A0A087XZC9_POEFO Loading...

V-set and transmembrane domain-containing protein 2A

Plays a role in the regulation of the early stage of white and brown preadipocyte cell differentiation. Promotes adipogenic commitment of preadipocytes by increasing gene expression of the transcription factor PPARG in a BMP4-dependent signaling pathway.

AlphaFold DB , UniProt , Accession A0A087XZC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1M45.6Very low53.3Low242 Ų242132.8 Ų132.8100%1.19268%0.684SS**  0910-74.1165.2172.300107.1
2M46.5Very low53.9Low185 Ų185130 Ų13091%0.91168%0.677SS**  trans-89.4106.9178.8-88.1151.463.200107.4
3W48.6Very low54.2Low236 Ų236131.3 Ų131.389%0.89467%0.674SS**  trans-76.5122.1160.5-91.742.7000107.2S5W3-S5 PolarHBondContact O-N 3.45Å
4T53.2Low54.4Low81 Ų81130.4 Ų130.450%0.49767%0.67SS.*  trans-71.2120.5-177.527.70000109.6H6 D7T4-H6 PolarHBondContact O-N 3.04Å; T4-D7 PolarHBondContact O-N 3.15Å; T4-D7 PolarHBondContact OG1-OD2 3.1Å
5S54.1Low54.8Low97 Ų97124.9 Ų124.968%0.67865%0.653SS**Hα-helixtrans-54-12.3176.4-58.10000114.6W3 D7W3-S5 PolarHBondContact O-N 3.45Å; S5-D7 VanDerWaalsContact C-N 3.34Å
6H53.3Low55Low164 Ų164119.4 Ų119.476%0.75964%0.636SS**Hα-helixtrans-67.6-30.7175-143.1-110.5000112.9T4 G10T4-H6 PolarHBondContact O-N 3.04Å; H6-G10 PolarHBondContact O-N 3.16Å; H6-G10 VanDerWaalsContact O-N 3.14Å
7D53.3Low55.1Low99 Ų99120.2 Ų120.253%0.52963%0.632SS.*Hα-helixtrans-75-34.3-179.2-62.8-54.9000111.9T4 S5 F11T4-D7 PolarHBondContact O-N 3.15Å; T4-D7 PolarHBondContact OG1-OD2 3.1Å; S5-D7 VanDerWaalsContact C-N 3.34Å; D7-F11 WeakPolarHBondContact O-CB 3.13Å; D7-F11 PolarHBondContact O-N 2.81Å
8T55.4Low55.2Low91 Ų91117.2 Ų117.256%0.55862%0.622SS**Hα-helixtrans-69.6-39.9177.5-43.70000111.8F11 V12T8-F11 PolarHBondContact O-N 2.86Å; T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 2.76Å; T8-V12 VanDerWaalsContact O-N 3.16Å
9V58.4Low55.2Low80 Ų80117.5 Ų117.549%0.48563%0.628SS.*Hα-helixtrans-67.9-44.8176.7174.20000110.2F11 V12 F13V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.14Å; V9-V12 PolarHBondContact O-N 2.97Å; V9-F13 HydrophobicContact CG1-CD2 3.59Å; V9-F13 HydrophobicContact CG1-CE2 3.62Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.24Å; V9-F13 PolarHBondContact O-N 2.85Å
10G59Low55Low34 Ų34120 Ų12035%0.35164%0.636SS.*Hα-helixtrans-58.1-39.3175.500000113.3H6 F13 L14H6-G10 PolarHBondContact O-N 3.16Å; H6-G10 VanDerWaalsContact O-N 3.14Å; G10-F13 PolarHBondContact O-N 3.01Å; G10-L14 WeakPolarHBondContact O-CB 3.31Å; G10-L14 PolarHBondContact O-N 2.82Å
11F58.6Low54.8Low152 Ų152121 Ų12167%0.66764%0.635SS**Hα-helixtrans-68.1-40.4178-161.1-94.9000113D7 T8 V9 L14 A15D7-F11 WeakPolarHBondContact O-CB 3.13Å; D7-F11 PolarHBondContact O-N 2.81Å; T8-F11 PolarHBondContact O-N 2.86Å; V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.14Å; F11-L14 PolarHBondContact O-N 2.76Å; F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.12Å
12V60.4Low55Low99 Ų99111.7 Ų111.760%0.660%0.602SS**Hα-helixtrans-68.6-38.1176.3174.90000111.4T8 V9 G16T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 2.76Å; T8-V12 VanDerWaalsContact O-N 3.16Å; V9-V12 PolarHBondContact O-N 2.97Å; V12-G16 PolarHBondContact O-N 2.82Å
13F58.3Low55.2Low147 Ų147110.4 Ų110.465%0.64559%0.592SS**Hα-helixtrans-68.7-39.9174.5-87.2-79.3000112.6V9 G10 G16 F17V9-F13 HydrophobicContact CG1-CD2 3.59Å; V9-F13 HydrophobicContact CG1-CE2 3.62Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.24Å; V9-F13 PolarHBondContact O-N 2.85Å; G10-F13 PolarHBondContact O-N 3.01Å; F13-G16 PolarHBondContact O-N 3.19Å; F13-F17 WeakPolarHBondContact O-CB 3.25Å; F13-F17 PolarHBondContact O-N 3.45Å
14L57.7Low55.5Low118 Ų118103.9 Ų103.962%0.61858%0.582SS**Hα-helixtrans-65.4-43.2174.4-115.6104.3000112G10 F11 F17 C18G10-L14 WeakPolarHBondContact O-CB 3.31Å; G10-L14 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 2.76Å; L14-F17 PolarHBondContact O-N 3.39Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 2.8Å
15A59.6Low56.1Low49 Ų49106.7 Ų106.741%0.40559%0.587SS.*Hα-helixtrans-64-42176.200000111.6F11 F17 C18 V19F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.12Å; A15-F17 VanDerWaalsContact C-N 3.35Å; A15-F17 PolarHBondContact O-N 2.68Å; A15-C18 PolarHBondContact O-N 3.38Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.71Å; A15-V19 VanDerWaalsContact O-N 3.11Å
16G58.6Low57.4Low37 Ų37108.4 Ų108.438%0.38159%0.585SS.*Hα-helixtrans-63-37.9173.300000113.1V12 F13 V19 Q20V12-G16 PolarHBondContact O-N 2.82Å; F13-G16 PolarHBondContact O-N 3.19Å; G16-V19 PolarHBondContact O-N 3.03Å; G16-Q20 WeakPolarHBondContact O-CB 3.38Å; G16-Q20 VanDerWaalsContact O-CG 3.31Å; G16-Q20 WeakPolarHBondContact O-CG 3.32Å; G16-Q20 PolarHBondContact O-N 2.91Å
17F56.3Low59.2Low132 Ų132101 Ų10158%0.57955%0.553SS**Hα-helixtrans-70.3-37175.1-116.4-98.7000112.8F13 L14 A15 V19 Q20 F21F13-F17 WeakPolarHBondContact O-CB 3.25Å; F13-F17 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 3.39Å; A15-F17 VanDerWaalsContact C-N 3.35Å; A15-F17 PolarHBondContact O-N 2.68Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.21Å; F17-Q20 PolarHBondContact O-N 3.08Å; F17-F21 AromaticContact CD1-CD2 3.66Å; F17-F21 HydrophobicContact CD1-CD2 3.66Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 AromaticContact CE1-CD2 3.73Å; F17-F21 HydrophobicContact CE1-CD2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 WeakPolarHBondContact O-CB 3.31Å; F17-F21 PolarHBondContact O-N 3.32Å
18C56.1Low61.2Low66 Ų66102.8 Ų102.845%0.44655%0.552SS.*Hα-helixtrans-67-28174.1-75.20000113.1L14 A15 F21 G22L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 2.8Å; A15-C18 PolarHBondContact O-N 3.38Å; C18-F21 CarbonylContact O-C 3.46Å; C18-G22 PolarHBondContact O-N 2.73Å
19V55.8Low63.2Low123 Ų123100.4 Ų100.475%0.74553%0.534SS*.Hα-helixtrans-80.4-32.9174.8177.60000111.5A15 G16 F17A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.71Å; A15-V19 VanDerWaalsContact O-N 3.11Å; G16-V19 PolarHBondContact O-N 3.03Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.21Å
20Q51.8Low65Low167 Ų167100.5 Ų100.578%0.7854%0.535SS*.Hα-helixtrans-79.3-40.1176.4-72.9-71.5-5.700113.1G16 F17 G22G16-Q20 WeakPolarHBondContact O-CB 3.38Å; G16-Q20 VanDerWaalsContact O-CG 3.31Å; G16-Q20 WeakPolarHBondContact O-CG 3.32Å; G16-Q20 PolarHBondContact O-N 2.91Å; F17-Q20 PolarHBondContact O-N 3.08Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å
21F50.8Low66.9Low141 Ų141102.4 Ų102.462%0.61854%0.537SS*.THydrogen-bonded Turntrans-95.659.8167.3-82.3-95.1000108.9F17 C18 F23F17-F21 AromaticContact CD1-CD2 3.66Å; F17-F21 HydrophobicContact CD1-CD2 3.66Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 AromaticContact CE1-CD2 3.73Å; F17-F21 HydrophobicContact CE1-CD2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 WeakPolarHBondContact O-CB 3.31Å; F17-F21 PolarHBondContact O-N 3.32Å; C18-F21 CarbonylContact O-C 3.46Å; F21-F23 VanDerWaalsContact C-N 3.34Å; F21-F23 PolarHBondContact O-N 2.87Å
22G49.1Very low68.8Low48 Ų4899.9 Ų99.950%0.49553%0.53SS..  trans-51106.1166.200000107.6C18 Q20 S24C18-G22 PolarHBondContact O-N 2.73Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å; G22-S24 PolarHBondContact O-N 2.88Å
23F50.5Low70.5Confident158 Ų15895.7 Ų95.769%0.69351%0.505SS*.  trans-54108.2172.7-85.4-94000105.5F21 F25F21-F23 VanDerWaalsContact C-N 3.34Å; F21-F23 PolarHBondContact O-N 2.87Å; F23-F25 HydrophobicContact CB-CD2 3.86Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.41Å; F23-F25 VanDerWaalsContact CB-CE2 3.41Å; F23-F25 HydrophobicContact CB-CZ 3.77Å; F23-F25 HydrophobicContact CG-CE2 4.37Å; F23-F25 HydrophobicContact CG-CZ 4.34Å; F23-F25 WeakPolarHBondContact O-CD2 3.34Å; F23-F25 PolarHBondContact O-N 3.14Å
24S56.3Low72.3Confident98 Ų9892.5 Ų92.569%0.68550%0.501SS*.  trans-66.185.3175.2-64.60000107.4G22 E26G22-S24 PolarHBondContact O-N 2.88Å; S24-E26 PolarHBondContact O-N 2.79Å
25F63.9Low74.2Confident140 Ų14092.7 Ų92.761%0.61450%0.503SS*.  trans-71.82170.7-70.4-72.6000111.9F23 T54F23-F25 HydrophobicContact CB-CD2 3.86Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.41Å; F23-F25 VanDerWaalsContact CB-CE2 3.41Å; F23-F25 HydrophobicContact CB-CZ 3.77Å; F23-F25 HydrophobicContact CG-CE2 4.37Å; F23-F25 HydrophobicContact CG-CZ 4.34Å; F23-F25 WeakPolarHBondContact O-CD2 3.34Å; F23-F25 PolarHBondContact O-N 3.14Å; F25-T54 HydrophobicContact CB-CG2 4.02Å; F25-T54 HydrophobicContact CD1-CG2 3.71Å; F25-T54 HydrophobicContact CG-CG2 4.36Å
26E81.8Confident75.9Confident134 Ų13492.6 Ų92.663%0.62650%0.495SS*.SBendtrans-88.4138.4177.1-162.6166.2-173.100110.5S24 Y140S24-E26 PolarHBondContact O-N 2.79Å; E26-Y140 HydrophobicContact CG-CE1 4.32Å
27G91.2Very high77.7Confident9 Ų994.7 Ų94.79%0.09350%0.5CS..  trans-70.2152.3176.200000111.6Q51 S52G27-Q51 CarbonylContact C-O 3.54Å; G27-Q51 WeakPolarHBondContact CA-O 3.35Å; G27-S52 WeakPolarHBondContact CA-O 3.5Å; G27-S52 PolarHBondContact N-O 3.4Å
28R95.4Very high79.6Confident135 Ų13589.1 Ų89.151%0.50948%0.477SS..EExtended strand (participates in β ladder)trans-137.7150.9-178.870.2-179.1-173.8-78.6-9.5111.8F50 Q51R28-F50 VanDerWaalsContact C-CD2 3.47Å; R28-F50 WeakPolarHBondContact O-CA 3.5Å; R28-F50 WeakPolarHBondContact O-CD2 3.27Å; R28-Q51 VanDerWaalsContact CZ-OE1 3.3Å; R28-Q51 PolarHBondContact N-O 2.79Å; R28-Q51 PolarHBondContact O-N 2.66Å
29F97.3Very high81.5Confident41 Ų4192.1 Ų92.118%0.1848%0.482CS..EExtended strand (participates in β ladder)trans-71.8131166.5-68-79.9000110.1L32 A49 F50 V129 A142F29-L32 HydrophobicContact CB-CD1 3.67Å; F29-L32 HydrophobicContact CB-CG 3.9Å; F29-L32 HydrophobicContact CG-CG 4.5Å; F29-A49 CarbonylContact C-O 3.57Å; F29-A49 VanDerWaalsContact CA-O 3.27Å; F29-A49 WeakPolarHBondContact CA-O 3.39Å; F29-F50 HydrophobicContact CD1-CB 4.21Å; F29-F50 AromaticContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD2-CD2 4.3Å; F29-F50 HydrophobicContact CE1-CB 4.4Å; F29-F50 AromaticContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE2-CD2 4.37Å; F29-F50 HydrophobicContact CG-CD2 4.08Å; F29-F50 HydrophobicContact CZ-CD2 4.21Å; F29-V129 HydrophobicContact CE1-CG2 3.82Å; F29-V129 HydrophobicContact CZ-CG2 4.37Å; F29-A142 HydrophobicContact CD1-CB 4.28Å; F29-A142 HydrophobicContact CD2-CB 4.3Å; F29-A142 HydrophobicContact CE1-CB 4.02Å; F29-A142 HydrophobicContact CE2-CB 4.03Å; F29-A142 HydrophobicContact CG-CB 4.42Å; F29-A142 HydrophobicContact CZ-CB 3.89Å
