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Profilin

Binds to actin and affects the structure of the cytoskeleton. At high concentrations, profilin prevents the polymerization of actin, whereas it enhances it at low concentrations. By binding to PIP2, it inhibits the formation of IP3 and DG.

AlphaFold DB , UniProt , Accession A0A060Y6S3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529807, Length 139 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
1M60.8Low92.1Very high189 Ų18960.3 Ų60.393%0.93132%0.322SS*.  01280-143.1176.8-7300106.7Y6M1-Y6 HydrophobicContact SD-CE1 4.35Å
2S90.5Very high92.3Very high79 Ų7962.1 Ų62.155%0.55235%0.352SS*.  trans-78.4156.5179.457.70000110.6Q4 G5S2-Q4 PolarHBondContact O-N 2.85Å; S2-G5 PolarHBondContact O-N 3.01Å
3W95Very high92.3Very high63 Ų6364.1 Ų64.124%0.23936%0.361CS..Hα-helixtrans-58.1-32.8175.1-68.6119.1000112.9G5 Y6 V7 I21 W31 A32 L134 Y139W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.81Å; W3-Y6 AromaticContact CE3-CD2 3.7Å; W3-Y6 HydrophobicContact CE3-CD2 3.7Å; W3-Y6 AromaticContact CE3-CE2 3.97Å; W3-Y6 HydrophobicContact CE3-CE2 3.97Å; W3-Y6 HydrophobicContact CZ3-CD2 4.04Å; W3-Y6 AromaticContact CZ3-CE2 3.97Å; W3-Y6 HydrophobicContact CZ3-CE2 3.97Å; W3-Y6 PolarHBondContact O-N 3.04Å; W3-Y6 VanDerWaalsContact O-N 3.14Å; W3-V7 PolarHBondContact O-N 3.2Å; W3-I21 HydrophobicContact CD2-CG2 4.5Å; W3-I21 HydrophobicContact CE3-CB 4.36Å; W3-I21 HydrophobicContact CE3-CG1 4.48Å; W3-I21 HydrophobicContact CE3-CG2 3.74Å; W3-I21 HydrophobicContact CZ3-CG2 3.96Å; W3-W31 HydrophobicContact CB-CB 4.33Å; W3-W31 HydrophobicContact CD2-CB 4.26Å; W3-W31 HydrophobicContact CD2-CD2 4.48Å; W3-W31 AromaticContact CD2-CE3 3.73Å; W3-W31 HydrophobicContact CD2-CE3 3.73Å; W3-W31 AromaticContact CE2-CE3 3.34Å; W3-W31 AromaticContact CE2-CZ3 3.88Å; W3-W31 AromaticContact CE3-CE3 3.93Å; W3-W31 HydrophobicContact CE3-CE3 3.93Å; W3-W31 HydrophobicContact CE3-CZ3 4.5Å; W3-W31 HydrophobicContact CG-CB 3.91Å; W3-W31 AromaticContact CH2-CE3 3.52Å; W3-W31 HydrophobicContact CH2-CE3 3.52Å; W3-W31 HydrophobicContact CH2-CH2 4.46Å; W3-W31 AromaticContact CH2-CZ3 3.3Å; W3-W31 HydrophobicContact CH2-CZ3 3.3Å; W3-W31 HydrophobicContact CZ2-CD2 4.24Å; W3-W31 AromaticContact CZ2-CE3 3.25Å; W3-W31 HydrophobicContact CZ2-CE3 3.25Å; W3-W31 HydrophobicContact CZ2-CH2 4.24Å; W3-W31 AromaticContact CZ2-CZ3 3.25Å; W3-W31 HydrophobicContact CZ2-CZ3 3.25Å; W3-W31 AromaticContact CZ3-CE3 3.84Å; W3-W31 HydrophobicContact CZ3-CE3 3.84Å; W3-W31 AromaticContact CZ3-CZ3 3.95Å; W3-W31 HydrophobicContact CZ3-CZ3 3.95Å; W3-W31 AromaticContact NE1-CE3 3.9Å; W3-A32 HydrophobicContact CB-CB 3.53Å; W3-L134 HydrophobicContact CZ3-CD2 4.01Å; W3-Y139 AromaticContact CH2-CD1 3.53Å; W3-Y139 HydrophobicContact CH2-CD1 3.53Å; W3-Y139 HydrophobicContact CH2-CD2 4.31Å; W3-Y139 AromaticContact CH2-CE1 3.7Å; W3-Y139 HydrophobicContact CH2-CE1 3.7Å; W3-Y139 HydrophobicContact CH2-CE2 4.44Å; W3-Y139 AromaticContact CH2-CG 3.85Å; W3-Y139 HydrophobicContact CH2-CG 3.85Å; W3-Y139 AromaticContact CZ2-CD1 3.83Å; W3-Y139 HydrophobicContact CZ2-CD1 3.83Å; W3-Y139 AromaticContact CZ2-CE1 3.6Å; W3-Y139 HydrophobicContact CZ2-CE1 3.6Å
4Q95.4Very high92.4Very high63 Ų6361.9 Ų61.929%0.29436%0.36SS..Hα-helixtrans-59.3-35.8175.3-168.559.244.400112.7S2 Y6 V7 D8 S33S2-Q4 PolarHBondContact O-N 2.85Å; Q4-Y6 PolarHBondContact O-N 2.81Å; Q4-V7 WeakPolarHBondContact O-CB 3.49Å; Q4-V7 PolarHBondContact O-N 3.39Å; Q4-V7 VanDerWaalsContact O-N 3.11Å; Q4-D8 PolarHBondContact NE2-OD1 3.46Å; Q4-D8 PolarHBondContact O-N 3.29Å; Q4-S33 PolarHBondContact OE1-O 3.28Å
5G95.8Very high92.6Very high29 Ų2958.3 Ų58.330%0.29934%0.34SS..Hα-helixtrans-61.8-31.2177.800000113.4S2 W3 N9S2-G5 PolarHBondContact O-N 3.01Å; W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.81Å; G5-N9 WeakPolarHBondContact O-CB 3.37Å; G5-N9 PolarHBondContact O-N 2.99Å
6Y95.8Very high92.8Very high28 Ų2854.8 Ų54.811%0.1132%0.32CS..Hα-helixtrans-72.3-40.9174.1-65-68.3000111.9M1 W3 Q4 N9 L10 M130 Y133 L134M1-Y6 HydrophobicContact SD-CE1 4.35Å; W3-Y6 AromaticContact CE3-CD2 3.7Å; W3-Y6 HydrophobicContact CE3-CD2 3.7Å; W3-Y6 AromaticContact CE3-CE2 3.97Å; W3-Y6 HydrophobicContact CE3-CE2 3.97Å; W3-Y6 HydrophobicContact CZ3-CD2 4.04Å; W3-Y6 AromaticContact CZ3-CE2 3.97Å; W3-Y6 HydrophobicContact CZ3-CE2 3.97Å; W3-Y6 PolarHBondContact O-N 3.04Å; W3-Y6 VanDerWaalsContact O-N 3.14Å; Q4-Y6 PolarHBondContact O-N 2.81Å; Y6-N9 PolarHBondContact O-N 3.15Å; Y6-L10 VanDerWaalsContact O-CG 3.3Å; Y6-L10 WeakPolarHBondContact O-CG 3.49Å; Y6-L10 PolarHBondContact O-N 3.4Å; Y6-M130 HydrophobicContact CD1-CE 4.08Å; Y6-M130 HydrophobicContact CD1-SD 3.72Å; Y6-M130 HydrophobicContact CE1-SD 4.37Å; Y6-M130 HydrophobicContact CG-SD 4.45Å; Y6-Y133 HydrophobicContact CE1-CD1 4.18Å; Y6-Y133 AromaticContact CE1-CE1 3.52Å; Y6-Y133 HydrophobicContact CE1-CE1 3.52Å; Y6-Y133 AromaticContact CZ-CE1 3.92Å; Y6-L134 HydrophobicContact CE1-CD2 4.48Å; Y6-L134 HydrophobicContact CE2-CD2 4.46Å
7V96.4Very high93.1Very high0 Ų055.2 Ų55.20%032%0.318CS..Hα-helixtrans-59.5-49.7174.2173.10000109.9W3 Q4 N9 L10 M11 S19 I21 A32 F34W3-V7 PolarHBondContact O-N 3.2Å; Q4-V7 WeakPolarHBondContact O-CB 3.49Å; Q4-V7 PolarHBondContact O-N 3.39Å; Q4-V7 VanDerWaalsContact O-N 3.11Å; V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3.02Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-L10 VanDerWaalsContact O-N 3.1Å; V7-M11 VanDerWaalsContact O-CG 3.31Å; V7-M11 WeakPolarHBondContact O-CG 3.37Å; V7-M11 PolarHBondContact O-N 2.7Å; V7-M11 VanDerWaalsContact O-N 3.1Å; V7-S19 WeakPolarHBondContact CG1-OG 3.34Å; V7-S19 PolarHBondContact O-OG 2.89Å; V7-I21 HydrophobicContact CG2-CG1 4.17Å; V7-A32 HydrophobicContact CG2-CB 3.67Å; V7-F34 HydrophobicContact CG1-CB 4.21Å
8D95.6Very high93.3Very high83 Ų8352.3 Ų52.344%0.44430%0.301SS..Hα-helixtrans-61.2-38.9179.9-60.2-17.5000111.3Q4 M11 A12Q4-D8 PolarHBondContact NE2-OD1 3.46Å; Q4-D8 PolarHBondContact O-N 3.29Å; D8-M11 PolarHBondContact O-N 3.48Å; D8-A12 PolarHBondContact O-N 3Å
9N95.7Very high93.5Very high98 Ų9849.5 Ų49.552%0.52429%0.285SS..Hα-helixtrans-63.5-41175-176.5-99000112.9G5 Y6 V7 M11 A12G5-N9 WeakPolarHBondContact O-CB 3.37Å; G5-N9 PolarHBondContact O-N 2.99Å; Y6-N9 PolarHBondContact O-N 3.15Å; V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3.02Å; N9-M11 PolarHBondContact O-N 3.27Å; N9-A12 WeakPolarHBondContact O-CB 3.42Å; N9-A12 PolarHBondContact O-N 3.47Å
10L95.6Very high93.8Very high3 Ų347.1 Ų47.12%0.01627%0.271CS..Hα-helixtrans-64.5-32.7177-69.7167000111.9Y6 V7 I21 V110 V112 K126 M130Y6-L10 VanDerWaalsContact O-CG 3.3Å; Y6-L10 WeakPolarHBondContact O-CG 3.49Å; Y6-L10 PolarHBondContact O-N 3.4Å; V7-L10 PolarHBondContact O-N 3.45Å; V7-L10 VanDerWaalsContact O-N 3.1Å; L10-I21 HydrophobicContact CD1-CD1 4.24Å; L10-V110 HydrophobicContact CD1-CG1 3.69Å; L10-V110 HydrophobicContact CD2-CG1 4.33Å; L10-V112 HydrophobicContact CB-CG1 4.2Å; L10-V112 HydrophobicContact CD1-CG1 4.1Å; L10-V112 HydrophobicContact CD2-CG1 3.98Å; L10-V112 HydrophobicContact CG-CG1 4.32Å; L10-K126 HydrophobicContact CD2-CD 4Å; L10-K126 HydrophobicContact CD2-CG 3.7Å; L10-K126 PolarHBondContact O-NZ 3.17Å; L10-M130 HydrophobicContact CD1-CG 4.48Å; L10-M130 HydrophobicContact CD2-CB 4.05Å; L10-M130 HydrophobicContact CD2-CE 4.02Å; L10-M130 HydrophobicContact CD2-CG 4.2Å; L10-M130 HydrophobicContact CG-CE 4.16Å
11M96.2Very high94Very high28 Ų2844.8 Ų44.814%0.13826%0.258CS..Hα-helixtrans-82.7-18.1179.2-62.8-60.9-70.400114V7 D8 N9 D13 G14 C16 S19 F34V7-M11 VanDerWaalsContact O-CG 3.31Å; V7-M11 WeakPolarHBondContact O-CG 3.37Å; V7-M11 PolarHBondContact O-N 2.7Å; V7-M11 VanDerWaalsContact O-N 3.1Å; D8-M11 PolarHBondContact O-N 3.48Å; N9-M11 PolarHBondContact O-N 3.27Å; M11-D13 VanDerWaalsContact C-N 3.31Å; M11-D13 PolarHBondContact O-N 3.42Å; M11-G14 PolarHBondContact O-N 2.82Å; M11-C16 HydrophobicContact CE-CB 4.29Å; M11-C16 WeakPolarHBondContact CE-O 3.48Å; M11-C16 HydrophobicContact SD-CB 3.47Å; M11-C16 WeakPolarHBondContact SD-CB 3.37Å; M11-S19 WeakPolarHBondContact CG-OG 3.32Å; M11-S19 PolarHBondContact SD-OG 3.36Å; M11-F34 HydrophobicContact CE-CD1 4.22Å; M11-F34 HydrophobicContact CE-CD2 3.78Å; M11-F34 HydrophobicContact CE-CE1 4.33Å; M11-F34 HydrophobicContact CE-CE2 3.9Å; M11-F34 HydrophobicContact CE-CG 3.94Å; M11-F34 HydrophobicContact CE-CZ 4.17Å; M11-F34 HydrophobicContact CG-CD2 3.93Å; M11-F34 HydrophobicContact CG-CE2 4.49Å; M11-F34 HydrophobicContact SD-CD2 4.38Å; M11-F34 HydrophobicContact SD-CG 4.5Å
12A94.8Very high95.8Very high82 Ų8235.9 Ų35.968%0.67821%0.214SC*.THydrogen-bonded Turntrans-61.1-30.1-165.800000115.4D8 N9 G14D8-A12 PolarHBondContact O-N 3Å; N9-A12 WeakPolarHBondContact O-CB 3.42Å; N9-A12 PolarHBondContact O-N 3.47Å; A12-G14 VanDerWaalsContact C-N 3.25Å; A12-G14 PolarHBondContact O-N 3.18Å
13D92.4Very high96.1Very high88 Ų8832.1 Ų32.147%0.47119%0.188SC..THydrogen-bonded Turntrans-82.8-0.7179.672.2-2.2000113.8M11 S15 K126M11-D13 VanDerWaalsContact C-N 3.31Å; M11-D13 PolarHBondContact O-N 3.42Å; D13-S15 VanDerWaalsContact CG-OG 3.22Å; D13-S15 PolarHBondContact O-N 2.91Å; D13-S15 WeakPolarHBondContact OD1-CB 3.43Å; D13-S15 PolarHBondContact OD1-N 2.94Å; D13-S15 PolarHBondContact OD1-OG 3.29Å; D13-S15 PolarHBondContact OD2-OG 3.32Å; D13-K126 IonicContact OD1-NZ 2.7Å; D13-K126 PolarHBondContact OD1-NZ 3.05Å; D13-K126 VanDerWaalsContact OD2-CE 3.23Å; D13-K126 WeakPolarHBondContact OD2-CE 3.4Å; D13-K126 IonicContact OD2-NZ 2.62Å; D13-K126 PolarHBondContact OD2-NZ 3.46Å
14G94.1Very high96.1Very high34 Ų3430.7 Ų30.735%0.35118%0.183SC..SBendtrans70.95.2177.800000115M11 A12 K115M11-G14 PolarHBondContact O-N 2.82Å; A12-G14 VanDerWaalsContact C-N 3.25Å; A12-G14 PolarHBondContact O-N 3.18Å; G14-K115 VanDerWaalsContact O-CD 3.29Å; G14-K115 WeakPolarHBondContact O-CD 3.36Å; G14-K115 WeakPolarHBondContact O-CE 3.42Å; G14-K115 PolarHBondContact O-NZ 2.73Å
15S94.6Very high96Very high8 Ų830.1 Ų30.16%0.05618%0.183CC..  trans-78.2-28.8177.666.80000112.7D13 G114 K115 V118D13-S15 VanDerWaalsContact CG-OG 3.22Å; D13-S15 PolarHBondContact O-N 2.91Å; D13-S15 WeakPolarHBondContact OD1-CB 3.43Å; D13-S15 PolarHBondContact OD1-N 2.94Å; D13-S15 PolarHBondContact OD1-OG 3.29Å; D13-S15 PolarHBondContact OD2-OG 3.32Å; S15-G114 WeakPolarHBondContact O-CA 3.38Å; S15-K115 PolarHBondContact O-N 3.09Å; S15-V118 WeakPolarHBondContact O-CG2 3.37Å
