A0A087YHD0_POEFO Loading...

B9 domain-containing protein 1

Component of the tectonic-like complex, a complex localized at the transition zone of primary cilia and acting as a barrier that prevents diffusion of transmembrane proteins between the cilia and plasma membranes. Required for ciliogenesis and sonic hedgehog/SHH signaling.

AlphaFold DB , UniProt , Accession A0A087YHD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low65.1Low241 Ų241102.3 Ų102.3100%1.18758%0.577SS**  096.50-84.5174.4169.600106.9T3M1-T3 PolarHBondContact O-N 3.33Å
2E41.6Very low67.8Low190 Ų19093.8 Ų93.889%0.88853%0.529SS*.  trans-71.3114.2166-81.6177.9146.100107T4E2-T4 VanDerWaalsContact C-N 3.35Å; E2-T4 PolarHBondContact O-N 2.9Å
3T41.6Very low70.1Confident135 Ų13588.6 Ų88.683%0.82850%0.501SS*.  trans-65.498.8167.637.90000107.4M1 S5M1-T3 PolarHBondContact O-N 3.33Å; T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 2.75Å
4T48.3Very low72.1Confident126 Ų12682.3 Ų82.377%0.77347%0.465SS*.  trans-58.192.4167.415.20000107.8E2 N6E2-T4 VanDerWaalsContact C-N 3.35Å; E2-T4 PolarHBondContact O-N 2.9Å; T4-N6 PolarHBondContact O-N 3.36Å
5S52.8Low73.9Confident86 Ų8679.3 Ų79.360%0.60145%0.448SS*.  trans-64.9106.6169.374.60000106.2T3 S7 R180T3-S5 VanDerWaalsContact C-N 3.26Å; T3-S5 PolarHBondContact O-N 2.75Å; S5-S7 PolarHBondContact O-N 3.28Å; S5-R180 PolarHBondContact O-NH1 2.88Å
6N58.8Low75.3Confident139 Ų13975.9 Ų75.974%0.74344%0.435SS*.  trans-61.494.7164.3-78.3-18.7000106.4T4 S8T4-N6 PolarHBondContact O-N 3.36Å; N6-S8 PolarHBondContact O-N 3.17Å; N6-S8 VanDerWaalsContact O-N 3.17Å
7S63.4Low76.7Confident31 Ų3175.5 Ų75.522%0.21743%0.429CS..  trans-61.5123.9169.2-176.30000106.8S5 V9 M181S5-S7 PolarHBondContact O-N 3.28Å; S7-V9 WeakPolarHBondContact CB-O 3.4Å; S7-V9 PolarHBondContact O-N 2.84Å; S7-V9 VanDerWaalsContact OG-CG2 3.31Å; S7-V9 WeakPolarHBondContact OG-CG2 3.37Å; S7-V9 PolarHBondContact OG-N 2.97Å; S7-V9 PolarHBondContact OG-O 3.26Å; S7-M181 VanDerWaalsContact O-SD 3.33Å
8S86.6Confident77.9Confident84 Ų8471.3 Ų71.359%0.58741%0.405SS*.SBendtrans-74-4.2172.651.40000112.8N6 M181N6-S8 PolarHBondContact O-N 3.17Å; N6-S8 VanDerWaalsContact O-N 3.17Å; S8-M181 WeakPolarHBondContact O-CE 3.39Å
9V94.4Very high79Confident45 Ų4569.4 Ų69.427%0.27339%0.392SS..  trans-126.2151.4-178.6-620000111.5S7 S76 T77S7-V9 WeakPolarHBondContact CB-O 3.4Å; S7-V9 PolarHBondContact O-N 2.84Å; S7-V9 VanDerWaalsContact OG-CG2 3.31Å; S7-V9 WeakPolarHBondContact OG-CG2 3.37Å; S7-V9 PolarHBondContact OG-N 2.97Å; S7-V9 PolarHBondContact OG-O 3.26Å; V9-S76 VanDerWaalsContact CA-O 3.3Å; V9-S76 WeakPolarHBondContact CA-O 3.24Å; V9-T77 HydrophobicContact CG1-CG2 3.85Å
10F95.3Very high79.9Confident0 Ų066 Ų660%037%0.373CS..EExtended strand (participates in β ladder)trans-116.4159.5166.364.9-97.4000110.2W41 K75 S76 K176 D177 M178 M181 Y183F10-W41 AromaticContact CE2-CH2 3.62Å; F10-W41 HydrophobicContact CE2-CH2 3.62Å; F10-W41 HydrophobicContact CE2-CZ2 4.27Å; F10-W41 HydrophobicContact CE2-CZ3 4.06Å; F10-W41 HydrophobicContact CZ-CH2 4.01Å; F10-W41 HydrophobicContact CZ-CZ2 4.2Å; F10-K75 WeakPolarHBondContact O-CA 3.31Å; F10-S76 WeakPolarHBondContact CD1-O 2.99Å; F10-S76 PolarHBondContact N-O 2.82Å; F10-S76 PolarHBondContact O-N 2.93Å; F10-K176 WeakPolarHBondContact CA-O 3.22Å; F10-K176 VanDerWaalsContact CB-O 3.29Å; F10-K176 WeakPolarHBondContact CB-O 3.31Å; F10-D177 HydrophobicContact CB-CB 4.49Å; F10-M178 HydrophobicContact CB-CB 4.35Å; F10-M178 HydrophobicContact CB-CG 3.63Å; F10-M178 HydrophobicContact CD1-CG 4.3Å; F10-M178 HydrophobicContact CD2-CE 4.04Å; F10-M178 HydrophobicContact CD2-CG 3.3Å; F10-M178 HydrophobicContact CD2-SD 3.91Å; F10-M178 HydrophobicContact CE2-CE 3.68Å; F10-M178 HydrophobicContact CE2-CG 3.97Å; F10-M178 HydrophobicContact CE2-SD 4.06Å; F10-M178 HydrophobicContact CG-CG 3.49Å; F10-M178 VanDerWaalsContact CG-CG 3.49Å; F10-M178 HydrophobicContact CZ-CE 3.99Å; F10-M181 HydrophobicContact CD1-CG 4.38Å; F10-Y183 HydrophobicContact CD1-CD2 4.36Å; F10-Y183 HydrophobicContact CD1-CE2 4.05Å; F10-Y183 HydrophobicContact CE1-CD2 4.29Å; F10-Y183 AromaticContact CE1-CE2 3.79Å; F10-Y183 HydrophobicContact CE1-CE2 3.79Å
11L96.9Very high80.7Confident48 Ų4862.9 Ų62.925%0.25136%0.355SS..EExtended strand (participates in β ladder)trans-113.4144176.4-53.3178.5000111T73 F74 K75 T175 K176L11-T73 HydrophobicContact CB-CG2 4.3Å; L11-F74 CarbonylContact C-O 3.57Å; L11-F74 VanDerWaalsContact CA-O 3.28Å; L11-F74 WeakPolarHBondContact CA-O 3.34Å; L11-K75 HydrophobicContact CD2-CB 3.52Å; L11-T175 CarbonylContact O-C 3.57Å; L11-T175 VanDerWaalsContact O-CA 3.3Å; L11-T175 WeakPolarHBondContact O-CA 3.2Å; L11-K176 HydrophobicContact CB-CB 4.03Å; L11-K176 HydrophobicContact CD1-CB 4.47Å; L11-K176 HydrophobicContact CD1-CD 4.06Å; L11-K176 HydrophobicContact CG-CB 4.43Å; L11-K176 PolarHBondContact N-O 2.8Å; L11-K176 PolarHBondContact O-N 2.97Å
12L97.6Very high83.6Confident0 Ų055 Ų550%032%0.318CS..EExtended strand (participates in β ladder)trans-122111.3170.2175.567000108.2V14 W41 T73 F74 W82 P83 I108 I173 T175L12-V14 HydrophobicContact CD2-CG2 4.29Å; L12-V14 HydrophobicContact CG-CG2 4.1Å; L12-W41 HydrophobicContact CB-CH2 4.46Å; L12-W41 HydrophobicContact CB-CZ3 3.87Å; L12-W41 HydrophobicContact CD2-CH2 3.97Å; L12-W41 HydrophobicContact CD2-CZ3 3.71Å; L12-W41 HydrophobicContact CG-CZ3 4.47Å; L12-T73 CarbonylContact O-C 3.53Å; L12-T73 WeakPolarHBondContact O-CA 3.42Å; L12-F74 PolarHBondContact N-O 2.87Å; L12-F74 PolarHBondContact O-N 2.82Å; L12-W82 HydrophobicContact CD1-CH2 4.18Å; L12-W82 HydrophobicContact CD1-CZ2 3.95Å; L12-W82 HydrophobicContact CD2-CH2 3.97Å; L12-W82 HydrophobicContact CD2-CZ2 3.55Å; L12-W82 HydrophobicContact CG-CZ2 4.39Å; L12-P83 HydrophobicContact CD2-CG 4.13Å; L12-I108 HydrophobicContact CD2-CG2 4.18Å; L12-I173 HydrophobicContact CD1-CG2 3.61Å; L12-T175 HydrophobicContact CD1-CG2 4Å
13T98.1Very high86.1Confident27 Ų2746 Ų4617%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-97.5124171.8-59.40000109.3T73 M174T13-T73 WeakPolarHBondContact CG2-OG1 3.17Å; T13-T73 WeakPolarHBondContact OG1-CG2 3.15Å; T13-T73 PolarHBondContact OG1-OG1 2.88Å; T13-M174 HydrophobicContact CG2-CE 3.46Å; T13-M174 VanDerWaalsContact CG2-CE 3.46Å; T13-M174 PolarHBondContact N-O 2.97Å; T13-M174 PolarHBondContact O-N 2.98Å
14V98.3Very high88.5Confident0 Ų043.6 Ų43.60%026%0.263CS..EExtended strand (participates in β ladder)trans-107.8100.9178.1-172.60000107.6L12 Y35 E71 T72 F74 I108 F171 I173L12-V14 HydrophobicContact CD2-CG2 4.29Å; L12-V14 HydrophobicContact CG-CG2 4.1Å; V14-Y35 HydrophobicContact CG1-CE1 4.23Å; V14-E71 WeakPolarHBondContact O-CA 3.19Å; V14-T72 PolarHBondContact N-O 2.89Å; V14-T72 PolarHBondContact O-N 3.12Å; V14-F74 HydrophobicContact CG2-CD2 4.15Å; V14-F74 HydrophobicContact CG2-CE2 3.96Å; V14-I108 HydrophobicContact CG1-CD1 4.02Å; V14-I108 HydrophobicContact CG1-CG2 4.24Å; V14-I108 HydrophobicContact CG2-CG1 4.31Å; V14-I108 HydrophobicContact CG2-CG2 3.64Å; V14-F171 HydrophobicContact CG1-CD1 3.93Å; V14-F171 HydrophobicContact CG1-CE1 4.26Å; V14-I173 HydrophobicContact CB-CD1 4.39Å; V14-I173 HydrophobicContact CG1-CD1 4.06Å; V14-I173 HydrophobicContact CG2-CD1 4.32Å
15N97.9Very high90.6Very high38 Ų3844.2 Ų44.220%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-105.2160.8168.7-68.2-18.9000109.3L70 F171 H172 M174N15-L70 CarbonylContact C-O 3.58Å; N15-L70 VanDerWaalsContact CA-O 3.26Å; N15-L70 WeakPolarHBondContact CA-O 3.29Å; N15-F171 CarbonylContact O-C 3.58Å; N15-F171 WeakPolarHBondContact O-CA 3.09Å; N15-H172 HydrophobicContact CB-CB 4.21Å; N15-H172 PolarHBondContact N-O 3.47Å; N15-H172 PolarHBondContact O-N 2.66Å; N15-M174 VanDerWaalsContact ND2-CE 3.27Å; N15-M174 WeakPolarHBondContact ND2-CE 3.25Å
16G97.6Very high92.5Very high24 Ų2442.8 Ų42.825%0.24724%0.244CC..EExtended strand (participates in β ladder)trans154.2-158.1177.100000113.3L70 S170G16-L70 PolarHBondContact N-O 3.32Å; G16-L70 PolarHBondContact O-N 3.21Å; G16-S170 CarbonylContact C-O 3.59Å; G16-S170 WeakPolarHBondContact CA-O 3.47Å
17Q98.2Very high94.2Very high69 Ų6939 Ų3932%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-155.7145.1176.656.4-175.9-3.300112.1E19 F68 I169 S170Q17-E19 HydrophobicContact CG-CG 3.92Å; Q17-E19 PolarHBondContact O-N 3.04Å; Q17-F68 CarbonylContact C-O 3.49Å; Q17-F68 WeakPolarHBondContact CA-O 3.01Å; Q17-F68 WeakPolarHBondContact CB-O 3.38Å; Q17-I169 WeakPolarHBondContact O-CA 3.01Å; Q17-I169 WeakPolarHBondContact O-CG2 3.16Å; Q17-S170 WeakPolarHBondContact CG-OG 3.08Å; Q17-S170 PolarHBondContact N-O 2.84Å; Q17-S170 PolarHBondContact NE2-OG 3.04Å; Q17-S170 PolarHBondContact O-N 3.14Å
18I98.4Very high95.8Very high0 Ų041.2 Ų41.20%023%0.233CC..EExtended strand (participates in β ladder)trans-77.896.5161.2-51177.3000106.2Y33 T52 W66 N67 F68 L70 V87 V167I18-Y33 HydrophobicContact CD1-CD1 3.93Å; I18-Y33 HydrophobicContact CD1-CG 4.09Å; I18-T52 HydrophobicContact CD1-CG2 4.37Å; I18-W66 HydrophobicContact CG2-CE3 3.89Å; I18-W66 HydrophobicContact CG2-CZ3 4.34Å; I18-N67 WeakPolarHBondContact O-CA 3.3Å; I18-N67 PolarHBondContact O-N 3.46Å; I18-F68 HydrophobicContact CB-CB 4.38Å; I18-F68 PolarHBondContact N-O 2.77Å; I18-F68 PolarHBondContact O-N 2.97Å; I18-L70 HydrophobicContact CD1-CD2 4.16Å; I18-L70 HydrophobicContact CG1-CD1 3.91Å; I18-L70 HydrophobicContact CG1-CD2 4.02Å; I18-L70 HydrophobicContact CG1-CG 4.04Å; I18-V87 HydrophobicContact CD1-CG1 4.44Å; I18-V167 HydrophobicContact CG2-CG1 3.88Å
19E98.2Very high96.3Very high36 Ų3637.2 Ų37.217%0.16821%0.205CC..EExtended strand (participates in β ladder)trans-64.6-46.7-173.8-63.3-174.7177.100111.4Q17 K63 W66 N67 T168 S170Q17-E19 HydrophobicContact CG-CG 3.92Å; Q17-E19 PolarHBondContact O-N 3.04Å; E19-K63 IonicContact OE2-NZ 3.92Å; E19-W66 PolarHBondContact O-N 3.4Å; E19-N67 PolarHBondContact O-N 3.01Å; E19-N67 PolarHBondContact O-OD1 2.79Å; E19-T168 PolarHBondContact N-O 2.83Å; E19-T168 WeakPolarHBondContact OE2-CG2 3.26Å; E19-S170 WeakPolarHBondContact CG-OG 3.49Å; E19-S170 WeakPolarHBondContact OE1-CB 3.39Å; E19-S170 PolarHBondContact OE1-OG 2.92Å
20G97.6Very high96.4Very high0 Ų036.2 Ų36.20%020%0.196CC..EExtended strand (participates in β ladder)trans169.3-171-172.300000113.1L64 T168G20-L64 CarbonylContact C-O 3.43Å; G20-L64 WeakPolarHBondContact CA-O 3.49Å; G20-T168 PolarHBondContact O-N 2.79Å
21A97.2Very high96.5Very high1 Ų136.2 Ų36.21%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-143.8158.5179.900000113.3F23 K63 L64 W66 F166 V167A21-F23 HydrophobicContact CB-CD2 3.68Å; A21-F23 HydrophobicContact CB-CE2 3.69Å; A21-K63 WeakPolarHBondContact O-CG 3.47Å; A21-L64 HydrophobicContact CB-CB 4.5Å; A21-L64 PolarHBondContact N-O 3.14Å; A21-L64 PolarHBondContact O-N 2.82Å; A21-W66 HydrophobicContact CB-CH2 3.55Å; A21-W66 HydrophobicContact CB-CZ3 3.47Å; A21-W66 VanDerWaalsContact CB-CZ3 3.47Å; A21-F166 CarbonylContact C-O 3.36Å; A21-F166 WeakPolarHBondContact CA-O 3.46Å; A21-F166 WeakPolarHBondContact CB-O 3.38Å; A21-V167 HydrophobicContact CB-CG2 4Å
22N96.3Very high96.6Very high76 Ų7636.6 Ų36.641%0.40620%0.196SC..EExtended strand (participates in β ladder)trans-121.9106.9168-173.6-17.1000108.5G165 F166N22-G165 CarbonylContact O-C 3.55Å; N22-G165 WeakPolarHBondContact O-CA 3.43Å; N22-F166 PolarHBondContact N-O 3.42Å; N22-F166 PolarHBondContact O-N 2.66Å