30T97.5Very high83.4Confident82 Ų8290.2 Ų90.250%0.50347%0.465SS..EExtended strand (participates in β ladder)trans-100.4-20.3174570000112.2A49 Q51T30-A49 PolarHBondContact N-O 2.85Å; T30-A49 VanDerWaalsContact OG1-CB 3.26Å; T30-A49 WeakPolarHBondContact OG1-CB 3.39Å; T30-A49 PolarHBondContact OG1-O 3.39Å; T30-Q51 HydrophobicContact CG2-CB 3.96Å
31D98.2Very high85.4Confident74 Ų7484.5 Ų84.540%0.39645%0.451SS..EExtended strand (participates in β ladder)trans-139.6127.7171.6-164.51.3000107.9A47 C48 A49D31-A47 WeakPolarHBondContact OD2-CB 3.43Å; D31-C48 WeakPolarHBondContact O-CA 3.29Å; D31-A49 HydrophobicContact CB-CB 3.66Å; D31-A49 PolarHBondContact N-O 3.18Å; D31-A49 PolarHBondContact O-N 2.79Å
32L97.9Very high87.6Confident99 Ų9982.3 Ų82.352%0.51844%0.443SS..  trans-113.3139.9-176.6-78.290.6000110.1F29 A47 A142F29-L32 HydrophobicContact CB-CD1 3.67Å; F29-L32 HydrophobicContact CB-CG 3.9Å; F29-L32 HydrophobicContact CG-CG 4.5Å; L32-A47 CarbonylContact C-O 3.49Å; L32-A142 HydrophobicContact CD2-CB 4.49Å
33P97.5Very high89.8Confident11 Ų1185.6 Ų85.67%0.07145%0.449CS..  trans-65.6145.2172.434.6-38.6000110.1W63 A142 A144P33-W63 HydrophobicContact CB-CH2 3.7Å; P33-W63 HydrophobicContact CB-CZ3 4.29Å; P33-W63 HydrophobicContact CG-CH2 4.26Å; P33-A142 HydrophobicContact CG-CB 4.16Å; P33-A144 HydrophobicContact CB-CB 3.66Å; P33-A144 HydrophobicContact CG-CB 4.09Å
34S96.1Very high92Very high81 Ų8178.9 Ų78.957%0.56642%0.42SS*.  trans-118.1142.2-174.5-67.20000111.3M36S34-M36 PolarHBondContact O-N 2.78Å
35N96.7Very high94Very high122 Ų12278.2 Ų78.265%0.65241%0.406SS*.  trans-59.5131.4172.6-65.2-22.1000109.9A144 W145N35-A144 WeakPolarHBondContact OD1-CA 3.37Å; N35-W145 WeakPolarHBondContact CA-O 3.02Å; N35-W145 PolarHBondContact OD1-N 2.83Å
36M95.3Very high95.6Very high47 Ų4771.7 Ų71.723%0.23238%0.378CS..EExtended strand (participates in β ladder)trans-139.7151.5-179.671.4179.67700112.2S34 V38 I44 M46 W145 L146 R147S34-M36 PolarHBondContact O-N 2.78Å; M36-V38 HydrophobicContact CG-CG1 4.21Å; M36-V38 HydrophobicContact SD-CG1 4.11Å; M36-I44 HydrophobicContact SD-CB 3.91Å; M36-I44 HydrophobicContact SD-CD1 4.15Å; M36-I44 HydrophobicContact SD-CG1 4.48Å; M36-I44 HydrophobicContact SD-CG2 4.04Å; M36-M46 HydrophobicContact CE-CG 3.27Å; M36-M46 HydrophobicContact CE-SD 3.86Å; M36-W145 PolarHBondContact N-O 3.44Å; M36-L146 HydrophobicContact CG-CD1 3.5Å; M36-L146 HydrophobicContact SD-CD1 4Å; M36-R147 PolarHBondContact O-N 3.42Å
37T96.5Very high96.3Very high81 Ų8166.2 Ų66.250%0.49736%0.356SS..EExtended strand (participates in β ladder)trans-120.1123.1172.6-57.50000108.7R147 N149T37-R147 CarbonylContact C-O 3.58Å; T37-R147 WeakPolarHBondContact CA-O 3.45Å; T37-R147 HydrophobicContact CG2-CB 3.97Å; T37-N149 WeakPolarHBondContact CG2-ND2 3.3Å
38V96.1Very high96.7Very high15 Ų1565.9 Ų65.99%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-128.2159.1-175.3-58.50000111.1M36 I44 V117 L146 R147 V148 N149M36-V38 HydrophobicContact CG-CG1 4.21Å; M36-V38 HydrophobicContact SD-CG1 4.11Å; V38-I44 HydrophobicContact CB-CG2 4.11Å; V38-I44 HydrophobicContact CG1-CG2 3.59Å; V38-I44 HydrophobicContact CG2-CG2 3.99Å; V38-V117 HydrophobicContact CG2-CB 4.33Å; V38-V117 HydrophobicContact CG2-CG1 3.79Å; V38-L146 HydrophobicContact CG1-CD1 4.42Å; V38-L146 HydrophobicContact CG2-CD1 3.76Å; V38-R147 PolarHBondContact N-O 2.62Å; V38-V148 HydrophobicContact CG2-CG2 4.34Å; V38-V148 CarbonylContact O-C 3.57Å; V38-V148 WeakPolarHBondContact O-CA 3.28Å; V38-N149 PolarHBondContact O-N 2.8Å
39K95.7Very high96.8Very high129 Ų12960 Ų6056%0.56133%0.332SS*.EExtended strand (participates in β ladder)trans-85.6148.8172.7-65.9-178.7-178.8178.20109.8G41 Q42K39-G41 PolarHBondContact O-N 3.31Å; K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 WeakPolarHBondContact O-CB 3.41Å; K39-Q42 WeakPolarHBondContact O-CG 3.43Å; K39-Q42 PolarHBondContact O-N 2.96Å
40E95.3Very high96.9Very high82 Ų8258 Ų5838%0.38332%0.323SS..THydrogen-bonded Turntrans-52.2137.5172-166.4-178.4179.500111.9Q42 V117 V148 N149 T151E40-Q42 VanDerWaalsContact C-N 3.34Å; E40-V117 CarbonylContact C-O 3.55Å; E40-V117 VanDerWaalsContact CA-O 3.32Å; E40-V117 WeakPolarHBondContact CA-O 3.5Å; E40-V148 HydrophobicContact CB-CG1 4.41Å; E40-N149 PolarHBondContact N-O 2.98Å; E40-N149 VanDerWaalsContact N-O 3.12Å; E40-T151 HydrophobicContact CB-CG2 4.49Å; E40-T151 PolarHBondContact OE2-N 2.85Å; E40-T151 PolarHBondContact OE2-OG1 2.93Å
41G94.7Very high96.9Very high48 Ų4857 Ų5750%0.49531%0.312SS..THydrogen-bonded Turntrans85.4-6.5-178.100000115.3K39 V117K39-G41 PolarHBondContact O-N 3.31Å; G41-V117 PolarHBondContact N-O 3.48Å
42Q96.1Very high96.6Very high95 Ų9553.4 Ų53.444%0.44429%0.294SS..  trans-72.9156.6173.7-67.3-171.9-59.700111.7K39 E40 R116 V117K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 WeakPolarHBondContact O-CB 3.41Å; K39-Q42 WeakPolarHBondContact O-CG 3.43Å; K39-Q42 PolarHBondContact O-N 2.96Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-R116 PolarHBondContact O-N 2.82Å; Q42-V117 WeakPolarHBondContact O-CB 3.32Å; Q42-V117 VanDerWaalsContact O-CG2 3.3Å; Q42-V117 WeakPolarHBondContact O-CG2 3.49Å; Q42-V117 PolarHBondContact O-N 3.06Å
43N96.7Very high96.1Very high117 Ų11750.7 Ų50.763%0.62629%0.289SS*.  trans-99.7138168.5-60.4-19.6000108.2I114 S115 R116N43-I114 CarbonylContact C-O 3.51Å; N43-I114 VanDerWaalsContact CA-O 3.31Å; N43-I114 WeakPolarHBondContact CA-O 3.41Å; N43-S115 VanDerWaalsContact OD1-CA 3.24Å; N43-S115 WeakPolarHBondContact OD1-CA 3.29Å; N43-R116 PolarHBondContact OD1-N 3.47Å
44I96.4Very high95.6Very high16 Ų1652 Ų528%0.08230%0.297CS..EExtended strand (participates in β ladder)trans-125.7156.6-179.868.4105.2000110.7M36 V38 M46 Q113 I114 V117 L146M36-I44 HydrophobicContact SD-CB 3.91Å; M36-I44 HydrophobicContact SD-CD1 4.15Å; M36-I44 HydrophobicContact SD-CG1 4.48Å; M36-I44 HydrophobicContact SD-CG2 4.04Å; V38-I44 HydrophobicContact CB-CG2 4.11Å; V38-I44 HydrophobicContact CG1-CG2 3.59Å; V38-I44 HydrophobicContact CG2-CG2 3.99Å; I44-M46 HydrophobicContact CD1-CE 3.93Å; I44-M46 HydrophobicContact CD1-CG 4.1Å; I44-M46 HydrophobicContact CD1-SD 4.47Å; I44-Q113 WeakPolarHBondContact O-CA 3.23Å; I44-I114 HydrophobicContact CD1-CB 4.21Å; I44-I114 HydrophobicContact CD1-CD1 3.99Å; I44-I114 HydrophobicContact CD1-CG1 4.03Å; I44-I114 HydrophobicContact CG1-CB 3.85Å; I44-I114 HydrophobicContact CG1-CD1 4.42Å; I44-I114 HydrophobicContact CG1-CG1 4.25Å; I44-I114 PolarHBondContact N-O 2.66Å; I44-I114 PolarHBondContact O-N 2.9Å; I44-V117 HydrophobicContact CB-CG2 4.47Å; I44-V117 HydrophobicContact CG1-CG2 3.82Å; I44-V117 HydrophobicContact CG2-CG2 3.96Å; I44-L146 HydrophobicContact CD1-CD2 4.22Å; I44-L146 HydrophobicContact CG1-CD2 4.41Å
45E97.3Very high95.2Very high84 Ų8451.6 Ų51.639%0.39330%0.298SS..EExtended strand (participates in β ladder)trans-134131.7174.1-177.1175.2108.700108.9K111 L112 Q113E45-K111 HydrophobicContact CG-CB 4.22Å; E45-K111 HydrophobicContact CG-CD 4.37Å; E45-K111 HydrophobicContact CG-CG 4.49Å; E45-K111 VanDerWaalsContact OE1-CD 3.31Å; E45-K111 WeakPolarHBondContact OE1-CD 3.4Å; E45-K111 WeakPolarHBondContact OE1-CE 3.42Å; E45-K111 IonicContact OE1-NZ 3.4Å; E45-K111 PolarHBondContact OE1-NZ 3.16Å; E45-L112 CarbonylContact C-O 3.58Å; E45-L112 VanDerWaalsContact CA-O 3.27Å; E45-L112 WeakPolarHBondContact CA-O 3.45Å; E45-Q113 HydrophobicContact CB-CG 4.42Å; E45-Q113 HydrophobicContact CG-CG 4.1Å; E45-Q113 PolarHBondContact OE2-NE2 3.24Å
46M97.3Very high94.8Very high4 Ų446.5 Ų46.52%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-119.2126171-70.6-175.6-6800108.8M36 I44 W63 K111 L112 Y125 A144M36-M46 HydrophobicContact CE-CG 3.27Å; M36-M46 HydrophobicContact CE-SD 3.86Å; I44-M46 HydrophobicContact CD1-CE 3.93Å; I44-M46 HydrophobicContact CD1-CG 4.1Å; I44-M46 HydrophobicContact CD1-SD 4.47Å; M46-W63 HydrophobicContact CB-CH2 3.64Å; M46-W63 HydrophobicContact CB-CZ2 4.07Å; M46-W63 HydrophobicContact CB-CZ3 4.44Å; M46-W63 WeakPolarHBondContact O-CZ2 3.47Å; M46-K111 CarbonylContact O-C 3.53Å; M46-K111 VanDerWaalsContact O-CA 3.29Å; M46-K111 WeakPolarHBondContact O-CA 3.48Å; M46-L112 HydrophobicContact CB-CB 4.47Å; M46-L112 HydrophobicContact CE-CD2 3.71Å; M46-L112 PolarHBondContact N-O 3.19Å; M46-L112 PolarHBondContact O-N 3.39Å; M46-Y125 HydrophobicContact CE-CD1 3.82Å; M46-Y125 HydrophobicContact CE-CD2 3.8Å; M46-Y125 HydrophobicContact CE-CE1 4.37Å; M46-Y125 HydrophobicContact CE-CE2 4.36Å; M46-Y125 HydrophobicContact CE-CG 3.49Å; M46-Y125 VanDerWaalsContact CE-CG 3.49Å; M46-A144 HydrophobicContact SD-CB 4.23Å
47A98Very high94.8Very high19 Ų1947 Ų4716%0.15728%0.278CS..EExtended strand (participates in β ladder)trans-100.7146.6179.100000110.6D31 L32 K111D31-A47 WeakPolarHBondContact OD2-CB 3.43Å; L32-A47 CarbonylContact C-O 3.49Å; A47-K111 HydrophobicContact CB-CG 3.95Å
48C98.6Very high94.7Very high1 Ų146 Ų461%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-143.9132171-176.20000108.5D31 I61 W63 S109 H110 C127D31-C48 WeakPolarHBondContact O-CA 3.29Å; C48-I61 HydrophobicContact CB-CD1 4.05Å; C48-W63 HydrophobicContact CB-CH2 4.34Å; C48-W63 HydrophobicContact CB-CZ2 3.73Å; C48-S109 CarbonylContact O-C 3.59Å; C48-S109 WeakPolarHBondContact O-CA 3.32Å; C48-H110 PolarHBondContact N-O 2.97Å; C48-H110 PolarHBondContact O-N 2.79Å; C48-C127 HydrophobicContact CB-CB 3.68Å; C48-C127 WeakPolarHBondContact CB-SG 3.11Å; C48-C127 WeakPolarHBondContact SG-CB 3.37Å; C48-C127 CovalentContact SG-SG 2.03Å; C48-C127 PolarHBondContact SG-SG 2.93Å
49A98.4Very high94.8Very high11 Ų1145.3 Ų45.39%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-141.7145178.200000110.7F29 T30 D31 I108F29-A49 CarbonylContact C-O 3.57Å; F29-A49 VanDerWaalsContact CA-O 3.27Å; F29-A49 WeakPolarHBondContact CA-O 3.39Å; T30-A49 PolarHBondContact N-O 2.85Å; T30-A49 VanDerWaalsContact OG1-CB 3.26Å; T30-A49 WeakPolarHBondContact OG1-CB 3.39Å; T30-A49 PolarHBondContact OG1-O 3.39Å; D31-A49 HydrophobicContact CB-CB 3.66Å; D31-A49 PolarHBondContact N-O 3.18Å; D31-A49 PolarHBondContact O-N 2.79Å; A49-I108 CarbonylContact C-O 3.53Å; A49-I108 VanDerWaalsContact CA-O 3.29Å; A49-I108 WeakPolarHBondContact CA-O 3.35Å