16C96.8Very high95.6Very high2 Ų236.2 Ų36.21%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-91.9148-180-58.70000111.5M11 M113 K115M11-C16 HydrophobicContact CE-CB 4.29Å; M11-C16 WeakPolarHBondContact CE-O 3.48Å; M11-C16 HydrophobicContact SD-CB 3.47Å; M11-C16 WeakPolarHBondContact SD-CB 3.37Å; C16-M113 CarbonylContact C-O 3.51Å; C16-M113 WeakPolarHBondContact CA-O 3.47Å; C16-M113 WeakPolarHBondContact CB-O 3.42Å; C16-K115 WeakPolarHBondContact O-CE 3.47Å
17Q96.8Very high95.4Very high61 Ų6137.4 Ų37.429%0.28522%0.221SC..EExtended strand (participates in β ladder)trans-104.6-19.3166.570.7-178.8-71.200112.4M113 G114 K115Q17-M113 HydrophobicContact CG-CB 4.18Å; Q17-M113 HydrophobicContact CG-CG 3.87Å; Q17-M113 HydrophobicContact CG-SD 3.98Å; Q17-M113 PolarHBondContact N-O 3.46Å; Q17-G114 PolarHBondContact NE2-O 2.85Å; Q17-K115 HydrophobicContact CB-CG 3.88Å
18D97.7Very high95.4Very high3 Ų340.3 Ų40.32%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-149.8149176.6-163.6-1.5000110F34 G37 T38 F39 M113D18-F34 WeakPolarHBondContact OD1-CB 3.41Å; D18-G37 WeakPolarHBondContact OD2-CA 3.3Å; D18-T38 WeakPolarHBondContact OD2-CA 3.3Å; D18-T38 PolarHBondContact OD2-N 3.05Å; D18-F39 HydrophobicContact CB-CD2 3.95Å; D18-F39 HydrophobicContact CB-CE2 4.01Å; D18-F39 WeakPolarHBondContact OD2-CD2 3.41Å; D18-F39 WeakPolarHBondContact OD2-CG 3.14Å; D18-F39 PolarHBondContact OD2-N 3.24Å; D18-M113 HydrophobicContact CB-CB 3.93Å; D18-M113 PolarHBondContact N-O 3.16Å; D18-M113 PolarHBondContact O-N 2.88Å
19S97.8Very high95.4Very high0 Ų042.6 Ų42.60%024%0.237CC..EExtended strand (participates in β ladder)trans-154.3153.2170.864.20000111.6V7 M11 S33 F34 L111V7-S19 WeakPolarHBondContact CG1-OG 3.34Å; V7-S19 PolarHBondContact O-OG 2.89Å; M11-S19 WeakPolarHBondContact CG-OG 3.32Å; M11-S19 PolarHBondContact SD-OG 3.36Å; S19-S33 CarbonylContact O-C 3.48Å; S19-S33 WeakPolarHBondContact O-CA 3.35Å; S19-F34 PolarHBondContact O-N 3.01Å; S19-L111 CarbonylContact C-O 3.54Å; S19-L111 WeakPolarHBondContact CA-O 3.34Å; S19-L111 WeakPolarHBondContact CB-O 3.33Å
20A98.2Very high95.5Very high0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-151.7152.8178.300000112.5V22 A32 F39 L111A20-V22 HydrophobicContact CB-CG2 4.08Å; A20-A32 CarbonylContact C-O 3.53Å; A20-A32 VanDerWaalsContact CA-O 3.3Å; A20-A32 WeakPolarHBondContact CA-O 3.32Å; A20-A32 WeakPolarHBondContact CB-O 3.13Å; A20-F39 HydrophobicContact CB-CB 3.54Å; A20-F39 HydrophobicContact CB-CD2 4.09Å; A20-F39 HydrophobicContact CB-CG 4.19Å; A20-L111 PolarHBondContact N-O 2.9Å; A20-L111 PolarHBondContact O-N 2.95Å
21I97.9Very high95.6Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-110.8121.1165.7-52.3-61.4000107.2W3 V7 L10 W31 A32 A108 L109 V110 L134W3-I21 HydrophobicContact CD2-CG2 4.5Å; W3-I21 HydrophobicContact CE3-CB 4.36Å; W3-I21 HydrophobicContact CE3-CG1 4.48Å; W3-I21 HydrophobicContact CE3-CG2 3.74Å; W3-I21 HydrophobicContact CZ3-CG2 3.96Å; V7-I21 HydrophobicContact CG2-CG1 4.17Å; L10-I21 HydrophobicContact CD1-CD1 4.24Å; I21-W31 HydrophobicContact CG2-CE3 3.8Å; I21-W31 HydrophobicContact CG2-CZ3 4.48Å; I21-W31 WeakPolarHBondContact O-CB 3.34Å; I21-W31 PolarHBondContact O-N 3.1Å; I21-A32 PolarHBondContact N-O 3.48Å; I21-A32 PolarHBondContact O-N 3.27Å; I21-A108 HydrophobicContact CG2-CB 4.07Å; I21-L109 WeakPolarHBondContact CA-O 3.44Å; I21-V110 HydrophobicContact CD1-CB 4.46Å; I21-V110 HydrophobicContact CD1-CG1 4.23Å; I21-V110 HydrophobicContact CD1-CG2 4.04Å; I21-L134 HydrophobicContact CD1-CD1 4.43Å
22V98.1Very high95.6Very high1 Ų140.2 Ų40.21%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-125.5121.5-172.6-178.10000109.1A20 V30 I42 I47 A108 L109 L111A20-V22 HydrophobicContact CB-CG2 4.08Å; V22-V30 HydrophobicContact CG2-CG1 4.45Å; V22-V30 HydrophobicContact CG2-CG2 4.17Å; V22-I42 HydrophobicContact CG2-CD1 4.39Å; V22-I47 HydrophobicContact CG1-CD1 3.32Å; V22-I47 HydrophobicContact CG1-CG1 3.63Å; V22-A108 CarbonylContact O-C 3.46Å; V22-A108 WeakPolarHBondContact O-CA 3.5Å; V22-L109 HydrophobicContact CB-CB 4.34Å; V22-L109 PolarHBondContact N-O 2.81Å; V22-L109 PolarHBondContact O-N 3.25Å; V22-L111 HydrophobicContact CB-CD1 4.07Å; V22-L111 HydrophobicContact CG2-CD1 3.62Å
23G97.6Very high95.7Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-70.8140.6171.900000110.5S27 K28 Y29 W31 K107G23-S27 WeakPolarHBondContact CA-O 3.37Å; G23-K28 VanDerWaalsContact O-CA 3.31Å; G23-K28 WeakPolarHBondContact O-CA 3.34Å; G23-Y29 PolarHBondContact N-O 2.7Å; G23-Y29 PolarHBondContact O-N 3.01Å; G23-W31 VanDerWaalsContact CA-CE2 3.45Å; G23-K107 WeakPolarHBondContact CA-O 3.47Å
24Y95.9Very high95.9Very high34 Ų3436.4 Ų36.413%0.13319%0.191CC..  trans-122.7-0.7178.675.7-91.4000114.6K28 V51 K104 A105 G106 K107 A108 L109Y24-K28 WeakPolarHBondContact O-CE 3.34Å; Y24-V51 HydrophobicContact CD2-CB 4.29Å; Y24-V51 HydrophobicContact CD2-CG1 3.77Å; Y24-V51 HydrophobicContact CD2-CG2 4.41Å; Y24-V51 HydrophobicContact CE2-CG1 4.48Å; Y24-V51 HydrophobicContact CG-CG1 3.87Å; Y24-K104 HydrophobicContact CE1-CG 4.09Å; Y24-K104 WeakPolarHBondContact OH-CE 3.29Å; Y24-A105 WeakPolarHBondContact CE1-O 3.49Å; Y24-A105 PolarHBondContact OH-O 2.62Å; Y24-G106 PolarHBondContact OH-O 2.75Å; Y24-K107 VanDerWaalsContact CD1-O 3.25Å; Y24-K107 WeakPolarHBondContact CD1-O 3.18Å; Y24-K107 PolarHBondContact N-O 3.17Å; Y24-A108 WeakPolarHBondContact CE1-O 3.47Å; Y24-L109 HydrophobicContact CD1-CD2 3.85Å; Y24-L109 HydrophobicContact CD1-CG 3.81Å; Y24-L109 HydrophobicContact CE1-CD2 4.24Å; Y24-L109 HydrophobicContact CG-CD2 4.36Å; Y24-L109 HydrophobicContact CG-CG 4.23Å
25T93.1Very high95.8Very high50 Ų5039.2 Ų39.231%0.30720%0.203SC..SBendtrans-104.1-120.718054.70000110.7S27 K107T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.27Å; T25-K107 HydrophobicContact CG2-CB 4.44Å; T25-K107 HydrophobicContact CG2-CG 4.49Å
26D87.6Confident95.6Very high158 Ų15842.8 Ų42.885%0.84524%0.241SC*.SBendtrans-69.6-32.8-175.7-55-37.6000112.3
27S91.6Very high95.4Very high52 Ų5243.3 Ų43.336%0.36425%0.247SC..SBendtrans-103.162.6177.6-61.50000110.5G23 T25 Y29 W31G23-S27 WeakPolarHBondContact CA-O 3.37Å; T25-S27 VanDerWaalsContact C-N 3.34Å; T25-S27 PolarHBondContact O-N 3.27Å; S27-Y29 WeakPolarHBondContact O-CD1 3.41Å; S27-Y29 PolarHBondContact O-N 2.64Å; S27-W31 PolarHBondContact O-NE1 2.56Å
28K95.5Very high95.3Very high61 Ų6142.4 Ų42.427%0.26525%0.246SC..  trans-7882.2-173.6-166.5-176.2-65.7172.70112.7G23 Y24 V44 I47 D48G23-K28 VanDerWaalsContact O-CA 3.31Å; G23-K28 WeakPolarHBondContact O-CA 3.34Å; Y24-K28 WeakPolarHBondContact O-CE 3.34Å; K28-V44 HydrophobicContact CD-CG1 3.64Å; K28-V44 HydrophobicContact CG-CG1 4.4Å; K28-V44 WeakPolarHBondContact O-CG2 3.45Å; K28-I47 HydrophobicContact CD-CB 4.41Å; K28-I47 HydrophobicContact CD-CG2 4.15Å; K28-I47 HydrophobicContact CG-CB 4.21Å; K28-I47 HydrophobicContact CG-CD1 3.97Å; K28-I47 HydrophobicContact CG-CG2 3.82Å; K28-D48 WeakPolarHBondContact CE-OD1 3.43Å; K28-D48 VanDerWaalsContact NZ-CG 3.32Å; K28-D48 IonicContact NZ-OD1 3.26Å; K28-D48 PolarHBondContact NZ-OD1 2.82Å; K28-D48 IonicContact NZ-OD2 2.81Å; K28-D48 PolarHBondContact NZ-OD2 2.78Å
29Y95.9Very high95.3Very high131 Ų13142.3 Ų42.351%0.51425%0.245SC..SBendtrans-165.7173.517661.5-87.2000110G23 S27 W31G23-Y29 PolarHBondContact N-O 2.7Å; G23-Y29 PolarHBondContact O-N 3.01Å; S27-Y29 WeakPolarHBondContact O-CD1 3.41Å; S27-Y29 PolarHBondContact O-N 2.64Å; Y29-W31 AromaticContact CD2-CD1 3.9Å; Y29-W31 AromaticContact CE2-CD1 3.54Å; Y29-W31 AromaticContact CZ-CD1 3.69Å; Y29-W31 AromaticContact CZ-NE1 3.96Å; Y29-W31 PolarHBondContact O-N 3.19Å
30V97.4Very high95.2Very high30 Ų3045.5 Ų45.518%0.18226%0.264CS..EExtended strand (participates in β ladder)trans-70.8109.9175.5-175.90000110.2V22 I42V22-V30 HydrophobicContact CG2-CG1 4.45Å; V22-V30 HydrophobicContact CG2-CG2 4.17Å; V30-I42 HydrophobicContact CG2-CB 4.06Å
31W96.9Very high95.1Very high38 Ų3849.8 Ų49.814%0.14429%0.287CS..EExtended strand (participates in β ladder)trans-75.7-36.5179.1-65.9-5.8000112.5W3 I21 G23 S27 Y29 K107 A108 Y139W3-W31 HydrophobicContact CB-CB 4.33Å; W3-W31 HydrophobicContact CD2-CB 4.26Å; W3-W31 HydrophobicContact CD2-CD2 4.48Å; W3-W31 AromaticContact CD2-CE3 3.73Å; W3-W31 HydrophobicContact CD2-CE3 3.73Å; W3-W31 AromaticContact CE2-CE3 3.34Å; W3-W31 AromaticContact CE2-CZ3 3.88Å; W3-W31 AromaticContact CE3-CE3 3.93Å; W3-W31 HydrophobicContact CE3-CE3 3.93Å; W3-W31 HydrophobicContact CE3-CZ3 4.5Å; W3-W31 HydrophobicContact CG-CB 3.91Å; W3-W31 AromaticContact CH2-CE3 3.52Å; W3-W31 HydrophobicContact CH2-CE3 3.52Å; W3-W31 HydrophobicContact CH2-CH2 4.46Å; W3-W31 AromaticContact CH2-CZ3 3.3Å; W3-W31 HydrophobicContact CH2-CZ3 3.3Å; W3-W31 HydrophobicContact CZ2-CD2 4.24Å; W3-W31 AromaticContact CZ2-CE3 3.25Å; W3-W31 HydrophobicContact CZ2-CE3 3.25Å; W3-W31 HydrophobicContact CZ2-CH2 4.24Å; W3-W31 AromaticContact CZ2-CZ3 3.25Å; W3-W31 HydrophobicContact CZ2-CZ3 3.25Å; W3-W31 AromaticContact CZ3-CE3 3.84Å; W3-W31 HydrophobicContact CZ3-CE3 3.84Å; W3-W31 AromaticContact CZ3-CZ3 3.95Å; W3-W31 HydrophobicContact CZ3-CZ3 3.95Å; W3-W31 AromaticContact NE1-CE3 3.9Å; I21-W31 HydrophobicContact CG2-CE3 3.8Å; I21-W31 HydrophobicContact CG2-CZ3 4.48Å; I21-W31 WeakPolarHBondContact O-CB 3.34Å; I21-W31 PolarHBondContact O-N 3.1Å; G23-W31 VanDerWaalsContact CA-CE2 3.45Å; S27-W31 PolarHBondContact O-NE1 2.56Å; Y29-W31 AromaticContact CD2-CD1 3.9Å; Y29-W31 AromaticContact CE2-CD1 3.54Å; Y29-W31 AromaticContact CZ-CD1 3.69Å; Y29-W31 AromaticContact CZ-NE1 3.96Å; Y29-W31 PolarHBondContact O-N 3.19Å; W31-K107 HydrophobicContact CH2-CB 4.24Å; W31-A108 HydrophobicContact CE3-CB 4.29Å; W31-A108 HydrophobicContact CH2-CB 4.14Å; W31-A108 HydrophobicContact CZ3-CB 3.69Å; W31-Y139 HydrophobicContact CH2-CD1 4.41Å; W31-Y139 HydrophobicContact CZ3-CD1 4.23Å
32A97.6Very high95Very high11 Ų1150.4 Ų50.49%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-157.9153.1169.500000110W3 V7 A20 I21W3-A32 HydrophobicContact CB-CB 3.53Å; V7-A32 HydrophobicContact CG2-CB 3.67Å; A20-A32 CarbonylContact C-O 3.53Å; A20-A32 VanDerWaalsContact CA-O 3.3Å; A20-A32 WeakPolarHBondContact CA-O 3.32Å; A20-A32 WeakPolarHBondContact CB-O 3.13Å; I21-A32 PolarHBondContact N-O 3.48Å; I21-A32 PolarHBondContact O-N 3.27Å
