-Y164 AromaticContact CE1-CE2 3.81Å; F92-Y164 HydrophobicContact CE1-CE2 3.81Å; F92-Y164 AromaticContact CZ-CE2 3.91Å; F92-Y164 HydrophobicContact CZ-CE2 3.91Å; L122-Y164 HydrophobicContact CB-CD2 4.12Å; L122-Y164 HydrophobicContact CD2-CD2 3.89Å; L122-Y164 HydrophobicContact CD2-CE2 4.33Å; L122-Y164 HydrophobicContact CG-CD2 3.88Å; L122-Y164 HydrophobicContact CG-CE2 4.31Å; L122-Y164 WeakPolarHBondContact O-CA 3.49Å; L122-Y164 WeakPolarHBondContact O-CD2 3.24Å; Y149-Y164 HydrophobicContact CD2-CD1 4.26Å; Y149-Y164 AromaticContact CD2-CE1 3.79Å; Y149-Y164 HydrophobicContact CD2-CE1 3.79Å; Y149-Y164 AromaticContact CE2-CD1 3.93Å; Y149-Y164 HydrophobicContact CE2-CD1 3.93Å; Y149-Y164 AromaticContact CE2-CE1 3.91Å; Y149-Y164 HydrophobicContact CE2-CE1 3.91Å; Y149-Y164 HydrophobicContact CG-CE1 4.26Å; L153-Y164 HydrophobicContact CB-CD1 4.33Å; A156-Y164 HydrophobicContact CB-CG 4.48Å; Y164-E166 HydrophobicContact CE1-CG 3.93Å; Y164-E166 WeakPolarHBondContact CE1-OE1 3.13Å; Y164-E166 HydrophobicContact CE2-CG 4.23Å; Y164-E166 VanDerWaalsContact OH-CG 3.3Å; Y164-E166 WeakPolarHBondContact OH-CG 3.36Å; Y164-E166 PolarHBondContact OH-OE1 2.55Å
165L98.8Very high97.7Very high21 Ų2150 Ų5011%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-136153.3178.6-62.7168.9000109.9I121 L122 V123 G124 K163 T177 V178 E181I121-L165 HydrophobicContact CG2-CD1 4Å; I121-L165 HydrophobicContact CG2-CG 4.48Å; L122-L165 PolarHBondContact O-N 3.21Å; V123-L165 CarbonylContact C-O 3.44Å; V123-L165 WeakPolarHBondContact CA-O 3.39Å; G124-L165 PolarHBondContact N-O 3.07Å; K163-L165 HydrophobicContact CD-CD2 4.27Å; K163-L165 HydrophobicContact CG-CD2 4.24Å; K163-L165 HydrophobicContact CG-CG 4.22Å; L165-T177 HydrophobicContact CD2-CG2 4.09Å; L165-V178 HydrophobicContact CB-CG2 3.97Å; L165-V178 HydrophobicContact CD1-CG2 4.29Å; L165-E181 HydrophobicContact CD1-CB 3.65Å; L165-E181 HydrophobicContact CD1-CG 3.82Å
166E98.8Very high97.6Very high26 Ų2655.4 Ų55.412%0.12128%0.28CS..EExtended strand (participates in β ladder)trans-125.2144.1175.8-65.4174.6175.800109.9L94 G124 L127 R130 Y149 Y164L94-E166 HydrophobicContact CD1-CB 4.29Å; L94-E166 HydrophobicContact CD1-CG 4.18Å; L94-E166 HydrophobicContact CD2-CG 4.35Å; G124-E166 CarbonylContact O-C 3.6Å; G124-E166 VanDerWaalsContact O-CA 3.22Å; G124-E166 WeakPolarHBondContact O-CA 3.37Å; L127-E166 HydrophobicContact CD1-CB 4.43Å; L127-E166 HydrophobicContact CD2-CB 4.28Å; R130-E166 IonicContact CZ-OE1 2.86Å; R130-E166 IonicContact CZ-OE2 2.66Å; R130-E166 IonicContact NH1-OE1 3.01Å; R130-E166 PolarHBondContact NH1-OE1 3.11Å; R130-E166 IonicContact NH1-OE2 2.63Å; R130-E166 PolarHBondContact NH1-OE2 3.15Å; R130-E166 IonicContact NH2-OE1 3.95Å; R130-E166 PolarHBondContact NH2-OE1 3.36Å; R130-E166 