23F95.3Very high96.5Very high0 Ų037 Ų370%020%0.197CC..  trans-121.5107.6173-79.8-97.6000107.6A21 D25 Y26 L29 K57 V89 R101 M121 Q164 V167A21-F23 HydrophobicContact CB-CD2 3.68Å; A21-F23 HydrophobicContact CB-CE2 3.69Å; F23-D25 VanDerWaalsContact C-N 3.35Å; F23-D25 PolarHBondContact O-N 3.39Å; F23-Y26 HydrophobicContact CB-CD2 4.3Å; F23-Y26 HydrophobicContact CD1-CD2 4.07Å; F23-L29 HydrophobicContact CB-CD1 3.94Å; F23-L29 HydrophobicContact CD1-CD1 4.47Å; F23-L29 HydrophobicContact CD2-CD1 3.73Å; F23-L29 HydrophobicContact CE2-CD1 4.34Å; F23-L29 HydrophobicContact CG-CD1 3.8Å; F23-K57 WeakPolarHBondContact O-CE 3.4Å; F23-K57 PolarHBondContact O-NZ 2.75Å; F23-V89 HydrophobicContact CE2-CB 4.13Å; F23-V89 HydrophobicContact CE2-CG1 3.87Å; F23-V89 HydrophobicContact CE2-CG2 3.99Å; F23-V89 HydrophobicContact CZ-CB 3.87Å; F23-V89 HydrophobicContact CZ-CG1 3.95Å; F23-V89 HydrophobicContact CZ-CG2 4.01Å; F23-R101 HydrophobicContact CD1-CB 4.46Å; F23-R101 HydrophobicContact CE1-CB 4.19Å; F23-R101 WeakPolarHBondContact CE1-O 3.17Å; F23-M121 HydrophobicContact CE1-CB 3.95Å; F23-M121 HydrophobicContact CE1-CG 4.4Å; F23-M121 HydrophobicContact CE2-CG 4.12Å; F23-M121 HydrophobicContact CZ-CB 3.6Å; F23-M121 HydrophobicContact CZ-CE 4.4Å; F23-M121 HydrophobicContact CZ-CG 3.58Å; F23-Q164 HydrophobicContact CD1-CB 4.09Å; F23-Q164 VanDerWaalsContact CD1-O 3.24Å; F23-Q164 WeakPolarHBondContact CD1-O 3.47Å; F23-Q164 HydrophobicContact CE1-CB 3.99Å; F23-V167 HydrophobicContact CE2-CG2 4.3Å
24P92.4Very high96.4Very high86 Ų8636.3 Ų36.356%0.55819%0.194SC*.THydrogen-bonded Turntrans-56.3-46.9-174.3-28.736.3000113.2K57 Q164P24-K57 PolarHBondContact O-NZ 2.51Å; P24-Q164 WeakPolarHBondContact CD-O 3.18Å
25D91.4Very high96.3Very high139 Ų13936.7 Ų36.774%0.74320%0.195SC*.THydrogen-bonded Turntrans-92-3.3-169.2-56.3-42.9000114.5F23F23-D25 VanDerWaalsContact C-N 3.35Å; F23-D25 PolarHBondContact O-N 3.39Å
26Y93Very high96.1Very high56 Ų5635.5 Ų35.522%0.2219%0.189CC..  trans-128.1151.5-172.3-55-75.5000113.1F23 K57 R101 Q164F23-Y26 HydrophobicContact CB-CD2 4.3Å; F23-Y26 HydrophobicContact CD1-CD2 4.07Å; Y26-K57 WeakPolarHBondContact O-CE 3.44Å; Y26-K57 PolarHBondContact O-NZ 3.05Å; Y26-R101 HydrophobicContact CD1-CG 4.29Å; Y26-R101 HydrophobicContact CD2-CB 4.46Å; Y26-R101 VanDerWaalsContact CE1-CZ 3.5Å; Y26-R101 HydrophobicContact CG-CG 4.23Å; Y26-Q164 HydrophobicContact CE2-CB 4.45Å; Y26-Q164 VanDerWaalsContact CZ-OE1 3.24Å; Y26-Q164 PolarHBondContact OH-OE1 2.86Å
27D94.3Very high95.9Very high59 Ų5937.8 Ų37.832%0.31619%0.191SC..  trans-145.8171178.9-161.28.5000109.8L29 S56 K57D27-L29 WeakPolarHBondContact O-CD2 3.36Å; D27-S56 WeakPolarHBondContact OD1-CA 3.47Å; D27-K57 HydrophobicContact CB-CD 4.49Å; D27-K57 PolarHBondContact OD1-N 3.42Å
28N95.8Very high95.7Very high78 Ų7835.4 Ų35.442%0.41719%0.185SC..SBendtrans56.459.2-175.3-56.6-74.6000111.4I54 T55 P92N28-I54 HydrophobicContact CB-CG2 4.36Å; N28-T55 CarbonylContact C-O 3.43Å; N28-T55 WeakPolarHBondContact CA-O 3.43Å; N28-T55 PolarHBondContact N-O 3.41Å; N28-P92 HydrophobicContact CB-CG 4.16Å; N28-P92 WeakPolarHBondContact O-CD 3.3Å
29L97.1Very high95.4Very high0 Ų044.1 Ų44.10%023%0.225CC..BIsolated β-bridgetrans-107.1148.5-173.5-55-170.2000112.1F23 D27 T55 L64 W66 V89 Y90 R101F23-L29 HydrophobicContact CB-CD1 3.94Å; F23-L29 HydrophobicContact CD1-CD1 4.47Å; F23-L29 HydrophobicContact CD2-CD1 3.73Å; F23-L29 HydrophobicContact CE2-CD1 4.34Å; F23-L29 HydrophobicContact CG-CD1 3.8Å; D27-L29 WeakPolarHBondContact O-CD2 3.36Å; L29-T55 PolarHBondContact N-O 3.16Å; L29-T55 PolarHBondContact O-N 3.15Å; L29-L64 HydrophobicContact CB-CD1 3.95Å; L29-L64 HydrophobicContact CB-CD2 4.48Å; L29-L64 HydrophobicContact CD1-CD1 3.37Å; L29-L64 HydrophobicContact CG-CD1 3.69Å; L29-W66 HydrophobicContact CB-CZ2 3.85Å; L29-W66 PolarHBondContact O-NE1 2.92Å; L29-V89 HydrophobicContact CB-CG1 3.94Å; L29-V89 HydrophobicContact CD1-CG1 3.67Å; L29-V89 HydrophobicContact CG-CG1 4.27Å; L29-Y90 VanDerWaalsContact CA-O 3.26Å; L29-Y90 WeakPolarHBondContact CA-O 3.27Å; L29-Y90 WeakPolarHBondContact CD2-O 3.3Å; L29-R101 HydrophobicContact CD2-CG 4Å
30Y98.1Very high95.3Very high24 Ų2444.2 Ų44.29%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-127.3161.516369.5-86.6000110.4K32 I51 I54 V89 Y90 D98Y30-K32 HydrophobicContact CD2-CG 4.34Å; Y30-K32 HydrophobicContact CE2-CD 4.44Å; Y30-K32 HydrophobicContact CE2-CG 3.9Å; Y30-I51 HydrophobicContact CD2-CG2 3.59Å; Y30-I51 HydrophobicContact CE2-CG2 3.89Å; Y30-I54 HydrophobicContact CD1-CD1 4.47Å; Y30-I54 HydrophobicContact CD1-CG1 3.93Å; Y30-I54 HydrophobicContact CG-CG1 4.3Å; Y30-V89 WeakPolarHBondContact O-CA 3.26Å; Y30-Y90 VanDerWaalsContact CE1-CB 3.41Å; Y30-Y90 HydrophobicContact CE1-CG 4.33Å; Y30-Y90 AromaticContact CE2-CD2 3.89Å; Y30-Y90 HydrophobicContact CE2-CD2 3.89Å; Y30-Y90 AromaticContact CE2-CG 3.96Å; Y30-Y90 HydrophobicContact CE2-CG 3.96Å; Y30-Y90 AromaticContact CZ-CG 3.74Å; Y30-Y90 PolarHBondContact N-O 3.15Å; Y30-Y90 PolarHBondContact O-N 3.47Å; Y30-D98 HydrophobicContact CE1-CB 4.34Å; Y30-D98 WeakPolarHBondContact CE1-OD2 3.31Å
31C97.2Very high95.2Very high0 Ų044.6 Ų44.60%023%0.228CC..EExtended strand (participates in β ladder)trans-117.9134.1179.8-175.80000109.7I51 T52 W66 S88 V89C31-I51 WeakPolarHBondContact O-CA 3.29Å; C31-T52 HydrophobicContact CB-CG2 3.81Å; C31-T52 PolarHBondContact N-OG1 2.84Å; C31-T52 WeakPolarHBondContact O-CG2 3.35Å; C31-T52 PolarHBondContact O-N 2.91Å; C31-W66 HydrophobicContact CB-CD2 4.42Å; C31-W66 HydrophobicContact CB-CE3 4.24Å; C31-W66 HydrophobicContact CB-CH2 3.99Å; C31-W66 HydrophobicContact CB-CZ2 4.17Å; C31-W66 HydrophobicContact CB-CZ3 4Å; C31-S88 CarbonylContact C-O 3.59Å; C31-S88 WeakPolarHBondContact CA-O 3.21Å; C31-V89 HydrophobicContact CB-CG2 4.31Å
32K97.5Very high95.2Very high55 Ų5546 Ų4624%0.23924%0.24CC..EExtended strand (participates in β ladder)trans-99.8138.2162.3-55-172.7-173.3171.30107.7Y30 G50 I51 V87 S88 Y90 E143Y30-K32 HydrophobicContact CD2-CG 4.34Å; Y30-K32 HydrophobicContact CE2-CD 4.44Å; Y30-K32 HydrophobicContact CE2-CG 3.9Å; K32-G50 CarbonylContact C-O 3.53Å; K32-G50 WeakPolarHBondContact CA-O 3.49Å; K32-I51 HydrophobicContact CD-CD1 4.26Å; K32-I51 HydrophobicContact CD-CG1 4.48Å; K32-I51 HydrophobicContact CG-CD1 4.27Å; K32-I51 HydrophobicContact CG-CG1 4.02Å; K32-I51 HydrophobicContact CG-CG2 4.21Å; K32-V87 CarbonylContact O-C 3.53Å; K32-V87 WeakPolarHBondContact O-CA 3.17Å; K32-S88 PolarHBondContact N-O 2.83Å; K32-S88 PolarHBondContact O-N 3Å; K32-Y90 HydrophobicContact CB-CE2 4.16Å; K32-Y90 HydrophobicContact CD-CD2 4.14Å; K32-Y90 HydrophobicContact CD-CE2 3.51Å; K32-Y90 HydrophobicContact CG-CD2 3.93Å; K32-Y90 HydrophobicContact CG-CE2 3.65Å; K32-E143 IonicContact NZ-OE1 3.23Å
33Y96.9Very high95.1Very high8 Ų844.4 Ų44.43%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-127.5154172.579.5-84.1000111.1I18 Y35 E49 G50 F68 L70 L85 V86I18-Y33 HydrophobicContact CD1-CD1 3.93Å; I18-Y33 HydrophobicContact CD1-CG 4.09Å; Y33-Y35 HydrophobicContact CD2-CE2 4.29Å; Y33-Y35 HydrophobicContact CE2-CD2 4.42Å; Y33-Y35 AromaticContact CE2-CE2 3.85Å; Y33-Y35 HydrophobicContact CE2-CE2 3.85Å; Y33-E49 CarbonylContact O-C 3.58Å; Y33-E49 WeakPolarHBondContact O-CA 3.45Å; Y33-E49 VanDerWaalsContact O-CB 3.31Å; Y33-E49 WeakPolarHBondContact O-CB 3.37Å; Y33-G50 WeakPolarHBondContact CD1-O 3.24Å; Y33-G50 VanDerWaalsContact CE1-N 3.34Å; Y33-G50 PolarHBondContact N-O 3.07Å; Y33-G50 PolarHBondContact O-N 2.76Å; Y33-F68 HydrophobicContact CD1-CE1 4.32Å; Y33-F68 HydrophobicContact CE1-CD1 4.07Å; Y33-F68 AromaticContact CE1-CE1 3.5Å; Y33-F68 HydrophobicContact CE1-CE1 3.5Å; Y33-F68 HydrophobicContact CE1-CZ 4.38Å; Y33-L70 HydrophobicContact CD1-CD2 4.07Å; Y33-L70 HydrophobicContact CD2-CD2 3.71Å; Y33-L70 HydrophobicContact CE1-CD2 3.95Å; Y33-L70 HydrophobicContact CE2-CD2 3.57Å; Y33-L70 HydrophobicContact CG-CD2 3.96Å; Y33-L85 HydrophobicContact CD2-CD1 3.61Å; Y33-L85 HydrophobicContact CG-CD1 4.16Å; Y33-V86 CarbonylContact C-O 3.53Å; Y33-V86 WeakPolarHBondContact CA-O 3.37Å
34C95.8Very high95.1Very high14 Ų1447.3 Ų47.310%0.09525%0.252CS..EExtended strand (participates in β ladder)trans-150.5157.9166.263.50000110.6E48 E49 V86C34-E48 CarbonylContact C-O 3.59Å; C34-E48 VanDerWaalsContact CA-O 3.27Å; C34-E48 WeakPolarHBondContact CA-O 3.43Å; C34-E49 HydrophobicContact CB-CB 3.78Å; C34-V86 PolarHBondContact N-O 3.48Å; C34-V86 PolarHBondContact O-N 3.08Å
35Y95.5Very high95.3Very high7 Ų747.1 Ų47.13%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-92.5141.1171.1-63.7-83.6000111.6V14 Y33 E48 T72 F74 Q84 L85 I108V14-Y35 HydrophobicContact CG1-CE1 4.23Å; Y33-Y35 HydrophobicContact CD2-CE2 4.29Å; Y33-Y35 HydrophobicContact CE2-CD2 4.42Å; Y33-Y35 AromaticContact CE2-CE2 3.85Å; Y33-Y35 HydrophobicContact CE2-CE2 3.85Å; Y35-E48 VanDerWaalsContact CD2-O 3.3Å; Y35-E48 WeakPolarHBondContact CD2-O 3.5Å; Y35-E48 PolarHBondContact N-O 2.78Å; Y35-T72 HydrophobicContact CE2-CG2 4.37Å; Y35-T72 WeakPolarHBondContact CE2-OG1 3.11Å; Y35-F74 HydrophobicContact CD1-CE2 4.38Å; Y35-F74 HydrophobicContact CD1-CZ 4.03Å; Y35-F74 HydrophobicContact CD2-CZ 4.09Å; Y35-F74 HydrophobicContact CG-CE2 4.49Å; Y35-F74 AromaticContact CG-CZ 3.75Å; Y35-F74 HydrophobicContact CG-CZ 3.75Å; Y35-Q84 CarbonylContact C-O 3.59Å; Y35-Q84 VanDerWaalsContact CA-O 3.3Å; Y35-Q84 WeakPolarHBondContact CA-O 3.17Å; Y35-L85 HydrophobicContact CD1-CB 4.41Å; Y35-L85 HydrophobicContact CD1-CD1 4.15Å; Y35-L85 HydrophobicContact CE1-CB 4.27Å; Y35-L85 HydrophobicContact CE1-CD1 3.84Å; Y35-I108 HydrophobicContact CD1-CD1 4.25Å; Y35-I108 HydrophobicContact CE1-CD1 3.8Å; Y35-I108 HydrophobicContact CE1-CG1 4.41Å
36V93.3Very high95.5Very high14 Ų1442.9 Ų42.99%0.08524%0.239CC..EExtended strand (participates in β ladder)trans-120.2131.9169.7179.70000108.3P83 Q84 V86 K148 A151V36-P83 CarbonylContact O-C 3.54Å; V36-P83 WeakPolarHBondContact O-CA 3.49Å; V36-Q84 PolarHBondContact N-O 2.8Å; V36-Q84 PolarHBondContact O-N 3.03Å; V36-V86 HydrophobicContact CB-CG2 4.42Å; V36-V86 HydrophobicContact CG2-CG2 3.71Å; V36-K148 HydrophobicContact CG2-CB 3.91Å; V36-K148 HydrophobicContact CG2-CD 4.18Å; V36-K148 HydrophobicContact CG2-CG 3.61Å; V36-A151 HydrophobicContact CB-CB 3.77Å; V36-A151 HydrophobicContact CG1-CB 3.7Å; V36-A151 HydrophobicContact CG2-CB 3.88Å
37Y95.3Very high95.4Very high71 Ų7145.4 Ų45.428%0.27826%0.255SS..  trans-153.9160.1-17448.4-98.4000110.3W41 P43 E48 F74Y37-W41 HydrophobicContact CD2-CB 3.73Å; Y37-W41 WeakPolarHBondContact CD2-O 3.03Å; Y37-W41 WeakPolarHBondContact CE2-O 3.47Å; Y37-W41 HydrophobicContact CG-CB 4.07Å; Y37-P43 WeakPolarHBondContact OH-CD 3.37Å; Y37-E48 PolarHBondContact OH-OE2 3.1Å; Y37-F74 HydrophobicContact CD1-CD1 4.33Å; Y37-F74 AromaticContact CD1-CE1 3.59Å; Y37-F74 HydrophobicContact CD1-CE1 3.59Å; Y37-F74 HydrophobicContact CD1-CZ 4.33Å; Y37-F74 HydrophobicContact CE1-CD1 4.49Å; Y37-F74 AromaticContact CE1-CE1 3.67Å; Y37-F74 HydrophobicContact CE1-CE1 3.67Å; Y37-F74 HydrophobicContact CG-CE1 4.3Å
38G92.8Very high95.2Very high19 Ų1946.4 Ų46.420%0.19626%0.258CS..  trans-75167.1179.600000113.1D40 W41 G81G38-D40 VanDerWaalsContact C-N 3.26Å; G38-D40 PolarHBondContact O-N 2.88Å; G38-D40 VanDerWaalsContact O-N 3.14Å; G38-W41 WeakPolarHBondContact O-CB 3.49Å; G38-W41 PolarHBondContact O-N 3.36Å; G38-G81 PolarHBondContact N-O 2.73Å
39H92.5Very high95.2Very high183 Ų18349.3 Ų49.385%0.84727%0.269SS*.THydrogen-bonded Turntrans-59.2-26.4-173.165.8-83.5000115.9W41H39-W41 VanDerWaalsContact C-N 3.33Å
40D95.1Very high95Very high39 Ų3950.1 Ų50.121%0.20928%0.277CS..THydrogen-bonded Turntrans-77.8-21.9178.8-170.861.7000112.5G38 S76 T77 N78G38-D40 VanDerWaalsContact C-N 3.26Å; G38-D40 PolarHBondContact O-N 2.88Å; G38-D40 VanDerWaalsContact O-N 3.14Å; D40-S76 PolarHBondContact OD2-OG 3.03Å; D40-T77 PolarHBondContact OD1-OG1 3.36Å; D40-T77 WeakPolarHBondContact OD2-CA 3.22Å; D40-T77 PolarHBondContact OD2-N 2.73Å; D40-T77 PolarHBondContact OD2-OG1 3.11Å; D40-N78 PolarHBondContact OD2-N 3.45Å; D40-N78 PolarHBondContact OD2-ND2 2.9Å