50F98.3Very high94.9Very high1 Ų140.9 Ų40.90%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-141.7143-172.7-177.5-90.3000111.6R28 F29 L59 D107 I108 V129 Y140R28-F50 VanDerWaalsContact C-CD2 3.47Å; R28-F50 WeakPolarHBondContact O-CA 3.5Å; R28-F50 WeakPolarHBondContact O-CD2 3.27Å; F29-F50 HydrophobicContact CD1-CB 4.21Å; F29-F50 AromaticContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD2-CD2 4.3Å; F29-F50 HydrophobicContact CE1-CB 4.4Å; F29-F50 AromaticContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE2-CD2 4.37Å; F29-F50 HydrophobicContact CG-CD2 4.08Å; F29-F50 HydrophobicContact CZ-CD2 4.21Å; F50-L59 HydrophobicContact CD1-CD1 4.43Å; F50-D107 WeakPolarHBondContact O-CA 3.37Å; F50-I108 HydrophobicContact CB-CG2 4.06Å; F50-I108 PolarHBondContact N-O 2.95Å; F50-I108 PolarHBondContact O-N 3.08Å; F50-V129 HydrophobicContact CB-CB 4.38Å; F50-V129 HydrophobicContact CB-CG1 4.03Å; F50-V129 HydrophobicContact CB-CG2 3.9Å; F50-V129 HydrophobicContact CD1-CB 4.47Å; F50-V129 HydrophobicContact CD1-CG1 3.59Å; F50-V129 HydrophobicContact CD2-CB 4.44Å; F50-V129 HydrophobicContact CD2-CG1 4.39Å; F50-V129 HydrophobicContact CE1-CG1 4.09Å; F50-V129 HydrophobicContact CG-CB 4.19Å; F50-V129 HydrophobicContact CG-CG1 3.75Å; F50-V129 HydrophobicContact CG-CG2 4.23Å; F50-Y140 HydrophobicContact CD2-CG 4.46Å; F50-Y140 HydrophobicContact CE1-CD2 4.15Å; F50-Y140 HydrophobicContact CE1-CE2 4.23Å; F50-Y140 AromaticContact CE2-CD1 3.81Å; F50-Y140 HydrophobicContact CE2-CD1 3.81Å; F50-Y140 AromaticContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CE1 4.27Å; F50-Y140 HydrophobicContact CE2-CE2 4.12Å; F50-Y140 AromaticContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CE2-CG 3.47Å; F50-Y140 VanDerWaalsContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CZ-CD1 4.07Å; F50-Y140 AromaticContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CE1 4.16Å; F50-Y140 AromaticContact CZ-CE2 3.41Å; F50-Y140 HydrophobicContact CZ-CE2 3.41Å; F50-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F50-Y140 AromaticContact CZ-CG 3.66Å; F50-Y140 HydrophobicContact CZ-CG 3.66Å; F50-Y140 AromaticContact CZ-CZ 3.85Å
51Q97.2Very high95.1Very high59 Ų5937 Ų3728%0.27622%0.224SC..EExtended strand (participates in β ladder)trans-126.6123.9177.4173.3165.981.100109.6G27 R28 T30 G53 N106 D107G27-Q51 CarbonylContact C-O 3.54Å; G27-Q51 WeakPolarHBondContact CA-O 3.35Å; R28-Q51 VanDerWaalsContact CZ-OE1 3.3Å; R28-Q51 PolarHBondContact N-O 2.79Å; R28-Q51 PolarHBondContact O-N 2.66Å; T30-Q51 HydrophobicContact CG2-CB 3.96Å; Q51-G53 VanDerWaalsContact C-N 3.33Å; Q51-G53 PolarHBondContact O-N 3.02Å; Q51-N106 CarbonylContact C-O 3.59Å; Q51-N106 WeakPolarHBondContact CA-O 3.49Å; Q51-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q51-D107 WeakPolarHBondContact CG-OD1 3.35Å; Q51-D107 PolarHBondContact NE2-OD1 2.9Å
52S93.2Very high95.2Very high0 Ų035.8 Ų35.80%021%0.206CC..  trans-75.5-10.7-169.159.40000116.2G27 T54 S56 N106 R131G27-S52 WeakPolarHBondContact CA-O 3.5Å; G27-S52 PolarHBondContact N-O 3.4Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 PolarHBondContact OG-O 2.85Å; S52-S56 WeakPolarHBondContact CB-OG 3.33Å; S52-S56 PolarHBondContact OG-OG 2.82Å; S52-N106 PolarHBondContact N-O 2.88Å; S52-N106 WeakPolarHBondContact OG-CA 3.27Å; S52-N106 WeakPolarHBondContact OG-CB 3.42Å; S52-N106 PolarHBondContact OG-O 2.81Å; S52-R131 PolarHBondContact O-NH1 3.47Å
53G87.5Confident95.3Very high41 Ų4131.3 Ų31.342%0.42319%0.185SC..SBendtrans69.7-29.2-177.100000114.6Q51Q51-G53 VanDerWaalsContact C-N 3.33Å; Q51-G53 PolarHBondContact O-N 3.02Å
54T86.5Confident95.3Very high39 Ų3927.3 Ų27.324%0.23916%0.161CC..SBendtrans-130.2164178.852.80000111.7F25 S52 S56 N106 R131F25-T54 HydrophobicContact CB-CG2 4.02Å; F25-T54 HydrophobicContact CD1-CG2 3.71Å; F25-T54 HydrophobicContact CG-CG2 4.36Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 PolarHBondContact OG-O 2.85Å; T54-S56 PolarHBondContact O-N 2.76Å; T54-S56 PolarHBondContact O-OG 2.93Å; T54-N106 PolarHBondContact O-OD1 2.74Å; T54-R131 PolarHBondContact OG1-NH1 3.4Å
55A87.5Confident95.3Very high72 Ų7228.5 Ų28.560%0.59517%0.166SC*.  trans-59.4121.5175.800000110.7N106 N133A55-N106 VanDerWaalsContact CA-OD1 3.31Å; A55-N106 WeakPolarHBondContact CA-OD1 3.2Å; A55-N133 PolarHBondContact O-ND2 2.85Å
56S88.9Confident95Very high16 Ų1626.1 Ų26.111%0.11216%0.157CC..  trans-111.2146177.4-560000110.5S52 T54 N106 R131S52-S56 WeakPolarHBondContact CB-OG 3.33Å; S52-S56 PolarHBondContact OG-OG 2.82Å; T54-S56 PolarHBondContact O-N 2.76Å; T54-S56 PolarHBondContact O-OG 2.93Å; S56-N106 PolarHBondContact N-OD1 3.44Å; S56-R131 WeakPolarHBondContact OG-CG 3.16Å
57V93.9Very high93.8Very high58 Ų5831.4 Ų31.435%0.35218%0.18SC..SBendtrans-68.7-45.6173.5175.70000109.2A132 Y134V57-A132 WeakPolarHBondContact CB-O 3.37Å; V57-A132 PolarHBondContact N-O 2.99Å; V57-Y134 HydrophobicContact CG2-CD2 3.92Å; V57-Y134 HydrophobicContact CG2-CE2 3.67Å; V57-Y134 HydrophobicContact CG2-CG 4.47Å
58Y95.9Very high92.2Very high59 Ų5931.8 Ų31.823%0.23118%0.183CC..EExtended strand (participates in β ladder)trans-152.6157.7168.767.8-96.5000110.9E60 K102 V103 A132Y58-E60 HydrophobicContact CD2-CB 4.37Å; Y58-E60 HydrophobicContact CE2-CB 4.31Å; Y58-K102 HydrophobicContact CD2-CD 4.09Å; Y58-K102 HydrophobicContact CD2-CG 4.1Å; Y58-K102 HydrophobicContact CE2-CD 4.42Å; Y58-V103 VanDerWaalsContact CA-O 3.32Å; Y58-V103 WeakPolarHBondContact CA-O 3.38Å; Y58-V103 WeakPolarHBondContact CB-O 3.38Å; Y58-A132 HydrophobicContact CD1-CB 3.67Å; Y58-A132 HydrophobicContact CD2-CB 4.04Å; Y58-A132 HydrophobicContact CE1-CB 3.2Å; Y58-A132 HydrophobicContact CE2-CB 3.63Å; Y58-A132 HydrophobicContact CG-CB 4.06Å; Y58-A132 PolarHBondContact N-O 2.03Å; Y58-A132 PolarHBondContact O-N 2.85Å; Y58-A132 VanDerWaalsContact O-N 3.08Å
59L97.6Very high90.3Very high0 Ų037.3 Ų37.30%022%0.219CC..EExtended strand (participates in β ladder)trans-113.2141.5164-60.9-179.8000108.8F50 K102 V103 N106 I108 T130 R131F50-L59 HydrophobicContact CD1-CD1 4.43Å; L59-K102 WeakPolarHBondContact O-CA 3.25Å; L59-V103 HydrophobicContact CB-CG2 4.28Å; L59-V103 PolarHBondContact N-O 2.82Å; L59-V103 PolarHBondContact O-N 3.3Å; L59-N106 VanDerWaalsContact CD1-C 3.44Å; L59-I108 HydrophobicContact CB-CB 4.09Å; L59-I108 HydrophobicContact CB-CD1 4.05Å; L59-I108 HydrophobicContact CB-CG2 4.01Å; L59-I108 HydrophobicContact CD1-CB 4.11Å; L59-I108 HydrophobicContact CD1-CG2 3.95Å; L59-T130 WeakPolarHBondContact CA-O 3.29Å; L59-R131 HydrophobicContact CD2-CB 3.82Å; L59-R131 HydrophobicContact CD2-CG 3.8Å
60E98.3Very high88.4Confident36 Ų3643.3 Ų43.317%0.16825%0.245CC..EExtended strand (participates in β ladder)trans-127.3124.9171.6-175.2171.9159.600109.1Y58 Q62 T100 V101 K102 V129 T130Y58-E60 HydrophobicContact CD2-CB 4.37Å; Y58-E60 HydrophobicContact CE2-CB 4.31Å; E60-Q62 HydrophobicContact CG-CG 4.21Å; E60-Q62 PolarHBondContact OE1-NE2 3.47Å; E60-T100 PolarHBondContact OE1-OG1 3.07Å; E60-V101 CarbonylContact C-O 3.53Å; E60-V101 WeakPolarHBondContact CA-O 3.33Å; E60-K102 HydrophobicContact CB-CB 4.44Å; E60-K102 HydrophobicContact CB-CG 4.39Å; E60-K102 HydrophobicContact CG-CB 4.32Å; E60-K102 IonicContact OE2-NZ 2.66Å; E60-V129 CarbonylContact O-C 3.54Å; E60-V129 VanDerWaalsContact O-CA 3.27Å; E60-V129 WeakPolarHBondContact O-CA 3.41Å; E60-T130 PolarHBondContact N-O 3.42Å; E60-T130 PolarHBondContact O-N 2.8Å
61I98.5Very high86.3Confident0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-111.9131.1176.7-173.4163.8000108.7C48 T100 V101 I108 H110 R128 V129C48-I61 HydrophobicContact CB-CD1 4.05Å; I61-T100 CarbonylContact O-C 3.42Å; I61-T100 WeakPolarHBondContact O-CA 3.5Å; I61-V101 HydrophobicContact CG2-CB 3.79Å; I61-V101 PolarHBondContact N-O 2.97Å; I61-V101 PolarHBondContact O-N 2.81Å; I61-I108 HydrophobicContact CB-CD1 3.75Å; I61-I108 HydrophobicContact CB-CG1 4.19Å; I61-I108 HydrophobicContact CB-CG2 4.28Å; I61-I108 HydrophobicContact CG2-CD1 3.38Å; I61-I108 HydrophobicContact CG2-CG1 3.68Å; I61-H110 HydrophobicContact CD1-CB 3.88Å; I61-H110 HydrophobicContact CG1-CB 4.17Å; I61-H110 HydrophobicContact CG2-CB 3.55Å; I61-R128 CarbonylContact C-O 3.57Å; I61-R128 WeakPolarHBondContact CA-O 3.26Å; I61-V129 HydrophobicContact CB-CG2 4.13Å; I61-V129 HydrophobicContact CD1-CG2 3.97Å; I61-V129 HydrophobicContact CG1-CG2 3.8Å
62Q98.3Very high83.9Confident24 Ų2451 Ų5111%0.11230%0.299CS..EExtended strand (participates in β ladder)trans-128.5141-178.3-57.1-177.5-10.700110.5E60 S99 C127 R128E60-Q62 HydrophobicContact CG-CG 4.21Å; E60-Q62 PolarHBondContact OE1-NE2 3.47Å; Q62-S99 CarbonylContact C-O 3.56Å; Q62-S99 VanDerWaalsContact CA-O 3.25Å; Q62-S99 WeakPolarHBondContact CA-O 3.34Å; Q62-C127 WeakPolarHBondContact O-CA 3.04Å; Q62-R128 HydrophobicContact CB-CB 4.49Å; Q62-R128 PolarHBondContact N-O 3.35Å; Q62-R128 PolarHBondContact O-N 3.38Å
63W98.1Very high81.6Confident0 Ų058.5 Ų58.50%034%0.338CS..EExtended strand (participates in β ladder)trans-101.9133168-81.1108000110.3P33 M46 C48 I98 S99 H110 L112 E126 C127P33-W63 HydrophobicContact CB-CH2 3.7Å; P33-W63 HydrophobicContact CB-CZ3 4.29Å; P33-W63 HydrophobicContact CG-CH2 4.26Å; M46-W63 HydrophobicContact CB-CH2 3.64Å; M46-W63 HydrophobicContact CB-CZ2 4.07Å; M46-W63 HydrophobicContact CB-CZ3 4.44Å; M46-W63 WeakPolarHBondContact O-CZ2 3.47Å; C48-W63 HydrophobicContact CB-CH2 4.34Å; C48-W63 HydrophobicContact CB-CZ2 3.73Å; W63-I98 HydrophobicContact CB-CB 4.19Å; W63-I98 HydrophobicContact CB-CD1 4.46Å; W63-I98 WeakPolarHBondContact O-CB 3.32Å; W63-I98 PolarHBondContact O-N 2.86Å; W63-S99 PolarHBondContact N-O 3.33Å; W63-S99 PolarHBondContact O-N 2.78Å; W63-H110 AromaticContact CD1-CD2 3.27Å; W63-H110 AromaticContact CD1-NE2 3.72Å; W63-H110 AromaticContact NE1-CD2 3.71Å; W63-L112 HydrophobicContact CD2-CB 3.74Å; W63-L112 HydrophobicContact CD2-CD2 4.24Å; W63-L112 HydrophobicContact CE3-CB 4.29Å; W63-L112 HydrophobicContact CE3-CD2 4.1Å; W63-L112 HydrophobicContact CG-CB 3.91Å; W63-L112 HydrophobicContact CG-CD2 4.48Å; W63-L112 HydrophobicContact CH2-CB 4.45Å; W63-L112 HydrophobicContact CZ2-CB 4.02Å; W63-E126 WeakPolarHBondContact CA-O 3.01Å; W63-C127 HydrophobicContact CE3-CB 4.34Å; W63-C127 HydrophobicContact CH2-CB 4.32Å; W63-C127 HydrophobicContact CZ2-CB 4.49Å; W63-C127 HydrophobicContact CZ3-CB 4.21Å