IonicContact NH2-OE2 3.43Å; R130-E166 PolarHBondContact NH2-OE2 2.92Å; Y149-E166 WeakPolarHBondContact CA-OE1 3.45Å; Y149-E166 HydrophobicContact CD2-CG 4.36Å; Y149-E166 VanDerWaalsContact CD2-OE1 3.32Å; Y149-E166 WeakPolarHBondContact CD2-OE1 3.36Å; Y164-E166 HydrophobicContact CE1-CG 3.93Å; Y164-E166 WeakPolarHBondContact CE1-OE1 3.13Å; Y164-E166 HydrophobicContact CE2-CG 4.23Å; Y164-E166 VanDerWaalsContact OH-CG 3.3Å; Y164-E166 WeakPolarHBondContact OH-CG 3.36Å; Y164-E166 PolarHBondContact OH-OE1 2.55Å
167C98.6Very high97.5Very high0 Ų058.2 Ų58.20%030%0.296CS..  trans-151.3161.7-179.663.70000112.9L29 G124 T125 K126 L127 R173 V178L29-C167 WeakPolarHBondContact CD1-SG 3.02Å; G124-C167 PolarHBondContact O-N 3.47Å; T125-C167 CarbonylContact C-O 3.43Å; T125-C167 WeakPolarHBondContact CA-O 3.24Å; K126-C167 PolarHBondContact N-O 2.78Å; K126-C167 VanDerWaalsContact N-O 3.11Å; L127-C167 WeakPolarHBondContact CB-O 3.23Å; L127-C167 PolarHBondContact N-O 2.89Å; L127-C167 VanDerWaalsContact N-O 3.08Å; C167-R173 CarbonylContact C-O 3.38Å; C167-R173 WeakPolarHBondContact CA-O 3.07Å; C167-R173 VanDerWaalsContact CB-O 3.31Å; C167-R173 WeakPolarHBondContact CB-O 3.33Å; C167-V178 HydrophobicContact CB-CG2 4.1Å
168S98.4Very high97.5Very high0 Ų049.3 Ų49.30%026%0.263CS..  trans-121120.2167.7168.50000107.8D128 L170 T171 Q172 R173D128-S168 VanDerWaalsContact CG-OG 3.24Å; D128-S168 WeakPolarHBondContact OD1-CB 3.38Å; D128-S168 PolarHBondContact OD1-OG 2.85Å; S168-L170 VanDerWaalsContact C-N 3.27Å; S168-L170 PolarHBondContact OG-N 3.01Å; S168-T171 WeakPolarHBondContact CB-OG1 3.48Å; S168-T171 PolarHBondContact OG-N 2.96Å; S168-T171 PolarHBondContact OG-OG1 3.3Å; S168-Q172 CarbonylContact O-C 3.22Å; S168-Q172 WeakPolarHBondContact O-CA 3.42Å; S168-Q172 PolarHBondContact O-N 2.9Å; S168-R173 PolarHBondContact N-O 3.45Å; S168-R173 PolarHBondContact O-N 2.95Å
169A96.9Very high97.5Very high11 Ų1143.8 Ų43.89%0.09124%0.237CC..THydrogen-bonded Turntrans-68.9-31.1171.200000111C28 S32 F38C28-A169 HydrophobicContact CB-CB 3.97Å; S32-A169 PolarHBondContact OG-O 3.37Å; F38-A169 HydrophobicContact CD2-CB 4.04Å; F38-A169 HydrophobicContact CE2-CB 3.93Å
170L95.4Very high97.5Very high93 Ų9344.5 Ų44.549%0.48724%0.241SC..THydrogen-bonded Turntrans-66.3-49.6-179.717962.2000112F38 S168F38-L170 HydrophobicContact CB-CD1 4.28Å; F38-L170 HydrophobicContact CD1-CD1 3.92Å; F38-L170 VanDerWaalsContact CD2-CA 3.44Å; F38-L170 HydrophobicContact CD2-CB 4.09Å; F38-L170 HydrophobicContact CD2-CD1 4.28Å; F38-L170 HydrophobicContact CE1-CD1 4.31Å; F38-L170 HydrophobicContact CE2-CB 4.12Å; F38-L170 HydrophobicContact CG-CD1 3.89Å; S168-L170 VanDerWaalsContact C-N 3.27Å; S168-L170 PolarHBondContact OG-N 3.01Å