33S97.2Very high94.9Very high15 Ų1553 Ų5311%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-151162.7176.256.70000111Q4 S19 V40Q4-S33 PolarHBondContact OE1-O 3.28Å; S19-S33 CarbonylContact O-C 3.48Å; S19-S33 WeakPolarHBondContact O-CA 3.35Å; S33-V40 WeakPolarHBondContact OG-CA 3.46Å; S33-V40 WeakPolarHBondContact OG-CB 3.45Å; S33-V40 WeakPolarHBondContact OG-CG2 3.34Å
34F96.2Very high94.9Very high76 Ų7656 Ų5633%0.33332%0.324SS..  trans-67.4127.3172.7-174-104.4000110V7 M11 D18 S19 G36 G37V7-F34 HydrophobicContact CG1-CB 4.21Å; M11-F34 HydrophobicContact CE-CD1 4.22Å; M11-F34 HydrophobicContact CE-CD2 3.78Å; M11-F34 HydrophobicContact CE-CE1 4.33Å; M11-F34 HydrophobicContact CE-CE2 3.9Å; M11-F34 HydrophobicContact CE-CG 3.94Å; M11-F34 HydrophobicContact CE-CZ 4.17Å; M11-F34 HydrophobicContact CG-CD2 3.93Å; M11-F34 HydrophobicContact CG-CE2 4.49Å; M11-F34 HydrophobicContact SD-CD2 4.38Å; M11-F34 HydrophobicContact SD-CG 4.5Å; D18-F34 WeakPolarHBondContact OD1-CB 3.41Å; S19-F34 PolarHBondContact O-N 3.01Å; F34-G36 PolarHBondContact O-N 2.97Å; F34-G37 PolarHBondContact O-N 2.68Å
35P92.3Very high94.8Very high93 Ų9360.1 Ų60.160%0.60435%0.345SS*.THydrogen-bonded Turntrans-59.1130.7-178.5-25.134.4000112.4G37P35-G37 PolarHBondContact O-N 3.04Å
36G90.1Very high94.8Very high82 Ų8258.2 Ų58.285%0.84533%0.332SS*.THydrogen-bonded Turntrans76.34.5-178.700000114.7F34F34-G36 PolarHBondContact O-N 2.97Å
37G92.8Very high95.2Very high14 Ų1450.7 Ų50.714%0.14429%0.292CS..SBendtrans-71.7173.5172.200000113.6D18 F34 P35 V40D18-G37 WeakPolarHBondContact OD2-CA 3.3Å; F34-G37 PolarHBondContact O-N 2.68Å; P35-G37 PolarHBondContact O-N 3.04Å; G37-V40 VanDerWaalsContact O-CG1 3.32Å; G37-V40 WeakPolarHBondContact O-CG1 3.46Å
38T94.3Very high95.3Very high42 Ų4251.5 Ų51.526%0.25829%0.293SS..SBendtrans-73.4-38.4170.8-58.70000111D18 V40 N41 L65 K68D18-T38 WeakPolarHBondContact OD2-CA 3.3Å; D18-T38 PolarHBondContact OD2-N 3.05Å; T38-V40 PolarHBondContact O-N 3.39Å; T38-N41 PolarHBondContact O-N 3.32Å; T38-N41 VanDerWaalsContact O-N 3.1Å; T38-L65 WeakPolarHBondContact CG2-O 3.31Å; T38-K68 HydrophobicContact CG2-CB 3.9Å
39F96.6Very high95.1Very high0 Ų052.1 Ų52.10%030%0.298CS..G310 helixtrans-68.6-17.4-170.2-62.2-30.5000114.7D18 A20 N41 I42 L65 V100 L111 M113D18-F39 HydrophobicContact CB-CD2 3.95Å; D18-F39 HydrophobicContact CB-CE2 4.01Å; D18-F39 WeakPolarHBondContact OD2-CD2 3.41Å; D18-F39 WeakPolarHBondContact OD2-CG 3.14Å; D18-F39 PolarHBondContact OD2-N 3.24Å; A20-F39 HydrophobicContact CB-CB 3.54Å; A20-F39 HydrophobicContact CB-CD2 4.09Å; A20-F39 HydrophobicContact CB-CG 4.19Å; F39-N41 PolarHBondContact O-N 3.43Å; F39-I42 HydrophobicContact CB-CD1 3.85Å; F39-I42 HydrophobicContact CD1-CD1 3.83Å; F39-I42 HydrophobicContact CG-CD1 4.13Å; F39-I42 WeakPolarHBondContact O-CG1 3.17Å; F39-I42 PolarHBondContact O-N 2.89Å; F39-L65 HydrophobicContact CD1-CD1 4.48Å; F39-L65 HydrophobicContact CE1-CB 4.39Å; F39-L65 HydrophobicContact CE1-CD1 3.77Å; F39-V100 HydrophobicContact CE1-CG1 4.31Å; F39-V100 HydrophobicContact CZ-CG1 3.81Å; F39-V100 HydrophobicContact CZ-CG2 4.26Å; F39-L111 HydrophobicContact CD1-CD2 4.17Å; F39-L111 HydrophobicContact CD2-CB 3.93Å; F39-L111 HydrophobicContact CE1-CB 4.47Å; F39-L111 HydrophobicContact CE1-CD2 4.15Å; F39-L111 HydrophobicContact CE2-CB 3.73Å; F39-L111 HydrophobicContact CG-CB 4.39Å; F39-L111 HydrophobicContact CZ-CB 4.01Å; F39-L111 HydrophobicContact CZ-CD2 4.45Å; F39-M113 HydrophobicContact CE1-CE 3.79Å; F39-M113 HydrophobicContact CE2-CB 3.94Å; F39-M113 HydrophobicContact CZ-CB 3.77Å; F39-M113 HydrophobicContact CZ-CE 3.85Å
40V96.4Very high95Very high67 Ų6745.9 Ų45.941%0.40627%0.274SS..G310 helixtrans-60.8-26172.672.50000112.4S33 G37 T38S33-V40 WeakPolarHBondContact OG-CA 3.46Å; S33-V40 WeakPolarHBondContact OG-CB 3.45Å; S33-V40 WeakPolarHBondContact OG-CG2 3.34Å; G37-V40 VanDerWaalsContact O-CG1 3.32Å; G37-V40 WeakPolarHBondContact O-CG1 3.46Å; T38-V40 PolarHBondContact O-N 3.39Å
41N96.2Very high94.8Very high91 Ų9145.7 Ų45.749%0.48727%0.272SS..G310 helixtrans-95.39.1-176.1-59-52.7000113.4T38 F39 T43T38-N41 PolarHBondContact O-N 3.32Å; T38-N41 VanDerWaalsContact O-N 3.1Å; F39-N41 PolarHBondContact O-N 3.43Å; N41-T43 PolarHBondContact O-N 3.06Å
42I96.7Very high94.5Very high13 Ų1344.9 Ų44.97%0.06728%0.276CS..  trans-62.8128.6179.8-72.5169.3000109.9V22 V30 F39 E46 I47 L111V22-I42 HydrophobicContact CG2-CD1 4.39Å; V30-I42 HydrophobicContact CG2-CB 4.06Å; F39-I42 HydrophobicContact CB-CD1 3.85Å; F39-I42 HydrophobicContact CD1-CD1 3.83Å; F39-I42 HydrophobicContact CG-CD1 4.13Å; F39-I42 WeakPolarHBondContact O-CG1 3.17Å; F39-I42 PolarHBondContact O-N 2.89Å; I42-E46 WeakPolarHBondContact CA-OE2 3.33Å; I42-E46 HydrophobicContact CG2-CB 4.28Å; I42-I47 HydrophobicContact CG2-CD1 4.17Å; I42-I47 HydrophobicContact CG2-CG1 3.69Å; I42-L111 HydrophobicContact CD1-CD2 3.54Å
43T96.1Very high93.8Very high55 Ų5553.8 Ų53.834%0.33731%0.313SS..  trans-93.3165.9-179.383.80000112.3N41 E45 E46 I47N41-T43 PolarHBondContact O-N 3.06Å; T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 WeakPolarHBondContact CB-OE2 3.3Å; T43-E45 PolarHBondContact O-N 3.14Å; T43-E45 PolarHBondContact OG1-N 3.15Å; T43-E45 PolarHBondContact OG1-OE2 2.84Å; T43-E46 PolarHBondContact N-OE2 3.16Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-E46 PolarHBondContact OG1-N 3.11Å; T43-I47 VanDerWaalsContact O-CG1 3.32Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 2.84Å
44V95.8Very high93.2Very high63 Ų6357.9 Ų57.938%0.38233%0.333SS..Hα-helixtrans-60.4-40.1175.2167.30000111.3K28 E46 I47 D48K28-V44 HydrophobicContact CD-CG1 3.64Å; K28-V44 HydrophobicContact CG-CG1 4.4Å; K28-V44 WeakPolarHBondContact O-CG2 3.45Å; V44-E46 PolarHBondContact O-N 3.19Å; V44-I47 WeakPolarHBondContact O-CB 3.33Å; V44-I47 PolarHBondContact O-N 2.87Å; V44-D48 PolarHBondContact O-N 3.26Å
45E93.7Very high92.6Very high121 Ų12156.1 Ų56.157%0.56532%0.324SS*.Hα-helixtrans-64.2-41.3178.3-5874.2-161.400111.2T43 I47 D48 I49T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 WeakPolarHBondContact CB-OE2 3.3Å; T43-E45 PolarHBondContact O-N 3.14Å; T43-E45 PolarHBondContact OG1-N 3.15Å; T43-E45 PolarHBondContact OG1-OE2 2.84Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.22Å; E45-D48 PolarHBondContact O-N 3.28Å; E45-I49 VanDerWaalsContact O-CG1 3.24Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 3.22Å
46E94.8Very high91.8Very high9 Ų959.4 Ų59.44%0.04233%0.331CS..Hα-helixtrans-63.7-39.1174.8-68.8-179.3147.900111.4I42 T43 V44 I49 I50 T64 L65 G66 Q67I42-E46 WeakPolarHBondContact CA-OE2 3.33Å; I42-E46 HydrophobicContact CG2-CB 4.28Å; T43-E46 PolarHBondContact N-OE2 3.16Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-E46 PolarHBondContact OG1-N 3.11Å; V44-E46 PolarHBondContact O-N 3.19Å; E46-I49 PolarHBondContact O-N 2.8Å; E46-I50 WeakPolarHBondContact O-CD1 3.44Å; E46-I50 WeakPolarHBondContact O-CG1 3.46Å; E46-I50 PolarHBondContact O-N 2.79Å; E46-T64 WeakPolarHBondContact CG-O 3.3Å; E46-T64 WeakPolarHBondContact OE1-CB 3.39Å; E46-T64 PolarHBondContact OE1-OG1 3.25Å; E46-L65 PolarHBondContact OE1-N 2.64Å; E46-G66 PolarHBondContact OE1-N 3.29Å; E46-G66 PolarHBondContact OE2-N 3.18Å; E46-Q67 PolarHBondContact OE1-N 3.18Å
47I95.8Very high91Very high0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-62.2-45.2174.8-63.4162.5000110.7V22 K28 I42 T43 V44 E45 I49 I50 V51 L109V22-I47 HydrophobicContact CG1-CD1 3.32Å; V22-I47 HydrophobicContact CG1-CG1 3.63Å; K28-I47 HydrophobicContact CD-CB 4.41Å; K28-I47 HydrophobicContact CD-CG2 4.15Å; K28-I47 HydrophobicContact CG-CB 4.21Å; K28-I47 HydrophobicContact CG-CD1 3.97Å; K28-I47 HydrophobicContact CG-CG2 3.82Å; I42-I47 HydrophobicContact CG2-CD1 4.17Å; I42-I47 HydrophobicContact CG2-CG1 3.69Å; T43-I47 VanDerWaalsContact O-CG1 3.32Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 2.84Å; V44-I47 WeakPolarHBondContact O-CB 3.33Å; V44-I47 PolarHBondContact O-N 2.87Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.22Å; I47-I49 VanDerWaalsContact C-N 3.32Å; I47-I49 PolarHBondContact O-N 3.18Å; I47-I50 PolarHBondContact O-N 2.79Å; I47-I50 VanDerWaalsContact O-N 3.16Å; I47-V51 WeakPolarHBondContact O-CG2 3.47Å; I47-V51 PolarHBondContact O-N 2.81Å; I47-L109 HydrophobicContact CG2-CD1 4.36Å
48D93.3Very high90Very high70 Ų7057.8 Ų57.837%0.37431%0.307SS..Hα-helixtrans-62.5-38.4178.7-81.1-34.2000112.8K28 V44 E45 G52K28-D48 WeakPolarHBondContact CE-OD1 3.43Å; K28-D48 VanDerWaalsContact NZ-CG 3.32Å; K28-D48 IonicContact NZ-OD1 3.26Å; K28-D48 PolarHBondContact NZ-OD1 2.82Å; K28-D48 IonicContact NZ-OD2 2.81Å; K28-D48 PolarHBondContact NZ-OD2 2.78Å; V44-D48 PolarHBondContact O-N 3.26Å; E45-D48 PolarHBondContact O-N 3.28Å; D48-G52 VanDerWaalsContact O-CA 3.29Å; D48-G52 WeakPolarHBondContact O-CA 3.25Å; D48-G52 PolarHBondContact O-N 2.7Å
49I91.9Very high88.7Confident73 Ų7361.7 Ų61.737%0.37432%0.32SS..Hα-helixtrans-61.1-52.6171.1-70.9170.7000109.2E45 E46 I47 V51 G52 F58 L63E45-I49 VanDerWaalsContact O-CG1 3.24Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 3.22Å; E46-I49 PolarHBondContact O-N 2.8Å; I47-I49 VanDerWaalsContact C-N 3.32Å; I47-I49 PolarHBondContact O-N 3.18Å; I49-V51 VanDerWaalsContact C-N 3.33Å; I49-V51 PolarHBondContact O-N 2.9Å; I49-G52 PolarHBondContact O-N 2.85Å; I49-G52 VanDerWaalsContact O-N 3.14Å; I49-F58 HydrophobicContact CG2-CD1 4.21Å; I49-F58 HydrophobicContact CG2-CE1 3.45Å; I49-F58 VanDerWaalsContact CG2-CE1 3.45Å; I49-F58 HydrophobicContact CG2-CZ 4.24Å; I49-F58 WeakPolarHBondContact O-CZ 3.24Å; I49-L63 HydrophobicContact CG2-CB 4.12Å
50I92.9Very high87.4Confident1 Ų167.7 Ų67.71%0.00536%0.361CS..Hα-helixtrans-57.4-43.4-177.8-65.8159.8000112.1E46 I47 R55 L65 L77 I102 L109E46-I50 WeakPolarHBondContact O-CD1 3.44Å; E46-I50 WeakPolarHBondContact O-CG1 3.46Å; E46-I50 PolarHBondContact O-N 2.79Å; I47-I50 PolarHBondContact O-N 2.79Å; I47-I50 VanDerWaalsContact O-N 3.16Å; I50-R55 PolarHBondContact O-NH1 2.77Å; I50-L65 HydrophobicContact CD1-CD2 3.39Å; I50-L65 HydrophobicContact CG1-CD2 4.11Å; I50-L77 HydrophobicContact CG2-CD2 3.92Å; I50-L77 WeakPolarHBondContact O-CD2 3.44Å; I50-I102 HydrophobicContact CD1-CD1 4.41Å; I50-I102 HydrophobicContact CG1-CD1 4.47Å; I50-I102 HydrophobicContact CG2-CD1 4.17Å; I50-I102 HydrophobicContact CG2-CG2 4.32Å; I50-L109 HydrophobicContact CB-CD1 4.46Å; I50-L109 HydrophobicContact CG2-CD1 3.91Å