41W96.4Very high95Very high7 Ų753.7 Ų53.73%0.02730%0.297CS..  trans-80.3128.7179.2-65.783.8000110.1F10 L12 Y37 G38 H39 F74 K75 S80 G81 W82 P83F10-W41 AromaticContact CE2-CH2 3.62Å; F10-W41 HydrophobicContact CE2-CH2 3.62Å; F10-W41 HydrophobicContact CE2-CZ2 4.27Å; F10-W41 HydrophobicContact CE2-CZ3 4.06Å; F10-W41 HydrophobicContact CZ-CH2 4.01Å; F10-W41 HydrophobicContact CZ-CZ2 4.2Å; L12-W41 HydrophobicContact CB-CH2 4.46Å; L12-W41 HydrophobicContact CB-CZ3 3.87Å; L12-W41 HydrophobicContact CD2-CH2 3.97Å; L12-W41 HydrophobicContact CD2-CZ3 3.71Å; L12-W41 HydrophobicContact CG-CZ3 4.47Å; Y37-W41 HydrophobicContact CD2-CB 3.73Å; Y37-W41 WeakPolarHBondContact CD2-O 3.03Å; Y37-W41 WeakPolarHBondContact CE2-O 3.47Å; Y37-W41 HydrophobicContact CG-CB 4.07Å; G38-W41 WeakPolarHBondContact O-CB 3.49Å; G38-W41 PolarHBondContact O-N 3.36Å; H39-W41 VanDerWaalsContact C-N 3.33Å; W41-F74 HydrophobicContact CE3-CB 3.69Å; W41-F74 HydrophobicContact CE3-CG 4.34Å; W41-F74 HydrophobicContact CZ3-CB 4.08Å; W41-K75 WeakPolarHBondContact CA-O 3.39Å; W41-S80 VanDerWaalsContact CD1-O 3.29Å; W41-S80 PolarHBondContact NE1-O 3.33Å; W41-G81 VanDerWaalsContact CD1-O 3.3Å; W41-G81 PolarHBondContact NE1-O 3.49Å; W41-W82 HydrophobicContact CH2-CD2 4.03Å; W41-W82 AromaticContact CH2-CE3 3.45Å; W41-W82 HydrophobicContact CH2-CE3 3.45Å; W41-W82 VanDerWaalsContact CH2-CE3 3.45Å; W41-W82 AromaticContact CH2-CH2 3.95Å; W41-W82 HydrophobicContact CH2-CH2 3.95Å; W41-W82 AromaticContact CH2-CZ3 3.39Å; W41-W82 HydrophobicContact CH2-CZ3 3.39Å; W41-W82 AromaticContact CZ2-CD2 3.95Å; W41-W82 HydrophobicContact CZ2-CD2 3.95Å; W41-W82 AromaticContact CZ2-CE3 3.3Å; W41-W82 HydrophobicContact CZ2-CE3 3.3Å; W41-W82 AromaticContact CZ2-CZ3 3.68Å; W41-W82 HydrophobicContact CZ2-CZ3 3.68Å; W41-P83 HydrophobicContact CD2-CG 3.79Å; W41-P83 HydrophobicContact CE3-CG 3.58Å; W41-P83 HydrophobicContact CG-CG 4.35Å; W41-P83 HydrophobicContact CH2-CG 4.3Å; W41-P83 HydrophobicContact CZ3-CG 3.86Å
42A96.4Very high95Very high31 Ų3154.2 Ų54.226%0.25630%0.3SS..EExtended strand (participates in β ladder)trans-126.4127.4174.400000110.5F74 K75A42-F74 CarbonylContact O-C 3.57Å; A42-F74 WeakPolarHBondContact O-CA 3.28Å; A42-K75 HydrophobicContact CB-CD 4.4Å; A42-K75 HydrophobicContact CB-CG 3.88Å; A42-K75 PolarHBondContact N-O 2.78Å; A42-K75 WeakPolarHBondContact O-CG 3.33Å; A42-K75 PolarHBondContact O-N 2.98Å
43P95.3Very high95Very high42 Ų4256 Ų5627%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-65.2135.9170.730.9-36.3000109.1Y37 E48 F74Y37-P43 WeakPolarHBondContact OH-CD 3.37Å; P43-E48 HydrophobicContact CB-CG 3.88Å; P43-E48 HydrophobicContact CG-CG 4.13Å; P43-E48 VanDerWaalsContact CG-OE1 3.24Å; P43-E48 WeakPolarHBondContact CG-OE1 3.3Å; P43-F74 HydrophobicContact CB-CD1 4.34Å; P43-F74 HydrophobicContact CB-CE1 4.32Å
44T95.7Very high95Very high62 Ų6260.7 Ų60.738%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-110.6-34.4178.657.20000112.5T73 K75T44-T73 PolarHBondContact N-O 2.96Å; T44-T73 WeakPolarHBondContact OG1-CG2 3.34Å; T44-T73 PolarHBondContact OG1-O 3.17Å; T44-T73 VanDerWaalsContact OG1-O 3.12Å; T44-K75 HydrophobicContact CG2-CB 3.81Å; T44-K75 HydrophobicContact CG2-CD 3.59Å; T44-K75 HydrophobicContact CG2-CG 3.59Å
45T96.3Very high95Very high81 Ų8161.3 Ų61.350%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-152.3159.5-17861.40000110.3T72 T73T45-T72 WeakPolarHBondContact O-CA 3.44Å; T45-T73 PolarHBondContact O-N 2.79Å; T45-T73 WeakPolarHBondContact OG1-CB 3.31Å; T45-T73 PolarHBondContact OG1-OG1 2.91Å
46G94.6Very high94.9Very high51 Ų5164 Ų6453%0.52636%0.358SS..EExtended strand (participates in β ladder)trans87.3-172.4177.800000113.4E71G46-E71 WeakPolarHBondContact CA-O 3.39Å
47L91.2Very high95Very high109 Ų10965.3 Ų65.357%0.57136%0.362SS*.  trans-98.4134.7-178.7-67.5174.3000110.3E71 T72L47-E71 PolarHBondContact N-O 3.29Å; L47-E71 VanDerWaalsContact N-O 3.11Å; L47-T72 PolarHBondContact O-OG1 3.03Å
48E91.6Very high94.6Very high79 Ų7965 Ų6537%0.36937%0.37SS..SBendtrans-87.5-19.9176.9-63.9-174.5-117.300113.1C34 Y35 Y37 P43C34-E48 CarbonylContact C-O 3.59Å; C34-E48 VanDerWaalsContact CA-O 3.27Å; C34-E48 WeakPolarHBondContact CA-O 3.43Å; Y35-E48 VanDerWaalsContact CD2-O 3.3Å; Y35-E48 WeakPolarHBondContact CD2-O 3.5Å; Y35-E48 PolarHBondContact N-O 2.78Å; Y37-E48 PolarHBondContact OH-OE2 3.1Å; P43-E48 HydrophobicContact CB-CG 3.88Å; P43-E48 HydrophobicContact CG-CG 4.13Å; P43-E48 VanDerWaalsContact CG-OE1 3.24Å; P43-E48 WeakPolarHBondContact CG-OE1 3.3Å
49E94.3Very high94Very high139 Ų13970.1 Ų70.165%0.6540%0.403SS*.EExtended strand (participates in β ladder)trans-150.7160178.762.7-180-172.700110.4Y33 C34Y33-E49 CarbonylContact O-C 3.58Å; Y33-E49 WeakPolarHBondContact O-CA 3.45Å; Y33-E49 VanDerWaalsContact O-CB 3.31Å; Y33-E49 WeakPolarHBondContact O-CB 3.37Å; C34-E49 HydrophobicContact CB-CB 3.78Å
50G93.8Very high93.5Very high17 Ų1770.1 Ų70.118%0.17540%0.403CS..EExtended strand (participates in β ladder)trans-174.8173.717700000113.1K32 Y33K32-G50 CarbonylContact C-O 3.53Å; K32-G50 WeakPolarHBondContact CA-O 3.49Å; Y33-G50 WeakPolarHBondContact CD1-O 3.24Å; Y33-G50 VanDerWaalsContact CE1-N 3.34Å; Y33-G50 PolarHBondContact N-O 3.07Å; Y33-G50 PolarHBondContact O-N 2.76Å
51I96.9Very high92.9Very high100 Ų10070.5 Ų70.551%0.51341%0.409SS..EExtended strand (participates in β ladder)trans-131.1129.8-175.9-50.2-175000108.2Y30 C31 K32 F68Y30-I51 HydrophobicContact CD2-CG2 3.59Å; Y30-I51 HydrophobicContact CE2-CG2 3.89Å; C31-I51 WeakPolarHBondContact O-CA 3.29Å; K32-I51 HydrophobicContact CD-CD1 4.26Å; K32-I51 HydrophobicContact CD-CG1 4.48Å; K32-I51 HydrophobicContact CG-CD1 4.27Å; K32-I51 HydrophobicContact CG-CG1 4.02Å; K32-I51 HydrophobicContact CG-CG2 4.21Å; I51-F68 VanDerWaalsContact O-CE2 3.29Å; I51-F68 WeakPolarHBondContact O-CE2 3.45Å
52T98.3Very high92.4Very high10 Ų1077.1 Ų77.16%0.06144%0.44CS..PPolyproline II helixtrans-77168176.874.70000111.6I18 C31 W66 F68I18-T52 HydrophobicContact CD1-CG2 4.37Å; C31-T52 HydrophobicContact CB-CG2 3.81Å; C31-T52 PolarHBondContact N-OG1 2.84Å; C31-T52 WeakPolarHBondContact O-CG2 3.35Å; C31-T52 PolarHBondContact O-N 2.91Å; T52-W66 HydrophobicContact CG2-CB 4.37Å; T52-W66 HydrophobicContact CG2-CG 4.27Å; T52-W66 VanDerWaalsContact OG1-CD1 3.3Å; T52-W66 PolarHBondContact OG1-NE1 3.35Å; T52-F68 HydrophobicContact CG2-CB 3.48Å; T52-F68 VanDerWaalsContact CG2-CB 3.48Å; T52-F68 HydrophobicContact CG2-CD1 4.12Å; T52-F68 HydrophobicContact CG2-CD2 3.84Å; T52-F68 HydrophobicContact CG2-CG 3.53Å
53Q97.5Very high92.2Very high92 Ų9278.8 Ų78.843%0.4344%0.441SS..PPolyproline II helixtrans-62.3157.9162.774.3-7915.100111.6W66Q53-W66 PolarHBondContact NE2-O 2.77Å; Q53-W66 PolarHBondContact O-NE1 3.36Å; Q53-W66 VanDerWaalsContact O-NE1 3.13Å
54I96.8Very high92.2Very high107 Ų10776.8 Ų76.855%0.54943%0.428SS..PPolyproline II helixtrans-74.9133165.8-57.9173.1000108N28 Y30N28-I54 HydrophobicContact CB-CG2 4.36Å; Y30-I54 HydrophobicContact CD1-CD1 4.47Å; Y30-I54 HydrophobicContact CD1-CG1 3.93Å; Y30-I54 HydrophobicContact CG-CG1 4.3Å
55T95.8Very high92.3Very high28 Ų2877.1 Ų77.117%0.17243%0.427CS..BIsolated β-bridgetrans-131.3153.8177.8-160.90000110.1N28 L29 L64 I65 W66N28-T55 CarbonylContact C-O 3.43Å; N28-T55 WeakPolarHBondContact CA-O 3.43Å; N28-T55 PolarHBondContact N-O 3.41Å; L29-T55 PolarHBondContact N-O 3.16Å; L29-T55 PolarHBondContact O-N 3.15Å; T55-L64 HydrophobicContact CG2-CB 3.69Å; T55-L64 HydrophobicContact CG2-CD2 3.63Å; T55-L64 HydrophobicContact CG2-CG 4.29Å; T55-L64 VanDerWaalsContact O-CD2 3.25Å; T55-L64 WeakPolarHBondContact O-CD2 3.31Å; T55-I65 WeakPolarHBondContact CB-O 3.5Å; T55-I65 WeakPolarHBondContact CG2-O 3.3Å; T55-I65 PolarHBondContact OG1-O 3.43Å; T55-W66 HydrophobicContact CG2-CD2 4.38Å; T55-W66 HydrophobicContact CG2-CG 4.24Å; T55-W66 HydrophobicContact CG2-CZ2 4.46Å; T55-W66 VanDerWaalsContact CG2-NE1 3.25Å
56S94.3Very high92.3Very high64 Ų6473.5 Ų73.545%0.44841%0.405SS..  trans-121.2158175.558.50000111.3D27D27-S56 WeakPolarHBondContact OD1-CA 3.47Å
57K93.5Very high92.5Very high40 Ų4075.2 Ų75.217%0.17440%0.401CS..  trans-65.1139.9175-70.1170.2176.4163.40109.4F23 P24 Y26 D27 H62 L64F23-K57 WeakPolarHBondContact O-CE 3.4Å; F23-K57 PolarHBondContact O-NZ 2.75Å; P24-K57 PolarHBondContact O-NZ 2.51Å; Y26-K57 WeakPolarHBondContact O-CE 3.44Å; Y26-K57 PolarHBondContact O-NZ 3.05Å; D27-K57 HydrophobicContact CB-CD 4.49Å; D27-K57 PolarHBondContact OD1-N 3.42Å; K57-H62 WeakPolarHBondContact CE-O 3.32Å; K57-L64 HydrophobicContact CG-CD2 4.12Å; K57-L64 HydrophobicContact CG-CG 4.05Å
58S87.3Confident92.8Very high65 Ų6571.9 Ų71.946%0.45538%0.382SS..BIsolated β-bridgetrans-80.3159.5172.281.10000110.3Q60 S61S58-Q60 PolarHBondContact O-N 2.88Å; S58-Q60 VanDerWaalsContact O-N 3.07Å; S58-Q60 PolarHBondContact OG-N 2.93Å; S58-S61 PolarHBondContact N-O 2.92Å; S58-S61 PolarHBondContact O-N 2.9Å; S58-S61 WeakPolarHBondContact OG-CB 3.37Å; S58-S61 PolarHBondContact OG-N 3.03Å; S58-S61 VanDerWaalsContact OG-N 3.1Å
59S81.4Confident93.1Very high126 Ų12672.1 Ų72.188%0.88139%0.391SS*.THydrogen-bonded Turntrans-61.1-17.5175.553.50000113.9
60Q81.7Confident93.3Very high183 Ų18365.7 Ų65.786%0.85536%0.361SS*.THydrogen-bonded Turntrans-107.7-10.8-176.2-60.5175.838.100113S58S58-Q60 PolarHBondContact O-N 2.88Å; S58-Q60 VanDerWaalsContact O-N 3.07Å; S58-Q60 PolarHBondContact OG-N 2.93Å
61S82.3Confident93.4Very high47 Ų4771 Ų7133%0.32938%0.381SS..BIsolated β-bridgetrans-143.6128.5-175.3178.80000111.1S58 K63S58-S61 PolarHBondContact N-O 2.92Å; S58-S61 PolarHBondContact O-N 2.9Å; S58-S61 WeakPolarHBondContact OG-CB 3.37Å; S58-S61 PolarHBondContact OG-N 3.03Å; S58-S61 VanDerWaalsContact OG-N 3.1Å; S61-K63 PolarHBondContact O-N 3.12Å; S61-K63 WeakPolarHBondContact OG-CB 2.94Å; S61-K63 PolarHBondContact OG-N 2.8Å; S61-K63 VanDerWaalsContact OG-N 3.13Å
62H85.3Confident93.4Very high147 Ų14766.2 Ų66.268%0.68136%0.357SS*.SBendtrans-77.36171.8-59.3-70.4000113.3K57K57-H62 WeakPolarHBondContact CE-O 3.32Å
63K92.1Very high93.4Very high65 Ų6566.5 Ų66.528%0.28336%0.359SS..  trans-93.7130.9178.1-169.3178.3174.1-176.10110.4E19 A21 S61 I65E19-K63 IonicContact OE2-NZ 3.92Å; A21-K63 WeakPolarHBondContact O-CG 3.47Å; S61-K63 PolarHBondContact O-N 3.12Å; S61-K63 WeakPolarHBondContact OG-CB 2.94Å; S61-K63 PolarHBondContact OG-N 2.8Å; S61-K63 VanDerWaalsContact OG-N 3.13Å; K63-I65 HydrophobicContact CB-CD1 4.41Å; K63-I65 HydrophobicContact CD-CD1 3.65Å; K63-I65 HydrophobicContact CG-CD1 3.78Å
64L96.1Very high93.5Very high0 Ų062.1 Ų62.10%034%0.338CS..EExtended strand (participates in β ladder)trans-80.8132.7167.7-68.7152.2000108.4G20 A21 L29 T55 K57G20-L64 CarbonylContact C-O 3.43Å; G20-L64 WeakPolarHBondContact CA-O 3.49Å; A21-L64 HydrophobicContact CB-CB 4.5Å; A21-L64 PolarHBondContact N-O 3.14Å; A21-L64 PolarHBondContact O-N 2.82Å; L29-L64 HydrophobicContact CB-CD1 3.95Å; L29-L64 HydrophobicContact CB-CD2 4.48Å; L29-L64 HydrophobicContact CD1-CD1 3.37Å; L29-L64 HydrophobicContact CG-CD1 3.69Å; T55-L64 HydrophobicContact CG2-CB 3.69Å; T55-L64 HydrophobicContact CG2-CD2 3.63Å; T55-L64 HydrophobicContact CG2-CG 4.29Å; T55-L64 VanDerWaalsContact O-CD2 3.25Å; T55-L64 WeakPolarHBondContact O-CD2 3.31Å; K57-L64 HydrophobicContact CG-CD2 4.12Å; K57-L64 HydrophobicContact CG-CG 4.05Å
65I96.9Very high93.5Very high69 Ų6961.6 Ų61.635%0.35433%0.332SS..EExtended strand (participates in β ladder)trans-117.5123.4-178.5-55-63.3000109.3T55 K63 N67T55-I65 WeakPolarHBondContact CB-O 3.5Å; T55-I65 WeakPolarHBondContact CG2-O 3.3Å; T55-I65 PolarHBondContact OG1-O 3.43Å; K63-I65 HydrophobicContact CB-CD1 4.41Å; K63-I65 HydrophobicContact CD-CD1 3.65Å; K63-I65 HydrophobicContact CG-CD1 3.78Å; I65-N67 WeakPolarHBondContact CG2-ND2 3.27Å