171T96.3Very high97.5Very high82 Ų8243.7 Ų43.750%0.50322%0.224SC..THydrogen-bonded Turntrans-93.7-2.9-178.764.40000113D128 S168 R173D128-T171 HydrophobicContact CB-CG2 4.08Å; S168-T171 WeakPolarHBondContact CB-OG1 3.48Å; S168-T171 PolarHBondContact OG-N 2.96Å; S168-T171 PolarHBondContact OG-OG1 3.3Å; T171-R173 PolarHBondContact O-N 2.69Å; T171-R173 WeakPolarHBondContact OG1-CB 3.23Å
172Q95.9Very high97.5Very high81 Ų8142.9 Ų42.938%0.37922%0.217SC..  trans60.14.6-173.6-55.2175.614.400114.9N36 S168 G174 L175N36-Q172 VanDerWaalsContact C-NE2 3.31Å; N36-Q172 PolarHBondContact O-NE2 3.4Å; S168-Q172 CarbonylContact O-C 3.22Å; S168-Q172 WeakPolarHBondContact O-CA 3.42Å; S168-Q172 PolarHBondContact O-N 2.9Å; Q172-G174 PolarHBondContact O-N 2.89Å; Q172-L175 WeakPolarHBondContact O-CB 3.5Å; Q172-L175 PolarHBondContact O-N 2.87Å
173R98.1Very high97.5Very high168 Ų16839.9 Ų39.963%0.63420%0.199SC*.THydrogen-bonded Turntrans-59.8126.1177.7-174.5178.6179.5-166.61110.1L127 C167 S168 T171 L175L127-R173 HydrophobicContact CD2-CG 4.34Å; C167-R173 CarbonylContact C-O 3.38Å; C167-R173 WeakPolarHBondContact CA-O 3.07Å; C167-R173 VanDerWaalsContact CB-O 3.31Å; C167-R173 WeakPolarHBondContact CB-O 3.33Å; S168-R173 PolarHBondContact N-O 3.45Å; S168-R173 PolarHBondContact O-N 2.95Å; T171-R173 PolarHBondContact O-N 2.69Å; T171-R173 WeakPolarHBondContact OG1-CB 3.23Å; R173-L175 PolarHBondContact O-N 2.84Å
174G97.8Very high97.4Very high27 Ų2739.1 Ų39.128%0.27819%0.194SC..THydrogen-bonded Turntrans75.4-5.5177.300000115.2Q172 T177 V178Q172-G174 PolarHBondContact O-N 2.89Å; G174-T177 WeakPolarHBondContact O-CB 3.24Å; G174-T177 PolarHBondContact O-N 3.19Å; G174-V178 PolarHBondContact O-N 3.36Å; G174-V178 VanDerWaalsContact O-N 3.13Å
175L95.9Very high97.3Very high7 Ų739 Ų394%0.03719%0.194CC..Hα-helixtrans-62.6-51.9-171.9-169.862.4000112.3L29 S32 Y33 Q172 R173 T177 V178 F179L29-L175 HydrophobicContact CD1-CD1 3.23Å; L29-L175 HydrophobicContact CG-CD1 3.8Å; S32-L175 VanDerWaalsContact OG-CD2 3.27Å; S32-L175 WeakPolarHBondContact OG-CD2 3.41Å; Y33-L175 HydrophobicContact CD2-CG 4.44Å; Q172-L175 WeakPolarHBondContact O-CB 3.5Å; Q172-L175 PolarHBondContact O-N 2.87Å; R173-L175 PolarHBondContact O-N 2.84Å; L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.29Å; L175-V178 WeakPolarHBondContact O-CB 3.39Å; L175-V178 PolarHBondContact O-N 3.34Å; L175-F179 HydrophobicContact CD1-CE2 3.84Å; L175-F179 HydrophobicContact CG-CE2 4.25Å; L175-F179 VanDerWaalsContact O-CD2 3.26Å; L175-F179 WeakPolarHBondContact O-CD2 3.49Å
176K95.6Very high97.1Very high120 Ų12039.4 Ų39.452%0.52220%0.198SC..Hα-helixtrans-56.8-41.7176.1-170.8-171.4-173.7-51.90111.9V178 F179 D180K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 2.93Å; K176-F179 PolarHBondContact O-N 2.97Å; K176-D180 IonicContact NZ-OD1 3.48Å; K176-D180 PolarHBondContact NZ-OD1 2.83Å; K176-D180 IonicContact NZ-OD2 2.68Å; K176-D180 PolarHBondContact NZ-OD2 2.88Å; K176-D180 WeakPolarHBondContact O-CB 3.43Å; K176-D180 PolarHBondContact O-N 3.13Å