64W96.8Very high79.5Confident33 Ų3360.2 Ų60.213%0.12534%0.344CS..EExtended strand (participates in β ladder)trans-126.2142.6179.4-70.578.4000110.5E94 G95 T96 K97 Y125 E126W64-E94 VanDerWaalsContact CE3-O 3.28Å; W64-E94 HydrophobicContact CZ3-CB 4.47Å; W64-G95 WeakPolarHBondContact CZ3-O 3.4Å; W64-T96 CarbonylContact C-O 3.49Å; W64-T96 WeakPolarHBondContact CA-O 3.41Å; W64-K97 HydrophobicContact CD2-CB 3.96Å; W64-K97 HydrophobicContact CD2-CG 4.43Å; W64-K97 HydrophobicContact CE3-CB 4.06Å; W64-K97 HydrophobicContact CH2-CB 3.88Å; W64-K97 HydrophobicContact CZ2-CB 3.75Å; W64-K97 HydrophobicContact CZ2-CD 3.94Å; W64-K97 HydrophobicContact CZ2-CG 4.06Å; W64-K97 HydrophobicContact CZ3-CB 4.02Å; W64-Y125 WeakPolarHBondContact O-CA 3.43Å; W64-E126 HydrophobicContact CB-CB 4.34Å; W64-E126 PolarHBondContact N-O 3.31Å; W64-E126 PolarHBondContact O-N 2.81Å
65F95.3Very high77.6Confident41 Ų4168 Ų6818%0.1838%0.377CS..EExtended strand (participates in β ladder)trans-100.7109.6165.9179.5-111.2000108.2G95 T96 I98 Y125F65-G95 CarbonylContact O-C 3.56Å; F65-G95 WeakPolarHBondContact O-CA 3.33Å; F65-T96 PolarHBondContact N-O 3.18Å; F65-T96 PolarHBondContact O-N 3.27Å; F65-I98 HydrophobicContact CB-CD1 3.93Å; F65-I98 HydrophobicContact CB-CG1 4.19Å; F65-Y125 HydrophobicContact CB-CE1 4.36Å; F65-Y125 HydrophobicContact CD2-CD1 4.17Å; F65-Y125 HydrophobicContact CD2-CD2 4.31Å; F65-Y125 AromaticContact CD2-CE1 3.69Å; F65-Y125 HydrophobicContact CD2-CE1 3.69Å; F65-Y125 AromaticContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CG 4.47Å; F65-Y125 AromaticContact CD2-CZ 3.51Å; F65-Y125 HydrophobicContact CE2-CE1 4.5Å; F65-Y125 AromaticContact CE2-CE2 3.94Å; F65-Y125 HydrophobicContact CE2-CE2 3.94Å; F65-Y125 AromaticContact CE2-CZ 3.87Å; F65-Y125 HydrophobicContact CG-CE1 4.45Å
66V90.4Very high75.5Confident34 Ų3472.3 Ų72.321%0.20639%0.386CS..EExtended strand (participates in β ladder)trans-91.8115.8175.4-175.70000106.5A68 L124 E126V66-A68 PolarHBondContact O-N 2.97Å; V66-L124 HydrophobicContact CB-CB 4.18Å; V66-L124 HydrophobicContact CB-CD2 4.19Å; V66-L124 HydrophobicContact CB-CG 4.38Å; V66-L124 HydrophobicContact CG1-CD2 4.3Å; V66-L124 PolarHBondContact N-O 2.75Å; V66-L124 PolarHBondContact O-N 2.91Å; V66-L124 VanDerWaalsContact O-O 3.13Å; V66-E126 HydrophobicContact CG2-CB 4.13Å
67K72.5Confident73.5Confident115 Ų11581.1 Ų81.150%0.543%0.425SS..PPolyproline II helixtrans-58.7133.8-176.2-165.4179.1179.8-164.40108.6E70K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 3.19Å
68A64.8Low71Confident28 Ų2884 Ų8423%0.23144%0.442CS..PPolyproline II helixtrans-58.1136.5172.900000108.9V66 E70 W145V66-A68 PolarHBondContact O-N 2.97Å; A68-E70 PolarHBondContact O-N 2.92Å; A68-W145 HydrophobicContact CB-CH2 3.55Å; A68-W145 HydrophobicContact CB-CZ2 4.21Å; A68-W145 HydrophobicContact CB-CZ3 4.4Å
69P58.5Low68.2Low116 Ų11688.5 Ų88.575%0.75347%0.471SS*.PPolyproline II helixtrans-55.2121.5166.120.4-26.9000106.9
70E58.5Low65.8Low137 Ų13792.2 Ų92.264%0.6450%0.501SS*.PPolyproline II helixtrans-58.6133.8176.2-64.8-164.3-178.800107.1K67 A68 T72K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 3.19Å; A68-E70 PolarHBondContact O-N 2.92Å; E70-T72 PolarHBondContact O-N 2.83Å
71P54.8Low63.4Low101 Ų10199.4 Ų99.466%0.65654%0.535SS*.  trans-59.6116172.226-31000106.2D73P71-D73 PolarHBondContact O-N 2.87Å
72T46.9Very low60.6Low122 Ų122108.5 Ų108.575%0.74858%0.577SS**  trans-61.392.7164.110.80000106.1E70 S74E70-T72 PolarHBondContact O-N 2.83Å; T72-S74 PolarHBondContact O-N 2.95Å
73D43.7Very low58.3Low156 Ų156116.4 Ų116.483%0.83462%0.616SS**  trans-69.565.5164.4-66.5-27.8000107.4P71P71-D73 PolarHBondContact O-N 2.87Å
74S43.6Very low55.8Low77 Ų77124.4 Ų124.454%0.53865%0.654SS.*  trans-127.159.9170.560.70000108.1T72 E76T72-S74 PolarHBondContact O-N 2.95Å; S74-E76 PolarHBondContact O-N 2.9Å
75E47.7Very low53.2Low202 Ų202130.7 Ų130.794%0.94469%0.686SS**  trans-7059.3146.4-62.1-178.6168.500108.2
76E43.4Very low51.3Low164 Ų164135.4 Ų135.477%0.76671%0.712SS**  trans-105100.5162.1-78.4-167.216300107.1S74 V78S74-E76 PolarHBondContact O-N 2.9Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 4.48Å; E76-V78 PolarHBondContact O-N 2.74Å
77E46.2Very low49.7Very low200 Ų200138.9 Ų138.994%0.93574%0.735SS**  trans-52.392.3163.6-175.7-179.3-169.600109.4
78V41.5Very low48.8Very low119 Ų119141.7 Ų141.772%0.72175%0.75SS**  trans-137.3110.8167.6-167.50000110E76E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 4.48Å; E76-V78 PolarHBondContact O-N 2.74Å
79D37.5Very low48.6Very low154 Ų154146 Ų14682%0.82478%0.776SS**  trans18.2140.4150.5-150.613.5000120.7
80A46.8Very low48Very low77 Ų77145.3 Ų145.364%0.63677%0.766SS**SBendtrans-61.8150.7-175.200000114
81Q47.2Very low47.8Very low188 Ų188144 Ų14488%0.87977%0.769SS**  trans95.670.9169.2-53.9174.331.400115.6
82E40.3Very low47.7Very low190 Ų190146 Ų14689%0.88878%0.775SS**  trans-146.5133.9133.6-112.6166.5-170.700107.7E84E82-E84 PolarHBondContact O-N 3.27Å
83M50.9Low48.3Very low191 Ų191145.6 Ų145.694%0.94177%0.768SS**  trans-66.387.5170.7177164.3-104.500106M85M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 2.86Å
84E44.9Very low49.7Very low168 Ų168143.1 Ų143.179%0.78575%0.751SS**  trans-60.998.2173.5-167177.2176.500106.2E82 I86E82-E84 PolarHBondContact O-N 3.27Å; E84-I86 PolarHBondContact O-N 2.78Å
85M42.1Very low51.7Low164 Ų164140.3 Ų140.381%0.80874%0.735SS**  trans-59.798167.3-169.8-171.6-59.100104.3M83 P87M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 2.86Å; M85-P87 WeakPolarHBondContact O-CD 3.27Å
86I55.8Low53.8Low141 Ų141135.2 Ų135.272%0.72372%0.717SS**  trans-41.7114.6162.7-61.4169.8000104E84 E88E84-I86 PolarHBondContact O-N 2.78Å; I86-E88 PolarHBondContact O-N 2.78Å
87P57.2Low56.3Low106 Ų106132.6 Ų132.669%0.68870%0.704SS**  trans-54.9113.8177.6-22.531.9000105.4M85 P89M85-P87 WeakPolarHBondContact O-CD 3.27Å; P87-P89 VanDerWaalsContact O-N 3.09Å
88E52.3Low58.7Low175 Ų175126.6 Ų126.682%0.81868%0.677SS**PPolyproline II helixtrans-52.9125.3171.2-75.6-171.1157.400105.2I86 D90I86-E88 PolarHBondContact O-N 2.78Å; E88-D90 PolarHBondContact O-N 2.87Å
89P60.3Low61.3Low119 Ų119122.4 Ų122.477%0.77365%0.653SS**PPolyproline II helixtrans-53.7119.6-177.920.2-30.7000107.1P87 P91P87-P89 VanDerWaalsContact O-N 3.09Å; P89-P91 VanDerWaalsContact O-N 3.12Å
90D47.1Very low64.2Low101 Ų101118.1 Ų118.154%0.5463%0.633SS.*PPolyproline II helixtrans-49.7120.7-176.7-168.3-23.3000107.9E88 D92 D93E88-D90 PolarHBondContact O-N 2.87Å; D90-D92 PolarHBondContact O-N 2.83Å; D90-D92 PolarHBondContact OD1-N 2.77Å; D90-D93 PolarHBondContact O-N 2.79Å
91P54Low66.7Low110 Ų110116.9 Ų116.971%0.71462%0.617SS**THydrogen-bonded Turntrans-59.5-13.8-177.625.2-35.5000112.6P89P89-P91 VanDerWaalsContact O-N 3.12Å
92D53.3Low69.1Low143 Ų143113.2 Ų113.277%0.76560%0.598SS**THydrogen-bonded Turntrans-92.4-6.7178.2-66.7-32.9000114.4D90 E94D90-D92 PolarHBondContact O-N 2.83Å; D90-D92 PolarHBondContact OD1-N 2.77Å; D92-E94 PolarHBondContact O-N 2.87Å
93D59.3Low71.8Confident112 Ų112106.5 Ų106.560%0.59957%0.57SS**  trans-86.253.9173.6-161.113.3000111.7D90 G95D90-D93 PolarHBondContact O-N 2.79Å; D93-G95 PolarHBondContact O-N 2.96Å
94E71.9Confident73.9Confident104 Ų104106.1 Ų106.149%0.48657%0.566SS.*  trans-72.47.8-172.3-130.9-172.8145.200114.4W64 D92 R128W64-E94 VanDerWaalsContact CE3-O 3.28Å; W64-E94 HydrophobicContact CZ3-CB 4.47Å; D92-E94 PolarHBondContact O-N 2.87Å; E94-R128 PolarHBondContact O-NH2 2.79Å; E94-R128 IonicContact OE1-CZ 2.79Å; E94-R128 IonicContact OE1-NH1 3.91Å; E94-R128 PolarHBondContact OE1-NH1 3.44Å
95G85.7Confident76Confident19 Ų1999.5 Ų99.520%0.19654%0.542CS..  trans83.2177.8-171.400000113.1W64 F65 D93W64-G95 WeakPolarHBondContact CZ3-O 3.4Å; F65-G95 CarbonylContact O-C 3.56Å; F65-G95 WeakPolarHBondContact O-CA 3.33Å; D93-G95 PolarHBondContact O-N 2.96Å
96T93Very high78.5Confident95 Ų9594.9 Ų94.958%0.58352%0.521SS*.EExtended strand (participates in β ladder)trans-101.2119.5176.5-59.80000110.7W64 F65 I98W64-T96 CarbonylContact C-O 3.49Å; W64-T96 WeakPolarHBondContact CA-O 3.41Å; F65-T96 PolarHBondContact N-O 3.18Å; F65-T96 PolarHBondContact O-N 3.27Å; T96-I98 PolarHBondContact O-N 2.92Å
97K95.3Very high80.4Confident109 Ų10992.7 Ų92.747%0.47451%0.51SS..EExtended strand (participates in β ladder)trans-67119.2173.5-171.9171.466.3-172.70110.8W64W64-K97 HydrophobicContact CD2-CB 3.96Å; W64-K97 HydrophobicContact CD2-CG 4.43Å; W64-K97 HydrophobicContact CE3-CB 4.06Å; W64-K97 HydrophobicContact CH2-CB 3.88Å; W64-K97 HydrophobicContact CZ2-CB 3.75Å; W64-K97 HydrophobicContact CZ2-CD 3.94Å; W64-K97 HydrophobicContact CZ2-CG 4.06Å; W64-K97 HydrophobicContact CZ3-CB 4.02Å
98I95.8Very high82.4Confident74 Ų7488.1 Ų88.138%0.37948%0.48SS..EExtended strand (participates in β ladder)trans-90.9-46.1-178.3-47.8174000110.9W63 F65 T96 L112 Y125W63-I98 HydrophobicContact CB-CB 4.19Å; W63-I98 HydrophobicContact CB-CD1 4.46Å; W63-I98 WeakPolarHBondContact O-CB 3.32Å; W63-I98 PolarHBondContact O-N 2.86Å; F65-I98 HydrophobicContact CB-CD1 3.93Å; F65-I98 HydrophobicContact CB-CG1 4.19Å; T96-I98 PolarHBondContact O-N 2.92Å; I98-L112 HydrophobicContact CB-CD1 4.41Å; I98-L112 HydrophobicContact CD1-CD1 4.23Å; I98-L112 HydrophobicContact CD1-CD2 3.81Å; I98-L112 HydrophobicContact CG2-CD1 3.67Å; I98-Y125 HydrophobicContact CD1-CD1 3.71Å; I98-Y125 HydrophobicContact CD1-CE1 3.65Å
99S97.6Very high84.6Confident31 Ų3184 Ų8422%0.21747%0.471CS..EExtended strand (participates in β ladder)trans-156.3156.7-17961.10000111.9Q62 W63 H110Q62-S99 CarbonylContact C-O 3.56Å; Q62-S99 VanDerWaalsContact CA-O 3.25Å; Q62-S99 WeakPolarHBondContact CA-O 3.34Å; W63-S99 PolarHBondContact N-O 3.33Å; W63-S99 PolarHBondContact O-N 2.78Å; S99-H110 PolarHBondContact OG-NE2 2.88Å
100T97.8Very high86.4Confident64 Ų6480.2 Ų80.239%0.39344%0.443SS..EExtended strand (participates in β ladder)trans-138.7141.1175.7177.40000109.9E60 I61E60-T100 PolarHBondContact OE1-OG1 3.07Å; I61-T100 CarbonylContact O-C 3.42Å; I61-T100 WeakPolarHBondContact O-CA 3.5Å
101V98.3Very high88.8Confident50 Ų5080.7 Ų80.730%0.30344%0.44SS..EExtended strand (participates in β ladder)trans-134.7136.1172.3176.90000108E60 I61 V103 I108E60-V101 CarbonylContact C-O 3.53Å; E60-V101 WeakPolarHBondContact CA-O 3.33Å; I61-V101 HydrophobicContact CG2-CB 3.79Å; I61-V101 PolarHBondContact N-O 2.97Å; I61-V101 PolarHBondContact O-N 2.81Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V101-I108 WeakPolarHBondContact O-CD1 3.36Å