66W97.5Very high93.5Very high6 Ų660.3 Ų60.32%0.02332%0.324CS..EExtended strand (participates in β ladder)trans-109.1-43.7172.9-65.5-61.5000112I18 E19 A21 L29 C31 T52 Q53 T55 F68 V89 V167I18-W66 HydrophobicContact CG2-CE3 3.89Å; I18-W66 HydrophobicContact CG2-CZ3 4.34Å; E19-W66 PolarHBondContact O-N 3.4Å; A21-W66 HydrophobicContact CB-CH2 3.55Å; A21-W66 HydrophobicContact CB-CZ3 3.47Å; A21-W66 VanDerWaalsContact CB-CZ3 3.47Å; L29-W66 HydrophobicContact CB-CZ2 3.85Å; L29-W66 PolarHBondContact O-NE1 2.92Å; C31-W66 HydrophobicContact CB-CD2 4.42Å; C31-W66 HydrophobicContact CB-CE3 4.24Å; C31-W66 HydrophobicContact CB-CH2 3.99Å; C31-W66 HydrophobicContact CB-CZ2 4.17Å; C31-W66 HydrophobicContact CB-CZ3 4Å; T52-W66 HydrophobicContact CG2-CB 4.37Å; T52-W66 HydrophobicContact CG2-CG 4.27Å; T52-W66 VanDerWaalsContact OG1-CD1 3.3Å; T52-W66 PolarHBondContact OG1-NE1 3.35Å; Q53-W66 PolarHBondContact NE2-O 2.77Å; Q53-W66 PolarHBondContact O-NE1 3.36Å; Q53-W66 VanDerWaalsContact O-NE1 3.13Å; T55-W66 HydrophobicContact CG2-CD2 4.38Å; T55-W66 HydrophobicContact CG2-CG 4.24Å; T55-W66 HydrophobicContact CG2-CZ2 4.46Å; T55-W66 VanDerWaalsContact CG2-NE1 3.25Å; W66-F68 HydrophobicContact CB-CB 4.28Å; W66-F68 PolarHBondContact O-N 3.31Å; W66-V89 HydrophobicContact CH2-CG1 4.11Å; W66-V89 HydrophobicContact CH2-CG2 4Å; W66-V89 HydrophobicContact CZ2-CG1 4.45Å; W66-V167 HydrophobicContact CZ3-CG2 4.46Å
67N97.3Very high93.6Very high86 Ų8660 Ų6046%0.4632%0.319SS..EExtended strand (participates in β ladder)trans45.942.1-170.3-61.5-25.2000112.2I18 E19 I65I18-N67 WeakPolarHBondContact O-CA 3.3Å; I18-N67 PolarHBondContact O-N 3.46Å; E19-N67 PolarHBondContact O-N 3.01Å; E19-N67 PolarHBondContact O-OD1 2.79Å; I65-N67 WeakPolarHBondContact CG2-ND2 3.27Å
68F98.3Very high93.6Very high39 Ų3960.3 Ų60.317%0.17132%0.323CS..EExtended strand (participates in β ladder)trans-82.8127.1-174.6-173.7-86.1000110Q17 I18 Y33 I51 T52 W66Q17-F68 CarbonylContact C-O 3.49Å; Q17-F68 WeakPolarHBondContact CA-O 3.01Å; Q17-F68 WeakPolarHBondContact CB-O 3.38Å; I18-F68 HydrophobicContact CB-CB 4.38Å; I18-F68 PolarHBondContact N-O 2.77Å; I18-F68 PolarHBondContact O-N 2.97Å; Y33-F68 HydrophobicContact CD1-CE1 4.32Å; Y33-F68 HydrophobicContact CE1-CD1 4.07Å; Y33-F68 AromaticContact CE1-CE1 3.5Å; Y33-F68 HydrophobicContact CE1-CE1 3.5Å; Y33-F68 HydrophobicContact CE1-CZ 4.38Å; I51-F68 VanDerWaalsContact O-CE2 3.29Å; I51-F68 WeakPolarHBondContact O-CE2 3.45Å; T52-F68 HydrophobicContact CG2-CB 3.48Å; T52-F68 VanDerWaalsContact CG2-CB 3.48Å; T52-F68 HydrophobicContact CG2-CD1 4.12Å; T52-F68 HydrophobicContact CG2-CD2 3.84Å; T52-F68 HydrophobicContact CG2-CG 3.53Å; W66-F68 HydrophobicContact CB-CB 4.28Å; W66-F68 PolarHBondContact O-N 3.31Å
69P97.9Very high93.9Very high85 Ų8559.5 Ų59.555%0.55232%0.316SS*.EExtended strand (participates in β ladder)trans-69.2142.3-173.328.8-35.4000112.5
70L97.6Very high94.5Very high3 Ų357.4 Ų57.42%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-116.3123169.1-64.6174.8000108N15 G16 I18 Y33 L85 I169 F171N15-L70 CarbonylContact C-O 3.58Å; N15-L70 VanDerWaalsContact CA-O 3.26Å; N15-L70 WeakPolarHBondContact CA-O 3.29Å; G16-L70 PolarHBondContact N-O 3.32Å; G16-L70 PolarHBondContact O-N 3.21Å; I18-L70 HydrophobicContact CD1-CD2 4.16Å; I18-L70 HydrophobicContact CG1-CD1 3.91Å; I18-L70 HydrophobicContact CG1-CD2 4.02Å; I18-L70 HydrophobicContact CG1-CG 4.04Å; Y33-L70 HydrophobicContact CD1-CD2 4.07Å; Y33-L70 HydrophobicContact CD2-CD2 3.71Å; Y33-L70 HydrophobicContact CE1-CD2 3.95Å; Y33-L70 HydrophobicContact CE2-CD2 3.57Å; Y33-L70 HydrophobicContact CG-CD2 3.96Å; L70-L85 HydrophobicContact CD1-CD2 3.62Å; L70-I169 HydrophobicContact CD1-CG2 3.76Å; L70-F171 HydrophobicContact CD1-CE1 4.37Å
71E96.9Very high95.1Very high129 Ų12950.4 Ų50.460%0.60328%0.279SS*.EExtended strand (participates in β ladder)trans-147.8111.4178.1-178.6170.9-172.100109.6V14 G46 L47V14-E71 WeakPolarHBondContact O-CA 3.19Å; G46-E71 WeakPolarHBondContact CA-O 3.39Å; L47-E71 PolarHBondContact N-O 3.29Å; L47-E71 VanDerWaalsContact N-O 3.11Å
72T97.8Very high95.8Very high0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-151.7139.8178.3-39.50000109.7V14 Y35 T45 L47 F74V14-T72 PolarHBondContact N-O 2.89Å; V14-T72 PolarHBondContact O-N 3.12Å; Y35-T72 HydrophobicContact CE2-CG2 4.37Å; Y35-T72 WeakPolarHBondContact CE2-OG1 3.11Å; T45-T72 WeakPolarHBondContact O-CA 3.44Å; L47-T72 PolarHBondContact O-OG1 3.03Å; T72-F74 HydrophobicContact CG2-CD2 4.37Å; T72-F74 HydrophobicContact CG2-CE1 4.14Å; T72-F74 HydrophobicContact CG2-CE2 3.7Å; T72-F74 HydrophobicContact CG2-CZ 3.56Å
73T98.3Very high96.3Very high16 Ų1642 Ų4210%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-116.8135.7168-61.80000109.9L11 L12 T13 T44 T45L11-T73 HydrophobicContact CB-CG2 4.3Å; L12-T73 CarbonylContact O-C 3.53Å; L12-T73 WeakPolarHBondContact O-CA 3.42Å; T13-T73 WeakPolarHBondContact CG2-OG1 3.17Å; T13-T73 WeakPolarHBondContact OG1-CG2 3.15Å; T13-T73 PolarHBondContact OG1-OG1 2.88Å; T44-T73 PolarHBondContact N-O 2.96Å; T44-T73 WeakPolarHBondContact OG1-CG2 3.34Å; T44-T73 PolarHBondContact OG1-O 3.17Å; T44-T73 VanDerWaalsContact OG1-O 3.12Å; T45-T73 PolarHBondContact O-N 2.79Å; T45-T73 WeakPolarHBondContact OG1-CB 3.31Å; T45-T73 PolarHBondContact OG1-OG1 2.91Å
74F98Very high96.6Very high0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-112.2149.3174.4-56.2-91.1000110.5L11 L12 V14 Y35 Y37 W41 A42 P43 T72 P83L11-F74 CarbonylContact C-O 3.57Å; L11-F74 VanDerWaalsContact CA-O 3.28Å; L11-F74 WeakPolarHBondContact CA-O 3.34Å; L12-F74 PolarHBondContact N-O 2.87Å; L12-F74 PolarHBondContact O-N 2.82Å; V14-F74 HydrophobicContact CG2-CD2 4.15Å; V14-F74 HydrophobicContact CG2-CE2 3.96Å; Y35-F74 HydrophobicContact CD1-CE2 4.38Å; Y35-F74 HydrophobicContact CD1-CZ 4.03Å; Y35-F74 HydrophobicContact CD2-CZ 4.09Å; Y35-F74 HydrophobicContact CG-CE2 4.49Å; Y35-F74 AromaticContact CG-CZ 3.75Å; Y35-F74 HydrophobicContact CG-CZ 3.75Å; Y37-F74 HydrophobicContact CD1-CD1 4.33Å; Y37-F74 AromaticContact CD1-CE1 3.59Å; Y37-F74 HydrophobicContact CD1-CE1 3.59Å; Y37-F74 HydrophobicContact CD1-CZ 4.33Å; Y37-F74 HydrophobicContact CE1-CD1 4.49Å; Y37-F74 AromaticContact CE1-CE1 3.67Å; Y37-F74 HydrophobicContact CE1-CE1 3.67Å; Y37-F74 HydrophobicContact CG-CE1 4.3Å; W41-F74 HydrophobicContact CE3-CB 3.69Å; W41-F74 HydrophobicContact CE3-CG 4.34Å; W41-F74 HydrophobicContact CZ3-CB 4.08Å; A42-F74 CarbonylContact O-C 3.57Å; A42-F74 WeakPolarHBondContact O-CA 3.28Å; P43-F74 HydrophobicContact CB-CD1 4.34Å; P43-F74 HydrophobicContact CB-CE1 4.32Å; T72-F74 HydrophobicContact CG2-CD2 4.37Å; T72-F74 HydrophobicContact CG2-CE1 4.14Å; T72-F74 HydrophobicContact CG2-CE2 3.7Å; T72-F74 HydrophobicContact CG2-CZ 3.56Å; F74-P83 HydrophobicContact CD2-CG 4.3Å; F74-P83 HydrophobicContact CE2-CB 4.42Å; F74-P83 HydrophobicContact CG-CG 4.31Å
75K97.1Very high96.6Very high95 Ų9540.4 Ų40.441%0.41323%0.227SC..EExtended strand (participates in β ladder)trans-112.5145.7164.767-179.6175.5-178.70109.6F10 L11 W41 A42 T44F10-K75 WeakPolarHBondContact O-CA 3.31Å; L11-K75 HydrophobicContact CD2-CB 3.52Å; W41-K75 WeakPolarHBondContact CA-O 3.39Å; A42-K75 HydrophobicContact CB-CD 4.4Å; A42-K75 HydrophobicContact CB-CG 3.88Å; A42-K75 PolarHBondContact N-O 2.78Å; A42-K75 WeakPolarHBondContact O-CG 3.33Å; A42-K75 PolarHBondContact O-N 2.98Å; T44-K75 HydrophobicContact CG2-CB 3.81Å; T44-K75 HydrophobicContact CG2-CD 3.59Å; T44-K75 HydrophobicContact CG2-CG 3.59Å
76S97.1Very high96.6Very high2 Ų237.2 Ų37.21%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-152.6157.2175.9-148.90000110.7V9 F10 D40 N78V9-S76 VanDerWaalsContact CA-O 3.3Å; V9-S76 WeakPolarHBondContact CA-O 3.24Å; F10-S76 WeakPolarHBondContact CD1-O 2.99Å; F10-S76 PolarHBondContact N-O 2.82Å; F10-S76 PolarHBondContact O-N 2.93Å; D40-S76 PolarHBondContact OD2-OG 3.03Å; S76-N78 WeakPolarHBondContact CB-O 3.45Å; S76-N78 PolarHBondContact OG-O 2.81Å
77T95.4Very high96.6Very high57 Ų5736.9 Ų36.935%0.3521%0.21SC..SBendtrans-95-24.5170.468.40000111.7V9 D40 M181V9-T77 HydrophobicContact CG1-CG2 3.85Å; D40-T77 PolarHBondContact OD1-OG1 3.36Å; D40-T77 WeakPolarHBondContact OD2-CA 3.22Å; D40-T77 PolarHBondContact OD2-N 2.73Å; D40-T77 PolarHBondContact OD2-OG1 3.11Å; T77-M181 VanDerWaalsContact O-CE 3.22Å; T77-M181 WeakPolarHBondContact O-CE 3.14Å
78N93.9Very high96.5Very high47 Ų4733.1 Ų33.125%0.25119%0.19SC..SBendtrans-145.2160.8178.375.285.7000111.6D40 S76 S80D40-N78 PolarHBondContact OD2-N 3.45Å; D40-N78 PolarHBondContact OD2-ND2 2.9Å; S76-N78 WeakPolarHBondContact CB-O 3.45Å; S76-N78 PolarHBondContact OG-O 2.81Å; N78-S80 VanDerWaalsContact C-N 3.33Å; N78-S80 PolarHBondContact O-N 2.77Å; N78-S80 WeakPolarHBondContact OD1-CB 3.21Å; N78-S80 PolarHBondContact OD1-N 2.97Å
79P93.7Very high96.4Very high48 Ų4831.3 Ų31.331%0.31218%0.182SC..  trans-83.1-2.6-175.232.5-37.3000114.5W82 Y183P79-W82 HydrophobicContact CB-CE3 4.03Å; P79-W82 HydrophobicContact CB-CZ3 4.18Å; P79-W82 PolarHBondContact O-N 3.44Å; P79-Y183 WeakPolarHBondContact CD-OH 3.42Å; P79-Y183 HydrophobicContact CG-CD1 4.44Å; P79-Y183 HydrophobicContact CG-CE1 3.9Å
80S93.9Very high96.3Very high81 Ų8128 Ų2857%0.56616%0.159SC*.THydrogen-bonded Turntrans-63139.3-177.9-169.20000111.1W41 N78W41-S80 VanDerWaalsContact CD1-O 3.29Å; W41-S80 PolarHBondContact NE1-O 3.33Å; N78-S80 VanDerWaalsContact C-N 3.33Å; N78-S80 PolarHBondContact O-N 2.77Å; N78-S80 WeakPolarHBondContact OD1-CB 3.21Å; N78-S80 PolarHBondContact OD1-N 2.97Å
81G94Very high96.1Very high37 Ų3727.8 Ų27.838%0.38116%0.158SC..THydrogen-bonded Turntrans68.736.9-174.800000113.4G38 W41G38-G81 PolarHBondContact N-O 2.73Å; W41-G81 VanDerWaalsContact CD1-O 3.3Å; W41-G81 PolarHBondContact NE1-O 3.49Å
82W96.5Very high95.9Very high18 Ų1824 Ų247%0.06814%0.144CC..  trans-46138.3-178.1-169.5-94000113.3L12 W41 P79 I108 F110 M178L12-W82 HydrophobicContact CD1-CH2 4.18Å; L12-W82 HydrophobicContact CD1-CZ2 3.95Å; L12-W82 HydrophobicContact CD2-CH2 3.97Å; L12-W82 HydrophobicContact CD2-CZ2 3.55Å; L12-W82 HydrophobicContact CG-CZ2 4.39Å; W41-W82 HydrophobicContact CH2-CD2 4.03Å; W41-W82 AromaticContact CH2-CE3 3.45Å; W41-W82 HydrophobicContact CH2-CE3 3.45Å; W41-W82 VanDerWaalsContact CH2-CE3 3.45Å; W41-W82 AromaticContact CH2-CH2 3.95Å; W41-W82 HydrophobicContact CH2-CH2 3.95Å; W41-W82 AromaticContact CH2-CZ3 3.39Å; W41-W82 HydrophobicContact CH2-CZ3 3.39Å; W41-W82 AromaticContact CZ2-CD2 3.95Å; W41-W82 HydrophobicContact CZ2-CD2 3.95Å; W41-W82 AromaticContact CZ2-CE3 3.3Å; W41-W82 HydrophobicContact CZ2-CE3 3.3Å; W41-W82 AromaticContact CZ2-CZ3 3.68Å; W41-W82 HydrophobicContact CZ2-CZ3 3.68Å; P79-W82 HydrophobicContact CB-CE3 4.03Å; P79-W82 HydrophobicContact CB-CZ3 4.18Å; P79-W82 PolarHBondContact O-N 3.44Å; W82-I108 PolarHBondContact NE1-O 3.44Å; W82-F110 HydrophobicContact CB-CE1 3.84Å; W82-F110 HydrophobicContact CB-CZ 4.36Å; W82-F110 AromaticContact CD1-CE1 3.42Å; W82-F110 VanDerWaalsContact CD1-CE1 3.42Å; W82-F110 AromaticContact CD1-CZ 3.74Å; W82-F110 AromaticContact CD2-CD1 3.51Å; W82-F110 HydrophobicContact CD2-CD1 3.51Å; W82-F110 AromaticContact CD2-CE1 3.32Å; W82-F110 HydrophobicContact CD2-CE1 3.32Å; W82-F110 HydrophobicContact CD2-CZ 4.36Å; W82-F110 AromaticContact CE2-CD1 3.42Å; W82-F110 VanDerWaalsContact CE2-CD1 3.42Å; W82-F110 AromaticContact CE2-CE1 3.61Å; W82-F110 AromaticContact CE3-CD1 3.87Å; W82-F110 HydrophobicContact CE3-CD1 3.87Å; W82-F110 AromaticContact CE3-CE1 3.89Å; W82-F110 HydrophobicContact CE3-CE1 3.89Å; W82-F110 AromaticContact CG-CD1 3.94Å; W82-F110 HydrophobicContact CG-CD1 3.94Å; W82-F110 AromaticContact CG-CE1 3.24Å; W82-F110 HydrophobicContact CG-CE1 3.24Å; W82-F110 AromaticContact CG-CZ 3.91Å; W82-F110 HydrophobicContact CG-CZ 3.91Å; W82-F110 HydrophobicContact CH2-CD1 4.17Å; W82-F110 AromaticContact CZ2-CD1 3.78Å; W82-F110 HydrophobicContact CZ2-CD1 3.78Å; W82-F110 HydrophobicContact CZ2-CE1 4.41Å; W82-F110 HydrophobicContact CZ2-CG 4.41Å; W82-F110 HydrophobicContact CZ3-CD1 4.19Å; W82-F110 AromaticContact NE1-CD1 3.7Å; W82-F110 AromaticContact NE1-CE1 3.59Å; W82-M178 HydrophobicContact CH2-CE 3.79Å; W82-M178 HydrophobicContact CH2-SD 4.16Å; W82-M178 HydrophobicContact CZ3-CE 3.6Å
83P97.1Very high95.4Very high0 Ų025.9 Ų25.90%015%0.154CC..  trans-58.1142.2-176.7-26.635.7000113.7L12 V36 W41 F74 I108L12-P83 HydrophobicContact CD2-CG 4.13Å; V36-P83 CarbonylContact O-C 3.54Å; V36-P83 WeakPolarHBondContact O-CA 3.49Å; W41-P83 HydrophobicContact CD2-CG 3.79Å; W41-P83 HydrophobicContact CE3-CG 3.58Å; W41-P83 HydrophobicContact CG-CG 4.35Å; W41-P83 HydrophobicContact CH2-CG 4.3Å; W41-P83 HydrophobicContact CZ3-CG 3.86Å; F74-P83 HydrophobicContact CD2-CG 4.3Å; F74-P83 HydrophobicContact CE2-CB 4.42Å; F74-P83 HydrophobicContact CG-CG 4.31Å; P83-I108 HydrophobicContact CB-CG1 3.93Å; P83-I108 WeakPolarHBondContact O-CG1 3.43Å; P83-I108 PolarHBondContact O-N 2.81Å