177T97.9Very high96.8Very high64 Ų6439.4 Ų39.439%0.39320%0.198SC..Hα-helixtrans-62.2-37.6-179.3-51.20000111.9L165 G174 L175 F179 E181L165-T177 HydrophobicContact CD2-CG2 4.09Å; G174-T177 WeakPolarHBondContact O-CB 3.24Å; G174-T177 PolarHBondContact O-N 3.19Å; L175-T177 VanDerWaalsContact C-N 3.26Å; L175-T177 PolarHBondContact O-N 3.29Å; T177-F179 PolarHBondContact O-N 3.22Å; T177-E181 HydrophobicContact CG2-CG 4.11Å; T177-E181 VanDerWaalsContact O-CB 3.31Å; T177-E181 WeakPolarHBondContact O-CB 3.36Å; T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.28Å
178V98.5Very high96.3Very high0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-56.5-50175.6170.80000111.3L89 V123 L165 C167 G174 L175 K176 A182L89-V178 HydrophobicContact CD1-CG1 3.82Å; L89-V178 HydrophobicContact CD2-CG1 4.19Å; V123-V178 HydrophobicContact CG1-CG1 4.35Å; V123-V178 HydrophobicContact CG1-CG2 4.04Å; V123-V178 HydrophobicContact CG2-CG1 3.86Å; L165-V178 HydrophobicContact CB-CG2 3.97Å; L165-V178 HydrophobicContact CD1-CG2 4.29Å; C167-V178 HydrophobicContact CB-CG2 4.1Å; G174-V178 PolarHBondContact O-N 3.36Å; G174-V178 VanDerWaalsContact O-N 3.13Å; L175-V178 WeakPolarHBondContact O-CB 3.39Å; L175-V178 PolarHBondContact O-N 3.34Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 PolarHBondContact O-N 2.93Å; V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 3.18Å
179F97.7Very high95.3Very high0 Ų047.7 Ų47.70%025%0.253CS..Hα-helixtrans-77.3-36.6-176.5-63.7-76.8000113.1L29 L30 Y33 L63 L65 L89 L175 K176 T177 E181 A182 I183L29-F179 HydrophobicContact CD2-CZ 4Å; L29-F179 HydrophobicContact CG-CE2 4.17Å; L29-F179 HydrophobicContact CG-CZ 3.94Å; L30-F179 HydrophobicContact CD2-CE1 3.91Å; L30-F179 HydrophobicContact CD2-CZ 3.91Å; Y33-F179 VanDerWaalsContact CB-CE2 3.41Å; Y33-F179 HydrophobicContact CD1-CD1 4.25Å; Y33-F179 AromaticContact CD1-CD2 3.78Å; Y33-F179 HydrophobicContact CD1-CD2 3.78Å; Y33-F179 HydrophobicContact CD1-CE1 4.33Å; Y33-F179 AromaticContact CD1-CE2 3.88Å; Y33-F179 HydrophobicContact CD1-CE2 3.88Å; Y33-F179 AromaticContact CD1-CG 3.97Å; Y33-F179 HydrophobicContact CD1-CG 3.97Å; Y33-F179 HydrophobicContact CD1-CZ 4.14Å; Y33-F179 HydrophobicContact CD2-CB 4.34Å; Y33-F179 AromaticContact CD2-CD2 3.23Å; Y33-F179 HydrophobicContact CD2-CD2 3.23Å; Y33-F179 AromaticContact CD2-CE2 3.7Å; Y33-F179 HydrophobicContact CD2-CE2 3.7Å; Y33-F179 AromaticContact CD2-CG 3.95Å; Y33-F179 HydrophobicContact CD2-CG 3.95Å; Y33-F179 HydrophobicContact CE1-CB 4.11Å; Y33-F179 HydrophobicContact CE1-CD1 4.2Å; Y33-F179 HydrophobicContact CE1-CD2 