51V93.1Very high86.2Confident26 Ų2667.4 Ų67.416%0.15837%0.371CS..Hα-helixtrans-91.1-1.9-177.9-53.70000113.8Y24 I47 I49 H78 L109Y24-V51 HydrophobicContact CD2-CB 4.29Å; Y24-V51 HydrophobicContact CD2-CG1 3.77Å; Y24-V51 HydrophobicContact CD2-CG2 4.41Å; Y24-V51 HydrophobicContact CE2-CG1 4.48Å; Y24-V51 HydrophobicContact CG-CG1 3.87Å; I47-V51 WeakPolarHBondContact O-CG2 3.47Å; I47-V51 PolarHBondContact O-N 2.81Å; I49-V51 VanDerWaalsContact C-N 3.33Å; I49-V51 PolarHBondContact O-N 2.9Å; V51-H78 PolarHBondContact O-CE1 3.05Å; V51-H78 PolarHBondContact O-NE2 3.11Å; V51-L109 HydrophobicContact CG1-CD1 3.96Å; V51-L109 HydrophobicContact CG1-CD2 4.09Å; V51-L109 HydrophobicContact CG1-CG 4.46Å
52G90.3Very high85.5Confident21 Ų2163.7 Ų63.722%0.21636%0.355CS..  trans-58.8158.6-178.100000113.5D48 I49 R55 H78D48-G52 VanDerWaalsContact O-CA 3.29Å; D48-G52 WeakPolarHBondContact O-CA 3.25Å; D48-G52 PolarHBondContact O-N 2.7Å; I49-G52 PolarHBondContact O-N 2.85Å; I49-G52 VanDerWaalsContact O-N 3.14Å; G52-R55 VanDerWaalsContact O-CD 3.23Å; G52-R55 WeakPolarHBondContact O-CD 3.23Å; G52-R55 PolarHBondContact O-NH1 2.93Å; G52-H78 PolarHBondContact O-NE2 3.25Å; G52-H78 VanDerWaalsContact O-NE2 3.15Å
53K83.7Confident85.2Confident198 Ų19863.7 Ų63.786%0.86136%0.355SS*.SBendtrans-83.8-26.6179.1-63.4-173.9179.81800113.2R55K53-R55 PolarHBondContact O-N 2.99Å; K53-R55 VanDerWaalsContact O-N 3.12Å
54D83.7Confident85.1Confident100 Ų10063.4 Ų63.454%0.53535%0.353SS..  trans-75.599.8174.4-176.2-2.1000108.9E56 A57 F58D54-E56 PolarHBondContact OD1-N 2.85Å; D54-A57 PolarHBondContact OD1-N 3.41Å; D54-A57 WeakPolarHBondContact OD2-CB 3.09Å; D54-F58 WeakPolarHBondContact O-CE2 3.33Å; D54-F58 WeakPolarHBondContact O-CZ 3.43Å
55R83.9Confident85Confident39 Ų3960.5 Ų60.515%0.14734%0.335CS..  trans-95.2-17.4180-47.3-52.6-71.8172.93.8112.4I50 G52 K53 F58 F59 D75I50-R55 PolarHBondContact O-NH1 2.77Å; G52-R55 VanDerWaalsContact O-CD 3.23Å; G52-R55 WeakPolarHBondContact O-CD 3.23Å; G52-R55 PolarHBondContact O-NH1 2.93Å; K53-R55 PolarHBondContact O-N 2.99Å; K53-R55 VanDerWaalsContact O-N 3.12Å; R55-F58 VanDerWaalsContact CZ-CE2 3.41Å; R55-F58 VanDerWaalsContact NH1-CE2 3.31Å; R55-F59 WeakPolarHBondContact O-CD2 3.23Å; R55-F59 WeakPolarHBondContact O-CE2 3.36Å; R55-D75 IonicContact CZ-OD1 3.06Å; R55-D75 IonicContact CZ-OD2 2.7Å; R55-D75 IonicContact NE-OD1 3.53Å; R55-D75 IonicContact NE-OD2 3.17Å; R55-D75 PolarHBondContact NE-OD2 3.33Å; R55-D75 IonicContact NH2-OD1 3.61Å; R55-D75 PolarHBondContact NH2-OD1 3.31Å; R55-D75 IonicContact NH2-OD2 2.64Å; R55-D75 PolarHBondContact NH2-OD2 3.28Å
56E75.6Confident84.9Confident162 Ų16255.1 Ų55.176%0.75731%0.312SS*.SBendtrans-74.9-37-178-67.9-171.9176.100111.3D54 F58 F59D54-E56 PolarHBondContact OD1-N 2.85Å; E56-F58 PolarHBondContact O-N 2.9Å; E56-F58 VanDerWaalsContact O-N 3.13Å; E56-F59 PolarHBondContact O-N 3.47Å; E56-F59 VanDerWaalsContact O-N 3.17Å
57A73.4Confident84.6Confident50 Ų5062.8 Ų62.841%0.41335%0.348SS..Hα-helixtrans-57.6-28.9178.100000113.6D54 F59 C60 G61D54-A57 PolarHBondContact OD1-N 3.41Å; D54-A57 WeakPolarHBondContact OD2-CB 3.09Å; A57-F59 PolarHBondContact O-N 3.19Å; A57-C60 PolarHBondContact O-N 2.96Å; A57-G61 PolarHBondContact O-N 3.08Å
58F71Confident84.4Confident13 Ų1365.7 Ų65.76%0.05736%0.361CS..Hα-helixtrans-69.4-31.4-179.5-55.1-40.7000113.9I49 D54 R55 E56 C60 G62 V72 M85I49-F58 HydrophobicContact CG2-CD1 4.21Å; I49-F58 HydrophobicContact CG2-CE1 3.45Å; I49-F58 VanDerWaalsContact CG2-CE1 3.45Å; I49-F58 HydrophobicContact CG2-CZ 4.24Å; I49-F58 WeakPolarHBondContact O-CZ 3.24Å; D54-F58 WeakPolarHBondContact O-CE2 3.33Å; D54-F58 WeakPolarHBondContact O-CZ 3.43Å; R55-F58 VanDerWaalsContact CZ-CE2 3.41Å; R55-F58 VanDerWaalsContact NH1-CE2 3.31Å; E56-F58 PolarHBondContact O-N 2.9Å; E56-F58 VanDerWaalsContact O-N 3.13Å; F58-C60 VanDerWaalsContact C-N 3.33Å; F58-G62 VanDerWaalsContact O-CA 3.25Å; F58-G62 WeakPolarHBondContact O-CA 3.36Å; F58-G62 PolarHBondContact O-N 3.48Å; F58-V72 HydrophobicContact CB-CB 4.43Å; F58-V72 HydrophobicContact CB-CG2 3.58Å; F58-V72 HydrophobicContact CG-CG2 4.34Å; F58-M85 HydrophobicContact CD2-CE 4.22Å
59F67.4Low84.4Confident124 Ų12467.9 Ų67.954%0.54437%0.367SS..Hα-helixtrans-72.6-31.5-178.7-67.8-76.3000111.5R55 E56 A57 V72 D75R55-F59 WeakPolarHBondContact O-CD2 3.23Å; R55-F59 WeakPolarHBondContact O-CE2 3.36Å; E56-F59 PolarHBondContact O-N 3.47Å; E56-F59 VanDerWaalsContact O-N 3.17Å; A57-F59 PolarHBondContact O-N 3.19Å; F59-V72 HydrophobicContact CE1-CB 4.48Å; F59-V72 HydrophobicContact CE1-CG1 4.12Å; F59-V72 HydrophobicContact CZ-CG1 4.32Å; F59-D75 HydrophobicContact CZ-CB 4.37Å
60C69.8Low84.5Confident126 Ų12664.5 Ų64.585%0.85135%0.35SS*.Hα-helixtrans-88.5-41.1178.8-650000113.1A57 F58A57-C60 PolarHBondContact O-N 2.96Å; F58-C60 VanDerWaalsContact C-N 3.33Å
61G71.6Confident84.5Confident60 Ų6066.3 Ų66.362%0.61936%0.363SS*.Hα-helixtrans-98.8-20.9-173.600000115.2A57A57-G61 PolarHBondContact O-N 3.08Å
62G81.4Confident84.5Confident14 Ų1466 Ų6614%0.14436%0.36CS..  trans67.5-165.6-162.500000112.1F58 C70F58-G62 VanDerWaalsContact O-CA 3.25Å; F58-G62 WeakPolarHBondContact O-CA 3.36Å; F58-G62 PolarHBondContact O-N 3.48Å; G62-C70 VanDerWaalsContact CA-O 3.29Å; G62-C70 WeakPolarHBondContact CA-O 3.25Å
63L90.7Very high84.6Confident13 Ų1369.7 Ų69.77%0.06837%0.374CS..EExtended strand (participates in β ladder)trans-143.1170.2174.165.287.3000110.1I49 L65 C70 V72 M85 I87I49-L63 HydrophobicContact CG2-CB 4.12Å; L63-L65 HydrophobicContact CD1-CD2 3.8Å; L63-L65 HydrophobicContact CD1-CG 3.7Å; L63-C70 HydrophobicContact CD1-CB 4.05Å; L63-C70 HydrophobicContact CG-CB 4.33Å; L63-C70 PolarHBondContact N-O 3.02Å; L63-C70 VanDerWaalsContact N-O 3.14Å; L63-C70 PolarHBondContact O-N 3.43Å; L63-V72 HydrophobicContact CD2-CG2 4.02Å; L63-M85 HydrophobicContact CD2-CE 3.75Å; L63-I87 HydrophobicContact CD1-CD1 4.02Å; L63-I87 HydrophobicContact CD2-CG2 4.45Å
64T93.1Very high85Confident49 Ų4963.7 Ų63.730%0.30135%0.346SS..EExtended strand (participates in β ladder)trans-114.5144.6170.958.60000110.7E46 K68 K69E46-T64 WeakPolarHBondContact CG-O 3.3Å; E46-T64 WeakPolarHBondContact OE1-CB 3.39Å; E46-T64 PolarHBondContact OE1-OG1 3.25Å; T64-K68 CarbonylContact C-O 3.5Å; T64-K68 VanDerWaalsContact CA-O 3.27Å; T64-K68 WeakPolarHBondContact CA-O 3.46Å; T64-K69 HydrophobicContact CG2-CG 4.16Å
65L93.1Very high85.4Confident2 Ų260.7 Ų60.71%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-126.2115.7167.5-65.3-174.7000108.4T38 F39 E46 I50 L63 Q67 K68 I87 V100 I102 L111T38-L65 WeakPolarHBondContact CG2-O 3.31Å; F39-L65 HydrophobicContact CD1-CD1 4.48Å; F39-L65 HydrophobicContact CE1-CB 4.39Å; F39-L65 HydrophobicContact CE1-CD1 3.77Å; E46-L65 PolarHBondContact OE1-N 2.64Å; I50-L65 HydrophobicContact CD1-CD2 3.39Å; I50-L65 HydrophobicContact CG1-CD2 4.11Å; L63-L65 HydrophobicContact CD1-CD2 3.8Å; L63-L65 HydrophobicContact CD1-CG 3.7Å; L65-Q67 PolarHBondContact O-N 2.7Å; L65-K68 PolarHBondContact N-O 2.98Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 3.15Å; L65-I87 HydrophobicContact CD1-CD1 3.43Å; L65-I87 VanDerWaalsContact CD1-CD1 3.43Å; L65-I87 HydrophobicContact CG-CD1 4.08Å; L65-V100 HydrophobicContact CD1-CG1 4.01Å; L65-I102 HydrophobicContact CD1-CD1 4.42Å; L65-L111 HydrophobicContact CD1-CD2 4.06Å; L65-L111 HydrophobicContact CD2-CD2 4.33Å
66G92.1Very high85.9Confident8 Ų860 Ų608%0.08233%0.332CS..THydrogen-bonded Turntrans53.444.3-17800000111.6E46 K68E46-G66 PolarHBondContact OE1-N 3.29Å; E46-G66 PolarHBondContact OE2-N 3.18Å; G66-K68 PolarHBondContact O-N 3.12Å; G66-K68 VanDerWaalsContact O-N 3.14Å
67Q88.8Confident86.8Confident169 Ų16952.3 Ų52.379%0.7930%0.296SS*.THydrogen-bonded Turntrans68.9-3.7-175.6-47.1-179.8-47.900116E46 L65E46-Q67 PolarHBondContact OE1-N 3.18Å; L65-Q67 PolarHBondContact O-N 2.7Å
68K91.5Very high87.7Confident62 Ų6253.9 Ų53.927%0.2729%0.294SS..EExtended strand (participates in β ladder)trans-83.3121.9174.4-166.374.7174.7179.60109.7T38 T64 L65 G66 T89 E95T38-K68 HydrophobicContact CG2-CB 3.9Å; T64-K68 CarbonylContact C-O 3.5Å; T64-K68 VanDerWaalsContact CA-O 3.27Å; T64-K68 WeakPolarHBondContact CA-O 3.46Å; L65-K68 PolarHBondContact N-O 2.98Å; L65-K68 WeakPolarHBondContact O-CB 3.19Å; L65-K68 PolarHBondContact O-N 3.15Å; G66-K68 PolarHBondContact O-N 3.12Å; G66-K68 VanDerWaalsContact O-N 3.14Å; K68-T89 HydrophobicContact CG-CG2 3.96Å; K68-E95 IonicContact NZ-OE1 3.72Å
69K92.9Very high88.7Confident115 Ų11555.3 Ų55.350%0.531%0.309SS..EExtended strand (participates in β ladder)trans-66.7138.4175.1-68.8-177.21791780110.8T64 K90T64-K69 HydrophobicContact CG2-CG 4.16Å; K69-K90 HydrophobicContact CB-CB 4.15Å; K69-K90 HydrophobicContact CB-CD 4.35Å; K69-K90 PolarHBondContact O-N 2.68Å
70C94Very high89.7Confident2 Ų256.5 Ų56.51%0.01432%0.321CS..EExtended strand (participates in β ladder)trans-133.1153179.8-64.60000111.4G62 L63 I87 R88G62-C70 VanDerWaalsContact CA-O 3.29Å; G62-C70 WeakPolarHBondContact CA-O 3.25Å; L63-C70 HydrophobicContact CD1-CB 4.05Å; L63-C70 HydrophobicContact CG-CB 4.33Å; L63-C70 PolarHBondContact N-O 3.02Å; L63-C70 VanDerWaalsContact N-O 3.14Å; L63-C70 PolarHBondContact O-N 3.43Å; C70-I87 HydrophobicContact CB-CB 4.39Å; C70-I87 HydrophobicContact CB-CD1 3.74Å; C70-I87 HydrophobicContact CB-CG1 4.22Å; C70-R88 CarbonylContact C-O 3.59Å; C70-R88 WeakPolarHBondContact CA-O 3.31Å
71S92.6Very high90.6Very high40 Ų4052.6 Ų52.628%0.2830%0.302SS..EExtended strand (participates in β ladder)trans-109.9139166.750.30000110I87 R88S71-I87 CarbonylContact O-C 3.59Å; S71-I87 WeakPolarHBondContact O-CA 3.45Å; S71-I87 WeakPolarHBondContact O-CB 3.36Å; S71-R88 PolarHBondContact N-O 2.83Å; S71-R88 PolarHBondContact O-N 3.23Å; S71-R88 PolarHBondContact OG-O 3.06Å