84Q97.3Very high94.7Very high31 Ų3131.9 Ų31.915%0.14519%0.19CC..EExtended strand (participates in β ladder)trans-122.5142.1172.3-60.8-178.525.300109.3Y35 V36 T106 H107 A151Y35-Q84 CarbonylContact C-O 3.59Å; Y35-Q84 VanDerWaalsContact CA-O 3.3Å; Y35-Q84 WeakPolarHBondContact CA-O 3.17Å; V36-Q84 PolarHBondContact N-O 2.8Å; V36-Q84 PolarHBondContact O-N 3.03Å; Q84-T106 CarbonylContact C-O 3.44Å; Q84-T106 VanDerWaalsContact CA-O 3.32Å; Q84-T106 WeakPolarHBondContact CA-O 3.45Å; Q84-H107 VanDerWaalsContact CG-CD2 3.5Å; Q84-H107 WeakPolarHBondContact CG-CD2 3.36Å; Q84-H107 PolarHBondContact NE2-CE1 2.95Å; Q84-H107 PolarHBondContact NE2-NE2 2.97Å; Q84-A151 PolarHBondContact NE2-O 2.76Å
85L97.2Very high94.1Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-92.5120.1167.5-178.664.2000108.6Y33 Y35 L70 V87 A105 T106 I108 I169 F171Y33-L85 HydrophobicContact CD2-CD1 3.61Å; Y33-L85 HydrophobicContact CG-CD1 4.16Å; Y35-L85 HydrophobicContact CD1-CB 4.41Å; Y35-L85 HydrophobicContact CD1-CD1 4.15Å; Y35-L85 HydrophobicContact CE1-CB 4.27Å; Y35-L85 HydrophobicContact CE1-CD1 3.84Å; L70-L85 HydrophobicContact CD1-CD2 3.62Å; L85-V87 HydrophobicContact CD2-CG1 4.47Å; L85-V87 HydrophobicContact CG-CG1 4.25Å; L85-A105 CarbonylContact O-C 3.48Å; L85-A105 WeakPolarHBondContact O-CA 3.47Å; L85-T106 PolarHBondContact N-O 3.46Å; L85-T106 PolarHBondContact O-N 3.39Å; L85-I108 HydrophobicContact CB-CD1 3.93Å; L85-I169 HydrophobicContact CD2-CD1 3.42Å; L85-I169 VanDerWaalsContact CD2-CD1 3.42Å; L85-I169 HydrophobicContact CD2-CG2 4.15Å; L85-I169 HydrophobicContact CG-CD1 4.43Å; L85-F171 HydrophobicContact CB-CZ 4.39Å; L85-F171 HydrophobicContact CD2-CE1 3.87Å; L85-F171 HydrophobicContact CD2-CZ 3.76Å
86V96.6Very high93.3Very high1 Ų135.9 Ų35.91%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-101134.5172.4-177.30000108.3Y33 C34 V36 A105 A151Y33-V86 CarbonylContact C-O 3.53Å; Y33-V86 WeakPolarHBondContact CA-O 3.37Å; C34-V86 PolarHBondContact N-O 3.48Å; C34-V86 PolarHBondContact O-N 3.08Å; V36-V86 HydrophobicContact CB-CG2 4.42Å; V36-V86 HydrophobicContact CG2-CG2 3.71Å; V86-A105 HydrophobicContact CG2-CB 4.05Å; V86-A151 HydrophobicContact CG2-CB 3.98Å
87V96.1Very high92.7Very high0 Ų040.3 Ų40.30%025%0.246CC..EExtended strand (participates in β ladder)trans-125.7139.4178.2-68.40000110.7I18 K32 L85 G104 I119 M121 I169I18-V87 HydrophobicContact CD1-CG1 4.44Å; K32-V87 CarbonylContact O-C 3.53Å; K32-V87 WeakPolarHBondContact O-CA 3.17Å; L85-V87 HydrophobicContact CD2-CG1 4.47Å; L85-V87 HydrophobicContact CG-CG1 4.25Å; V87-G104 WeakPolarHBondContact CG2-O 3.42Å; V87-G104 PolarHBondContact N-O 2.78Å; V87-G104 PolarHBondContact O-N 3.43Å; V87-G104 VanDerWaalsContact O-O 3.13Å; V87-I119 HydrophobicContact CG2-CD1 4.03Å; V87-I119 HydrophobicContact CG2-CG2 4.41Å; V87-M121 HydrophobicContact CG2-CE 4.03Å; V87-M121 HydrophobicContact CG2-SD 3.95Å; V87-I169 HydrophobicContact CG1-CD1 4Å
88S95.8Very high92.2Very high7 Ų741.6 Ų41.65%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-131.8117.6178.1-57.40000108.7C31 K32 Y90 G102 Y103C31-S88 CarbonylContact C-O 3.59Å; C31-S88 WeakPolarHBondContact CA-O 3.21Å; K32-S88 PolarHBondContact N-O 2.83Å; K32-S88 PolarHBondContact O-N 3Å; S88-Y90 WeakPolarHBondContact O-CD2 3.38Å; S88-G102 WeakPolarHBondContact CA-O 3.4Å; S88-Y103 VanDerWaalsContact OG-CD1 3.24Å; S88-Y103 WeakPolarHBondContact OG-CD1 3.44Å; S88-Y103 WeakPolarHBondContact OG-CE1 3.41Å
89V96.4Very high91.9Very high0 Ų041.6 Ų41.60%025%0.253CS..EExtended strand (participates in β ladder)trans-99.8131.8-178.3177.90000109.6F23 L29 Y30 C31 W66 R101 G102 M121 V167F23-V89 HydrophobicContact CE2-CB 4.13Å; F23-V89 HydrophobicContact CE2-CG1 3.87Å; F23-V89 HydrophobicContact CE2-CG2 3.99Å; F23-V89 HydrophobicContact CZ-CB 3.87Å; F23-V89 HydrophobicContact CZ-CG1 3.95Å; F23-V89 HydrophobicContact CZ-CG2 4.01Å; L29-V89 HydrophobicContact CB-CG1 3.94Å; L29-V89 HydrophobicContact CD1-CG1 3.67Å; L29-V89 HydrophobicContact CG-CG1 4.27Å; Y30-V89 WeakPolarHBondContact O-CA 3.26Å; C31-V89 HydrophobicContact CB-CG2 4.31Å; W66-V89 HydrophobicContact CH2-CG1 4.11Å; W66-V89 HydrophobicContact CH2-CG2 4Å; W66-V89 HydrophobicContact CZ2-CG1 4.45Å; V89-R101 HydrophobicContact CG1-CB 4.46Å; V89-R101 PolarHBondContact O-N 3.44Å; V89-G102 PolarHBondContact N-O 3.09Å; V89-G102 PolarHBondContact O-N 3.24Å; V89-M121 HydrophobicContact CB-CE 4.43Å; V89-M121 HydrophobicContact CG2-CE 3.86Å; V89-V167 HydrophobicContact CG2-CG2 3.79Å
90Y95.4Very high91.7Very high15 Ų1540.8 Ų40.86%0.05925%0.247CC..EExtended strand (participates in β ladder)trans-121.6152.7-177.6-67.3-103.4000110.3L29 Y30 K32 S88 V99 V100L29-Y90 VanDerWaalsContact CA-O 3.26Å; L29-Y90 WeakPolarHBondContact CA-O 3.27Å; L29-Y90 WeakPolarHBondContact CD2-O 3.3Å; Y30-Y90 VanDerWaalsContact CE1-CB 3.41Å; Y30-Y90 HydrophobicContact CE1-CG 4.33Å; Y30-Y90 AromaticContact CE2-CD2 3.89Å; Y30-Y90 HydrophobicContact CE2-CD2 3.89Å; Y30-Y90 AromaticContact CE2-CG 3.96Å; Y30-Y90 HydrophobicContact CE2-CG 3.96Å; Y30-Y90 AromaticContact CZ-CG 3.74Å; Y30-Y90 PolarHBondContact N-O 3.15Å; Y30-Y90 PolarHBondContact O-N 3.47Å; K32-Y90 HydrophobicContact CB-CE2 4.16Å; K32-Y90 HydrophobicContact CD-CD2 4.14Å; K32-Y90 HydrophobicContact CD-CE2 3.51Å; K32-Y90 HydrophobicContact CG-CD2 3.93Å; K32-Y90 HydrophobicContact CG-CE2 3.65Å; S88-Y90 WeakPolarHBondContact O-CD2 3.38Å; Y90-V99 WeakPolarHBondContact CA-O 3.33Å; Y90-V100 HydrophobicContact CD1-CG2 3.82Å; Y90-V100 HydrophobicContact CE1-CB 4.44Å; Y90-V100 HydrophobicContact CE1-CG2 3.28Å; Y90-V100 HydrophobicContact CE2-CG2 4.45Å
91G94.4Very high91.7Very high0 Ų038.4 Ų38.40%023%0.226CC..EExtended strand (participates in β ladder)trans-169.9169.8170.500000112.7V99 R101G91-V99 PolarHBondContact N-O 2.89Å; G91-V99 PolarHBondContact O-N 2.83Å; G91-R101 PolarHBondContact O-NE 3.2Å
92P91.9Very high91.6Very high48 Ų4836.7 Ų36.731%0.31221%0.207SC..EExtended strand (participates in β ladder)trans-70.3137.4-168.128-35.6000112.1N28 N97 R101N28-P92 HydrophobicContact CB-CG 4.16Å; N28-P92 WeakPolarHBondContact O-CD 3.3Å; P92-N97 CarbonylContact C-O 3.5Å; P92-N97 WeakPolarHBondContact CA-O 3.49Å; P92-R101 PolarHBondContact O-NH2 3.39Å
93D87.7Confident91.4Very high41 Ų4136.3 Ų36.322%0.21921%0.206CC..  trans-80.8-176.8165.779.1-1.5000112.3F95 G96 N97 V99D93-F95 PolarHBondContact O-N 2.85Å; D93-F95 VanDerWaalsContact O-N 3.11Å; D93-F95 VanDerWaalsContact OD1-C 3.31Å; D93-F95 VanDerWaalsContact OD1-CA 3.31Å; D93-F95 WeakPolarHBondContact OD1-CA 3.46Å; D93-F95 WeakPolarHBondContact OD1-CB 3.36Å; D93-F95 PolarHBondContact OD1-N 3.32Å; D93-G96 PolarHBondContact O-N 3.32Å; D93-G96 PolarHBondContact OD1-N 2.9Å; D93-N97 PolarHBondContact N-O 2.82Å; D93-N97 PolarHBondContact OD1-N 3.02Å; D93-N97 PolarHBondContact OD1-ND2 2.86Å; D93-V99 HydrophobicContact CB-CG1 4.18Å; D93-V99 HydrophobicContact CB-CG2 4.04Å
94V82.8Confident91.2Very high141 Ų14136.3 Ų36.386%0.85521%0.206SC*.THydrogen-bonded Turntrans-60.5-21.4-179.6-176.90000112.2
95F85.3Confident91.1Very high128 Ų12836.2 Ų36.256%0.56121%0.211SC*.THydrogen-bonded Turntrans-99.94.4178.7-55.1-74.3000112.6D93 N97 W136D93-F95 PolarHBondContact O-N 2.85Å; D93-F95 VanDerWaalsContact O-N 3.11Å; D93-F95 VanDerWaalsContact OD1-C 3.31Å; D93-F95 VanDerWaalsContact OD1-CA 3.31Å; D93-F95 WeakPolarHBondContact OD1-CA 3.46Å; D93-F95 WeakPolarHBondContact OD1-CB 3.36Å; D93-F95 PolarHBondContact OD1-N 3.32Å; F95-N97 VanDerWaalsContact C-N 3.33Å; F95-W136 AromaticContact CD2-NE1 3.75Å; F95-W136 HydrophobicContact CE1-CZ2 4.26Å; F95-W136 AromaticContact CE2-CE2 3.76Å; F95-W136 AromaticContact CE2-CZ2 3.61Å; F95-W136 HydrophobicContact CE2-CZ2 3.61Å; F95-W136 AromaticContact CE2-NE1 3.34Å; F95-W136 VanDerWaalsContact CE2-NE1 3.34Å; F95-W136 HydrophobicContact CZ-CH2 4.47Å; F95-W136 AromaticContact CZ-CZ2 3.42Å; F95-W136 HydrophobicContact CZ-CZ2 3.42Å; F95-W136 VanDerWaalsContact CZ-CZ2 3.42Å
96G81.4Confident91.1Very high52 Ų5237.6 Ų37.654%0.53622%0.219SC..SBendtrans799.7-17900000114.7D93D93-G96 PolarHBondContact O-N 3.32Å; D93-G96 PolarHBondContact OD1-N 2.9Å
97N84.1Confident91.1Very high94 Ų9441.7 Ų41.750%0.50324%0.238SC..  trans-81.3137.4174.9-55.9-66.4000110.2P92 D93 F95 V99P92-N97 CarbonylContact C-O 3.5Å; P92-N97 WeakPolarHBondContact CA-O 3.49Å; D93-N97 PolarHBondContact N-O 2.82Å; D93-N97 PolarHBondContact OD1-N 3.02Å; D93-N97 PolarHBondContact OD1-ND2 2.86Å; F95-N97 VanDerWaalsContact C-N 3.33Å; N97-V99 PolarHBondContact O-N 2.85Å
98D84.8Confident91.2Very high84 Ų8441.7 Ų41.745%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-71118.9173.6-74.8-28.3000110.9Y30Y30-D98 HydrophobicContact CE1-CB 4.34Å; Y30-D98 WeakPolarHBondContact CE1-OD2 3.31Å
99V88.4Confident91.2Very high47 Ų4741.6 Ų41.629%0.28524%0.237SC..EExtended strand (participates in β ladder)trans-126.1153.9177.2-580000110.7Y90 G91 D93 N97 R101Y90-V99 WeakPolarHBondContact CA-O 3.33Å; G91-V99 PolarHBondContact N-O 2.89Å; G91-V99 PolarHBondContact O-N 2.83Å; D93-V99 HydrophobicContact CB-CG1 4.18Å; D93-V99 HydrophobicContact CB-CG2 4.04Å; N97-V99 PolarHBondContact O-N 2.85Å; V99-R101 VanDerWaalsContact CG2-NH2 3.35Å; V99-R101 PolarHBondContact O-N 3.05Å
100V89.3Confident91Very high31 Ų3147 Ų4719%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-68.5127.7-179.9-177.50000110.5Y90 Y103Y90-V100 HydrophobicContact CD1-CG2 3.82Å; Y90-V100 HydrophobicContact CE1-CB 4.44Å; Y90-V100 HydrophobicContact CE1-CG2 3.28Å; Y90-V100 HydrophobicContact CE2-CG2 4.45Å; V100-Y103 HydrophobicContact CB-CE2 4.26Å; V100-Y103 HydrophobicContact CG1-CD2 3.94Å; V100-Y103 HydrophobicContact CG1-CE1 4.11Å; V100-Y103 HydrophobicContact CG1-CE2 3.49Å; V100-Y103 VanDerWaalsContact CG1-CE2 3.49Å; V100-Y103 HydrophobicContact CG1-CG 4.44Å; V100-Y103 HydrophobicContact CG2-CE2 4.42Å; V100-Y103 VanDerWaalsContact CG2-OH 3.31Å; V100-Y103 WeakPolarHBondContact CG2-OH 3.47Å
101R92.8Very high90.9Very high32 Ų3248.9 Ų48.912%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-102.2-16175.8-54.5-51.7-175.7178.10.6112.9F23 Y26 L29 V89 G91 P92 V99 V123 Q164F23-R101 HydrophobicContact CD1-CB 4.46Å; F23-R101 HydrophobicContact CE1-CB 4.19Å; F23-R101 WeakPolarHBondContact CE1-O 3.17Å; Y26-R101 HydrophobicContact CD1-CG 4.29Å; Y26-R101 HydrophobicContact CD2-CB 4.46Å; Y26-R101 VanDerWaalsContact CE1-CZ 3.5Å; Y26-R101 HydrophobicContact CG-CG 4.23Å; L29-R101 HydrophobicContact CD2-CG 4Å; V89-R101 HydrophobicContact CG1-CB 4.46Å; V89-R101 PolarHBondContact O-N 3.44Å; G91-R101 PolarHBondContact O-NE 3.2Å; P92-R101 PolarHBondContact O-NH2 3.39Å; V99-R101 VanDerWaalsContact CG2-NH2 3.35Å; V99-R101 PolarHBondContact O-N 3.05Å; R101-V123 WeakPolarHBondContact O-CG2 3.29Å; R101-Q164 WeakPolarHBondContact O-CB 3.4Å; R101-Q164 VanDerWaalsContact O-CD 3.27Å; R101-Q164 PolarHBondContact O-OE1 2.87Å
102G91.9Very high91Very high0 Ų051.3 Ų51.30%029%0.29CS..EExtended strand (participates in β ladder)trans-178.9141.9178.800000112.6S88 V89 M121S88-G102 WeakPolarHBondContact CA-O 3.4Å; V89-G102 PolarHBondContact N-O 3.09Å; V89-G102 PolarHBondContact O-N 3.24Å; G102-M121 VanDerWaalsContact C-CE 3.42Å; G102-M121 VanDerWaalsContact O-CE 3.26Å; G102-M121 WeakPolarHBondContact O-CE 3.08Å