102K97.9Very high90.9Very high112 Ų11275.9 Ų75.949%0.48741%0.408SS..EExtended strand (participates in β ladder)trans-127.9133.3179.7-176.4171.1-179.1144.20110.3Y58 L59 E60Y58-K102 HydrophobicContact CD2-CD 4.09Å; Y58-K102 HydrophobicContact CD2-CG 4.1Å; Y58-K102 HydrophobicContact CE2-CD 4.42Å; L59-K102 WeakPolarHBondContact O-CA 3.25Å; E60-K102 HydrophobicContact CB-CB 4.44Å; E60-K102 HydrophobicContact CB-CG 4.39Å; E60-K102 HydrophobicContact CG-CB 4.32Å; E60-K102 IonicContact OE2-NZ 2.66Å
103V97.3Very high93.1Very high48 Ų4875.8 Ų75.829%0.29140%0.403SS..EExtended strand (participates in β ladder)trans-134.3151.8-179.8-55.10000111Y58 L59 V101 I108Y58-V103 VanDerWaalsContact CA-O 3.32Å; Y58-V103 WeakPolarHBondContact CA-O 3.38Å; Y58-V103 WeakPolarHBondContact CB-O 3.38Å; L59-V103 HydrophobicContact CB-CG2 4.28Å; L59-V103 PolarHBondContact N-O 2.82Å; L59-V103 PolarHBondContact O-N 3.3Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V103-I108 HydrophobicContact CG1-CD1 4.36Å; V103-I108 HydrophobicContact CG1-CG1 4.34Å; V103-I108 HydrophobicContact CG2-CB 4Å; V103-I108 HydrophobicContact CG2-CD1 3.84Å; V103-I108 HydrophobicContact CG2-CG1 3.84Å
104Q94.9Very high94.8Very high184 Ų18471.5 Ų71.586%0.8638%0.38SS*.SBendtrans-87.3125.8162.2-67.7-179-1200107.7
105G89.5Confident96Very high28 Ų2870.2 Ų70.229%0.28938%0.382SS..SBendtrans144.1-172.6-176.900000112.4
106N94.7Very high96.5Very high67 Ų6778.5 Ų78.536%0.35841%0.408SS..SBendtrans-112.2-4.4-174.2-60.1-28.2000113Q51 S52 T54 A55 S56 L59Q51-N106 CarbonylContact C-O 3.59Å; Q51-N106 WeakPolarHBondContact CA-O 3.49Å; S52-N106 PolarHBondContact N-O 2.88Å; S52-N106 WeakPolarHBondContact OG-CA 3.27Å; S52-N106 WeakPolarHBondContact OG-CB 3.42Å; S52-N106 PolarHBondContact OG-O 2.81Å; T54-N106 PolarHBondContact O-OD1 2.74Å; A55-N106 VanDerWaalsContact CA-OD1 3.31Å; A55-N106 WeakPolarHBondContact CA-OD1 3.2Å; S56-N106 PolarHBondContact N-OD1 3.44Å; L59-N106 VanDerWaalsContact CD1-C 3.44Å
107D96.3Very high96.6Very high95 Ų9574 Ų7451%0.50838%0.38SS..EExtended strand (participates in β ladder)trans-129.7138.8179.9-56.4-61.4000108.8F50 Q51F50-D107 WeakPolarHBondContact O-CA 3.37Å; Q51-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q51-D107 WeakPolarHBondContact CG-OD1 3.35Å; Q51-D107 PolarHBondContact NE2-OD1 2.9Å
108I98.1Very high96.6Very high10 Ų1070.5 Ų70.55%0.05137%0.369CS..EExtended strand (participates in β ladder)trans-144.1143.1175.9-163.5171.3000109.6A49 F50 L59 I61 V101 V103 V129A49-I108 CarbonylContact C-O 3.53Å; A49-I108 VanDerWaalsContact CA-O 3.29Å; A49-I108 WeakPolarHBondContact CA-O 3.35Å; F50-I108 HydrophobicContact CB-CG2 4.06Å; F50-I108 PolarHBondContact N-O 2.95Å; F50-I108 PolarHBondContact O-N 3.08Å; L59-I108 HydrophobicContact CB-CB 4.09Å; L59-I108 HydrophobicContact CB-CD1 4.05Å; L59-I108 HydrophobicContact CB-CG2 4.01Å; L59-I108 HydrophobicContact CD1-CB 4.11Å; L59-I108 HydrophobicContact CD1-CG2 3.95Å; I61-I108 HydrophobicContact CB-CD1 3.75Å; I61-I108 HydrophobicContact CB-CG1 4.19Å; I61-I108 HydrophobicContact CB-CG2 4.28Å; I61-I108 HydrophobicContact CG2-CD1 3.38Å; I61-I108 HydrophobicContact CG2-CG1 3.68Å; V101-I108 WeakPolarHBondContact O-CD1 3.36Å; V103-I108 HydrophobicContact CG1-CD1 4.36Å; V103-I108 HydrophobicContact CG1-CG1 4.34Å; V103-I108 HydrophobicContact CG2-CB 4Å; V103-I108 HydrophobicContact CG2-CD1 3.84Å; V103-I108 HydrophobicContact CG2-CG1 3.84Å; I108-V129 HydrophobicContact CG2-CG1 4.21Å
109S98.2Very high96.4Very high89 Ų8971.8 Ų71.862%0.62237%0.372SS*.EExtended strand (participates in β ladder)trans-143146.5173.163.50000110.5C48C48-S109 CarbonylContact O-C 3.59Å; C48-S109 WeakPolarHBondContact O-CA 3.32Å
110H98.6Very high96.1Very high40 Ų4077 Ų7719%0.18540%0.398CS..EExtended strand (participates in β ladder)trans-152144.8178.9-170.130.7000111.1C48 I61 W63 S99C48-H110 PolarHBondContact N-O 2.97Å; C48-H110 PolarHBondContact O-N 2.79Å; I61-H110 HydrophobicContact CD1-CB 3.88Å; I61-H110 HydrophobicContact CG1-CB 4.17Å; I61-H110 HydrophobicContact CG2-CB 3.55Å; W63-H110 AromaticContact CD1-CD2 3.27Å; W63-H110 AromaticContact CD1-NE2 3.72Å; W63-H110 AromaticContact NE1-CD2 3.71Å; S99-H110 PolarHBondContact OG-NE2 2.88Å
111K98.3Very high95.9Very high110 Ų11076 Ų7648%0.47839%0.39SS..EExtended strand (participates in β ladder)trans-120.9120.9-175.7-72.6176.1163.9-151.50109.9E45 M46 A47E45-K111 HydrophobicContact CG-CB 4.22Å; E45-K111 HydrophobicContact CG-CD 4.37Å; E45-K111 HydrophobicContact CG-CG 4.49Å; E45-K111 VanDerWaalsContact OE1-CD 3.31Å; E45-K111 WeakPolarHBondContact OE1-CD 3.4Å; E45-K111 WeakPolarHBondContact OE1-CE 3.42Å; E45-K111 IonicContact OE1-NZ 3.4Å; E45-K111 PolarHBondContact OE1-NZ 3.16Å; M46-K111 CarbonylContact O-C 3.53Å; M46-K111 VanDerWaalsContact O-CA 3.29Å; M46-K111 WeakPolarHBondContact O-CA 3.48Å; A47-K111 HydrophobicContact CB-CG 3.95Å
112L98.1Very high95.8Very high9 Ų976.2 Ų76.25%0.04739%0.388CS..EExtended strand (participates in β ladder)trans-81.5128.5169.4-179.563.2000109.1E45 M46 W63 I98 I114 Y125E45-L112 CarbonylContact C-O 3.58Å; E45-L112 VanDerWaalsContact CA-O 3.27Å; E45-L112 WeakPolarHBondContact CA-O 3.45Å; M46-L112 HydrophobicContact CB-CB 4.47Å; M46-L112 HydrophobicContact CE-CD2 3.71Å; M46-L112 PolarHBondContact N-O 3.19Å; M46-L112 PolarHBondContact O-N 3.39Å; W63-L112 HydrophobicContact CD2-CB 3.74Å; W63-L112 HydrophobicContact CD2-CD2 4.24Å; W63-L112 HydrophobicContact CE3-CB 4.29Å; W63-L112 HydrophobicContact CE3-CD2 4.1Å; W63-L112 HydrophobicContact CG-CB 3.91Å; W63-L112 HydrophobicContact CG-CD2 4.48Å; W63-L112 HydrophobicContact CH2-CB 4.45Å; W63-L112 HydrophobicContact CZ2-CB 4.02Å; I98-L112 HydrophobicContact CB-CD1 4.41Å; I98-L112 HydrophobicContact CD1-CD1 4.23Å; I98-L112 HydrophobicContact CD1-CD2 3.81Å; I98-L112 HydrophobicContact CG2-CD1 3.67Å; L112-I114 HydrophobicContact CD2-CD1 4.18Å; L112-I114 HydrophobicContact CD2-CG1 4.34Å; L112-I114 HydrophobicContact CG-CG1 4.17Å; L112-Y125 HydrophobicContact CD2-CD1 3.45Å; L112-Y125 VanDerWaalsContact CD2-CD1 3.45Å; L112-Y125 HydrophobicContact CD2-CE1 3.72Å; L112-Y125 HydrophobicContact CD2-CG 4.39Å
113Q97.9Very high95.6Very high142 Ų14270.9 Ų70.966%0.66436%0.364SS*.EExtended strand (participates in β ladder)trans-120.2125.8175.8-67.5-177.7-29.900109.3I44 E45I44-Q113 WeakPolarHBondContact O-CA 3.23Å; E45-Q113 HydrophobicContact CB-CG 4.42Å; E45-Q113 HydrophobicContact CG-CG 4.1Å; E45-Q113 PolarHBondContact OE2-NE2 3.24Å
114I96.4Very high95.5Very high22 Ų2270.3 Ų70.311%0.11336%0.359CS..EExtended strand (participates in β ladder)trans-119.3122.4176.1-47.7179.6000107.8N43 I44 L112 V117 Y125 L146N43-I114 CarbonylContact C-O 3.51Å; N43-I114 VanDerWaalsContact CA-O 3.31Å; N43-I114 WeakPolarHBondContact CA-O 3.41Å; I44-I114 HydrophobicContact CD1-CB 4.21Å; I44-I114 HydrophobicContact CD1-CD1 3.99Å; I44-I114 HydrophobicContact CD1-CG1 4.03Å; I44-I114 HydrophobicContact CG1-CB 3.85Å; I44-I114 HydrophobicContact CG1-CD1 4.42Å; I44-I114 HydrophobicContact CG1-CG1 4.25Å; I44-I114 PolarHBondContact N-O 2.66Å; I44-I114 PolarHBondContact O-N 2.9Å; L112-I114 HydrophobicContact CD2-CD1 4.18Å; L112-I114 HydrophobicContact CD2-CG1 4.34Å; L112-I114 HydrophobicContact CG-CG1 4.17Å; I114-V117 HydrophobicContact CB-CG2 4.14Å; I114-V117 HydrophobicContact CG2-CG2 3.9Å; I114-Y125 HydrophobicContact CD1-CE1 3.65Å; I114-Y125 HydrophobicContact CD1-CE2 4.43Å; I114-Y125 VanDerWaalsContact CD1-OH 3.23Å; I114-Y125 WeakPolarHBondContact CD1-OH 3.37Å; I114-L146 HydrophobicContact CD1-CD2 4.14Å
115S96.6Very high95.6Very high76 Ų7661.9 Ų61.953%0.53132%0.32SS..SBendtrans-98.8141.9179.769.90000111.2N43 V117N43-S115 VanDerWaalsContact OD1-CA 3.24Å; N43-S115 WeakPolarHBondContact OD1-CA 3.29Å; S115-V117 PolarHBondContact O-N 2.8Å
116R95.6Very high95.9Very high194 Ų19460.9 Ų60.973%0.73231%0.308SS*.SBendtrans51.455.1177.9-60.2-179.2-68.4-163.9-2.3112.1Q42 N43 S118Q42-R116 PolarHBondContact O-N 2.82Å; N43-R116 PolarHBondContact OD1-N 3.47Å; R116-S118 PolarHBondContact O-N 2.78Å
117V95.7Very high96.1Very high0 Ų057.7 Ų57.70%029%0.29CS..  trans-50.3131.2-178.7172.70000110.9V38 E40 G41 Q42 I44 I114 S115 D121 L146 V148V38-V117 HydrophobicContact CG2-CB 4.33Å; V38-V117 HydrophobicContact CG2-CG1 3.79Å; E40-V117 CarbonylContact C-O 3.55Å; E40-V117 VanDerWaalsContact CA-O 3.32Å; E40-V117 WeakPolarHBondContact CA-O 3.5Å; G41-V117 PolarHBondContact N-O 3.48Å; Q42-V117 WeakPolarHBondContact O-CB 3.32Å; Q42-V117 VanDerWaalsContact O-CG2 3.3Å; Q42-V117 WeakPolarHBondContact O-CG2 3.49Å; Q42-V117 PolarHBondContact O-N 3.06Å; I44-V117 HydrophobicContact CB-CG2 4.47Å; I44-V117 HydrophobicContact CG1-CG2 3.82Å; I44-V117 HydrophobicContact CG2-CG2 3.96Å; I114-V117 HydrophobicContact CB-CG2 4.14Å; I114-V117 HydrophobicContact CG2-CG2 3.9Å; S115-V117 PolarHBondContact O-N 2.8Å; V117-D121 HydrophobicContact CG1-CB 4.17Å; V117-L146 HydrophobicContact CG1-CD2 4.37Å; V117-V148 HydrophobicContact CG1-CB 4.28Å; V117-V148 HydrophobicContact CG1-CG1 3.89Å; V117-V148 HydrophobicContact CG1-CG2 3.35Å
118S94.4Very high96.2Very high35 Ų3553.6 Ų53.625%0.24527%0.268CS..  trans-117170.1-179.6730000110.5R116 N120 D121 V148R116-S118 PolarHBondContact O-N 2.78Å; S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact O-N 3.16Å; S118-N120 PolarHBondContact OG-N 2.64Å; S118-D121 WeakPolarHBondContact CA-OD2 3.08Å; S118-D121 WeakPolarHBondContact CB-OD2 3.37Å; S118-D121 PolarHBondContact N-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.3Å; S118-D121 PolarHBondContact OG-OD2 2.72Å; S118-V148 WeakPolarHBondContact O-CG2 3.2Å
119K92.3Very high96.2Very high102 Ų10253.1 Ų53.144%0.44327%0.265SS..G310 helixtrans-61.1-23.5176.5-171.561.7-175.5178.90112.9D121 E122K119-D121 VanDerWaalsContact C-N 3.27Å; K119-D121 PolarHBondContact O-N 2.84Å; K119-E122 WeakPolarHBondContact CE-OE2 3.21Å; K119-E122 IonicContact NZ-OE1 2.64Å; K119-E122 PolarHBondContact NZ-OE1 2.73Å; K119-E122 IonicContact NZ-OE2 3.01Å; K119-E122 PolarHBondContact NZ-OE2 3.24Å; K119-E122 VanDerWaalsContact O-CB 3.29Å; K119-E122 WeakPolarHBondContact O-CB 3.45Å; K119-E122 PolarHBondContact O-N 3.39Å
120N91.6Very high96.1Very high141 Ų14149.8 Ų49.875%0.75424%0.242SC*.G310 helixtrans-75.2-17.3178-62.1-13.1000113.2S118S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact O-N 3.16Å; S118-N120 PolarHBondContact OG-N 2.64Å