72V93Very high91.6Very high18 Ų1851.9 Ų51.911%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-77.5131174.1-176.30000109.8F58 F59 L63 D75 M85 I87F58-V72 HydrophobicContact CB-CB 4.43Å; F58-V72 HydrophobicContact CB-CG2 3.58Å; F58-V72 HydrophobicContact CG-CG2 4.34Å; F59-V72 HydrophobicContact CE1-CB 4.48Å; F59-V72 HydrophobicContact CE1-CG1 4.12Å; F59-V72 HydrophobicContact CZ-CG1 4.32Å; L63-V72 HydrophobicContact CD2-CG2 4.02Å; V72-D75 HydrophobicContact CG1-CB 4.19Å; V72-M85 HydrophobicContact CB-CE 4.1Å; V72-M85 HydrophobicContact CG1-CE 3.62Å; V72-M85 HydrophobicContact CG2-CE 3.31Å; V72-I87 HydrophobicContact CB-CG2 4.49Å; V72-I87 HydrophobicContact CG2-CG2 4.13Å
73I93.3Very high92.3Very high100 Ų10053 Ų5351%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-99.1-48174.1-61.6167.8000109.2D86 R88I73-D86 HydrophobicContact CB-CB 4.48Å; I73-D86 WeakPolarHBondContact CB-O 3.42Å; I73-D86 PolarHBondContact N-O 3.02Å; I73-R88 HydrophobicContact CD1-CB 3.8Å; I73-R88 HydrophobicContact CG1-CB 4.39Å
74R92.1Very high92.6Very high71 Ų7152.4 Ų52.427%0.26828%0.28SS..EExtended strand (participates in β ladder)trans-144.5140.2-178.6-175.317965.5100.5-5.2109.6S76 D82 T84 M85 D86 N124R74-S76 PolarHBondContact NH1-OG 3.17Å; R74-D82 IonicContact CZ-OD2 2.7Å; R74-D82 IonicContact NH1-OD1 3.28Å; R74-D82 PolarHBondContact NH1-OD1 3.46Å; R74-D82 IonicContact NH1-OD2 3.28Å; R74-D82 PolarHBondContact NH1-OD2 3Å; R74-T84 PolarHBondContact NH2-OG1 3.03Å; R74-M85 WeakPolarHBondContact O-CA 3.47Å; R74-M85 WeakPolarHBondContact O-CG 3.14Å; R74-D86 HydrophobicContact CB-CB 4.29Å; R74-D86 IonicContact CZ-OD2 2.77Å; R74-D86 VanDerWaalsContact CZ-OD2 3.28Å; R74-D86 PolarHBondContact N-O 2.97Å; R74-D86 VanDerWaalsContact N-O 3.09Å; R74-D86 IonicContact NE-OD2 2.96Å; R74-D86 PolarHBondContact NE-OD2 2.87Å; R74-D86 IonicContact NH2-OD2 2.93Å; R74-D86 PolarHBondContact NH2-OD2 2.91Å; R74-D86 PolarHBondContact O-N 2.61Å; R74-N124 PolarHBondContact NH2-ND2 3.43Å; R74-N124 PolarHBondContact NH2-OD1 2.94Å
75D92.9Very high92.7Very high38 Ų3850 Ų5020%0.20327%0.266CS..EExtended strand (participates in β ladder)trans-129.7112.3177.8-179.618.2000111R55 F59 V72 L77R55-D75 IonicContact CZ-OD1 3.06Å; R55-D75 IonicContact CZ-OD2 2.7Å; R55-D75 IonicContact NE-OD1 3.53Å; R55-D75 IonicContact NE-OD2 3.17Å; R55-D75 PolarHBondContact NE-OD2 3.33Å; R55-D75 IonicContact NH2-OD1 3.61Å; R55-D75 PolarHBondContact NH2-OD1 3.31Å; R55-D75 IonicContact NH2-OD2 2.64Å; R55-D75 PolarHBondContact NH2-OD2 3.28Å; F59-D75 HydrophobicContact CZ-CB 4.37Å; V72-D75 HydrophobicContact CG1-CB 4.19Å; D75-L77 PolarHBondContact OD1-N 3.33Å
76S94.4Very high92.9Very high25 Ų2550.9 Ų50.918%0.17527%0.271CS..  trans-136.425.3174.6-55.20000109.8R74 H78 A79 D82 W83 T84R74-S76 PolarHBondContact NH1-OG 3.17Å; S76-H78 VanDerWaalsContact C-N 3.25Å; S76-H78 PolarHBondContact O-N 2.88Å; S76-A79 WeakPolarHBondContact O-CB 3.3Å; S76-A79 PolarHBondContact O-N 3.19Å; S76-D82 VanDerWaalsContact CB-CG 3.42Å; S76-D82 WeakPolarHBondContact CB-OD2 3.48Å; S76-W83 WeakPolarHBondContact O-CA 3.43Å; S76-W83 PolarHBondContact O-N 3.39Å; S76-T84 CarbonylContact C-O 3.48Å; S76-T84 VanDerWaalsContact CA-O 3.24Å; S76-T84 WeakPolarHBondContact CA-O 3.47Å; S76-T84 WeakPolarHBondContact CB-O 3.34Å; S76-T84 PolarHBondContact N-O 3.12Å; S76-T84 PolarHBondContact O-N 3.45Å
77L93.8Very high93.1Very high0 Ų050.5 Ų50.50%027%0.267CS..THydrogen-bonded Turntrans-63.1-33.5-171-162.874.3000112.4I50 D75 T84 M85 I102 K104I50-L77 HydrophobicContact CG2-CD2 3.92Å; I50-L77 WeakPolarHBondContact O-CD2 3.44Å; D75-L77 PolarHBondContact OD1-N 3.33Å; L77-T84 PolarHBondContact N-O 2.97Å; L77-T84 VanDerWaalsContact N-O 3.08Å; L77-M85 HydrophobicContact CB-CB 4.28Å; L77-M85 HydrophobicContact CD1-CB 3.96Å; L77-I102 HydrophobicContact CD1-CG2 4.15Å; L77-K104 HydrophobicContact CD1-CB 3.7Å; L77-K104 HydrophobicContact CD2-CD 4.42Å; L77-K104 HydrophobicContact CG-CB 3.98Å; L77-K104 HydrophobicContact CG-CD 3.98Å; L77-K104 WeakPolarHBondContact O-CD 3.49Å
78H92.1Very high93.4Very high82 Ų8247.6 Ų47.638%0.3825%0.248SC..THydrogen-bonded Turntrans-103.24.7177.7-56.9-65.8000113.1V51 G52 S76 K104V51-H78 PolarHBondContact O-CE1 3.05Å; V51-H78 PolarHBondContact O-NE2 3.11Å; G52-H78 PolarHBondContact O-NE2 3.25Å; G52-H78 VanDerWaalsContact O-NE2 3.15Å; S76-H78 VanDerWaalsContact C-N 3.25Å; S76-H78 PolarHBondContact O-N 2.88Å; H78-K104 PolarHBondContact CE1-NZ 2.99Å; H78-K104 PolarHBondContact ND1-NZ 2.89Å
79A92.2Very high93.6Very high44 Ų4444.8 Ų44.836%0.36424%0.236SC..SBendtrans-83.1128.6177.100000110.4S76 G81 D82 W83S76-A79 WeakPolarHBondContact O-CB 3.3Å; S76-A79 PolarHBondContact O-N 3.19Å; A79-G81 PolarHBondContact O-N 2.7Å; A79-D82 HydrophobicContact CB-CB 4.4Å; A79-D82 PolarHBondContact O-N 2.88Å; A79-W83 PolarHBondContact O-N 3.47Å; A79-W83 VanDerWaalsContact O-N 3.1Å; A79-W83 PolarHBondContact O-NE1 3.36Å
80D88.9Confident93.6Very high149 Ų14943.4 Ų43.480%0.79723%0.23SC*.THydrogen-bonded Turntrans-67.3130.7178.8-77.6-28.9000112D82 W83D80-D82 VanDerWaalsContact C-N 3.34Å; D80-W83 PolarHBondContact OD1-NE1 3.27Å
81G88.6Confident93.4Very high44 Ų4445.2 Ų45.245%0.45424%0.243SC..THydrogen-bonded Turntrans88.5-7.5-176.700000114.8A79 W83 Y128A79-G81 PolarHBondContact O-N 2.7Å; G81-W83 VanDerWaalsContact N-CE2 3.29Å; G81-Y128 WeakPolarHBondContact O-CE2 3.2Å
82D91.9Very high92.7Very high44 Ų4451.1 Ų51.124%0.23527%0.266CS..THydrogen-bonded Turntrans-116.7-60.9176.9-165.5-37.6000110.9R74 S76 A79 D80 T84 Y128R74-D82 IonicContact CZ-OD2 2.7Å; R74-D82 IonicContact NH1-OD1 3.28Å; R74-D82 PolarHBondContact NH1-OD1 3.46Å; R74-D82 IonicContact NH1-OD2 3.28Å; R74-D82 PolarHBondContact NH1-OD2 3Å; S76-D82 VanDerWaalsContact CB-CG 3.42Å; S76-D82 WeakPolarHBondContact CB-OD2 3.48Å; A79-D82 HydrophobicContact CB-CB 4.4Å; A79-D82 PolarHBondContact O-N 2.88Å; D80-D82 VanDerWaalsContact C-N 3.34Å; D82-T84 VanDerWaalsContact O-CG2 3.3Å; D82-T84 WeakPolarHBondContact O-CG2 3.5Å; D82-T84 PolarHBondContact O-N 3.35Å; D82-T84 WeakPolarHBondContact OD1-CB 3.28Å; D82-T84 PolarHBondContact OD1-N 3.1Å; D82-T84 PolarHBondContact OD1-OG1 3.1Å; D82-Y128 WeakPolarHBondContact O-CD2 3.32Å; D82-Y128 WeakPolarHBondContact O-CE2 3.25Å
83W96.1Very high92.2Very high38 Ų3853.6 Ų53.614%0.14430%0.295CS..  trans5323178.6-44-57.3000115S76 A79 D80 G81 G103 K104 Y128 E132 R135S76-W83 WeakPolarHBondContact O-CA 3.43Å; S76-W83 PolarHBondContact O-N 3.39Å; A79-W83 PolarHBondContact O-N 3.47Å; A79-W83 VanDerWaalsContact O-N 3.1Å; A79-W83 PolarHBondContact O-NE1 3.36Å; D80-W83 PolarHBondContact OD1-NE1 3.27Å; G81-W83 VanDerWaalsContact N-CE2 3.29Å; W83-G103 CarbonylContact O-C 3.54Å; W83-K104 HydrophobicContact CB-CB 4.35Å; W83-K104 PolarHBondContact O-N 3.28Å; W83-Y128 AromaticContact CE3-CE2 3.89Å; W83-Y128 HydrophobicContact CE3-CE2 3.89Å; W83-Y128 HydrophobicContact CZ3-CE2 4.06Å; W83-E132 HydrophobicContact CZ3-CG 4.49Å; W83-R135 VanDerWaalsContact CD2-CZ 3.45Å
84T97.2Very high91.8Very high0 Ų052.3 Ų52.30%031%0.307CS..EExtended strand (participates in β ladder)trans-119.5156.8179.572.50000113.6R74 S76 L77 D82 I102 N124 Y128R74-T84 PolarHBondContact NH2-OG1 3.03Å; S76-T84 CarbonylContact C-O 3.48Å; S76-T84 VanDerWaalsContact CA-O 3.24Å; S76-T84 WeakPolarHBondContact CA-O 3.47Å; S76-T84 WeakPolarHBondContact CB-O 3.34Å; S76-T84 PolarHBondContact N-O 3.12Å; S76-T84 PolarHBondContact O-N 3.45Å; L77-T84 PolarHBondContact N-O 2.97Å; L77-T84 VanDerWaalsContact N-O 3.08Å; D82-T84 VanDerWaalsContact O-CG2 3.3Å; D82-T84 WeakPolarHBondContact O-CG2 3.5Å; D82-T84 PolarHBondContact O-N 3.35Å; D82-T84 WeakPolarHBondContact OD1-CB 3.28Å; D82-T84 PolarHBondContact OD1-N 3.1Å; D82-T84 PolarHBondContact OD1-OG1 3.1Å; T84-I102 CarbonylContact C-O 3.41Å; T84-I102 WeakPolarHBondContact CA-O 3.29Å; T84-N124 VanDerWaalsContact CB-ND2 3.3Å; T84-N124 WeakPolarHBondContact CB-ND2 3.24Å; T84-N124 PolarHBondContact OG1-ND2 3.38Å; T84-Y128 HydrophobicContact CG2-CD2 4.02Å; T84-Y128 HydrophobicContact CG2-CG 4.41Å
85M96.1Very high91.6Very high0 Ų052.4 Ų52.40%031%0.311CS..EExtended strand (participates in β ladder)trans-138.1132.5174.9-177.9-177.6-172.100108.2F58 L63 V72 R74 L77 I87 S101 I102F58-M85 HydrophobicContact CD2-CE 4.22Å; L63-M85 HydrophobicContact CD2-CE 3.75Å; V72-M85 HydrophobicContact CB-CE 4.1Å; V72-M85 HydrophobicContact CG1-CE 3.62Å; V72-M85 HydrophobicContact CG2-CE 3.31Å; R74-M85 WeakPolarHBondContact O-CA 3.47Å; R74-M85 WeakPolarHBondContact O-CG 3.14Å; L77-M85 HydrophobicContact CB-CB 4.28Å; L77-M85 HydrophobicContact CD1-CB 3.96Å; M85-I87 HydrophobicContact CE-CG2 3.95Å; M85-I87 HydrophobicContact CG-CG2 4.04Å; M85-I87 HydrophobicContact SD-CG2 4.36Å; M85-S101 WeakPolarHBondContact O-CA 3.18Å; M85-I102 HydrophobicContact CB-CB 4.35Å; M85-I102 PolarHBondContact N-O 3.16Å; M85-I102 PolarHBondContact O-N 2.95Å
86D96.4Very high91.6Very high20 Ų2052.9 Ų52.911%0.10732%0.316CS..EExtended strand (participates in β ladder)trans-111.5128.7178.4-61.8-49.5000109.3I73 R74 S101 N124I73-D86 HydrophobicContact CB-CB 4.48Å; I73-D86 WeakPolarHBondContact CB-O 3.42Å; I73-D86 PolarHBondContact N-O 3.02Å; R74-D86 HydrophobicContact CB-CB 4.29Å; R74-D86 IonicContact CZ-OD2 2.77Å; R74-D86 VanDerWaalsContact CZ-OD2 3.28Å; R74-D86 PolarHBondContact N-O 2.97Å; R74-D86 VanDerWaalsContact N-O 3.09Å; R74-D86 IonicContact NE-OD2 2.96Å; R74-D86 PolarHBondContact NE-OD2 2.87Å; R74-D86 IonicContact NH2-OD2 2.93Å; R74-D86 PolarHBondContact NH2-OD2 2.91Å; R74-D86 PolarHBondContact O-N 2.61Å; D86-S101 WeakPolarHBondContact OD1-CB 3.21Å; D86-S101 PolarHBondContact OD1-OG 3.03Å; D86-N124 WeakPolarHBondContact OD1-CB 3.32Å; D86-N124 PolarHBondContact OD1-ND2 2.96Å; D86-N124 PolarHBondContact OD2-ND2 3.29Å
87I96Very high91.6Very high0 Ų053.9 Ų53.90%032%0.321CS..EExtended strand (participates in β ladder)trans-133.5165.5179.874.7-179.8000109.5L63 L65 C70 S71 V72 M85 V100 I102L63-I87 HydrophobicContact CD1-CD1 4.02Å; L63-I87 HydrophobicContact CD2-CG2 4.45Å; L65-I87 HydrophobicContact CD1-CD1 3.43Å; L65-I87 VanDerWaalsContact CD1-CD1 3.43Å; L65-I87 HydrophobicContact CG-CD1 4.08Å; C70-I87 HydrophobicContact CB-CB 4.39Å; C70-I87 HydrophobicContact CB-CD1 3.74Å; C70-I87 HydrophobicContact CB-CG1 4.22Å; S71-I87 CarbonylContact O-C 3.59Å; S71-I87 WeakPolarHBondContact O-CA 3.45Å; S71-I87 WeakPolarHBondContact O-CB 3.36Å; V72-I87 HydrophobicContact CB-CG2 4.49Å; V72-I87 HydrophobicContact CG2-CG2 4.13Å; M85-I87 HydrophobicContact CE-CG2 3.95Å; M85-I87 HydrophobicContact CG-CG2 4.04Å; M85-I87 HydrophobicContact SD-CG2 4.36Å; I87-V100 HydrophobicContact CD1-CB 4.1Å; I87-V100 HydrophobicContact CD1-CG1 3.94Å; I87-V100 HydrophobicContact CG1-CB 3.55Å; I87-V100 HydrophobicContact CG1-CG1 3.85Å; I87-V100 HydrophobicContact CG1-CG2 4.46Å; I87-V100 PolarHBondContact N-O 2.73Å; I87-V100 PolarHBondContact O-N 2.87Å; I87-I102 HydrophobicContact CD1-CD1 4.24Å