103Y91.9Very high91.2Very high10 Ų1050.1 Ų50.14%0.03929%0.287CS..EExtended strand (participates in β ladder)trans-107.3148.1162.3-65.3-75.4000110S88 V100 M121 F122 Y144 P147 V150S88-Y103 VanDerWaalsContact OG-CD1 3.24Å; S88-Y103 WeakPolarHBondContact OG-CD1 3.44Å; S88-Y103 WeakPolarHBondContact OG-CE1 3.41Å; V100-Y103 HydrophobicContact CB-CE2 4.26Å; V100-Y103 HydrophobicContact CG1-CD2 3.94Å; V100-Y103 HydrophobicContact CG1-CE1 4.11Å; V100-Y103 HydrophobicContact CG1-CE2 3.49Å; V100-Y103 VanDerWaalsContact CG1-CE2 3.49Å; V100-Y103 HydrophobicContact CG1-CG 4.44Å; V100-Y103 HydrophobicContact CG2-CE2 4.42Å; V100-Y103 VanDerWaalsContact CG2-OH 3.31Å; V100-Y103 WeakPolarHBondContact CG2-OH 3.47Å; Y103-M121 VanDerWaalsContact C-CE 3.41Å; Y103-M121 WeakPolarHBondContact O-CA 3.26Å; Y103-F122 PolarHBondContact N-O 3.37Å; Y103-F122 WeakPolarHBondContact O-CD1 3.42Å; Y103-F122 WeakPolarHBondContact O-CE1 3.31Å; Y103-F122 PolarHBondContact O-N 2.91Å; Y103-Y144 HydrophobicContact CD2-CD2 4.38Å; Y103-Y144 HydrophobicContact CD2-CE2 4.17Å; Y103-Y144 AromaticContact CE2-CD2 3.42Å; Y103-Y144 HydrophobicContact CE2-CD2 3.42Å; Y103-Y144 VanDerWaalsContact CE2-CD2 3.42Å; Y103-Y144 AromaticContact CE2-CE2 3.51Å; Y103-Y144 HydrophobicContact CE2-CE2 3.51Å; Y103-Y144 AromaticContact CZ-CD2 3.52Å; Y103-Y144 WeakPolarHBondContact OH-CD2 2.98Å; Y103-P147 HydrophobicContact CE1-CB 4.49Å; Y103-V150 HydrophobicContact CG-CG2 4.32Å
104G93.3Very high91.6Very high0 Ų056.3 Ų56.30%031%0.314CS..EExtended strand (participates in β ladder)trans-156.9157.1174.800000110.3V87V87-G104 WeakPolarHBondContact CG2-O 3.42Å; V87-G104 PolarHBondContact N-O 2.78Å; V87-G104 PolarHBondContact O-N 3.43Å; V87-G104 VanDerWaalsContact O-O 3.13Å
105A95.4Very high92.3Very high30 Ų3051 Ų5125%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-148.5155.5171.900000111L85 V86 V150L85-A105 CarbonylContact O-C 3.48Å; L85-A105 WeakPolarHBondContact O-CA 3.47Å; V86-A105 HydrophobicContact CG2-CB 4.05Å; A105-V150 HydrophobicContact CB-CG1 3.69Å
106T96.6Very high92.9Very high28 Ų2850.1 Ų50.117%0.17228%0.28CS..EExtended strand (participates in β ladder)trans-146.7148172.2-160.70000110.3Q84 L85 R117 I119 F171Q84-T106 CarbonylContact C-O 3.44Å; Q84-T106 VanDerWaalsContact CA-O 3.32Å; Q84-T106 WeakPolarHBondContact CA-O 3.45Å; L85-T106 PolarHBondContact N-O 3.46Å; L85-T106 PolarHBondContact O-N 3.39Å; T106-R117 HydrophobicContact CG2-CB 4.48Å; T106-I119 HydrophobicContact CG2-CD1 3.56Å; T106-I119 HydrophobicContact CG2-CG1 4.1Å; T106-F171 HydrophobicContact CG2-CE2 4.02Å; T106-F171 HydrophobicContact CG2-CZ 3.9Å
107H96.9Very high93.7Very high88 Ų8852 Ų5241%0.40727%0.271SS..EExtended strand (participates in β ladder)trans-70.3143.4171-73.878.9000110Q84Q84-H107 VanDerWaalsContact CG-CD2 3.5Å; Q84-H107 WeakPolarHBondContact CG-CD2 3.36Å; Q84-H107 PolarHBondContact NE2-CE1 2.95Å; Q84-H107 PolarHBondContact NE2-NE2 2.97Å
108I97.9Very high94.4Very high0 Ų051.5 Ų51.50%027%0.271CS..PPolyproline II helixtrans-61.8136169.4-58.8-49.3000108.8L12 V14 Y35 W82 P83 L85 F110 F171 I173L12-I108 HydrophobicContact CD2-CG2 4.18Å; V14-I108 HydrophobicContact CG1-CD1 4.02Å; V14-I108 HydrophobicContact CG1-CG2 4.24Å; V14-I108 HydrophobicContact CG2-CG1 4.31Å; V14-I108 HydrophobicContact CG2-CG2 3.64Å; Y35-I108 HydrophobicContact CD1-CD1 4.25Å; Y35-I108 HydrophobicContact CE1-CD1 3.8Å; Y35-I108 HydrophobicContact CE1-CG1 4.41Å; W82-I108 PolarHBondContact NE1-O 3.44Å; P83-I108 HydrophobicContact CB-CG1 3.93Å; P83-I108 WeakPolarHBondContact O-CG1 3.43Å; P83-I108 PolarHBondContact O-N 2.81Å; L85-I108 HydrophobicContact CB-CD1 3.93Å; I108-F110 PolarHBondContact O-N 3.45Å; I108-F171 HydrophobicContact CD1-CD1 4.3Å; I108-F171 HydrophobicContact CD1-CE1 3.6Å; I108-F171 HydrophobicContact CD1-CZ 4.09Å; I108-I173 HydrophobicContact CG2-CD1 3.59Å; I108-I173 HydrophobicContact CG2-CG1 4.42Å
109P96.9Very high94.9Very high4 Ų447.6 Ų47.63%0.02625%0.251CS..PPolyproline II helixtrans-57.4138.2178.9-20.628.4000112.4H115 F171 I173P109-H115 HydrophobicContact CB-CB 4.22Å; P109-H115 VanDerWaalsContact CB-CD2 3.45Å; P109-H115 WeakPolarHBondContact CB-CD2 3.45Å; P109-H115 HydrophobicContact CG-CB 3.61Å; P109-H115 VanDerWaalsContact CG-CG 3.49Å; P109-F171 HydrophobicContact CG-CB 4.1Å; P109-F171 HydrophobicContact CG-CD2 4.02Å; P109-F171 HydrophobicContact CG-CG 4.16Å; P109-I173 HydrophobicContact CB-CG1 3.93Å; P109-I173 HydrophobicContact CG-CG1 3.97Å
110F92.3Very high95.3Very high114 Ų11448.8 Ų48.850%0.526%0.259SS..SBendtrans-80.4-17.5-177.1-60.9-84.7000113.7W82 I108W82-F110 HydrophobicContact CB-CE1 3.84Å; W82-F110 HydrophobicContact CB-CZ 4.36Å; W82-F110 AromaticContact CD1-CE1 3.42Å; W82-F110 VanDerWaalsContact CD1-CE1 3.42Å; W82-F110 AromaticContact CD1-CZ 3.74Å; W82-F110 AromaticContact CD2-CD1 3.51Å; W82-F110 HydrophobicContact CD2-CD1 3.51Å; W82-F110 AromaticContact CD2-CE1 3.32Å; W82-F110 HydrophobicContact CD2-CE1 3.32Å; W82-F110 HydrophobicContact CD2-CZ 4.36Å; W82-F110 AromaticContact CE2-CD1 3.42Å; W82-F110 VanDerWaalsContact CE2-CD1 3.42Å; W82-F110 AromaticContact CE2-CE1 3.61Å; W82-F110 AromaticContact CE3-CD1 3.87Å; W82-F110 HydrophobicContact CE3-CD1 3.87Å; W82-F110 AromaticContact CE3-CE1 3.89Å; W82-F110 HydrophobicContact CE3-CE1 3.89Å; W82-F110 AromaticContact CG-CD1 3.94Å; W82-F110 HydrophobicContact CG-CD1 3.94Å; W82-F110 AromaticContact CG-CE1 3.24Å; W82-F110 HydrophobicContact CG-CE1 3.24Å; W82-F110 AromaticContact CG-CZ 3.91Å; W82-F110 HydrophobicContact CG-CZ 3.91Å; W82-F110 HydrophobicContact CH2-CD1 4.17Å; W82-F110 AromaticContact CZ2-CD1 3.78Å; W82-F110 HydrophobicContact CZ2-CD1 3.78Å; W82-F110 HydrophobicContact CZ2-CE1 4.41Å; W82-F110 HydrophobicContact CZ2-CG 4.41Å; W82-F110 HydrophobicContact CZ3-CD1 4.19Å; W82-F110 AromaticContact NE1-CD1 3.7Å; W82-F110 AromaticContact NE1-CE1 3.59Å; I108-F110 PolarHBondContact O-N 3.45Å
111T93.6Very high95.5Very high55 Ų5547.3 Ų47.334%0.33725%0.25SS..SBendtrans-106.8139.2-177.458.40000110.9H115T111-H115 PolarHBondContact O-NE2 2.72Å; T111-H115 PolarHBondContact OG1-CE1 2.89Å; T111-H115 PolarHBondContact OG1-NE2 2.98Å
112P95.7Very high95.3Very high50 Ų5048.9 Ų48.933%0.32526%0.258SS..SBendtrans-58.5151.8172-24.735.5000112.5I173 T175 T185P112-I173 CarbonylContact C-O 3.56Å; P112-I173 WeakPolarHBondContact CA-O 3.18Å; P112-T175 HydrophobicContact CG-CG2 3.97Å; P112-T175 VanDerWaalsContact CG-OG1 3.29Å; P112-T175 WeakPolarHBondContact CG-OG1 3.45Å; P112-T185 WeakPolarHBondContact CD-O 3.39Å
113G95.6Very high94.9Very high24 Ų2449.9 Ų49.925%0.24726%0.264CS..EExtended strand (participates in β ladder)trans114.9-169.1179.400000113.3H115 H172 I173G113-H115 PolarHBondContact O-CD2 3.4Å; G113-H115 VanDerWaalsContact O-CD2 3.29Å; G113-H172 WeakPolarHBondContact O-CA 3.45Å; G113-I173 PolarHBondContact N-O 3.13Å; G113-I173 PolarHBondContact O-N 3.45Å
114Q96.9Very high94.1Very high171 Ų17151.2 Ų51.280%0.79927%0.274SS*.EExtended strand (participates in β ladder)trans-89.3135.3-176.9-67.8-179.3-16.800111.5F171Q114-F171 CarbonylContact C-O 3.59Å; Q114-F171 VanDerWaalsContact CA-O 3.31Å; Q114-F171 WeakPolarHBondContact CA-O 3.22Å
115H97.7Very high92.5Very high29 Ų2953.2 Ų53.213%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-137.7138.3179.1-60.5-94.5000110.3P109 T111 G113 S170 F171P109-H115 HydrophobicContact CB-CB 4.22Å; P109-H115 VanDerWaalsContact CB-CD2 3.45Å; P109-H115 WeakPolarHBondContact CB-CD2 3.45Å; P109-H115 HydrophobicContact CG-CB 3.61Å; P109-H115 VanDerWaalsContact CG-CG 3.49Å; T111-H115 PolarHBondContact O-NE2 2.72Å; T111-H115 PolarHBondContact OG1-CE1 2.89Å; T111-H115 PolarHBondContact OG1-NE2 2.98Å; G113-H115 PolarHBondContact O-CD2 3.4Å; G113-H115 VanDerWaalsContact O-CD2 3.29Å; H115-S170 CarbonylContact O-C 3.48Å; H115-S170 WeakPolarHBondContact O-CA 3.21Å; H115-F171 HydrophobicContact CB-CB 4.28Å; H115-F171 PolarHBondContact N-O 3.03Å; H115-F171 PolarHBondContact O-N 2.98Å
116I98.3Very high90.4Very high110 Ų11055 Ų5556%0.56429%0.293SS*.EExtended strand (participates in β ladder)trans-108.2135.1167.8-60.9174.1000108T168 I169I116-T168 HydrophobicContact CG2-CG2 3.85Å; I116-I169 WeakPolarHBondContact CA-O 3.45Å
117R97.9Very high87.9Confident90 Ų9060 Ų6034%0.3432%0.323SS..EExtended strand (participates in β ladder)trans-128131.8174.9-65.9-65.8179.9-96.9-1.4109.6T106 T168 I169 F171T106-R117 HydrophobicContact CG2-CB 4.48Å; R117-T168 WeakPolarHBondContact O-CA 3.2Å; R117-I169 PolarHBondContact N-O 2.91Å; R117-I169 PolarHBondContact O-N 2.87Å; R117-F171 HydrophobicContact CB-CD2 4.49Å; R117-F171 HydrophobicContact CB-CE2 4Å; R117-F171 HydrophobicContact CG-CD2 4.04Å; R117-F171 HydrophobicContact CG-CE2 3.8Å
118T97.8Very high85.5Confident84 Ų8463.8 Ų63.852%0.51533%0.334SS..EExtended strand (participates in β ladder)trans-107.1110.7171.9-590000107.8F166 V167T118-F166 HydrophobicContact CG2-CB 3.74Å; T118-F166 HydrophobicContact CG2-CD1 3.82Å; T118-F166 HydrophobicContact CG2-CG 4.05Å; T118-V167 CarbonylContact C-O 3.49Å; T118-V167 WeakPolarHBondContact CA-O 3.44Å
119I96.4Very high83.2Confident3 Ų374.7 Ų74.72%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-92.2120-176.4-53-176.3000108.5V87 T106 M121 F166 V167 I169V87-I119 HydrophobicContact CG2-CD1 4.03Å; V87-I119 HydrophobicContact CG2-CG2 4.41Å; T106-I119 HydrophobicContact CG2-CD1 3.56Å; T106-I119 HydrophobicContact CG2-CG1 4.1Å; I119-M121 HydrophobicContact CB-SD 4.49Å; I119-M121 HydrophobicContact CG2-SD 4.16Å; I119-F166 CarbonylContact O-C 3.52Å; I119-F166 VanDerWaalsContact O-CA 3.27Å; I119-F166 WeakPolarHBondContact O-CA 3.48Å; I119-V167 PolarHBondContact N-O 2.8Å; I119-V167 PolarHBondContact O-N 2.88Å; I119-I169 HydrophobicContact CD1-CD1 3.47Å; I119-I169 VanDerWaalsContact CD1-CD1 3.47Å; I119-I169 HydrophobicContact CD1-CG1 4.22Å; I119-I169 HydrophobicContact CG1-CD1 4.39Å
120P95.6Very high80.7Confident72 Ų7280 Ų8047%0.46840%0.403SS..EExtended strand (participates in β ladder)trans-68.8134171.129.3-33000110F166P120-F166 HydrophobicContact CB-CD1 4.14Å; P120-F166 HydrophobicContact CB-CE1 3.95Å
121M94.1Very high78.6Confident0 Ų081.7 Ų81.70%041%0.412CS..EExtended strand (participates in β ladder)trans-103.8127.8-175.6-57.8-57.7-61.900110.1F23 V87 V89 G102 Y103 I119 S163 Q164 G165 V167F23-M121 HydrophobicContact CE1-CB 3.95Å; F23-M121 HydrophobicContact CE1-CG 4.4Å; F23-M121 HydrophobicContact CE2-CG 4.12Å; F23-M121 HydrophobicContact CZ-CB 3.6Å; F23-M121 HydrophobicContact CZ-CE 4.4Å; F23-M121 HydrophobicContact CZ-CG 3.58Å; V87-M121 HydrophobicContact CG2-CE 4.03Å; V87-M121 HydrophobicContact CG2-SD 3.95Å; V89-M121 HydrophobicContact CB-CE 4.43Å; V89-M121 HydrophobicContact CG2-CE 3.86Å; G102-M121 VanDerWaalsContact C-CE 3.42Å; G102-M121 VanDerWaalsContact O-CE 3.26Å; G102-M121 WeakPolarHBondContact O-CE 3.08Å; Y103-M121 VanDerWaalsContact C-CE 3.41Å; Y103-M121 WeakPolarHBondContact O-CA 3.26Å; I119-M121 HydrophobicContact CB-SD 4.49Å; I119-M121 HydrophobicContact CG2-SD 4.16Å; M121-S163 WeakPolarHBondContact O-CA 3.35Å; M121-Q164 PolarHBondContact O-N 3.49Å; M121-G165 WeakPolarHBondContact CB-O 3.37Å; M121-G165 PolarHBondContact N-O 3.02Å; M121-V167 HydrophobicContact CE-CG2 4.08Å; M121-V167 HydrophobicContact CG-CB 4.43Å; M121-V167 HydrophobicContact CG-CG2 3.78Å; M121-V167 HydrophobicContact SD-CB 3.99Å; M121-V167 HydrophobicContact SD-CG2 3.52Å; M121-V167 VanDerWaalsContact SD-CG2 3.52Å
122F88.3Confident76.3Confident64 Ų6484.8 Ų84.828%0.28142%0.421SS..EExtended strand (participates in β ladder)trans-128.4150.6-175.958.5-91.5000112.2Y103 V150 V161 R162Y103-F122 PolarHBondContact N-O 3.37Å; Y103-F122 WeakPolarHBondContact O-CD1 3.42Å; Y103-F122 WeakPolarHBondContact O-CE1 3.31Å; Y103-F122 PolarHBondContact O-N 2.91Å; F122-V150 HydrophobicContact CE1-CG1 4.38Å; F122-V150 HydrophobicContact CE2-CG2 4.32Å; F122-V150 HydrophobicContact CZ-CG1 3.7Å; F122-V150 HydrophobicContact CZ-CG2 4.11Å; F122-V161 HydrophobicContact CB-CB 4.24Å; F122-V161 HydrophobicContact CD2-CG1 4.13Å; F122-R162 VanDerWaalsContact CA-O 3.31Å; F122-R162 WeakPolarHBondContact CA-O 3.35Å
123V84.9Confident73.7Confident22 Ų2288.3 Ų88.313%0.13343%0.432CS..EExtended strand (participates in β ladder)trans-127.9137.8174.5-167.10000108R101 E125 R162 Q164R101-V123 WeakPolarHBondContact O-CG2 3.29Å; V123-E125 PolarHBondContact O-N 2.96Å; V123-R162 PolarHBondContact N-O 3.04Å; V123-R162 PolarHBondContact O-N 2.95Å; V123-Q164 HydrophobicContact CB-CG 4.47Å; V123-Q164 HydrophobicContact CG2-CB 4.47Å; V123-Q164 HydrophobicContact CG2-CG 3.78Å