121D94Very high95.9Very high42 Ų4248.7 Ų48.723%0.22524%0.236CC..G310 helixtrans-85.8-0.7175.4-54.7-63.4000111.4V117 S118 K119 G123 Y125 L146V117-D121 HydrophobicContact CG1-CB 4.17Å; S118-D121 WeakPolarHBondContact CA-OD2 3.08Å; S118-D121 WeakPolarHBondContact CB-OD2 3.37Å; S118-D121 PolarHBondContact N-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.3Å; S118-D121 PolarHBondContact OG-OD2 2.72Å; K119-D121 VanDerWaalsContact C-N 3.27Å; K119-D121 PolarHBondContact O-N 2.84Å; D121-G123 PolarHBondContact O-N 3.23Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.47Å; D121-L146 HydrophobicContact CB-CD2 4.47Å; D121-L146 WeakPolarHBondContact O-CD2 3.33Å
122E94.9Very high95.7Very high55 Ų5543.7 Ų43.726%0.25722%0.215SC..  trans-70.9127.5173.7179.3159.1134.800110.7K119 L146 V148K119-E122 WeakPolarHBondContact CE-OE2 3.21Å; K119-E122 IonicContact NZ-OE1 2.64Å; K119-E122 PolarHBondContact NZ-OE1 2.73Å; K119-E122 IonicContact NZ-OE2 3.01Å; K119-E122 PolarHBondContact NZ-OE2 3.24Å; K119-E122 VanDerWaalsContact O-CB 3.29Å; K119-E122 WeakPolarHBondContact O-CB 3.45Å; K119-E122 PolarHBondContact O-N 3.39Å; E122-L146 WeakPolarHBondContact CA-O 3.21Å; E122-L146 WeakPolarHBondContact CG-O 3.07Å; E122-V148 HydrophobicContact CB-CB 4.42Å; E122-V148 HydrophobicContact CB-CG2 4.1Å; E122-V148 PolarHBondContact OE2-N 3.05Å
123G94.3Very high95.4Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans162.6-167.317800000113.8D121 L146D121-G123 PolarHBondContact O-N 3.23Å; G123-L146 PolarHBondContact N-O 3.11Å; G123-L146 PolarHBondContact O-N 3.27Å
124L95.4Very high94.9Very high35 Ų3548.9 Ų48.918%0.18323%0.233CC..EExtended strand (participates in β ladder)trans-93.7124.5-179.7-174.968.1000109.8V66 Q143 W145V66-L124 HydrophobicContact CB-CB 4.18Å; V66-L124 HydrophobicContact CB-CD2 4.19Å; V66-L124 HydrophobicContact CB-CG 4.38Å; V66-L124 HydrophobicContact CG1-CD2 4.3Å; V66-L124 PolarHBondContact N-O 2.75Å; V66-L124 PolarHBondContact O-N 2.91Å; V66-L124 VanDerWaalsContact O-O 3.13Å; L124-Q143 HydrophobicContact CD1-CB 4.07Å; L124-W145 HydrophobicContact CB-CE3 3.86Å; L124-W145 HydrophobicContact CB-CZ3 3.94Å; L124-W145 HydrophobicContact CD1-CE3 4.06Å
125Y96.6Very high94.4Very high7 Ų752.3 Ų52.33%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-106.1135.9174-69.9-95.4000109.6M46 W64 F65 I98 L112 I114 D121 Q143 A144 L146M46-Y125 HydrophobicContact CE-CD1 3.82Å; M46-Y125 HydrophobicContact CE-CD2 3.8Å; M46-Y125 HydrophobicContact CE-CE1 4.37Å; M46-Y125 HydrophobicContact CE-CE2 4.36Å; M46-Y125 HydrophobicContact CE-CG 3.49Å; M46-Y125 VanDerWaalsContact CE-CG 3.49Å; W64-Y125 WeakPolarHBondContact O-CA 3.43Å; F65-Y125 HydrophobicContact CB-CE1 4.36Å; F65-Y125 HydrophobicContact CD2-CD1 4.17Å; F65-Y125 HydrophobicContact CD2-CD2 4.31Å; F65-Y125 AromaticContact CD2-CE1 3.69Å; F65-Y125 HydrophobicContact CD2-CE1 3.69Å; F65-Y125 AromaticContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CG 4.47Å; F65-Y125 AromaticContact CD2-CZ 3.51Å; F65-Y125 HydrophobicContact CE2-CE1 4.5Å; F65-Y125 AromaticContact CE2-CE2 3.94Å; F65-Y125 HydrophobicContact CE2-CE2 3.94Å; F65-Y125 AromaticContact CE2-CZ 3.87Å; F65-Y125 HydrophobicContact CG-CE1 4.45Å; I98-Y125 HydrophobicContact CD1-CD1 3.71Å; I98-Y125 HydrophobicContact CD1-CE1 3.65Å; L112-Y125 HydrophobicContact CD2-CD1 3.45Å; L112-Y125 VanDerWaalsContact CD2-CD1 3.45Å; L112-Y125 HydrophobicContact CD2-CE1 3.72Å; L112-Y125 HydrophobicContact CD2-CG 4.39Å; I114-Y125 HydrophobicContact CD1-CE1 3.65Å; I114-Y125 HydrophobicContact CD1-CE2 4.43Å; I114-Y125 VanDerWaalsContact CD1-OH 3.23Å; I114-Y125 WeakPolarHBondContact CD1-OH 3.37Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.47Å; Y125-Q143 CarbonylContact O-C 3.57Å; Y125-Q143 WeakPolarHBondContact O-CA 3.38Å; Y125-A144 PolarHBondContact N-O 2.97Å; Y125-A144 PolarHBondContact O-N 3.03Å; Y125-L146 HydrophobicContact CD2-CB 3.89Å; Y125-L146 HydrophobicContact CE2-CB 3.62Å; Y125-L146 HydrophobicContact CE2-CD2 3.76Å; Y125-L146 HydrophobicContact CE2-CG 4.3Å
126E96.9Very high94Very high7 Ų752.8 Ų52.83%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-124.8126.9-178-174.5170.878.800110.9W63 W64 V66 R128 K141 A142 Q143W63-E126 WeakPolarHBondContact CA-O 3.01Å; W64-E126 HydrophobicContact CB-CB 4.34Å; W64-E126 PolarHBondContact N-O 3.31Å; W64-E126 PolarHBondContact O-N 2.81Å; V66-E126 HydrophobicContact CG2-CB 4.13Å; E126-R128 HydrophobicContact CG-CG 3.97Å; E126-R128 IonicContact OE1-CZ 2.79Å; E126-R128 VanDerWaalsContact OE1-CZ 3.25Å; E126-R128 IonicContact OE1-NE 3.99Å; E126-R128 PolarHBondContact OE1-NE 2.89Å; E126-R128 IonicContact OE1-NH2 2.79Å; E126-R128 PolarHBondContact OE1-NH2 2.78Å; E126-K141 HydrophobicContact CG-CB 4.44Å; E126-K141 IonicContact OE1-NZ 3.84Å; E126-A142 WeakPolarHBondContact CA-O 3.42Å; E126-Q143 HydrophobicContact CB-CG 4.14Å; E126-Q143 HydrophobicContact CG-CG 3.9Å; E126-Q143 WeakPolarHBondContact OE2-CG 2.75Å; E126-Q143 PolarHBondContact OE2-NE2 2.8Å
127C98Very high93.9Very high0 Ų049.3 Ų49.30%026%0.263CS..EExtended strand (participates in β ladder)trans-91.5114.7166.2177.90000108.5C48 Q62 W63 K141 A142C48-C127 HydrophobicContact CB-CB 3.68Å; C48-C127 WeakPolarHBondContact CB-SG 3.11Å; C48-C127 WeakPolarHBondContact SG-CB 3.37Å; C48-C127 CovalentContact SG-SG 2.03Å; C48-C127 PolarHBondContact SG-SG 2.93Å; Q62-C127 WeakPolarHBondContact O-CA 3.04Å; W63-C127 HydrophobicContact CE3-CB 4.34Å; W63-C127 HydrophobicContact CH2-CB 4.32Å; W63-C127 HydrophobicContact CZ2-CB 4.49Å; W63-C127 HydrophobicContact CZ3-CB 4.21Å; C127-K141 CarbonylContact O-C 3.49Å; C127-K141 WeakPolarHBondContact O-CA 3.48Å; C127-A142 HydrophobicContact CB-CB 4.5Å; C127-A142 PolarHBondContact N-O 2.95Å; C127-A142 PolarHBondContact O-N 2.85Å
128R97.6Very high93.8Very high9 Ų951.1 Ų51.13%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-104.9130.3173.7-56.8-172.3-176.1176.12.1109.3I61 Q62 E94 E126 Y140 K141I61-R128 CarbonylContact C-O 3.57Å; I61-R128 WeakPolarHBondContact CA-O 3.26Å; Q62-R128 HydrophobicContact CB-CB 4.49Å; Q62-R128 PolarHBondContact N-O 3.35Å; Q62-R128 PolarHBondContact O-N 3.38Å; E94-R128 PolarHBondContact O-NH2 2.79Å; E94-R128 IonicContact OE1-CZ 2.79Å; E94-R128 IonicContact OE1-NH1 3.91Å; E94-R128 PolarHBondContact OE1-NH1 3.44Å; E126-R128 HydrophobicContact CG-CG 3.97Å; E126-R128 IonicContact OE1-CZ 2.79Å; E126-R128 VanDerWaalsContact OE1-CZ 3.25Å; E126-R128 IonicContact OE1-NE 3.99Å; E126-R128 PolarHBondContact OE1-NE 2.89Å; E126-R128 IonicContact OE1-NH2 2.79Å; E126-R128 PolarHBondContact OE1-NH2 2.78Å; R128-Y140 CarbonylContact C-O 3.58Å; R128-Y140 WeakPolarHBondContact CA-O 3.47Å; R128-K141 HydrophobicContact CG-CG 4.3Å
129V98.1Very high93.8Very high0 Ų053.6 Ų53.60%028%0.281CS..EExtended strand (participates in β ladder)trans-120.6117.4174.9-179.70000109.6F29 F50 E60 I61 I108 E139 Y140F29-V129 HydrophobicContact CE1-CG2 3.82Å; F29-V129 HydrophobicContact CZ-CG2 4.37Å; F50-V129 HydrophobicContact CB-CB 4.38Å; F50-V129 HydrophobicContact CB-CG1 4.03Å; F50-V129 HydrophobicContact CB-CG2 3.9Å; F50-V129 HydrophobicContact CD1-CB 4.47Å; F50-V129 HydrophobicContact CD1-CG1 3.59Å; F50-V129 HydrophobicContact CD2-CB 4.44Å; F50-V129 HydrophobicContact CD2-CG1 4.39Å; F50-V129 HydrophobicContact CE1-CG1 4.09Å; F50-V129 HydrophobicContact CG-CB 4.19Å; F50-V129 HydrophobicContact CG-CG1 3.75Å; F50-V129 HydrophobicContact CG-CG2 4.23Å; E60-V129 CarbonylContact O-C 3.54Å; E60-V129 VanDerWaalsContact O-CA 3.27Å; E60-V129 WeakPolarHBondContact O-CA 3.41Å; I61-V129 HydrophobicContact CB-CG2 4.13Å; I61-V129 HydrophobicContact CD1-CG2 3.97Å; I61-V129 HydrophobicContact CG1-CG2 3.8Å; I108-V129 HydrophobicContact CG2-CG1 4.21Å; V129-E139 CarbonylContact O-C 3.45Å; V129-E139 WeakPolarHBondContact O-CA 3.37Å; V129-Y140 PolarHBondContact N-O 3.01Å; V129-Y140 PolarHBondContact O-N 3.35Å
130T97.1Very high93.9Very high20 Ų2050 Ų5012%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-95.8119.7173.6-49.70000109.6L59 E60 I137 V138L59-T130 WeakPolarHBondContact CA-O 3.29Å; E60-T130 PolarHBondContact N-O 3.42Å; E60-T130 PolarHBondContact O-N 2.8Å; T130-I137 HydrophobicContact CG2-CG2 3.41Å; T130-I137 VanDerWaalsContact CG2-CG2 3.41Å; T130-V138 CarbonylContact C-O 3.57Å; T130-V138 WeakPolarHBondContact CA-O 3.42Å
131R95.1Very high94.2Very high16 Ų1648.2 Ų48.26%0.0625%0.251CS..EExtended strand (participates in β ladder)trans-97.7117.5169.3-179.3-176.774.9173.72.8109.1S52 T54 S56 L59 E136 I137 V138 Y140S52-R131 PolarHBondContact O-NH1 3.47Å; T54-R131 PolarHBondContact OG1-NH1 3.4Å; S56-R131 WeakPolarHBondContact OG-CG 3.16Å; L59-R131 HydrophobicContact CD2-CB 3.82Å; L59-R131 HydrophobicContact CD2-CG 3.8Å; R131-E136 IonicContact CZ-OE1 3.99Å; R131-E136 IonicContact NH2-OE1 2.83Å; R131-E136 PolarHBondContact NH2-OE1 3.05Å; R131-E136 IonicContact NH2-OE2 3.86Å; R131-I137 WeakPolarHBondContact O-CA 3.31Å; R131-V138 PolarHBondContact N-O 3.47Å; R131-V138 PolarHBondContact O-N 3.03Å; R131-Y140 HydrophobicContact CB-CE2 4.22Å
132A94Very high94.3Very high5 Ų546.7 Ų46.74%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-108.6128.8175.200000111.5V57 Y58 I137V57-A132 WeakPolarHBondContact CB-O 3.37Å; V57-A132 PolarHBondContact N-O 2.99Å; Y58-A132 HydrophobicContact CD1-CB 3.67Å; Y58-A132 HydrophobicContact CD2-CB 4.04Å; Y58-A132 HydrophobicContact CE1-CB 3.2Å; Y58-A132 HydrophobicContact CE2-CB 3.63Å; Y58-A132 HydrophobicContact CG-CB 4.06Å; Y58-A132 PolarHBondContact N-O 2.03Å; Y58-A132 PolarHBondContact O-N 2.85Å; Y58-A132 VanDerWaalsContact O-N 3.08Å; A132-I137 HydrophobicContact CB-CG1 4.35Å
133N90.6Very high94.4Very high51 Ų5149 Ų4927%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-132.3170.2171.6-150.6-19.7000109.8A55 G135 E136A55-N133 PolarHBondContact O-ND2 2.85Å; N133-G135 PolarHBondContact O-N 2.81Å; N133-E136 HydrophobicContact CB-CB 4.47Å; N133-E136 PolarHBondContact N-O 2.91Å; N133-E136 PolarHBondContact O-N 3.49Å; N133-E136 VanDerWaalsContact O-N 3.08Å
134Y87.6Confident94.5Very high209 Ų20949 Ų4982%0.8225%0.254SS*.THydrogen-bonded Turntrans-60.1104.9-179.3-65.5-79.8000111.2V57V57-Y134 HydrophobicContact CG2-CD2 3.92Å; V57-Y134 HydrophobicContact CG2-CE2 3.67Å; V57-Y134 HydrophobicContact CG2-CG 4.47Å
135G85.3Confident94.5Very high94 Ų9450.8 Ų50.897%0.96926%0.259SS*.THydrogen-bonded Turntrans833.5-18000000115.4N133N133-G135 PolarHBondContact O-N 2.81Å