4.05Å; Y33-F179 AromaticContact CE1-CG 3.84Å; Y33-F179 HydrophobicContact CE1-CG 3.84Å; Y33-F179 HydrophobicContact CE2-CB 3.71Å; Y33-F179 AromaticContact CE2-CD2 3.52Å; Y33-F179 HydrophobicContact CE2-CD2 3.52Å; Y33-F179 HydrophobicContact CE2-CE2 4.4Å; Y33-F179 AromaticContact CE2-CG 3.8Å; Y33-F179 HydrophobicContact CE2-CG 3.8Å; Y33-F179 AromaticContact CG-CD2 3.34Å; Y33-F179 HydrophobicContact CG-CD2 3.34Å; Y33-F179 AromaticContact CG-CE2 3.37Å; Y33-F179 HydrophobicContact CG-CE2 3.37Å; Y33-F179 HydrophobicContact CG-CG 4Å; Y33-F179 HydrophobicContact CG-CZ 4.04Å; Y33-F179 AromaticContact CZ-CD2 3.9Å; Y33-F179 AromaticContact CZ-CG 3.72Å; L63-F179 HydrophobicContact CD2-CB 4.22Å; L63-F179 HydrophobicContact CD2-CD1 3.89Å; L63-F179 HydrophobicContact CD2-CG 4.41Å; L65-F179 HydrophobicContact CD2-CD1 3.91Å; L65-F179 HydrophobicContact CD2-CE1 3.59Å; L89-F179 HydrophobicContact CD1-CD1 4.43Å; L89-F179 HydrophobicContact CD1-CE1 3.9Å; L89-F179 HydrophobicContact CD1-CZ 4.41Å; L175-F179 HydrophobicContact CD1-CE2 3.84Å; L175-F179 HydrophobicContact CG-CE2 4.25Å; L175-F179 VanDerWaalsContact O-CD2 3.26Å; L175-F179 WeakPolarHBondContact O-CD2 3.49Å; K176-F179 PolarHBondContact O-N 2.97Å; T177-F179 PolarHBondContact O-N 3.22Å; F179-E181 VanDerWaalsContact C-N 3.3Å; F179-E181 PolarHBondContact O-N 3.01Å; F179-A182 PolarHBondContact O-N 2.99Å; F179-I183 WeakPolarHBondContact O-CB 3.49Å; F179-I183 VanDerWaalsContact O-CG1 3.32Å; F179-I183 WeakPolarHBondContact O-CG1 3.17Å; F179-I183 PolarHBondContact O-N 2.91Å
180D97.3Very high94Very high17 Ų1750.2 Ų50.29%0.09127%0.269CS..Hα-helixtrans-57.6-44.9172.5-76.1-1000110.8K176 I183 R184K176-D180 IonicContact NZ-OD1 3.48Å; K176-D180 PolarHBondContact NZ-OD1 2.83Å; K176-D180 IonicContact NZ-OD2 2.68Å; K176-D180 PolarHBondContact NZ-OD2 2.88Å; K176-D180 WeakPolarHBondContact O-CB 3.43Å; K176-D180 PolarHBondContact O-N 3.13Å; D180-I183 PolarHBondContact O-N 3.17Å; D180-R184 WeakPolarHBondContact O-CB 3.25Å; D180-R184 WeakPolarHBondContact O-CG 3.33Å; D180-R184 PolarHBondContact O-N 3.02Å
181E98Very high92.6Very high32 Ų3251.9 Ų51.915%0.1529%0.285CS..Hα-helixtrans-72.8-33.5-179.3-68.1-66144.900112.9K163 L165 T177 F179 R184 A185K163-E181 HydrophobicContact CD-CB 4.34Å; K163-E181 HydrophobicContact CD-CG 4.01Å; K163-E181 WeakPolarHBondContact CD-OE2 3.43Å; K163-E181 WeakPolarHBondContact CE-OE2 3.41Å; K163-E181 IonicContact NZ-OE1 3.05Å; K163-E181 PolarHBondContact NZ-OE1 3.4Å; K163-E181 IonicContact NZ-OE2 2.8Å; K163-E181 PolarHBondContact NZ-OE2 3.5Å; L165-E181 HydrophobicContact CD1-CB 3.65Å; L165-E181 HydrophobicContact CD1-CG 3.82Å; T177-E181 HydrophobicContact CG2-CG 4.11Å; T177-E181 VanDerWaalsContact O-CB 3.31Å; T177-E181 WeakPolarHBondContact O-CB 3.36Å; T177-E181 WeakPolarHBondContact O-CG 3.4Å; T177-E181 PolarHBondContact O-N 3.28Å; F179-E181 VanDerWaalsContact C-N 3.3Å; F179-E181 PolarHBondContact O-N 3.01Å; E181-R184 PolarHBondContact O-N 3.34Å; E181-R184 IonicContact OE1-CZ 3.34Å; E181-R184 IonicContact OE1-NH1 3.24Å; E181-R184 PolarHBondContact OE1-NH1 3.5Å; E181-A185 WeakPolarHBondContact O-CB 3.33Å; E181-A185 PolarHBondContact O-N 2.89Å