124P73.7Confident71Confident37 Ų3791.6 Ų91.624%0.2445%0.447CS..EExtended strand (participates in β ladder)trans-60.2132.317328.4-39.3000110.7P126 Y144P124-P126 WeakPolarHBondContact O-CD 3.37Å; P124-Y144 HydrophobicContact CG-CE2 3.81Å; P124-Y144 VanDerWaalsContact CG-OH 3.31Å; P124-Y144 WeakPolarHBondContact CG-OH 3.41Å
125E59.5Low68.2Low42 Ų4284 Ų8420%0.19642%0.415CS..PPolyproline II helixtrans-84.7119.2165.7-65.1-166.1141.900108.4V123 T127 R160 R162V123-E125 PolarHBondContact O-N 2.96Å; E125-T127 PolarHBondContact O-N 2.88Å; E125-R160 HydrophobicContact CB-CB 4.42Å; E125-R160 HydrophobicContact CB-CG 4.49Å; E125-R160 WeakPolarHBondContact CB-O 3.31Å; E125-R160 PolarHBondContact N-O 2.9Å; E125-R160 WeakPolarHBondContact OE2-CD 3.43Å; E125-R160 VanDerWaalsContact OE2-CG 3.3Å; E125-R160 WeakPolarHBondContact OE2-CG 3.41Å; E125-R160 IonicContact OE2-CZ 3.03Å; E125-R160 IonicContact OE2-NE 3.55Å; E125-R160 PolarHBondContact OE2-NE 2.83Å; E125-R160 IonicContact OE2-NH2 3.93Å; E125-R162 HydrophobicContact CG-CB 3.81Å; E125-R162 IonicContact OE1-CZ 2.8Å; E125-R162 VanDerWaalsContact OE1-CZ 3.23Å; E125-R162 IonicContact OE1-NE 3.59Å; E125-R162 PolarHBondContact OE1-NE 2.78Å; E125-R162 IonicContact OE1-NH2 3.97Å; E125-R162 PolarHBondContact OE1-NH2 3.28Å
126P51.8Low65.5Low69 Ų6988.7 Ų88.745%0.44843%0.431SS..PPolyproline II helixtrans-71.6131.9176.220.2-21.4000110.2P124 W128 K132P124-P126 WeakPolarHBondContact O-CD 3.37Å; P126-W128 PolarHBondContact O-N 2.76Å; P126-W128 VanDerWaalsContact O-N 3.09Å; P126-K132 HydrophobicContact CG-CD 3.75Å; P126-K132 HydrophobicContact CG-CG 4.26Å
127T44.9Very low62.6Low133 Ų13389.5 Ų89.582%0.81644%0.436SS*.SBendtrans-65.4-11-174.5-42.60000113.9E125E125-T127 PolarHBondContact O-N 2.88Å
128W46.4Very low59.9Low166 Ų16691.5 Ų91.563%0.62945%0.453SS*.  trans-152.4122.7-172.5168.1-103000112.8P126 L130P126-W128 PolarHBondContact O-N 2.76Å; P126-W128 VanDerWaalsContact O-N 3.09Å; W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 HydrophobicContact CD2-CB 4.29Å; W128-L130 HydrophobicContact CZ2-CB 3.63Å; W128-L130 HydrophobicContact CZ2-CD2 3.67Å; W128-L130 HydrophobicContact CZ2-CG 4.24Å; W128-L130 PolarHBondContact O-N 2.85Å
129R48.8Very low57.1Low229 Ų22991 Ų9186%0.86447%0.465SS*.THydrogen-bonded Turntrans-70-11.5-173.7-66.4-172.5179.4-173.90.3114.7
130L45.2Very low55Low115 Ų115101.6 Ų101.660%0.60251%0.505SS*.THydrogen-bonded Turntrans-87.2-26.6-176.8-132.369.7000113.7W128 K132 F133W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 HydrophobicContact CD2-CB 4.29Å; W128-L130 HydrophobicContact CZ2-CB 3.63Å; W128-L130 HydrophobicContact CZ2-CD2 3.67Å; W128-L130 HydrophobicContact CZ2-CG 4.24Å; W128-L130 PolarHBondContact O-N 2.85Å; L130-K132 PolarHBondContact O-N 2.79Å; L130-F133 PolarHBondContact O-N 2.81Å
131Q46.5Very low52.9Low151 Ų151103.1 Ų103.171%0.70650%0.501SS*.Hα-helixtrans-72.5-17.8171.7-99.9-168.3-13.700112.7F133 R141Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.29Å; Q131-R141 PolarHBondContact O-NH2 2.85Å
132K45.3Very low50.3Low119 Ų119108.5 Ų108.552%0.51754%0.536SS..Hα-helixtrans-73.2-12.6170.3-89.1177.7152.9166.30113.9P126 L130 W136 R141P126-K132 HydrophobicContact CG-CD 3.75Å; P126-K132 HydrophobicContact CG-CG 4.26Å; L130-K132 PolarHBondContact O-N 2.79Å; K132-W136 WeakPolarHBondContact O-CB 3.1Å; K132-R141 VanDerWaalsContact O-CZ 3.23Å; K132-R141 PolarHBondContact O-NH1 2.89Å; K132-R141 PolarHBondContact O-NH2 2.82Å
133F42.6Very low48.1Very low125 Ų125110.9 Ų110.955%0.54855%0.548SS..Hα-helixtrans-93.6-39.2178-150.3-102.8000113.6L130 Q131 W136 L137L130-F133 PolarHBondContact O-N 2.81Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.29Å; F133-W136 HydrophobicContact CD2-CE3 4.38Å; F133-W136 HydrophobicContact CE2-CE3 4.19Å; F133-W136 AromaticContact CE2-CZ3 3.96Å; F133-W136 HydrophobicContact CE2-CZ3 3.96Å; F133-W136 HydrophobicContact CZ-CZ3 4.26Å; F133-W136 PolarHBondContact O-N 2.82Å; F133-L137 PolarHBondContact O-N 3.22Å
134T38Very low46.1Very low92 Ų92114.3 Ų114.356%0.56456%0.559SS**Hα-helixtrans-72.8-38.1-169.845.60000116.8L138T134-L138 WeakPolarHBondContact O-CD1 3.41Å
135G39.4Very low44.7Very low13 Ų13119.8 Ų119.813%0.13459%0.592CS.*THydrogen-bonded Turntrans-87.8-8.317100000116.8L137 L138 G139 R141G135-L137 VanDerWaalsContact C-N 3.3Å; G135-L138 PolarHBondContact O-N 2.76Å; G135-G139 PolarHBondContact O-N 3.02Å; G135-R141 VanDerWaalsContact C-CG 3.43Å; G135-R141 VanDerWaalsContact C-NE 3.27Å; G135-R141 VanDerWaalsContact CA-NH2 3.31Å; G135-R141 VanDerWaalsContact N-CZ 3.33Å; G135-R141 WeakPolarHBondContact O-CG 3.15Å
136W39.7Very low43.9Very low126 Ų126121 Ų12148%0.47760%0.6SS.*THydrogen-bonded Turntrans-75.7-33.8173.9172.369000107.9F95 K132 F133F95-W136 AromaticContact CD2-NE1 3.75Å; F95-W136 HydrophobicContact CE1-CZ2 4.26Å; F95-W136 AromaticContact CE2-CE2 3.76Å; F95-W136 AromaticContact CE2-CZ2 3.61Å; F95-W136 HydrophobicContact CE2-CZ2 3.61Å; F95-W136 AromaticContact CE2-NE1 3.34Å; F95-W136 VanDerWaalsContact CE2-NE1 3.34Å; F95-W136 HydrophobicContact CZ-CH2 4.47Å; F95-W136 AromaticContact CZ-CZ2 3.42Å; F95-W136 HydrophobicContact CZ-CZ2 3.42Å; F95-W136 VanDerWaalsContact CZ-CZ2 3.42Å; K132-W136 WeakPolarHBondContact O-CB 3.1Å; F133-W136 HydrophobicContact CD2-CE3 4.38Å; F133-W136 HydrophobicContact CE2-CE3 4.19Å; F133-W136 AromaticContact CE2-CZ3 3.96Å; F133-W136 HydrophobicContact CE2-CZ3 3.96Å; F133-W136 HydrophobicContact CZ-CZ3 4.26Å; F133-W136 PolarHBondContact O-N 2.82Å
137L37.2Very low43.9Very low128 Ų128119.9 Ų119.967%0.6759%0.593SS**THydrogen-bonded Turntrans-73.2-23172-157.874.2000113.8F133 G135F133-L137 PolarHBondContact O-N 3.22Å; G135-L137 VanDerWaalsContact C-N 3.3Å
138L42Very low44.1Very low132 Ų132117.8 Ų117.869%0.69157%0.572SS**THydrogen-bonded Turntrans-102.85.8-175.7-91.990000115.1T134 G135 R140T134-L138 WeakPolarHBondContact O-CD1 3.41Å; G135-L138 PolarHBondContact O-N 2.76Å; L138-R140 PolarHBondContact O-N 2.88Å
139G38.2Very low44.5Very low74 Ų74113.4 Ų113.476%0.76356%0.563SS**THydrogen-bonded Turntrans6214172.300000115.6G135G135-G139 PolarHBondContact O-N 3.02Å
140R53.3Low44.7Very low225 Ų225104 Ų10485%0.84953%0.531SS*.  trans-135103.2176.2-83.6-175.9166.5-176-3.6108L138L138-R140 PolarHBondContact O-N 2.88Å
141R50Low45.1Very low103 Ų10399.2 Ų99.239%0.38951%0.508SS..  trans-131.2141.1177.1-83.8-92.7-179.875.4-2.8111Q131 K132 G135 E143Q131-R141 PolarHBondContact O-NH2 2.85Å; K132-R141 VanDerWaalsContact O-CZ 3.23Å; K132-R141 PolarHBondContact O-NH1 2.89Å; K132-R141 PolarHBondContact O-NH2 2.82Å; G135-R141 VanDerWaalsContact C-CG 3.43Å; G135-R141 VanDerWaalsContact C-NE 3.27Å; G135-R141 VanDerWaalsContact CA-NH2 3.31Å; G135-R141 VanDerWaalsContact N-CZ 3.33Å; G135-R141 WeakPolarHBondContact O-CG 3.15Å; R141-E143 PolarHBondContact O-N 2.71Å
142P40.5Very low45.3Very low114 Ų11497.7 Ų97.774%0.7450%0.501SS*.PPolyproline II helixtrans-79.2122-153.531.7-33.5000110.9
143E42.7Very low45.3Very low114 Ų11493.7 Ų93.753%0.53349%0.494SS..PPolyproline II helixtrans-61.9149150.4-79.2-178.7141.400107.9K32 R141 T145K32-E143 IonicContact NZ-OE1 3.23Å; R141-E143 PolarHBondContact O-N 2.71Å; E143-T145 PolarHBondContact O-N 2.91Å
144Y43.4Very low45.2Very low94 Ų9495.8 Ų95.837%0.36951%0.505SS..PPolyproline II helixtrans-51.3120.2163.4-89.4-90.7000107.3Y103 P124 D146Y103-Y144 HydrophobicContact CD2-CD2 4.38Å; Y103-Y144 HydrophobicContact CD2-CE2 4.17Å; Y103-Y144 AromaticContact CE2-CD2 3.42Å; Y103-Y144 HydrophobicContact CE2-CD2 3.42Å; Y103-Y144 VanDerWaalsContact CE2-CD2 3.42Å; Y103-Y144 AromaticContact CE2-CE2 3.51Å; Y103-Y144 HydrophobicContact CE2-CE2 3.51Å; Y103-Y144 AromaticContact CZ-CD2 3.52Å; Y103-Y144 WeakPolarHBondContact OH-CD2 2.98Å; P124-Y144 HydrophobicContact CG-CE2 3.81Å; P124-Y144 VanDerWaalsContact CG-OH 3.31Å; P124-Y144 WeakPolarHBondContact CG-OH 3.41Å; Y144-D146 PolarHBondContact O-N 3.35Å
145T43.5Very low45.4Very low151 Ų15194.4 Ų94.493%0.92651%0.509SS*.SBendtrans-59.3-15.4-179.5-45.10000111.7E143E143-T145 PolarHBondContact O-N 2.91Å
146D42Very low45.7Very low69 Ų69103.9 Ų103.937%0.36954%0.54SS..  trans-149.2113.4163.6-165.5-10.3000111.7Y144 K148 V149Y144-D146 PolarHBondContact O-N 3.35Å; D146-K148 PolarHBondContact O-N 3.21Å; D146-K148 VanDerWaalsContact O-N 3.12Å; D146-K148 WeakPolarHBondContact OD1-CB 3.45Å; D146-K148 WeakPolarHBondContact OD1-CD 3.24Å; D146-K148 WeakPolarHBondContact OD1-CG 3.4Å; D146-K148 PolarHBondContact OD1-N 3.31Å; D146-V149 HydrophobicContact CB-CG2 4.41Å; D146-V149 WeakPolarHBondContact O-CG2 3.27Å; D146-V149 PolarHBondContact O-N 3.04Å
147P51.4Low45.9Very low44 Ų44106.2 Ų106.229%0.28656%0.557SS.*THydrogen-bonded Turntrans-61.9-12.8171.724.2-31.2000113.1Y103 V149Y103-P147 HydrophobicContact CE1-CB 4.49Å; P147-V149 PolarHBondContact O-N 2.92Å
148K50.2Low46.5Very low90 Ų90106.5 Ų106.539%0.39156%0.564SS.*THydrogen-bonded Turntrans-71.8-10.3176.6-56.8176.2179.7-179.10114.1V36 D146 V150 A151 H152V36-K148 HydrophobicContact CG2-CB 3.91Å; V36-K148 HydrophobicContact CG2-CD 4.18Å; V36-K148 HydrophobicContact CG2-CG 3.61Å; D146-K148 PolarHBondContact O-N 3.21Å; D146-K148 VanDerWaalsContact O-N 3.12Å; D146-K148 WeakPolarHBondContact OD1-CB 3.45Å; D146-K148 WeakPolarHBondContact OD1-CD 3.24Å; D146-K148 WeakPolarHBondContact OD1-CG 3.4Å; D146-K148 PolarHBondContact OD1-N 3.31Å; K148-V150 PolarHBondContact O-N 3.14Å; K148-A151 WeakPolarHBondContact O-CB 3.41Å; K148-A151 PolarHBondContact O-N 2.7Å; K148-H152 PolarHBondContact O-ND1 2.8Å
149V54.7Low47Very low73 Ų73103.8 Ų103.844%0.44255%0.553SS.*Hα-helixtrans-58.9-30.1174.1175.20000111.5D146 P147 A151 H152D146-V149 HydrophobicContact CB-CG2 4.41Å; D146-V149 WeakPolarHBondContact O-CG2 3.27Å; D146-V149 PolarHBondContact O-N 3.04Å; P147-V149 PolarHBondContact O-N 2.92Å; V149-A151 PolarHBondContact O-N 2.87Å; V149-H152 PolarHBondContact O-N 2.9Å
150V53.6Low48.1Very low32 Ų32109.3 Ų109.319%0.19455%0.551CS.*Hα-helixtrans-63-31.1176.6173.70000112.4Y103 A105 F122 K148Y103-V150 HydrophobicContact CG-CG2 4.32Å; A105-V150 HydrophobicContact CB-CG1 3.69Å; F122-V150 HydrophobicContact CE1-CG1 4.38Å; F122-V150 HydrophobicContact CE2-CG2 4.32Å; F122-V150 HydrophobicContact CZ-CG1 3.7Å; F122-V150 HydrophobicContact CZ-CG2 4.11Å; K148-V150 PolarHBondContact O-N 3.14Å
151A52.9Low48.8Very low14 Ų14102.5 Ų102.512%0.11653%0.533CS..Hα-helixtrans-82.4-24.5-177.500000113.5V36 Q84 V86 K148 V149V36-A151 HydrophobicContact CB-CB 3.77Å; V36-A151 HydrophobicContact CG1-CB 3.7Å; V36-A151 HydrophobicContact CG2-CB 3.88Å; Q84-A151 PolarHBondContact NE2-O 2.76Å; V86-A151 HydrophobicContact CG2-CB 3.98Å; K148-A151 WeakPolarHBondContact O-CB 3.41Å; K148-A151 PolarHBondContact O-N 2.7Å; V149-A151 PolarHBondContact O-N 2.87Å
152H49.8Very low50.1Low120 Ų120104.4 Ų104.456%0.55654%0.541SS*.Hα-helixtrans-91.4-12-168.8-73.180.4000114.7K148 V149 E154K148-H152 PolarHBondContact O-ND1 2.8Å; V149-H152 PolarHBondContact O-N 2.9Å; H152-E154 PolarHBondContact O-N 2.94Å
153G46Very low52.2Low35 Ų35102.9 Ų102.936%0.36153%0.533SS..  trans67.1-23.4176.100000115.9R156G153-R156 WeakPolarHBondContact O-CG 3.43Å; G153-R156 PolarHBondContact O-N 2.87Å
154E40.6Very low54.3Low169 Ų16998.8 Ų98.879%0.7951%0.513SS*.THydrogen-bonded Turntrans-69124.6170.7-75.8-173.4147.200110.2H152H152-E154 PolarHBondContact O-N 2.94Å
155G41.8Very low56.7Low62 Ų6294.4 Ų94.464%0.63950%0.497SS*.THydrogen-bonded Turntrans102.45.2-172.200000114.9E157G155-E157 PolarHBondContact O-N 2.85Å; G155-E157 VanDerWaalsContact O-N 3.14Å
156R45.3Very low59.3Low212 Ų21291.9 Ų91.980%0.847%0.473SS*.  trans-66.4-2.2168-82.3-175.7175.1176.11.7114.4G153G153-R156 WeakPolarHBondContact O-CG 3.43Å; G153-R156 PolarHBondContact O-N 2.87Å
157E45.8Very low62Low176 Ų17688.6 Ų88.682%0.82246%0.456SS*.SBendtrans-91.4111.6170.5-63.5-169.3167.600109.4G155G155-E157 PolarHBondContact O-N 2.85Å; G155-E157 VanDerWaalsContact O-N 3.14Å