136E89.1Confident94.5Very high86 Ų8650.4 Ų50.440%0.40226%0.257SS..EExtended strand (participates in β ladder)trans-134.9127.9-179.7-167.7-166.8162.100110.5R131 N133 V138R131-E136 IonicContact CZ-OE1 3.99Å; R131-E136 IonicContact NH2-OE1 2.83Å; R131-E136 PolarHBondContact NH2-OE1 3.05Å; R131-E136 IonicContact NH2-OE2 3.86Å; N133-E136 HydrophobicContact CB-CB 4.47Å; N133-E136 PolarHBondContact N-O 2.91Å; N133-E136 PolarHBondContact O-N 3.49Å; N133-E136 VanDerWaalsContact O-N 3.08Å; E136-V138 HydrophobicContact CG-CG2 3.84Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.48Å
137I92.4Very high94.5Very high122 Ų12257.2 Ų57.263%0.62628%0.282SS*.EExtended strand (participates in β ladder)trans-127.1119.6169.9-60.5178000106.9T130 R131 A132T130-I137 HydrophobicContact CG2-CG2 3.41Å; T130-I137 VanDerWaalsContact CG2-CG2 3.41Å; R131-I137 WeakPolarHBondContact O-CA 3.31Å; A132-I137 HydrophobicContact CB-CG1 4.35Å
138V93.6Very high94.4Very high37 Ų3757.3 Ų57.322%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-119135.6179-173.70000109.1T130 R131 E136 Y140T130-V138 CarbonylContact C-O 3.57Å; T130-V138 WeakPolarHBondContact CA-O 3.42Å; R131-V138 PolarHBondContact N-O 3.47Å; R131-V138 PolarHBondContact O-N 3.03Å; E136-V138 HydrophobicContact CG-CG2 3.84Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.48Å; V138-Y140 HydrophobicContact CB-CE2 3.94Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 4.32Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å
139E94.6Very high94.2Very high87 Ų8761.1 Ų61.141%0.40730%0.304SS..EExtended strand (participates in β ladder)trans-108.1134.2174.7-172.9170.291.500110.8V129 K141V129-E139 CarbonylContact O-C 3.45Å; V129-E139 WeakPolarHBondContact O-CA 3.37Å; E139-K141 HydrophobicContact CG-CG 4.45Å; E139-K141 WeakPolarHBondContact OE1-CE 3.29Å; E139-K141 IonicContact OE1-NZ 3.25Å; E139-K141 PolarHBondContact OE1-NZ 2.95Å
140Y96Very high93.6Very high28 Ų2864 Ų6411%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-117.2138.8175.4-60.8-91.6000109.1E26 F50 R128 V129 R131 V138E26-Y140 HydrophobicContact CG-CE1 4.32Å; F50-Y140 HydrophobicContact CD2-CG 4.46Å; F50-Y140 HydrophobicContact CE1-CD2 4.15Å; F50-Y140 HydrophobicContact CE1-CE2 4.23Å; F50-Y140 AromaticContact CE2-CD1 3.81Å; F50-Y140 HydrophobicContact CE2-CD1 3.81Å; F50-Y140 AromaticContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CE1 4.27Å; F50-Y140 HydrophobicContact CE2-CE2 4.12Å; F50-Y140 AromaticContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CE2-CG 3.47Å; F50-Y140 VanDerWaalsContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CZ-CD1 4.07Å; F50-Y140 AromaticContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CE1 4.16Å; F50-Y140 AromaticContact CZ-CE2 3.41Å; F50-Y140 HydrophobicContact CZ-CE2 3.41Å; F50-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F50-Y140 AromaticContact CZ-CG 3.66Å; F50-Y140 HydrophobicContact CZ-CG 3.66Å; F50-Y140 AromaticContact CZ-CZ 3.85Å; R128-Y140 CarbonylContact C-O 3.58Å; R128-Y140 WeakPolarHBondContact CA-O 3.47Å; V129-Y140 PolarHBondContact N-O 3.01Å; V129-Y140 PolarHBondContact O-N 3.35Å; R131-Y140 HydrophobicContact CB-CE2 4.22Å; V138-Y140 HydrophobicContact CB-CE2 3.94Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 4.32Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å
141K96.2Very high92.7Very high103 Ų10366.2 Ų66.245%0.44834%0.342SS..EExtended strand (participates in β ladder)trans-124.5140.8-177.7-59.9-174.4176.5-1700111.4E126 C127 R128 E139E126-K141 HydrophobicContact CG-CB 4.44Å; E126-K141 IonicContact OE1-NZ 3.84Å; C127-K141 CarbonylContact O-C 3.49Å; C127-K141 WeakPolarHBondContact O-CA 3.48Å; R128-K141 HydrophobicContact CG-CG 4.3Å; E139-K141 HydrophobicContact CG-CG 4.45Å; E139-K141 WeakPolarHBondContact OE1-CE 3.29Å; E139-K141 IonicContact OE1-NZ 3.25Å; E139-K141 PolarHBondContact OE1-NZ 2.95Å
142A97.1Very high91.2Very high9 Ų969.9 Ų69.97%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-137.8136.9169.200000109.3F29 L32 P33 E126 C127F29-A142 HydrophobicContact CD1-CB 4.28Å; F29-A142 HydrophobicContact CD2-CB 4.3Å; F29-A142 HydrophobicContact CE1-CB 4.02Å; F29-A142 HydrophobicContact CE2-CB 4.03Å; F29-A142 HydrophobicContact CG-CB 4.42Å; F29-A142 HydrophobicContact CZ-CB 3.89Å; L32-A142 HydrophobicContact CD2-CB 4.49Å; P33-A142 HydrophobicContact CG-CB 4.16Å; E126-A142 WeakPolarHBondContact CA-O 3.42Å; C127-A142 HydrophobicContact CB-CB 4.5Å; C127-A142 PolarHBondContact N-O 2.95Å; C127-A142 PolarHBondContact O-N 2.85Å
143Q96.5Very high89.8Confident105 Ų10580 Ų8049%0.49141%0.412SS..EExtended strand (participates in β ladder)trans-123.7150.2-170.1-69-179.7-15.400112.2L124 Y125 E126L124-Q143 HydrophobicContact CD1-CB 4.07Å; Y125-Q143 CarbonylContact O-C 3.57Å; Y125-Q143 WeakPolarHBondContact O-CA 3.38Å; E126-Q143 HydrophobicContact CB-CG 4.14Å; E126-Q143 HydrophobicContact CG-CG 3.9Å; E126-Q143 WeakPolarHBondContact OE2-CG 2.75Å; E126-Q143 PolarHBondContact OE2-NE2 2.8Å
144A96.5Very high88.1Confident0 Ų083.2 Ų83.20%044%0.436CS..EExtended strand (participates in β ladder)trans-147.2140.1171.800000111.7P33 N35 M46 Y125P33-A144 HydrophobicContact CB-CB 3.66Å; P33-A144 HydrophobicContact CG-CB 4.09Å; N35-A144 WeakPolarHBondContact OD1-CA 3.37Å; M46-A144 HydrophobicContact SD-CB 4.23Å; Y125-A144 PolarHBondContact N-O 2.97Å; Y125-A144 PolarHBondContact O-N 3.03Å
145W96.4Very high86.8Confident71 Ų7184.5 Ų84.527%0.26944%0.44SS..EExtended strand (participates in β ladder)trans-93.9129.6176-168.6-76.2000111.3N35 M36 A68 L124N35-W145 WeakPolarHBondContact CA-O 3.02Å; N35-W145 PolarHBondContact OD1-N 2.83Å; M36-W145 PolarHBondContact N-O 3.44Å; A68-W145 HydrophobicContact CB-CH2 3.55Å; A68-W145 HydrophobicContact CB-CZ2 4.21Å; A68-W145 HydrophobicContact CB-CZ3 4.4Å; L124-W145 HydrophobicContact CB-CE3 3.86Å; L124-W145 HydrophobicContact CB-CZ3 3.94Å; L124-W145 HydrophobicContact CD1-CE3 4.06Å
146L96.4Very high85.7Confident0 Ų090.7 Ų90.70%043%0.433CS..EExtended strand (participates in β ladder)trans-102115.6171.7177.857.6000109.5M36 V38 I44 I114 V117 D121 E122 G123 Y125 V148M36-L146 HydrophobicContact CG-CD1 3.5Å; M36-L146 HydrophobicContact SD-CD1 4Å; V38-L146 HydrophobicContact CG1-CD1 4.42Å; V38-L146 HydrophobicContact CG2-CD1 3.76Å; I44-L146 HydrophobicContact CD1-CD2 4.22Å; I44-L146 HydrophobicContact CG1-CD2 4.41Å; I114-L146 HydrophobicContact CD1-CD2 4.14Å; V117-L146 HydrophobicContact CG1-CD2 4.37Å; D121-L146 HydrophobicContact CB-CD2 4.47Å; D121-L146 WeakPolarHBondContact O-CD2 3.33Å; E122-L146 WeakPolarHBondContact CA-O 3.21Å; E122-L146 WeakPolarHBondContact CG-O 3.07Å; G123-L146 PolarHBondContact N-O 3.11Å; G123-L146 PolarHBondContact O-N 3.27Å; Y125-L146 HydrophobicContact CD2-CB 3.89Å; Y125-L146 HydrophobicContact CE2-CB 3.62Å; Y125-L146 HydrophobicContact CE2-CD2 3.76Å; Y125-L146 HydrophobicContact CE2-CG 4.3Å; L146-V148 HydrophobicContact CG-CG2 4.22Å
147R95.9Very high84.5Confident149 Ų14992 Ų9256%0.56245%0.45SS*.EExtended strand (participates in β ladder)trans-98.7137.9170-62.9-171.1177.5176.8-3.3110.6M36 T37 V38M36-R147 PolarHBondContact O-N 3.42Å; T37-R147 CarbonylContact C-O 3.58Å; T37-R147 WeakPolarHBondContact CA-O 3.45Å; T37-R147 HydrophobicContact CG2-CB 3.97Å; V38-R147 PolarHBondContact N-O 2.62Å
148V95.6Very high83.3Confident2 Ų293.7 Ų93.71%0.01246%0.459CS..EExtended strand (participates in β ladder)trans-119.8113.1179.7-171.60000110V38 E40 V117 S118 E122 L146 A150V38-V148 HydrophobicContact CG2-CG2 4.34Å; V38-V148 CarbonylContact O-C 3.57Å; V38-V148 WeakPolarHBondContact O-CA 3.28Å; E40-V148 HydrophobicContact CB-CG1 4.41Å; V117-V148 HydrophobicContact CG1-CB 4.28Å; V117-V148 HydrophobicContact CG1-CG1 3.89Å; V117-V148 HydrophobicContact CG1-CG2 3.35Å; S118-V148 WeakPolarHBondContact O-CG2 3.2Å; E122-V148 HydrophobicContact CB-CB 4.42Å; E122-V148 HydrophobicContact CB-CG2 4.1Å; E122-V148 PolarHBondContact OE2-N 3.05Å; L146-V148 HydrophobicContact CG-CG2 4.22Å; V148-A150 PolarHBondContact O-N 3.34Å; V148-A150 VanDerWaalsContact O-N 3.14Å
149N94.3Very high82.2Confident89 Ų8997 Ų9748%0.47648%0.482SS..EExtended strand (participates in β ladder)trans-76.1101.6171.1-70.9-19.9000108.4T37 V38 E40 T151T37-N149 WeakPolarHBondContact CG2-ND2 3.3Å; V38-N149 PolarHBondContact O-N 2.8Å; E40-N149 PolarHBondContact N-O 2.98Å; E40-N149 VanDerWaalsContact N-O 3.12Å; N149-T151 PolarHBondContact O-N 3.47Å
150A86.3Confident80.8Confident62 Ų6298.5 Ų98.551%0.51250%0.498SS..  trans-56122.8172.400000108.8V148 A152V148-A150 PolarHBondContact O-N 3.34Å; V148-A150 VanDerWaalsContact O-N 3.14Å; A150-A152 PolarHBondContact O-N 3.49Å; A150-A152 VanDerWaalsContact O-N 3.08Å
151T76.9Confident79.1Confident66 Ų66101.5 Ų101.541%0.40553%0.529SS..  trans-77.6102.6169.355.50000105.9E40 N149 R153E40-T151 HydrophobicContact CB-CG2 4.49Å; E40-T151 PolarHBondContact OE2-N 2.85Å; E40-T151 PolarHBondContact OE2-OG1 2.93Å; N149-T151 PolarHBondContact O-N 3.47Å; T151-R153 PolarHBondContact O-N 2.94Å
152A63.1Low77.2Confident92 Ų92106.4 Ų106.476%0.7655%0.55SS**  trans-60.387.716600000106.8A150 P154A150-A152 PolarHBondContact O-N 3.49Å; A150-A152 VanDerWaalsContact O-N 3.08Å; A152-P154 WeakPolarHBondContact O-CD 3.42Å
153R64.9Low75.1Confident218 Ų218115.5 Ų115.582%0.82359%0.588SS**  trans-56.5117.3161.7-78.4-171.6-175.1-148.41.8103.5T151 R155T151-R153 PolarHBondContact O-N 2.94Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.47Å
154P55.2Low73Confident118 Ų118115.8 Ų115.877%0.76660%0.602SS**  trans-57.5111163.3-12.227000103.4A152 R156A152-P154 WeakPolarHBondContact O-CD 3.42Å; P154-R156 PolarHBondContact O-N 2.99Å
155R60.2Low71Confident237 Ų237120.6 Ų120.689%0.89464%0.636SS**  trans-54105164.7-79.1-176.1178.8165.80.6103.2R153 P157R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.47Å; R155-P157 VanDerWaalsContact O-CD 3.25Å; R155-P157 WeakPolarHBondContact O-CD 3.33Å
156R61.7Low68.9Low223 Ų223123.2 Ų123.284%0.84266%0.662SS**PPolyproline II helixtrans-50.7119171.9-159.5179.7-1541685.8103.6P154 L158P154-R156 PolarHBondContact O-N 2.99Å; R156-L158 PolarHBondContact O-N 2.93Å
157P64.8Low67Low114 Ų114131.3 Ų131.374%0.7470%0.704SS**PPolyproline II helixtrans-48.9121.9176.9-26.733.8000106.3R155 P159R155-P157 VanDerWaalsContact O-CD 3.25Å; R155-P157 WeakPolarHBondContact O-CD 3.33Å; P157-P159 WeakPolarHBondContact O-CD 3.35Å
158L66.1Low65.3Low158 Ų158132.4 Ų132.483%0.82772%0.716SS**PPolyproline II helixtrans-50.8123172.7-113.285.5000104.8R156 P160R156-L158 PolarHBondContact O-N 2.93Å; L158-P160 VanDerWaalsContact O-N 3.16Å