182A97.8Very high90.9Very high0 Ų054.2 Ų54.20%030%0.299CS..Hα-helixtrans-62.6-43.7171.200000111.3V87 L89 I121 V178 F179 A185V87-A182 HydrophobicContact CG1-CB 4.14Å; V87-A182 HydrophobicContact CG2-CB 4.13Å; L89-A182 HydrophobicContact CD2-CB 3.96Å; I121-A182 HydrophobicContact CG1-CB 4.21Å; V178-A182 WeakPolarHBondContact O-CB 3.35Å; V178-A182 PolarHBondContact O-N 3.18Å; F179-A182 PolarHBondContact O-N 2.99Å; A182-A185 PolarHBondContact O-N 2.96Å
183I97.1Very high89.1Confident0 Ų060 Ų600%032%0.323CS..Hα-helixtrans-63.5-47.2174.4-71.2166.4000110.5I14 V54 V56 V61 L63 F179 D180 A185 V186 L187I14-I183 HydrophobicContact CD1-CB 4.44Å; I14-I183 HydrophobicContact CD1-CG1 4.39Å; I14-I183 HydrophobicContact CD1-CG2 3.95Å; V54-I183 HydrophobicContact CG2-CD1 3.53Å; V56-I183 HydrophobicContact CB-CG2 3.81Å; V56-I183 HydrophobicContact CG1-CB 4.43Å; V56-I183 HydrophobicContact CG1-CG2 3.93Å; V56-I183 HydrophobicContact CG2-CB 4.19Å; V56-I183 HydrophobicContact CG2-CD1 3.61Å; V56-I183 HydrophobicContact CG2-CG2 3.89Å; V61-I183 HydrophobicContact CG1-CD1 4.17Å; V61-I183 HydrophobicContact CG1-CG1 4.31Å; V61-I183 HydrophobicContact CG1-CG2 4.41Å; V61-I183 HydrophobicContact CG2-CG2 3.97Å; L63-I183 HydrophobicContact CB-CD1 4.42Å; L63-I183 HydrophobicContact CD1-CD1 4.37Å; L63-I183 HydrophobicContact CD1-CG1 4.01Å; L63-I183 HydrophobicContact CD2-CD1 4.08Å; L63-I183 HydrophobicContact CD2-CG1 4.43Å; F179-I183 WeakPolarHBondContact O-CB 3.49Å; F179-I183 VanDerWaalsContact O-CG1 3.32Å; F179-I183 WeakPolarHBondContact O-CG1 3.17Å; F179-I183 PolarHBondContact O-N 2.91Å; D180-I183 PolarHBondContact O-N 3.17Å; I183-A185 VanDerWaalsContact C-N 3.27Å; I183-A185 PolarHBondContact O-N 3.39Å; I183-V186 PolarHBondContact O-N 3.18Å; I183-L187 HydrophobicContact CG2-CD1 3.52Å; I183-L187 HydrophobicContact CG2-CG 3.94Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.39Å
184R96.4Very high86.7Confident65 Ų6561.5 Ų61.525%0.24533%0.334CS..Hα-helixtrans-58.6-37.7177.4-76.5179.5-172.9115.513.5112.6V56 D57 D180 E181 V186 L187 C188V56-R184 HydrophobicContact CG1-CG 4.01Å; D57-R184 IonicContact OD1-CZ 3.28Å; D57-R184 IonicContact OD1-NE 3.47Å; D57-R184 PolarHBondContact OD1-NE 3.07Å; D57-R184 IonicContact OD1-NH2 2.74Å; D57-R184 PolarHBondContact OD1-NH2 3.47Å; D57-R184 WeakPolarHBondContact OD2-CD 3.43Å; D57-R184 WeakPolarHBondContact OD2-CG 3.23Å; D57-R184 