88R95.5Very high91.7Very high107 Ų10756.3 Ų56.340%0.40433%0.331SS..EExtended strand (participates in β ladder)trans-131.1137.5175-165.1170.3-165.6155.79.2110.4C70 S71 I73 T97 Y98C70-R88 CarbonylContact C-O 3.59Å; C70-R88 WeakPolarHBondContact CA-O 3.31Å; S71-R88 PolarHBondContact N-O 2.83Å; S71-R88 PolarHBondContact O-N 3.23Å; S71-R88 PolarHBondContact OG-O 3.06Å; I73-R88 HydrophobicContact CD1-CB 3.8Å; I73-R88 HydrophobicContact CG1-CB 4.39Å; R88-T97 PolarHBondContact NE-OG1 3.23Å; R88-T97 VanDerWaalsContact NE-OG1 3.11Å; R88-Y98 WeakPolarHBondContact CA-O 3.21Å; R88-Y98 WeakPolarHBondContact CG-O 3.42Å
89T95.2Very high92Very high3 Ų353.5 Ų53.52%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-64.2143.4174.162.80000110K68 T97 Y98 V100 M113K68-T89 HydrophobicContact CG-CG2 3.96Å; T89-T97 VanDerWaalsContact O-CB 3.25Å; T89-T97 WeakPolarHBondContact O-CB 3.34Å; T89-T97 WeakPolarHBondContact O-CG2 3.18Å; T89-T97 WeakPolarHBondContact OG1-CA 3.48Å; T89-Y98 PolarHBondContact N-O 2.83Å; T89-Y98 PolarHBondContact OG1-N 3.09Å; T89-V100 HydrophobicContact CG2-CG2 4.28Å; T89-M113 HydrophobicContact CG2-CE 4.12Å
90K92.7Very high92.3Very high86 Ų8651.4 Ų51.437%0.37430%0.301SS..  trans-92.4143.9173.1-65.7-178.3180175.90108.7K69K69-K90 HydrophobicContact CB-CB 4.15Å; K69-K90 HydrophobicContact CB-CD 4.35Å; K69-K90 PolarHBondContact O-N 2.68Å
91S89.3Confident92.7Very high41 Ų4144.3 Ų44.329%0.28726%0.263SS..  trans-109140.9173.9158.90000109.5G94 E95S91-G94 WeakPolarHBondContact OG-CA 3Å; S91-G94 PolarHBondContact OG-N 2.82Å; S91-E95 WeakPolarHBondContact CA-OE1 3.29Å; S91-E95 VanDerWaalsContact CB-CD 3.47Å; S91-E95 WeakPolarHBondContact CB-O 3.41Å; S91-E95 PolarHBondContact OG-N 2.86Å; S91-E95 PolarHBondContact OG-O 2.91Å; S91-E95 PolarHBondContact OG-OE2 2.91Å
92Q79.4Confident93.1Very high163 Ų16342.2 Ų42.276%0.76224%0.242SC*.SBendtrans-104.6-23177.5-68.4-174.130.200112.4E95Q92-E95 PolarHBondContact N-OE1 2.89Å; Q92-E95 PolarHBondContact N-OE2 3.39Å
93G82.5Confident93.4Very high70 Ų7040.1 Ų40.172%0.72223%0.231SC*.SBendtrans-127.617.5-17200000114.1E95G93-E95 WeakPolarHBondContact CA-OE2 3.43Å; G93-E95 PolarHBondContact N-OE2 3.02Å
94G84.1Confident93.5Very high74 Ų7439.8 Ų39.876%0.76323%0.23SC*.SBendtrans84.88.8-178.300000114S91S91-G94 WeakPolarHBondContact OG-CA 3Å; S91-G94 PolarHBondContact OG-N 2.82Å
95E88.9Confident93.5Very high72 Ų7239.8 Ų39.834%0.33623%0.23SC..  trans-62.6154.1172.671.9-86.6-163.700112.1K68 S91 Q92 G93K68-E95 IonicContact NZ-OE1 3.72Å; S91-E95 WeakPolarHBondContact CA-OE1 3.29Å; S91-E95 VanDerWaalsContact CB-CD 3.47Å; S91-E95 WeakPolarHBondContact CB-O 3.41Å; S91-E95 PolarHBondContact OG-N 2.86Å; S91-E95 PolarHBondContact OG-O 2.91Å; S91-E95 PolarHBondContact OG-OE2 2.91Å; Q92-E95 PolarHBondContact N-OE1 2.89Å; Q92-E95 PolarHBondContact N-OE2 3.39Å; G93-E95 WeakPolarHBondContact CA-OE2 3.43Å; G93-E95 PolarHBondContact N-OE2 3.02Å
96P91.5Very high93.4Very high48 Ų4841.7 Ų41.731%0.31225%0.249SC..  trans-55.3142.3176.6-25.734.4000112.5Y98 E116P96-Y98 HydrophobicContact CB-CE1 3.95Å; P96-E116 HydrophobicContact CB-CG 4.13Å
97T94.7Very high93.3Very high47 Ų4745.4 Ų45.429%0.28827%0.265SS..  trans-105.7147.3174.161.70000110.3R88 T89R88-T97 PolarHBondContact NE-OG1 3.23Å; R88-T97 VanDerWaalsContact NE-OG1 3.11Å; T89-T97 VanDerWaalsContact O-CB 3.25Å; T89-T97 WeakPolarHBondContact O-CB 3.34Å; T89-T97 WeakPolarHBondContact O-CG2 3.18Å; T89-T97 WeakPolarHBondContact OG1-CA 3.48Å
98Y96.8Very high93.4Very high50 Ų5045.4 Ų45.420%0.19627%0.265CS..  trans-123.5139.2-170.8-51.7-62000110R88 T89 P96 M113 E116R88-Y98 WeakPolarHBondContact CA-O 3.21Å; R88-Y98 WeakPolarHBondContact CG-O 3.42Å; T89-Y98 PolarHBondContact N-O 2.83Å; T89-Y98 PolarHBondContact OG1-N 3.09Å; P96-Y98 HydrophobicContact CB-CE1 3.95Å; Y98-M113 HydrophobicContact CD2-SD 3.99Å; Y98-M113 HydrophobicContact CG-CG 4.47Å; Y98-M113 HydrophobicContact CG-SD 4.3Å; Y98-E116 HydrophobicContact CE1-CB 4.04Å
99N97.7Very high93.5Very high23 Ų2340.3 Ų40.312%0.12325%0.245CC..EExtended strand (participates in β ladder)trans-75.5139.8170.3-64.1-46.9000108.7G114 V118 G120 L123N99-G114 PolarHBondContact O-N 3.5Å; N99-V118 PolarHBondContact ND2-O 3.11Å; N99-G120 PolarHBondContact ND2-N 3.23Å; N99-L123 HydrophobicContact CB-CD1 3.68Å; N99-L123 WeakPolarHBondContact O-CD1 3.34Å
100V97.9Very high93.6Very high0 Ų040.2 Ų40.20%025%0.245CC..EExtended strand (participates in β ladder)trans-130.4132.9176.1172.80000107.8F39 L65 I87 T89 I102 V112 M113F39-V100 HydrophobicContact CE1-CG1 4.31Å; F39-V100 HydrophobicContact CZ-CG1 3.81Å; F39-V100 HydrophobicContact CZ-CG2 4.26Å; L65-V100 HydrophobicContact CD1-CG1 4.01Å; I87-V100 HydrophobicContact CD1-CB 4.1Å; I87-V100 HydrophobicContact CD1-CG1 3.94Å; I87-V100 HydrophobicContact CG1-CB 3.55Å; I87-V100 HydrophobicContact CG1-CG1 3.85Å; I87-V100 HydrophobicContact CG1-CG2 4.46Å; I87-V100 PolarHBondContact N-O 2.73Å; I87-V100 PolarHBondContact O-N 2.87Å; T89-V100 HydrophobicContact CG2-CG2 4.28Å; V100-I102 HydrophobicContact CG1-CG1 4.38Å; V100-V112 VanDerWaalsContact CA-O 3.25Å; V100-V112 WeakPolarHBondContact CA-O 3.48Å; V100-M113 HydrophobicContact CG2-CB 3.93Å; V100-M113 HydrophobicContact CG2-CE 3.78Å; V100-M113 HydrophobicContact CG2-CG 3.69Å; V100-M113 HydrophobicContact CG2-SD 4.43Å
101S98.1Very high93.9Very high1 Ų136.1 Ų36.11%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-118136.6172.9-63.80000109.6M85 D86 V112 L123 N124M85-S101 WeakPolarHBondContact O-CA 3.18Å; D86-S101 WeakPolarHBondContact OD1-CB 3.21Å; D86-S101 PolarHBondContact OD1-OG 3.03Å; S101-V112 PolarHBondContact N-O 2.79Å; S101-V112 PolarHBondContact O-N 3.42Å; S101-L123 WeakPolarHBondContact OG-CB 3.21Å; S101-N124 WeakPolarHBondContact OG-CA 3.44Å; S101-N124 PolarHBondContact OG-N 3.2Å; S101-N124 VanDerWaalsContact OG-N 3.11Å
102I98.1Very high94.3Very high0 Ų034.2 Ų34.20%021%0.213CC..EExtended strand (participates in β ladder)trans-116.1126.5178.3-52.6177.4000107.5I50 L65 L77 T84 M85 I87 V100 L109 V110 L111I50-I102 HydrophobicContact CD1-CD1 4.41Å; I50-I102 HydrophobicContact CG1-CD1 4.47Å; I50-I102 HydrophobicContact CG2-CD1 4.17Å; I50-I102 HydrophobicContact CG2-CG2 4.32Å; L65-I102 HydrophobicContact CD1-CD1 4.42Å; L77-I102 HydrophobicContact CD1-CG2 4.15Å; T84-I102 CarbonylContact C-O 3.41Å; T84-I102 WeakPolarHBondContact CA-O 3.29Å; M85-I102 HydrophobicContact CB-CB 4.35Å; M85-I102 PolarHBondContact N-O 3.16Å; M85-I102 PolarHBondContact O-N 2.95Å; I87-I102 HydrophobicContact CD1-CD1 4.24Å; V100-I102 HydrophobicContact CG1-CG1 4.38Å; I102-L109 HydrophobicContact CG2-CB 4.43Å; I102-L109 HydrophobicContact CG2-CD2 4.48Å; I102-V110 CarbonylContact C-O 3.59Å; I102-V110 VanDerWaalsContact CA-O 3.28Å; I102-V110 WeakPolarHBondContact CA-O 3.39Å; I102-L111 HydrophobicContact CG1-CD2 4.39Å; I102-L111 HydrophobicContact CG1-CG 4.25Å; I102-L111 HydrophobicContact CG2-CG 4.37Å
103G98Very high95.2Very high0 Ų026.7 Ų26.70%018%0.179CC..EExtended strand (participates in β ladder)trans-111.4133.6172.300000110.8W83 L109 V110W83-G103 CarbonylContact O-C 3.54Å; G103-L109 CarbonylContact O-C 3.45Å; G103-L109 WeakPolarHBondContact O-CA 3.47Å; G103-V110 PolarHBondContact N-O 3.14Å; G103-V110 PolarHBondContact O-N 2.89Å
104K97.5Very high95.9Very high31 Ų3123.4 Ų23.414%0.13514%0.144CC..EExtended strand (participates in β ladder)trans-102.4112.9-178.3-178.9-177.7175-158.70111.8Y24 L77 H78 W83 L109 R135Y24-K104 HydrophobicContact CE1-CG 4.09Å; Y24-K104 WeakPolarHBondContact OH-CE 3.29Å; L77-K104 HydrophobicContact CD1-CB 3.7Å; L77-K104 HydrophobicContact CD2-CD 4.42Å; L77-K104 HydrophobicContact CG-CB 3.98Å; L77-K104 HydrophobicContact CG-CD 3.98Å; L77-K104 WeakPolarHBondContact O-CD 3.49Å; H78-K104 PolarHBondContact CE1-NZ 2.99Å; H78-K104 PolarHBondContact ND1-NZ 2.89Å; W83-K104 HydrophobicContact CB-CB 4.35Å; W83-K104 PolarHBondContact O-N 3.28Å; K104-L109 HydrophobicContact CB-CD2 3.98Å; K104-L109 HydrophobicContact CG-CD2 3.95Å; K104-R135 PolarHBondContact O-NE 3.17Å
105A96.3Very high96.5Very high0 Ų024.7 Ų24.70%013%0.129CC..  trans-86.2-170.3168.300000111.8Y24 A108 L134 R135 Y139Y24-A105 WeakPolarHBondContact CE1-O 3.49Å; Y24-A105 PolarHBondContact OH-O 2.62Å; A105-A108 WeakPolarHBondContact CA-O 3.39Å; A105-A108 HydrophobicContact CB-CB 4.32Å; A105-A108 VanDerWaalsContact CB-O 3.32Å; A105-A108 WeakPolarHBondContact CB-O 3.39Å; A105-A108 PolarHBondContact N-O 3.44Å; A105-L134 HydrophobicContact CB-CB 3.73Å; A105-L134 HydrophobicContact CB-CD1 4.47Å; A105-R135 HydrophobicContact CB-CG 4.03Å; A105-Y139 WeakPolarHBondContact CB-OXT 3.38Å
106G94.6Very high96.8Very high39 Ų3927.8 Ų27.840%0.40214%0.143SC..SBendtrans-70.3-30.6-179.600000113.8Y24 Y139Y24-G106 PolarHBondContact OH-O 2.75Å; G106-Y139 VanDerWaalsContact CA-O 3.32Å; G106-Y139 WeakPolarHBondContact CA-O 3.21Å; G106-Y139 PolarHBondContact N-O 3.07Å; G106-Y139 PolarHBondContact N-OXT 3.26Å
107K95.3Very high96.8Very high99 Ų9929.3 Ų29.343%0.4317%0.168SC..SBendtrans-137-18.3-176.4-59.1-177.4-179.5179.70113G23 Y24 T25 W31 Y139G23-K107 WeakPolarHBondContact CA-O 3.47Å; Y24-K107 VanDerWaalsContact CD1-O 3.25Å; Y24-K107 WeakPolarHBondContact CD1-O 3.18Å; Y24-K107 PolarHBondContact N-O 3.17Å; T25-K107 HydrophobicContact CG2-CB 4.44Å; T25-K107 HydrophobicContact CG2-CG 4.49Å; W31-K107 HydrophobicContact CH2-CB 4.24Å; K107-Y139 VanDerWaalsContact CA-OXT 3.29Å; K107-Y139 WeakPolarHBondContact CA-OXT 3.42Å; K107-Y139 WeakPolarHBondContact CB-OXT 3.43Å; K107-Y139 PolarHBondContact N-OXT 2.88Å
108A97Very high96.9Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-115.7155.8-179.800000114.1I21 V22 Y24 W31 A105 L134 Y139I21-A108 HydrophobicContact CG2-CB 4.07Å; V22-A108 CarbonylContact O-C 3.46Å; V22-A108 WeakPolarHBondContact O-CA 3.5Å; Y24-A108 WeakPolarHBondContact CE1-O 3.47Å; W31-A108 HydrophobicContact CE3-CB 4.29Å; W31-A108 HydrophobicContact CH2-CB 4.14Å; W31-A108 HydrophobicContact CZ3-CB 3.69Å; A105-A108 WeakPolarHBondContact CA-O 3.39Å; A105-A108 HydrophobicContact CB-CB 4.32Å; A105-A108 VanDerWaalsContact CB-O 3.32Å; A105-A108 WeakPolarHBondContact CB-O 3.39Å; A105-A108 PolarHBondContact N-O 3.44Å; A108-L134 HydrophobicContact CB-CD1 4.24Å; A108-Y139 PolarHBondContact N-OXT 3.36Å