159P71.3Confident63.2Low107 Ų107140.2 Ų140.270%0.69576%0.756SS**PPolyproline II helixtrans-52.6131.4175.619.6-29000106.5P157 A161P157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-A161 PolarHBondContact O-N 3.27Å; P159-A161 VanDerWaalsContact O-N 3.14Å
160P66Low61.3Low117 Ų117141.7 Ų141.776%0.7677%0.768SS**PPolyproline II helixtrans-51.6130-176.819.9-31.1000107.5L158 K162L158-P160 VanDerWaalsContact O-N 3.16Å; P160-K162 PolarHBondContact O-N 3.16Å
161A59.6Low59.7Low92 Ų92145.7 Ų145.776%0.7678%0.781SS**  trans-47.8112.4174.300000106.8P159 K163P159-A161 PolarHBondContact O-N 3.27Å; P159-A161 VanDerWaalsContact O-N 3.14Å; A161-K163 VanDerWaalsContact C-N 3.32Å; A161-K163 PolarHBondContact O-N 2.98Å
162K55.9Low58.3Low205 Ų205152.4 Ų152.489%0.89181%0.805SS**  trans-57.6106174.3-72.1-175.9179.1-179.10104.6P160 S164P160-K162 PolarHBondContact O-N 3.16Å; K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.14Å
163K54.5Low57.5Low200 Ų200156.7 Ų156.787%0.8781%0.806SS**  trans-55.3102.6170.5-69.7-179.9178.4-179.70104.9A161 S165A161-K163 VanDerWaalsContact C-N 3.32Å; A161-K163 PolarHBondContact O-N 2.98Å; K163-S165 PolarHBondContact O-N 2.84Å
164S50.8Low57Low112 Ų112151.7 Ų151.778%0.78380%0.802SS**  trans-58.5111.8170.849.10000105.7K162K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.14Å
165S55.6Low56.6Low101 Ų101157.9 Ų157.971%0.70681%0.81SS**  trans-50.1140.9173-57.40000109.3K163 L167K163-S165 PolarHBondContact O-N 2.84Å; S165-L167 PolarHBondContact O-N 2.9Å; S165-L167 VanDerWaalsContact O-N 3.16Å
166P52.8Low55.8Low125 Ų125155.7 Ų155.781%0.81281%0.807SS**  trans-60.7122.1177.2-15.428.2000109.1H168P166-H168 PolarHBondContact O-N 3.08Å; P166-H168 VanDerWaalsContact O-N 3.1Å
167L55.3Low54.5Low171 Ų171150 Ų15090%0.89580%0.802SS**  trans-64.8108.7170.4-79162.2000108.2S165 L169S165-L167 PolarHBondContact O-N 2.9Å; S165-L167 VanDerWaalsContact O-N 3.16Å; L167-L169 PolarHBondContact O-N 3.22Å; L167-L169 VanDerWaalsContact O-N 3.15Å
168H59.8Low53.1Low172 Ų172150.2 Ų150.280%0.79680%0.801SS**  trans-72.2104.1170.6-136.8-91.5000107.9P166 T170P166-H168 PolarHBondContact O-N 3.08Å; P166-H168 VanDerWaalsContact O-N 3.1Å; H168-T170 PolarHBondContact O-N 2.85Å
169L51.4Low52.3Low166 Ų166147.7 Ų147.787%0.86980%0.797SS**  trans-70.692.5169.8-82.5163.1000108.6L167L167-L169 PolarHBondContact O-N 3.22Å; L167-L169 VanDerWaalsContact O-N 3.15Å
170T55.8Low51.2Low119 Ų119148.1 Ų148.173%0.7380%0.799SS**  trans-91.396.7156.957.10000107.8H168 K172H168-T170 PolarHBondContact O-N 2.85Å; T170-K172 PolarHBondContact O-N 2.85Å
171D52.4Low50Low147 Ų147149.9 Ų149.979%0.78680%0.802SS**  trans-53.3126.2160.5-162.4-29.9000108.8
172K47.5Very low49.1Very low206 Ų206150.3 Ų150.390%0.89680%0.799SS**  trans-174.2112.4137.9-74.6-123.6177.2-166.20110.1T170T170-K172 PolarHBondContact O-N 2.85Å
173K45.4Very low48.4Very low182 Ų182148.4 Ų148.479%0.79179%0.793SS**  trans-101.8163.3153.1-151.8166.1173.1176.60106.4
174P55.9Low47.5Very low114 Ų114144.1 Ų144.174%0.7478%0.78SS**  cis-148159.621.641.2-20.4000119.1
175R44.9Very low47Very low247 Ų247145.2 Ų145.293%0.93278%0.777SS**  trans-155.5152.1136.9-142.6166.7-175.3170.10.9112.9
176K44.8Very low46.4Very low192 Ų192147.7 Ų147.784%0.83578%0.779SS**  trans-113.7140.2-160.3-178.4-177.2-171.1-179.60109.9
177S33.4Very low45.8Very low104 Ų104146 Ų14673%0.72777%0.771SS**  trans-161.6108.1142.658.40000108.5
178T35.2Very low45.1Very low118 Ų118142.6 Ų142.672%0.72476%0.761SS**  43.9122.299.828.30000113.3
179S50Low44.1Very low105 Ų105140.6 Ų140.673%0.73476%0.756SS**  cis-174.7-156.65.730.40000108.7
180P49.2Very low43.4Very low115 Ų115139.4 Ų139.475%0.74775%0.746SS**  -93.6172.4-115.431.6-9.5000112.7
181L39.8Very low42.7Very low154 Ų154144.3 Ų144.381%0.80675%0.751SS**  -172.4120.158.5-178.364.3000107.7
182S39.9Very low42.2Very low102 Ų102143.8 Ų143.871%0.71375%0.753SS**  trans-73.4154.4159.1-52.50000109.2
183Q42.1Very low41.7Very low164 Ų164138.4 Ų138.477%0.76675%0.747SS**  trans174.3140.9136.4-90.2-164.8-71.900106.3
184D36.4Very low41.2Very low110 Ų110135.6 Ų135.659%0.58875%0.75SS**  cis-174.5150.1-7.2-106.6-12.1000105.7
185N39.5Very low40.3Very low136 Ų136136.6 Ų136.673%0.72776%0.755SS**  trans38.5148.8135.3-79.9-11.1000120.9
186M43.5Very low39.9Very low152 Ų152130 Ų13075%0.74975%0.747SS**  cis-174.5138.216.1-110.5-123.8-169.900104.6
187S39.5Very low39.3Very low90 Ų90126.2 Ų126.263%0.62974%0.744SS**  90128.5103.3-164.70000116.3
188S40.7Very low39.5Very low99 Ų99125.9 Ų125.969%0.69274%0.742SS**  trans49143.6144.7-67.60000119.8
189D38.7Very low39.6Very low130 Ų130128.9 Ų128.970%0.69575%0.747SS**  cis-177.9163.336.8-129.5-37.8000109.9
190Q37.8Very low38.9Very low142 Ų142130.5 Ų130.566%0.66475%0.753SS**  trans42.9124.9147.8-77.6177.525.500121.7
191R40.3Very low38.2Very low221 Ų221130.6 Ų130.683%0.83476%0.756SS**  -179.3128.382.3-125.6175.8-166.6113-0.8111.9
192V41.3Very low38.2Very low136 Ų136129 Ų12982%0.82476%0.758SS**  trans-65.6137.6156.8-111.40000109.8
193A36.8Very low38Very low94 Ų94131.9 Ų131.978%0.77777%0.765SS**  trans-155.897.9151.800000109.4
194S34.8Very low37.6Very low122 Ų122131 Ų13185%0.85377%0.771SS**  trans-74.2135.7155-59.40000108.1
195T37.3Very low37.4Very low136 Ų136130.1 Ų130.183%0.83478%0.78SS**  trans-141.9126.3159.7-35.70000110.7
196S36.6Very low37.1Very low109 Ų109133.5 Ų133.576%0.76279%0.788SS**  trans-61.7141.7174.7166.40000113.5
197S33.8Very low36.5Very low111 Ų111137.7 Ų137.778%0.77680%0.795SS**  trans176.3148.1134.460.10000106.4
198S36.8Very low36.2Very low97 Ų97144.1 Ų144.168%0.67881%0.807SS**  cis-161.2145.739.349.40000111.4
199H36.5Very low36.5Very low181 Ų181145.2 Ų145.284%0.83881%0.812SS**  trans-59.6141.8163.7-51.9-88.3000111.3
200T36.2Very low36.3Very low139 Ų139144.4 Ų144.485%0.85382%0.817SS**  trans-127.198.7163.557.50000109.1
201S33.4Very low36.2Very low117 Ų117143.4 Ų143.482%0.81883%0.826SS**  trans-93.2131.316441.30000108.5
202S41.3Very low35.7Very low121 Ų121136 Ų13685%0.84682%0.818SS**  trans-127.9106.3168.858.80000109.7
203N34.5Very low35.5Very low162 Ų162135.3 Ų135.387%0.86681%0.814SS**  trans-97.2129168.7-98.8-19.5000109.3
204T33.6Very low35.6Very low145 Ų145142.8 Ų142.889%0.8982%0.822SS**  trans-172.9137.7153.543.10000106
205A32.3Very low36.1Very low93 Ų93144.3 Ų144.377%0.76982%0.819SS**  cis-158148.220.800000110.6
206K33.1Very low36Very low207 Ų207145.7 Ų145.790%0.982%0.821SS**  trans-64.7135.3162.3-82171.5172.7173.30110.4
207R31.1Very low36.6Very low240 Ų240145.4 Ų145.491%0.90682%0.819SS**  trans-138.3117.2149.1-77.9-158.6-165.5-173.57.1109.8
208Y34.6Very low37.1Very low224 Ų224145.1 Ų145.188%0.87882%0.817SS**  trans-103148149.3-89.9-87.7000107.1
209P46Very low37.9Very low123 Ų123146.3 Ų146.380%0.79983%0.825SS**  -132148.8116.133.7-22.6000112.8
210S33.7Very low38.5Very low113 Ų113140.5 Ų140.579%0.7981%0.814SS**  trans-76.1148.9173170.50000111.7
211S35.7Very low39Very low121 Ų121138.8 Ų138.885%0.84681%0.805SS**  133.6134.1126.5-157.90000114.4
212G31.5Very low39.5Very low66 Ų66136.7 Ų136.768%0.6880%0.795SS**  trans131.167.2150.800000119
213T36.7Very low39.7Very low120 Ų120136.5 Ų136.574%0.73679%0.789SS**  trans13.7122.6140.3-38.70000119.4
214R37.5Very low40.2Very low251 Ų251135.7 Ų135.795%0.94778%0.784SS**  -147.1118.1126.5-67.4-163.3-143.4-143.33.9110.8
215I45.3Very low40.8Very low154 Ų154135.7 Ų135.779%0.7978%0.778SS**  trans-64.3124.1164.7-63.5159.6000107
216L36.7Very low41.4Very low166 Ų166137 Ų13787%0.86977%0.771SS**  trans-129.2105.9154.1-157.673.8000108.4S218L216-S218 PolarHBondContact O-N 2.84Å
217S49.2Very low42Very low102 Ų102130.4 Ų130.471%0.71376%0.755SS**  trans-40124.8160.5174.80000111.2
218S44Very low42.8Very low106 Ų106123.8 Ų123.874%0.74175%0.745SS**  trans-157.879.7158.8178.90000107.6L216 G220L216-S218 PolarHBondContact O-N 2.84Å; S218-G220 PolarHBondContact O-N 3.45Å
219S52.6Low43.2Very low121 Ų121115.4 Ų115.485%0.84673%0.726SS**  trans-60.7105.9161.643.90000109
220G49.5Very low43.2Very low60 Ų60115.7 Ų115.762%0.61972%0.72SS**  trans169.467.717500000114.6S218S218-G220 PolarHBondContact O-N 3.45Å
221P47.8Very low43.7Very low102 Ų102115.1 Ų115.166%0.66271%0.712SS**SBendtrans-134.91.2133.436.4-25.8000113.7V223P221-V223 VanDerWaalsContact C-N 3.32Å; P221-V223 PolarHBondContact O-N 2.8Å
222A43.2Very low44.1Very low73 Ų73119.7 Ų119.760%0.60371%0.71SS**THydrogen-bonded Turntrans-75.7-16-175.500000114.2
223V45.7Very low44.4Very low118 Ų118123.8 Ų123.872%0.71572%0.717SS**THydrogen-bonded Turntrans-92.1-20.6-178.1-177.30000112.6P221P221-V223 VanDerWaalsContact C-N 3.32Å; P221-V223 PolarHBondContact O-N 2.8Å
224L44.3Very low44.6Very low144 Ų144121.9 Ų121.975%0.75471%0.713SS**THydrogen-bonded Turntrans-77.4-21.3178.4-106.692.3000113.8
225L47.2Very low44.9Very low146 Ų146117.3 Ų117.376%0.76471%0.707SS**THydrogen-bonded Turntrans-82.7-17.7178.8-70.7170000113.3
226L44.5Very low44.7Very low119 Ų119120.8 Ų120.862%0.62373%0.726SS**THydrogen-bonded Turntrans-82.9-22.7-179.6-88.6150.2000113.4
227A45.2Very low45.1Very low69 Ų69118.5 Ų118.557%0.5772%0.718SS**THydrogen-bonded Turntrans-80.6-26-177.400000113.7
228C47.3Very low44.9Very low102 Ų102119.4 Ų119.469%0.68972%0.719SS**THydrogen-bonded Turntrans-86.4-18.1179-65.20000113.8
229G44.2Very low44.9Very low47 Ų47120.1 Ų120.149%0.48572%0.717SS.*THydrogen-bonded Turntrans-78.7-28.1179.400000114.4V231G229-V231 PolarHBondContact O-N 3.44Å
230L44.5Very low44.5Very low130 Ų130120.1 Ų120.168%0.68171%0.71SS**THydrogen-bonded Turntrans-83.2-8.6-170-70.5170.6000115
231V44.8Very low44.1Very low101 Ų101123.8 Ų123.861%0.61272%0.716SS**THydrogen-bonded Turntrans-85.5-16.4178.9-168.60000111.9G229G229-V231 PolarHBondContact O-N 3.44Å
232R45Very low43.9Very low217 Ų217125.3 Ų125.382%0.81972%0.719SS**SBendtrans-85-24.4-178-116.8179.6169.8-171.9-4.2114.6
233D36.3Very low44Very low151 Ų151129 Ų12981%0.80773%0.727SS**THydrogen-bonded Turntrans-89.21.3177.7-88.7-20.9000114
234A41.3Very low43.8Very low81 Ų81129.8 Ų129.867%0.66973%0.728SS**THydrogen-bonded Turntrans-105.14.4177.400000113.6
235L45.2Very low43.8Very low155 Ų155128.7 Ų128.781%0.81273%0.726SS**  trans-133.424.7-175.9-126.5111.6000114.4
236L39.8Very low43.5Very low226 Ų226127.1 Ų127.1100%1.18372%0.723SS**  trans-118.30162.6-91166.6000109.9

Retrieved 236 of 236 residues in 124.3 ms (Link to these results)