IonicContact OD2-CZ 2.71Å; D57-R184 IonicContact OD2-NE 3.8Å; D57-R184 PolarHBondContact OD2-NE 3.25Å; D57-R184 IonicContact OD2-NH2 3.78Å; D180-R184 WeakPolarHBondContact O-CB 3.25Å; D180-R184 WeakPolarHBondContact O-CG 3.33Å; D180-R184 PolarHBondContact O-N 3.02Å; E181-R184 PolarHBondContact O-N 3.34Å; E181-R184 IonicContact OE1-CZ 3.34Å; E181-R184 IonicContact OE1-NH1 3.24Å; E181-R184 PolarHBondContact OE1-NH1 3.5Å; R184-V186 PolarHBondContact O-N 2.93Å; R184-L187 PolarHBondContact O-N 3.36Å; R184-C188 WeakPolarHBondContact O-CA 3.3Å; R184-C188 WeakPolarHBondContact O-CB 3.35Å; R184-C188 PolarHBondContact O-N 2.89Å
185A96Very high84.7Confident5 Ų572 Ų724%0.04137%0.365CS..Hα-helixtrans-61.3-25.7177.600000113.1P119 I121 V162 E181 A182 I183P119-A185 HydrophobicContact CB-CB 4.19Å; I121-A185 HydrophobicContact CD1-CB 4.29Å; V162-A185 HydrophobicContact CB-CB 4.49Å; V162-A185 HydrophobicContact CG1-CB 4.07Å; V162-A185 HydrophobicContact CG2-CB 4.46Å; E181-A185 WeakPolarHBondContact O-CB 3.33Å; E181-A185 PolarHBondContact O-N 2.89Å; A182-A185 PolarHBondContact O-N 2.96Å; I183-A185 VanDerWaalsContact C-N 3.27Å; I183-A185 PolarHBondContact O-N 3.39Å
186V95.3Very high82.4Confident30 Ų3075 Ų7518%0.18240%0.398CS..Hα-helixtrans-89.2-44.6175.6-1790000111.3I14 D86 V87 I183 R184I14-V186 HydrophobicContact CD1-CB 4.06Å; I14-V186 HydrophobicContact CD1-CG1 4.04Å; I14-V186 HydrophobicContact CG1-CG1 4.24Å; I14-V186 HydrophobicContact CG2-CG2 4.08Å; D86-V186 HydrophobicContact CB-CG1 4.05Å; D86-V186 HydrophobicContact CB-CG2 3.88Å; D86-V186 WeakPolarHBondContact O-CG2 3.29Å; V87-V186 HydrophobicContact CB-CG2 3.78Å; V87-V186 HydrophobicContact CG1-CG2 4.05Å; I183-V186 PolarHBondContact O-N 3.18Å; R184-V186 PolarHBondContact O-N 2.93Å
187L92.3Very high80Confident25 Ų2579.1 Ų79.113%0.13142%0.416CS..Hα-helixtrans-71.9-29.6-176.9-63.7-176.1000113.5Q12 I14 K59 V61 I183 R184Q12-L187 VanDerWaalsContact CD-CD2 3.45Å; Q12-L187 HydrophobicContact CG-CD2 4.47Å; I14-L187 HydrophobicContact CD1-CD2 4.04Å; I14-L187 HydrophobicContact CD1-CG 4.23Å; K59-L187 HydrophobicContact CB-CD1 4.41Å; K59-L187 HydrophobicContact CD-CD1 3.99Å; V61-L187 HydrophobicContact CG2-CD1 4.14Å; I183-L187 HydrophobicContact CG2-CD1 3.52Å; I183-L187 HydrophobicContact CG2-CG 3.94Å; I183-L187 WeakPolarHBondContact O-CG 3.37Å; I183-L187 PolarHBondContact O-N 3.39Å; R184-L187 PolarHBondContact O-N 3.36Å
188C87.8Confident77.6Confident82 Ų8287.3 Ų87.355%0.55444%0.44SS*.SBendtrans-132.867.7-176.6-63.20000109.1R184R184-C188 WeakPolarHBondContact O-CA 3.3Å; R184-C188 WeakPolarHBondContact O-CB 3.35Å; R184-C188 PolarHBondContact O-N 2.89Å
189P78.3Confident75Confident92 Ų9293.2 Ų93.260%0.59748%0.479SS*.PPolyproline II helixtrans-62.5134.3-172.124.6-32.7000110.8