109L98Very high96.9Very high0 Ų032.6 Ų32.60%018%0.183CC..EExtended strand (participates in β ladder)trans-109.3136.5164.5-58.1175.7000108.1I21 V22 Y24 I47 I50 V51 I102 G103 K104 L111I21-L109 WeakPolarHBondContact CA-O 3.44Å; V22-L109 HydrophobicContact CB-CB 4.34Å; V22-L109 PolarHBondContact N-O 2.81Å; V22-L109 PolarHBondContact O-N 3.25Å; Y24-L109 HydrophobicContact CD1-CD2 3.85Å; Y24-L109 HydrophobicContact CD1-CG 3.81Å; Y24-L109 HydrophobicContact CE1-CD2 4.24Å; Y24-L109 HydrophobicContact CG-CD2 4.36Å; Y24-L109 HydrophobicContact CG-CG 4.23Å; I47-L109 HydrophobicContact CG2-CD1 4.36Å; I50-L109 HydrophobicContact CB-CD1 4.46Å; I50-L109 HydrophobicContact CG2-CD1 3.91Å; V51-L109 HydrophobicContact CG1-CD1 3.96Å; V51-L109 HydrophobicContact CG1-CD2 4.09Å; V51-L109 HydrophobicContact CG1-CG 4.46Å; I102-L109 HydrophobicContact CG2-CB 4.43Å; I102-L109 HydrophobicContact CG2-CD2 4.48Å; G103-L109 CarbonylContact O-C 3.45Å; G103-L109 WeakPolarHBondContact O-CA 3.47Å; K104-L109 HydrophobicContact CB-CD2 3.98Å; K104-L109 HydrophobicContact CG-CD2 3.95Å; L109-L111 HydrophobicContact CB-CD1 3.85Å
110V98.1Very high96.8Very high0 Ų032.2 Ų32.20%019%0.185CC..EExtended strand (participates in β ladder)trans-104.9118.1173.1-177.30000107.7L10 I21 I102 G103 M130 A131 L134L10-V110 HydrophobicContact CD1-CG1 3.69Å; L10-V110 HydrophobicContact CD2-CG1 4.33Å; I21-V110 HydrophobicContact CD1-CB 4.46Å; I21-V110 HydrophobicContact CD1-CG1 4.23Å; I21-V110 HydrophobicContact CD1-CG2 4.04Å; I102-V110 CarbonylContact C-O 3.59Å; I102-V110 VanDerWaalsContact CA-O 3.28Å; I102-V110 WeakPolarHBondContact CA-O 3.39Å; G103-V110 PolarHBondContact N-O 3.14Å; G103-V110 PolarHBondContact O-N 2.89Å; V110-M130 HydrophobicContact CB-CG 4.48Å; V110-M130 HydrophobicContact CG1-CB 4.01Å; V110-M130 HydrophobicContact CG1-CG 3.88Å; V110-M130 HydrophobicContact CG2-CB 4.21Å; V110-M130 HydrophobicContact CG2-CG 3.78Å; V110-A131 HydrophobicContact CG2-CB 4.23Å; V110-L134 HydrophobicContact CG2-CD1 3.69Å
111L98.3Very high96.7Very high1 Ų134.2 Ų34.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-112.8134.9178.4-64.186.6000109.6S19 A20 V22 F39 I42 L65 I102 L109S19-L111 CarbonylContact C-O 3.54Å; S19-L111 WeakPolarHBondContact CA-O 3.34Å; S19-L111 WeakPolarHBondContact CB-O 3.33Å; A20-L111 PolarHBondContact N-O 2.9Å; A20-L111 PolarHBondContact O-N 2.95Å; V22-L111 HydrophobicContact CB-CD1 4.07Å; V22-L111 HydrophobicContact CG2-CD1 3.62Å; F39-L111 HydrophobicContact CD1-CD2 4.17Å; F39-L111 HydrophobicContact CD2-CB 3.93Å; F39-L111 HydrophobicContact CE1-CB 4.47Å; F39-L111 HydrophobicContact CE1-CD2 4.15Å; F39-L111 HydrophobicContact CE2-CB 3.73Å; F39-L111 HydrophobicContact CG-CB 4.39Å; F39-L111 HydrophobicContact CZ-CB 4.01Å; F39-L111 HydrophobicContact CZ-CD2 4.45Å; I42-L111 HydrophobicContact CD1-CD2 3.54Å; L65-L111 HydrophobicContact CD1-CD2 4.06Å; L65-L111 HydrophobicContact CD2-CD2 4.33Å; I102-L111 HydrophobicContact CG1-CD2 4.39Å; I102-L111 HydrophobicContact CG1-CG 4.25Å; I102-L111 HydrophobicContact CG2-CG 4.37Å; L109-L111 HydrophobicContact CB-CD1 3.85Å
112V98.1Very high96.6Very high0 Ų038.7 Ų38.70%023%0.226CC..EExtended strand (participates in β ladder)trans-135.9131.4173.5-68.20000110L10 V100 S101 L123 K126 A127L10-V112 HydrophobicContact CB-CG1 4.2Å; L10-V112 HydrophobicContact CD1-CG1 4.1Å; L10-V112 HydrophobicContact CD2-CG1 3.98Å; L10-V112 HydrophobicContact CG-CG1 4.32Å; V100-V112 VanDerWaalsContact CA-O 3.25Å; V100-V112 WeakPolarHBondContact CA-O 3.48Å; S101-V112 PolarHBondContact N-O 2.79Å; S101-V112 PolarHBondContact O-N 3.42Å; V112-L123 HydrophobicContact CG2-CB 4.04Å; V112-L123 HydrophobicContact CG2-CD2 4.45Å; V112-K126 HydrophobicContact CG1-CD 4.1Å; V112-A127 HydrophobicContact CG2-CB 4Å
113M98.1Very high96.5Very high6 Ų638.7 Ų38.73%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-111.9122.9173.1-172.9178-58.700108.9C16 Q17 D18 F39 T89 Y98 V100C16-M113 CarbonylContact C-O 3.51Å; C16-M113 WeakPolarHBondContact CA-O 3.47Å; C16-M113 WeakPolarHBondContact CB-O 3.42Å; Q17-M113 HydrophobicContact CG-CB 4.18Å; Q17-M113 HydrophobicContact CG-CG 3.87Å; Q17-M113 HydrophobicContact CG-SD 3.98Å; Q17-M113 PolarHBondContact N-O 3.46Å; D18-M113 HydrophobicContact CB-CB 3.93Å; D18-M113 PolarHBondContact N-O 3.16Å; D18-M113 PolarHBondContact O-N 2.88Å; F39-M113 HydrophobicContact CE1-CE 3.79Å; F39-M113 HydrophobicContact CE2-CB 3.94Å; F39-M113 HydrophobicContact CZ-CB 3.77Å; F39-M113 HydrophobicContact CZ-CE 3.85Å; T89-M113 HydrophobicContact CG2-CE 4.12Å; Y98-M113 HydrophobicContact CD2-SD 3.99Å; Y98-M113 HydrophobicContact CG-CG 4.47Å; Y98-M113 HydrophobicContact CG-SD 4.3Å; V100-M113 HydrophobicContact CG2-CB 3.93Å; V100-M113 HydrophobicContact CG2-CE 3.78Å; V100-M113 HydrophobicContact CG2-CG 3.69Å; V100-M113 HydrophobicContact CG2-SD 4.43Å
114G97.5Very high96.5Very high0 Ų039.9 Ų39.90%023%0.232CC..EExtended strand (participates in β ladder)trans-75.5153177.300000112.2S15 Q17 N99 L123S15-G114 WeakPolarHBondContact O-CA 3.38Å; Q17-G114 PolarHBondContact NE2-O 2.85Å; N99-G114 PolarHBondContact O-N 3.5Å; G114-L123 VanDerWaalsContact N-CD1 3.35Å
115K96.5Very high96.5Very high101 Ų10145.5 Ų45.544%0.43926%0.257SS..PPolyproline II helixtrans-62169.5166.1-71.6177.8-176.31680111.5G14 S15 C16 Q17 G117 V118G14-K115 VanDerWaalsContact O-CD 3.29Å; G14-K115 WeakPolarHBondContact O-CD 3.36Å; G14-K115 WeakPolarHBondContact O-CE 3.42Å; G14-K115 PolarHBondContact O-NZ 2.73Å; S15-K115 PolarHBondContact O-N 3.09Å; C16-K115 WeakPolarHBondContact O-CE 3.47Å; Q17-K115 HydrophobicContact CB-CG 3.88Å; K115-G117 PolarHBondContact O-N 3.34Å; K115-V118 HydrophobicContact CB-CG2 3.96Å; K115-V118 WeakPolarHBondContact O-CB 3.46Å; K115-V118 WeakPolarHBondContact O-CG2 3.39Å; K115-V118 PolarHBondContact O-N 2.85Å; K115-V118 VanDerWaalsContact O-N 3.09Å
116E94.5Very high96.5Very high137 Ų13747.2 Ų47.264%0.6426%0.264SS*.THydrogen-bonded Turntrans-52.5132.3173.5-166.5172.3175.500111.2P96 Y98 V118P96-E116 HydrophobicContact CB-CG 4.13Å; Y98-E116 HydrophobicContact CE1-CB 4.04Å; E116-V118 VanDerWaalsContact C-N 3.27Å; E116-V118 PolarHBondContact O-N 2.97Å
117G92.7Very high96.7Very high81 Ų8145.3 Ų45.384%0.83525%0.245SC*.THydrogen-bonded Turntrans80-7.9-179.400000116K115 H119K115-G117 PolarHBondContact O-N 3.34Å; G117-H119 PolarHBondContact O-N 2.84Å
118V96.9Very high96.8Very high24 Ų2443.7 Ų43.715%0.14524%0.236CC..  trans-72.5128.2179.5177.20000111S15 N99 K115 E116 L123S15-V118 WeakPolarHBondContact O-CG2 3.37Å; N99-V118 PolarHBondContact ND2-O 3.11Å; K115-V118 HydrophobicContact CB-CG2 3.96Å; K115-V118 WeakPolarHBondContact O-CB 3.46Å; K115-V118 WeakPolarHBondContact O-CG2 3.39Å; K115-V118 PolarHBondContact O-N 2.85Å; K115-V118 VanDerWaalsContact O-N 3.09Å; E116-V118 VanDerWaalsContact C-N 3.27Å; E116-V118 PolarHBondContact O-N 2.97Å; V118-L123 HydrophobicContact CG1-CD1 4.47Å; V118-L123 HydrophobicContact CG1-CD2 3.99Å; V118-L123 HydrophobicContact CG1-CG 4.08Å
119H95.5Very high96.8Very high142 Ų14247.1 Ų47.166%0.65726%0.258SS*.  trans-74.2137.6-175.4-168.568.2000112.3G117 G121 Q122G117-H119 PolarHBondContact O-N 2.84Å; H119-G121 VanDerWaalsContact C-N 3.31Å; H119-G121 PolarHBondContact CD2-N 3.28Å; H119-G121 PolarHBondContact O-N 2.93Å; H119-Q122 PolarHBondContact O-N 2.87Å; H119-Q122 VanDerWaalsContact O-N 3.16Å
120G95.2Very high96.7Very high15 Ų1548 Ų4816%0.15526%0.262CS..Hα-helixtrans-58.3-37-177.300000113.9N99 Q122 L123 N124N99-G120 PolarHBondContact ND2-N 3.23Å; G120-Q122 VanDerWaalsContact C-N 3.27Å; G120-Q122 PolarHBondContact O-N 3.41Å; G120-L123 PolarHBondContact O-N 3.48Å; G120-L123 VanDerWaalsContact O-N 3.12Å; G120-N124 WeakPolarHBondContact O-CB 3.45Å; G120-N124 PolarHBondContact O-N 3.29Å
121G95.8Very high96.7Very high41 Ų4148 Ų4842%0.42326%0.262SS..Hα-helixtrans-60.1-32.7178.400000114.3H119 K125H119-G121 VanDerWaalsContact C-N 3.31Å; H119-G121 PolarHBondContact CD2-N 3.28Å; H119-G121 PolarHBondContact O-N 2.93Å; G121-K125 PolarHBondContact O-N 3.5Å; G121-K125 VanDerWaalsContact O-N 3.15Å
122Q96.1Very high96.6Very high96 Ų9650.7 Ų50.745%0.44927%0.274SS..Hα-helixtrans-67.7-45.3175.1178.6-179.3-5.300111.1H119 G120 N124 K126H119-Q122 PolarHBondContact O-N 2.87Å; H119-Q122 VanDerWaalsContact O-N 3.16Å; G120-Q122 VanDerWaalsContact C-N 3.27Å; G120-Q122 PolarHBondContact O-N 3.41Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; Q122-K126 PolarHBondContact O-N 3.07Å
123L97.3Very high96.6Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-65.2-40.3178.2-60.1175.5000111.2N99 S101 V112 G114 V118 G120 K126 A127N99-L123 HydrophobicContact CB-CD1 3.68Å; N99-L123 WeakPolarHBondContact O-CD1 3.34Å; S101-L123 WeakPolarHBondContact OG-CB 3.21Å; V112-L123 HydrophobicContact CG2-CB 4.04Å; V112-L123 HydrophobicContact CG2-CD2 4.45Å; G114-L123 VanDerWaalsContact N-CD1 3.35Å; V118-L123 HydrophobicContact CG1-CD1 4.47Å; V118-L123 HydrophobicContact CG1-CD2 3.99Å; V118-L123 HydrophobicContact CG1-CG 4.08Å; G120-L123 PolarHBondContact O-N 3.48Å; G120-L123 VanDerWaalsContact O-N 3.12Å; L123-K126 WeakPolarHBondContact O-CB 3.45Å; L123-K126 PolarHBondContact O-N 3.47Å; L123-A127 PolarHBondContact O-N 2.94Å
124N97.8Very high96.5Very high24 Ų2455.2 Ų55.213%0.12829%0.292CS..Hα-helixtrans-61.1-50.3179.8-174-95.2000111.4R74 T84 D86 S101 G120 Q122 K126 A127 Y128R74-N124 PolarHBondContact NH2-ND2 3.43Å; R74-N124 PolarHBondContact NH2-OD1 2.94Å; T84-N124 VanDerWaalsContact CB-ND2 3.3Å; T84-N124 WeakPolarHBondContact CB-ND2 3.24Å; T84-N124 PolarHBondContact OG1-ND2 3.38Å; D86-N124 WeakPolarHBondContact OD1-CB 3.32Å; D86-N124 PolarHBondContact OD1-ND2 2.96Å; D86-N124 PolarHBondContact OD2-ND2 3.29Å; S101-N124 WeakPolarHBondContact OG-CA 3.44Å; S101-N124 PolarHBondContact OG-N 3.2Å; S101-N124 VanDerWaalsContact OG-N 3.11Å; G120-N124 WeakPolarHBondContact O-CB 3.45Å; G120-N124 PolarHBondContact O-N 3.29Å; Q122-N124 VanDerWaalsContact C-N 3.33Å; N124-K126 PolarHBondContact O-N 3.46Å; N124-A127 PolarHBondContact O-N 3.13Å; N124-Y128 WeakPolarHBondContact O-CB 3.41Å; N124-Y128 PolarHBondContact O-N 2.94Å