190P68.6Low73.1Confident65 Ų6598.5 Ų98.542%0.42251%0.512SS..PPolyproline II helixtrans-62148.517623.4-30.5000110.5V162 V192V162-P190 HydrophobicContact CG1-CG 4.48Å; V162-P190 HydrophobicContact CG2-CG 4.19Å; P190-V192 PolarHBondContact O-N 2.65Å
191P66.1Low70.6Confident127 Ų127106.4 Ų106.483%0.82555%0.55SS**PPolyproline II helixtrans-57.9124.6-179.120.3-30.3000110.9K193P191-K193 PolarHBondContact O-N 2.75Å; P191-K193 VanDerWaalsContact O-N 3.15Å
192V60.9Low68.4Low132 Ų132117.4 Ų117.480%0.860%0.598SS**  trans-63.6115.3-179.2-175.20000109.2P190 K194P190-V192 PolarHBondContact O-N 2.65Å; V192-K194 PolarHBondContact O-N 2.79Å
193K57.2Low66.9Low203 Ų203123.3 Ų123.388%0.88363%0.628SS**  trans-66.8101168.6-73.2-173.7-179.7179.60108.4P191 R195P191-K193 PolarHBondContact O-N 2.75Å; P191-K193 VanDerWaalsContact O-N 3.15Å; K193-R195 PolarHBondContact O-N 2.72Å; K193-R195 VanDerWaalsContact O-N 3.13Å
194K47.7Very low65.3Low199 Ų199129.7 Ų129.787%0.86566%0.661SS**  trans-57.2118.6172.2-71.6-176.1178.6177.90108.5V192 G196V192-K194 PolarHBondContact O-N 2.79Å; K194-G196 PolarHBondContact O-N 2.78Å
195R56.4Low63.6Low247 Ų247133.3 Ų133.393%0.93268%0.684SS**  trans-58.9112.9166.4-100.7178.6156.2179.5-4.8107.2K193 K197K193-R195 PolarHBondContact O-N 2.72Å; K193-R195 VanDerWaalsContact O-N 3.13Å; R195-K197 PolarHBondContact O-N 3.46Å
196G46.9Very low61.7Low71 Ų71140.9 Ų140.973%0.73272%0.722SS**  trans-53.9129.117500000109.6K194 R198K194-G196 PolarHBondContact O-N 2.78Å; G196-R198 PolarHBondContact O-N 3.22Å
197K45.3Very low59.6Low206 Ų206147.8 Ų147.890%0.89676%0.756SS**  trans-56.3123.2169.8-69.1-176.5177.3-177.50106.7R195 C199R195-K197 PolarHBondContact O-N 3.46Å; K197-C199 PolarHBondContact O-N 2.97Å
198R47.5Very low57.4Low236 Ų236156 Ų15689%0.89180%0.798SS**  trans-58113.1166.8-93.6-177-113.9179-3.2106.6G196 T200G196-R198 PolarHBondContact O-N 3.22Å; R198-T200 PolarHBondContact O-N 2.98Å; R198-T200 VanDerWaalsContact O-N 3.1Å
199C44.3Very low55.2Low123 Ų123161.3 Ų161.383%0.83182%0.815SS**  trans-61.7108.6162-910000107.1K197 M201K197-C199 PolarHBondContact O-N 2.97Å; C199-M201 PolarHBondContact O-N 3.31Å
200T57.1Low53.5Low111 Ų111166.6 Ų166.668%0.68183%0.832SS**  trans-76.2104.5156.244.60000106.2R198 F202R198-T200 PolarHBondContact O-N 2.98Å; R198-T200 VanDerWaalsContact O-N 3.1Å; T200-F202 PolarHBondContact O-N 3.48Å
201M45.8Very low52.2Low183 Ų183175.1 Ų175.190%0.90187%0.866SS**  trans-71.7119.6163.1-67.2-118.1-69.900106.7C199C199-M201 PolarHBondContact O-N 3.31Å
202F51.1Low50.9Low263 Ų263179.5 Ų179.5100%1.15487%0.87SS**  trans-85.30160.9-71.6-82.5000108.5T200T200-F202 PolarHBondContact O-N 3.48Å

Retrieved 202 of 202 residues in 59.4 ms (Link to these results)

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