125K97Very high96.3Very high150 Ų15059.1 Ų59.165%0.65231%0.307SS*.Hα-helixtrans-56.8-39.5175.9-176.7175.6-180178.80111.9G121 T129G121-K125 PolarHBondContact O-N 3.5Å; G121-K125 VanDerWaalsContact O-N 3.15Å; K125-T129 WeakPolarHBondContact O-CB 3.49Å; K125-T129 PolarHBondContact O-N 3.32Å; K125-T129 PolarHBondContact O-OG1 3.07Å
126K96.8Very high96.3Very high35 Ų3561.4 Ų61.415%0.15232%0.317CS..Hα-helixtrans-65.6-49.7177.8-177.3-172.8-74.3-94.80111.5L10 D13 V112 Q122 L123 N124 T129 M130L10-K126 HydrophobicContact CD2-CD 4Å; L10-K126 HydrophobicContact CD2-CG 3.7Å; L10-K126 PolarHBondContact O-NZ 3.17Å; D13-K126 IonicContact OD1-NZ 2.7Å; D13-K126 PolarHBondContact OD1-NZ 3.05Å; D13-K126 VanDerWaalsContact OD2-CE 3.23Å; D13-K126 WeakPolarHBondContact OD2-CE 3.4Å; D13-K126 IonicContact OD2-NZ 2.62Å; D13-K126 PolarHBondContact OD2-NZ 3.46Å; V112-K126 HydrophobicContact CG1-CD 4.1Å; Q122-K126 PolarHBondContact O-N 3.07Å; L123-K126 WeakPolarHBondContact O-CB 3.45Å; L123-K126 PolarHBondContact O-N 3.47Å; N124-K126 PolarHBondContact O-N 3.46Å; K126-T129 PolarHBondContact O-N 3.38Å; K126-M130 PolarHBondContact O-N 3.35Å; K126-M130 VanDerWaalsContact O-N 3.16Å
127A97.5Very high96.2Very high0 Ų057.4 Ų57.40%030%0.304CS..Hα-helixtrans-60.7-45.4177.400000111.7V112 L123 N124 M130 A131V112-A127 HydrophobicContact CG2-CB 4Å; L123-A127 PolarHBondContact O-N 2.94Å; N124-A127 PolarHBondContact O-N 3.13Å; A127-M130 PolarHBondContact O-N 2.88Å; A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.35Å; A127-A131 PolarHBondContact O-N 2.86Å
128Y97.8Very high96.2Very high64 Ų6456 Ų5625%0.25129%0.29SS..Hα-helixtrans-56.4-53.6176175.6-96.9000111.8G81 D82 W83 T84 N124 M130 A131 E132G81-Y128 WeakPolarHBondContact O-CE2 3.2Å; D82-Y128 WeakPolarHBondContact O-CD2 3.32Å; D82-Y128 WeakPolarHBondContact O-CE2 3.25Å; W83-Y128 AromaticContact CE3-CE2 3.89Å; W83-Y128 HydrophobicContact CE3-CE2 3.89Å; W83-Y128 HydrophobicContact CZ3-CE2 4.06Å; T84-Y128 HydrophobicContact CG2-CD2 4.02Å; T84-Y128 HydrophobicContact CG2-CG 4.41Å; N124-Y128 WeakPolarHBondContact O-CB 3.41Å; N124-Y128 PolarHBondContact O-N 2.94Å; Y128-M130 VanDerWaalsContact C-N 3.29Å; Y128-M130 PolarHBondContact O-N 2.68Å; Y128-A131 PolarHBondContact O-N 2.93Å; Y128-E132 HydrophobicContact CE1-CB 4.46Å; Y128-E132 WeakPolarHBondContact O-CB 3.33Å; Y128-E132 PolarHBondContact O-N 3.33Å
129T97.1Very high95.8Very high73 Ų7359.7 Ų59.745%0.44830%0.302SS..Hα-helixtrans-60.5-41.7-175.4-55.30000111.2K125 K126 Y133K125-T129 WeakPolarHBondContact O-CB 3.49Å; K125-T129 PolarHBondContact O-N 3.32Å; K125-T129 PolarHBondContact O-OG1 3.07Å; K126-T129 PolarHBondContact O-N 3.38Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.93Å
130M97.1Very high95.8Very high18 Ų1855.6 Ų55.69%0.08928%0.284CS..Hα-helixtrans-69.5-43177.1-175.660.270.900112Y6 L10 V110 K126 A127 Y128 E132 Y133 L134Y6-M130 HydrophobicContact CD1-CE 4.08Å; Y6-M130 HydrophobicContact CD1-SD 3.72Å; Y6-M130 HydrophobicContact CE1-SD 4.37Å; Y6-M130 HydrophobicContact CG-SD 4.45Å; L10-M130 HydrophobicContact CD1-CG 4.48Å; L10-M130 HydrophobicContact CD2-CB 4.05Å; L10-M130 HydrophobicContact CD2-CE 4.02Å; L10-M130 HydrophobicContact CD2-CG 4.2Å; L10-M130 HydrophobicContact CG-CE 4.16Å; V110-M130 HydrophobicContact CB-CG 4.48Å; V110-M130 HydrophobicContact CG1-CB 4.01Å; V110-M130 HydrophobicContact CG1-CG 3.88Å; V110-M130 HydrophobicContact CG2-CB 4.21Å; V110-M130 HydrophobicContact CG2-CG 3.78Å; K126-M130 PolarHBondContact O-N 3.35Å; K126-M130 VanDerWaalsContact O-N 3.16Å; A127-M130 PolarHBondContact O-N 2.88Å; Y128-M130 VanDerWaalsContact C-N 3.29Å; Y128-M130 PolarHBondContact O-N 2.68Å; M130-E132 VanDerWaalsContact C-N 3.33Å; M130-E132 PolarHBondContact O-N 3.1Å; M130-Y133 PolarHBondContact O-N 3.23Å; M130-Y133 HydrophobicContact SD-CD1 4.29Å; M130-L134 HydrophobicContact CG-CD1 4.45Å; M130-L134 WeakPolarHBondContact O-CG 3.34Å; M130-L134 PolarHBondContact O-N 3.17Å
131A97.1Very high95.8Very high1 Ų157.7 Ų57.71%0.00829%0.291CS..Hα-helixtrans-63-40.117700000111.9V110 A127 Y128 L134 R135V110-A131 HydrophobicContact CG2-CB 4.23Å; A127-A131 VanDerWaalsContact O-CB 3.3Å; A127-A131 WeakPolarHBondContact O-CB 3.35Å; A127-A131 PolarHBondContact O-N 2.86Å; Y128-A131 PolarHBondContact O-N 2.93Å; A131-L134 PolarHBondContact O-N 3.22Å; A131-R135 WeakPolarHBondContact O-CG 3.21Å; A131-R135 PolarHBondContact O-N 3.28Å
132E97Very high95.8Very high56 Ų5658.7 Ų58.726%0.26228%0.283SS..Hα-helixtrans-63-43.3175.3-163.6-156.5-155.500111.5W83 Y128 M130 R135 K136W83-E132 HydrophobicContact CZ3-CG 4.49Å; Y128-E132 HydrophobicContact CE1-CB 4.46Å; Y128-E132 WeakPolarHBondContact O-CB 3.33Å; Y128-E132 PolarHBondContact O-N 3.33Å; M130-E132 VanDerWaalsContact C-N 3.33Å; M130-E132 PolarHBondContact O-N 3.1Å; E132-R135 WeakPolarHBondContact O-CB 3.19Å; E132-R135 PolarHBondContact O-N 2.77Å; E132-K136 HydrophobicContact CG-CD 4.44Å; E132-K136 WeakPolarHBondContact O-CG 3.27Å; E132-K136 PolarHBondContact O-N 2.83Å; E132-K136 IonicContact OE1-NZ 3.92Å; E132-K136 PolarHBondContact OE1-NZ 2.77Å; E132-K136 IonicContact OE2-NZ 2.85Å; E132-K136 PolarHBondContact OE2-NZ 2.7Å
133Y96.6Very high95.8Very high102 Ų10256.5 Ų56.540%0.427%0.274SS..Hα-helixtrans-60.7-46.1174.5169.8-91.7000112Y6 T129 M130 R135 K136 S137Y6-Y133 HydrophobicContact CE1-CD1 4.18Å; Y6-Y133 AromaticContact CE1-CE1 3.52Å; Y6-Y133 HydrophobicContact CE1-CE1 3.52Å; Y6-Y133 AromaticContact CZ-CE1 3.92Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.93Å; M130-Y133 PolarHBondContact O-N 3.23Å; M130-Y133 HydrophobicContact SD-CD1 4.29Å; Y133-R135 VanDerWaalsContact C-N 3.34Å; Y133-R135 PolarHBondContact O-N 2.81Å; Y133-K136 PolarHBondContact O-N 2.73Å; Y133-S137 WeakPolarHBondContact O-CB 3.2Å; Y133-S137 PolarHBondContact O-N 3.37Å; Y133-S137 PolarHBondContact O-OG 3.18Å
134L95.8Very high95.7Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-62.4-41.7178.3-70.7178.7000111.4W3 Y6 I21 A105 A108 V110 M130 A131 K136 S137 G138 Y139W3-L134 HydrophobicContact CZ3-CD2 4.01Å; Y6-L134 HydrophobicContact CE1-CD2 4.48Å; Y6-L134 HydrophobicContact CE2-CD2 4.46Å; I21-L134 HydrophobicContact CD1-CD1 4.43Å; A105-L134 HydrophobicContact CB-CB 3.73Å; A105-L134 HydrophobicContact CB-CD1 4.47Å; A108-L134 HydrophobicContact CB-CD1 4.24Å; V110-L134 HydrophobicContact CG2-CD1 3.69Å; M130-L134 HydrophobicContact CG-CD1 4.45Å; M130-L134 WeakPolarHBondContact O-CG 3.34Å; M130-L134 PolarHBondContact O-N 3.17Å; A131-L134 PolarHBondContact O-N 3.22Å; L134-K136 PolarHBondContact O-N 3.28Å; L134-S137 CarbonylContact O-C 3.44Å; L134-S137 WeakPolarHBondContact O-CA 3.29Å; L134-S137 WeakPolarHBondContact O-CB 3.25Å; L134-S137 PolarHBondContact O-N 3.14Å; L134-G138 PolarHBondContact O-N 2.84Å; L134-G138 VanDerWaalsContact O-N 3.15Å; L134-Y139 CarbonylContact C-O 3.03Å; L134-Y139 PolarHBondContact O-N 3.49Å
135R94.6Very high95.6Very high81 Ų8162.4 Ų62.431%0.30630%0.302SS..Hα-helixtrans-56.9-50.5173.2-77.2170.7156.6-113.1-4.8112.3W83 K104 A105 A131 E132 Y133 S137 G138 Y139W83-R135 VanDerWaalsContact CD2-CZ 3.45Å; K104-R135 PolarHBondContact O-NE 3.17Å; A105-R135 HydrophobicContact CB-CG 4.03Å; A131-R135 WeakPolarHBondContact O-CG 3.21Å; A131-R135 PolarHBondContact O-N 3.28Å; E132-R135 WeakPolarHBondContact O-CB 3.19Å; E132-R135 PolarHBondContact O-N 2.77Å; Y133-R135 VanDerWaalsContact C-N 3.34Å; Y133-R135 PolarHBondContact O-N 2.81Å; R135-S137 PolarHBondContact O-N 2.99Å; R135-G138 PolarHBondContact O-N 2.96Å; R135-Y139 WeakPolarHBondContact CA-O 3.17Å; R135-Y139 PolarHBondContact N-O 3.14Å
136K95.4Very high95.5Very high149 Ų14956.1 Ų56.165%0.64828%0.277SS*.Hα-helixtrans-61-26.1177.4-71.8170.2-178.3166.50112E132 Y133 L134E132-K136 HydrophobicContact CG-CD 4.44Å; E132-K136 WeakPolarHBondContact O-CG 3.27Å; E132-K136 PolarHBondContact O-N 2.83Å; E132-K136 IonicContact OE1-NZ 3.92Å; E132-K136 PolarHBondContact OE1-NZ 2.77Å; E132-K136 IonicContact OE2-NZ 2.85Å; E132-K136 PolarHBondContact OE2-NZ 2.7Å; Y133-K136 PolarHBondContact O-N 2.73Å; L134-K136 PolarHBondContact O-N 3.28Å
137S94Very high95.4Very high54 Ų5457.8 Ų57.838%0.37829%0.286SS..THydrogen-bonded Turntrans-88.92177.5-53.20000114.1Y133 L134 R135 Y139Y133-S137 WeakPolarHBondContact O-CB 3.2Å; Y133-S137 PolarHBondContact O-N 3.37Å; Y133-S137 PolarHBondContact O-OG 3.18Å; L134-S137 CarbonylContact O-C 3.44Å; L134-S137 WeakPolarHBondContact O-CA 3.29Å; L134-S137 WeakPolarHBondContact O-CB 3.25Å; L134-S137 PolarHBondContact O-N 3.14Å; R135-S137 PolarHBondContact O-N 2.99Å; S137-Y139 WeakPolarHBondContact O-CD2 3.13Å
138G92.1Very high95.2Very high52 Ų5262.6 Ų62.654%0.53631%0.31SS..THydrogen-bonded Turntrans85.214.9178.900000115.5L134 R135L134-G138 PolarHBondContact O-N 2.84Å; L134-G138 VanDerWaalsContact O-N 3.15Å; R135-G138 PolarHBondContact O-N 2.96Å
139Y88Confident95Very high101 Ų10162.5 Ų62.540%0.39632%0.315SS..  trans-113.60178.1-66.4-81.7000112.9W3 W31 A105 G106 K107 A108 L134 R135 S137W3-Y139 AromaticContact CH2-CD1 3.53Å; W3-Y139 HydrophobicContact CH2-CD1 3.53Å; W3-Y139 HydrophobicContact CH2-CD2 4.31Å; W3-Y139 AromaticContact CH2-CE1 3.7Å; W3-Y139 HydrophobicContact CH2-CE1 3.7Å; W3-Y139 HydrophobicContact CH2-CE2 4.44Å; W3-Y139 AromaticContact CH2-CG 3.85Å; W3-Y139 HydrophobicContact CH2-CG 3.85Å; W3-Y139 AromaticContact CZ2-CD1 3.83Å; W3-Y139 HydrophobicContact CZ2-CD1 3.83Å; W3-Y139 AromaticContact CZ2-CE1 3.6Å; W3-Y139 HydrophobicContact CZ2-CE1 3.6Å; W31-Y139 HydrophobicContact CH2-CD1 4.41Å; W31-Y139 HydrophobicContact CZ3-CD1 4.23Å; A105-Y139 WeakPolarHBondContact CB-OXT 3.38Å; G106-Y139 VanDerWaalsContact CA-O 3.32Å; G106-Y139 WeakPolarHBondContact CA-O 3.21Å; G106-Y139 PolarHBondContact N-O 3.07Å; G106-Y139 PolarHBondContact N-OXT 3.26Å; K107-Y139 VanDerWaalsContact CA-OXT 3.29Å; K107-Y139 WeakPolarHBondContact CA-OXT 3.42Å; K107-Y139 WeakPolarHBondContact CB-OXT 3.43Å; K107-Y139 PolarHBondContact N-OXT 2.88Å; A108-Y139 PolarHBondContact N-OXT 3.36Å; L134-Y139 CarbonylContact C-O 3.03Å; L134-Y139 PolarHBondContact O-N 3.49Å; R135-Y139 WeakPolarHBondContact CA-O 3.17Å; R135-Y139 PolarHBondContact N-O 3.14Å; S137-Y139 WeakPolarHBondContact O-CD2 3.13Å

Retrieved 139 of 139 residues in 565.2 ms (Link to these results)

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