158V49.1Very low64.2Low134 Ų13487.7 Ų87.781%0.81245%0.45SS*.SBendtrans85.645.7165.3-151.60000117.8
159T51.6Low66.5Low75 Ų7583.4 Ų83.446%0.4643%0.431SS..  trans-135.8118.3150.553.90000111.2V161T159-V161 PolarHBondContact O-N 3.03Å
160R61.6Low68.6Low190 Ų19080.8 Ų80.872%0.71742%0.416SS*.  trans-63.1125.4172.4-177.1174163.5156.63.3108.1E125E125-R160 HydrophobicContact CB-CB 4.42Å; E125-R160 HydrophobicContact CB-CG 4.49Å; E125-R160 WeakPolarHBondContact CB-O 3.31Å; E125-R160 PolarHBondContact N-O 2.9Å; E125-R160 WeakPolarHBondContact OE2-CD 3.43Å; E125-R160 VanDerWaalsContact OE2-CG 3.3Å; E125-R160 WeakPolarHBondContact OE2-CG 3.41Å; E125-R160 IonicContact OE2-CZ 3.03Å; E125-R160 IonicContact OE2-NE 3.55Å; E125-R160 PolarHBondContact OE2-NE 2.83Å; E125-R160 IonicContact OE2-NH2 3.93Å
161V67.9Low70.7Confident81 Ų8179.5 Ų79.549%0.49141%0.408SS..EExtended strand (participates in β ladder)trans-108146.4179.3-66.70000110.6F122 T159F122-V161 HydrophobicContact CB-CB 4.24Å; F122-V161 HydrophobicContact CD2-CG1 4.13Å; T159-V161 PolarHBondContact O-N 3.03Å
162R77.7Confident72.9Confident144 Ų14482.7 Ų82.754%0.54342%0.42SS..EExtended strand (participates in β ladder)trans-110.9128.8172.2177.1-179.8-66.8-120.6-3.4109.5F122 V123 E125 Q164F122-R162 VanDerWaalsContact CA-O 3.31Å; F122-R162 WeakPolarHBondContact CA-O 3.35Å; V123-R162 PolarHBondContact N-O 3.04Å; V123-R162 PolarHBondContact O-N 2.95Å; E125-R162 HydrophobicContact CG-CB 3.81Å; E125-R162 IonicContact OE1-CZ 2.8Å; E125-R162 VanDerWaalsContact OE1-CZ 3.23Å; E125-R162 IonicContact OE1-NE 3.59Å; E125-R162 PolarHBondContact OE1-NE 2.78Å; E125-R162 IonicContact OE1-NH2 3.97Å; E125-R162 PolarHBondContact OE1-NH2 3.28Å; R162-Q164 HydrophobicContact CG-CG 4.46Å
163S84.4Confident75.1Confident81 Ų8177 Ų7757%0.56639%0.394SS*.EExtended strand (participates in β ladder)trans-69.7131.3168.3-174.80000110M121M121-S163 WeakPolarHBondContact O-CA 3.35Å
164Q87.6Confident77.5Confident28 Ų2879 Ų7913%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-120.5-12.5-178.3-65.9-154.912.500113.9F23 P24 Y26 R101 M121 V123 R162F23-Q164 HydrophobicContact CD1-CB 4.09Å; F23-Q164 VanDerWaalsContact CD1-O 3.24Å; F23-Q164 WeakPolarHBondContact CD1-O 3.47Å; F23-Q164 HydrophobicContact CE1-CB 3.99Å; P24-Q164 WeakPolarHBondContact CD-O 3.18Å; Y26-Q164 HydrophobicContact CE2-CB 4.45Å; Y26-Q164 VanDerWaalsContact CZ-OE1 3.24Å; Y26-Q164 PolarHBondContact OH-OE1 2.86Å; R101-Q164 WeakPolarHBondContact O-CB 3.4Å; R101-Q164 VanDerWaalsContact O-CD 3.27Å; R101-Q164 PolarHBondContact O-OE1 2.87Å; M121-Q164 PolarHBondContact O-N 3.49Å; V123-Q164 HydrophobicContact CB-CG 4.47Å; V123-Q164 HydrophobicContact CG2-CB 4.47Å; V123-Q164 HydrophobicContact CG2-CG 3.78Å; R162-Q164 HydrophobicContact CG-CG 4.46Å
165G93.9Very high80.1Confident3 Ų372.6 Ų72.63%0.03137%0.367CS..EExtended strand (participates in β ladder)trans164.6-164.3-177.300000113.1N22 M121N22-G165 CarbonylContact O-C 3.55Å; N22-G165 WeakPolarHBondContact O-CA 3.43Å; M121-G165 WeakPolarHBondContact CB-O 3.37Å; M121-G165 PolarHBondContact N-O 3.02Å
166F97.1Very high82.6Confident97 Ų9775.5 Ų75.543%0.42536%0.362SS..EExtended strand (participates in β ladder)trans-138.4144.1179.9-59.6-87.6000111.2A21 N22 T118 I119 P120A21-F166 CarbonylContact C-O 3.36Å; A21-F166 WeakPolarHBondContact CA-O 3.46Å; A21-F166 WeakPolarHBondContact CB-O 3.38Å; N22-F166 PolarHBondContact N-O 3.42Å; N22-F166 PolarHBondContact O-N 2.66Å; T118-F166 HydrophobicContact CG2-CB 3.74Å; T118-F166 HydrophobicContact CG2-CD1 3.82Å; T118-F166 HydrophobicContact CG2-CG 4.05Å; I119-F166 CarbonylContact O-C 3.52Å; I119-F166 VanDerWaalsContact O-CA 3.27Å; I119-F166 WeakPolarHBondContact O-CA 3.48Å; P120-F166 HydrophobicContact CB-CD1 4.14Å; P120-F166 HydrophobicContact CB-CE1 3.95Å
167V98.2Very high84.9Confident0 Ų067.6 Ų67.60%034%0.336CS..EExtended strand (participates in β ladder)trans-110.5132.5168.6172.20000108.6I18 A21 F23 W66 V89 T118 I119 M121 I169I18-V167 HydrophobicContact CG2-CG1 3.88Å; A21-V167 HydrophobicContact CB-CG2 4Å; F23-V167 HydrophobicContact CE2-CG2 4.3Å; W66-V167 HydrophobicContact CZ3-CG2 4.46Å; V89-V167 HydrophobicContact CG2-CG2 3.79Å; T118-V167 CarbonylContact C-O 3.49Å; T118-V167 WeakPolarHBondContact CA-O 3.44Å; I119-V167 PolarHBondContact N-O 2.8Å; I119-V167 PolarHBondContact O-N 2.88Å; M121-V167 HydrophobicContact CE-CG2 4.08Å; M121-V167 HydrophobicContact CG-CB 4.43Å; M121-V167 HydrophobicContact CG-CG2 3.78Å; M121-V167 HydrophobicContact SD-CB 3.99Å; M121-V167 HydrophobicContact SD-CG2 3.52Å; M121-V167 VanDerWaalsContact SD-CG2 3.52Å; V167-I169 HydrophobicContact CG1-CD1 4.2Å; V167-I169 HydrophobicContact CG1-CG1 3.88Å
168T98.5Very high87.1Confident25 Ų2559.7 Ų59.715%0.15330%0.299CS..EExtended strand (participates in β ladder)trans-102.8130.2175.3-56.10000109.8E19 G20 I116 R117E19-T168 PolarHBondContact N-O 2.83Å; E19-T168 WeakPolarHBondContact OE2-CG2 3.26Å; G20-T168 PolarHBondContact O-N 2.79Å; I116-T168 HydrophobicContact CG2-CG2 3.85Å; R117-T168 WeakPolarHBondContact O-CA 3.2Å
169I98.5Very high89Confident0 Ų058.6 Ų58.60%028%0.284CS..EExtended strand (participates in β ladder)trans-128.6131.3-179.7-50.2-170.7000108.2Q17 L70 L85 V87 I116 R117 I119 V167 F171Q17-I169 WeakPolarHBondContact O-CA 3.01Å; Q17-I169 WeakPolarHBondContact O-CG2 3.16Å; L70-I169 HydrophobicContact CD1-CG2 3.76Å; L85-I169 HydrophobicContact CD2-CD1 3.42Å; L85-I169 VanDerWaalsContact CD2-CD1 3.42Å; L85-I169 HydrophobicContact CD2-CG2 4.15Å; L85-I169 HydrophobicContact CG-CD1 4.43Å; V87-I169 HydrophobicContact CG1-CD1 4Å; I116-I169 WeakPolarHBondContact CA-O 3.45Å; R117-I169 PolarHBondContact N-O 2.91Å; R117-I169 PolarHBondContact O-N 2.87Å; I119-I169 HydrophobicContact CD1-CD1 3.47Å; I119-I169 VanDerWaalsContact CD1-CD1 3.47Å; I119-I169 HydrophobicContact CD1-CG1 4.22Å; I119-I169 HydrophobicContact CG1-CD1 4.39Å; V167-I169 HydrophobicContact CG1-CD1 4.2Å; V167-I169 HydrophobicContact CG1-CG1 3.88Å; I169-F171 HydrophobicContact CB-CE2 4.06Å; I169-F171 HydrophobicContact CB-CZ 4.25Å; I169-F171 HydrophobicContact CG2-CD1 4.36Å; I169-F171 HydrophobicContact CG2-CD2 4.18Å; I169-F171 HydrophobicContact CG2-CE1 3.91Å; I169-F171 HydrophobicContact CG2-CE2 3.71Å; I169-F171 HydrophobicContact CG2-CG 4.5Å; I169-F171 HydrophobicContact CG2-CZ 3.57Å
170S98.5Very high90.8Very high19 Ų1960.3 Ų60.313%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-100.7133.3165.434.30000109.7G16 Q17 E19 H115G16-S170 CarbonylContact C-O 3.59Å; G16-S170 WeakPolarHBondContact CA-O 3.47Å; Q17-S170 WeakPolarHBondContact CG-OG 3.08Å; Q17-S170 PolarHBondContact N-O 2.84Å; Q17-S170 PolarHBondContact NE2-OG 3.04Å; Q17-S170 PolarHBondContact O-N 3.14Å; E19-S170 WeakPolarHBondContact CG-OG 3.49Å; E19-S170 WeakPolarHBondContact OE1-CB 3.39Å; E19-S170 PolarHBondContact OE1-OG 2.92Å; H115-S170 CarbonylContact O-C 3.48Å; H115-S170 WeakPolarHBondContact O-CA 3.21Å
171F98.4Very high92Very high4 Ų454.1 Ų54.12%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-114.4146.3174.6-61.7-81.1000109.7V14 N15 L70 L85 T106 I108 P109 Q114 H115 R117 I169 I173V14-F171 HydrophobicContact CG1-CD1 3.93Å; V14-F171 HydrophobicContact CG1-CE1 4.26Å; N15-F171 CarbonylContact O-C 3.58Å; N15-F171 WeakPolarHBondContact O-CA 3.09Å; L70-F171 HydrophobicContact CD1-CE1 4.37Å; L85-F171 HydrophobicContact CB-CZ 4.39Å; L85-F171 HydrophobicContact CD2-CE1 3.87Å; L85-F171 HydrophobicContact CD2-CZ 3.76Å; T106-F171 HydrophobicContact CG2-CE2 4.02Å; T106-F171 HydrophobicContact CG2-CZ 3.9Å; I108-F171 HydrophobicContact CD1-CD1 4.3Å; I108-F171 HydrophobicContact CD1-CE1 3.6Å; I108-F171 HydrophobicContact CD1-CZ 4.09Å; P109-F171 HydrophobicContact CG-CB 4.1Å; P109-F171 HydrophobicContact CG-CD2 4.02Å; P109-F171 HydrophobicContact CG-CG 4.16Å; Q114-F171 CarbonylContact C-O 3.59Å; Q114-F171 VanDerWaalsContact CA-O 3.31Å; Q114-F171 WeakPolarHBondContact CA-O 3.22Å; H115-F171 HydrophobicContact CB-CB 4.28Å; H115-F171 PolarHBondContact N-O 3.03Å; H115-F171 PolarHBondContact O-N 2.98Å; R117-F171 HydrophobicContact CB-CD2 4.49Å; R117-F171 HydrophobicContact CB-CE2 4Å; R117-F171 HydrophobicContact CG-CD2 4.04Å; R117-F171 HydrophobicContact CG-CE2 3.8Å; I169-F171 HydrophobicContact CB-CE2 4.06Å; I169-F171 HydrophobicContact CB-CZ 4.25Å; I169-F171 HydrophobicContact CG2-CD1 4.36Å; I169-F171 HydrophobicContact CG2-CD2 4.18Å; I169-F171 HydrophobicContact CG2-CE1 3.91Å; I169-F171 HydrophobicContact CG2-CE2 3.71Å; I169-F171 HydrophobicContact CG2-CG 4.5Å; I169-F171 HydrophobicContact CG2-CZ 3.57Å; F171-I173 HydrophobicContact CB-CD1 3.97Å; F171-I173 HydrophobicContact CB-CG1 4.22Å; F171-I173 HydrophobicContact CD1-CD1 4.48Å
172H97.9Very high93Very high81 Ų8153.5 Ų53.538%0.37527%0.271SS..EExtended strand (participates in β ladder)trans-126.7104.3166.2-178.4-155.6000107.4N15 G113N15-H172 HydrophobicContact CB-CB 4.21Å; N15-H172 PolarHBondContact N-O 3.47Å; N15-H172 PolarHBondContact O-N 2.66Å; G113-H172 WeakPolarHBondContact O-CA 3.45Å
173I97.5Very high93.6Very high1 Ų150.1 Ų50.11%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-97.3133.4-172.1-57.9-50.7000110.1L12 V14 I108 P109 P112 G113 F171 T175L12-I173 HydrophobicContact CD1-CG2 3.61Å; V14-I173 HydrophobicContact CB-CD1 4.39Å; V14-I173 HydrophobicContact CG1-CD1 4.06Å; V14-I173 HydrophobicContact CG2-CD1 4.32Å; I108-I173 HydrophobicContact CG2-CD1 3.59Å; I108-I173 HydrophobicContact CG2-CG1 4.42Å; P109-I173 HydrophobicContact CB-CG1 3.93Å; P109-I173 HydrophobicContact CG-CG1 3.97Å; P112-I173 CarbonylContact C-O 3.56Å; P112-I173 WeakPolarHBondContact CA-O 3.18Å; G113-I173 PolarHBondContact N-O 3.13Å; G113-I173 PolarHBondContact O-N 3.45Å; F171-I173 HydrophobicContact CB-CD1 3.97Å; F171-I173 HydrophobicContact CB-CG1 4.22Å; F171-I173 HydrophobicContact CD1-CD1 4.48Å; I173-T175 HydrophobicContact CG2-CG2 4.39Å
174M96.2Very high93.8Very high76 Ų7653.1 Ų53.137%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-127.6138.8170.5-59.1175.3-67.600108.9T13 N15T13-M174 HydrophobicContact CG2-CE 3.46Å; T13-M174 VanDerWaalsContact CG2-CE 3.46Å; T13-M174 PolarHBondContact N-O 2.97Å; T13-M174 PolarHBondContact O-N 2.98Å; N15-M174 VanDerWaalsContact ND2-CE 3.27Å; N15-M174 WeakPolarHBondContact ND2-CE 3.25Å
175T95.3Very high93.7Very high35 Ų3552.1 Ų52.122%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-123.213617761.90000109.4L11 L12 P112 I173 M178L11-T175 CarbonylContact O-C 3.57Å; L11-T175 VanDerWaalsContact O-CA 3.3Å; L11-T175 WeakPolarHBondContact O-CA 3.2Å; L12-T175 HydrophobicContact CD1-CG2 4Å; P112-T175 HydrophobicContact CG-CG2 3.97Å; P112-T175 VanDerWaalsContact CG-OG1 3.29Å; P112-T175 WeakPolarHBondContact CG-OG1 3.45Å; I173-T175 HydrophobicContact CG2-CG2 4.39Å; T175-M178 HydrophobicContact CG2-CG 4.46Å; T175-M178 HydrophobicContact CG2-SD 3.52Å; T175-M178 VanDerWaalsContact CG2-SD 3.52Å
176K94.3Very high93.2Very high124 Ų12452.8 Ų52.854%0.53927%0.271SS..EExtended strand (participates in β ladder)trans-114.8134.5172.4-168.4-173.7171.3177.50109.1F10 L11 M178F10-K176 WeakPolarHBondContact CA-O 3.22Å; F10-K176 VanDerWaalsContact CB-O 3.29Å; F10-K176 WeakPolarHBondContact CB-O 3.31Å; L11-K176 HydrophobicContact CB-CB 4.03Å; L11-K176 HydrophobicContact CD1-CB 4.47Å; L11-K176 HydrophobicContact CD1-CD 4.06Å; L11-K176 HydrophobicContact CG-CB 4.43Å; L11-K176 PolarHBondContact N-O 2.8Å; L11-K176 PolarHBondContact O-N 2.97Å; K176-M178 PolarHBondContact O-N 2.74Å
177D94Very high92.2Very high45 Ų4553.9 Ų53.924%0.24129%0.288CS..SBendtrans65.20.1172.2-55.4-39.5000117.3F10 K179 R180 M181F10-D177 HydrophobicContact CB-CB 4.49Å; D177-K179 VanDerWaalsContact C-N 3.33Å; D177-K179 PolarHBondContact O-N 2.88Å; D177-R180 VanDerWaalsContact CB-NH2 3.34Å; D177-R180 WeakPolarHBondContact O-CB 3.35Å; D177-R180 PolarHBondContact O-N 2.98Å; D177-R180 VanDerWaalsContact O-N 3.08Å; D177-R180 IonicContact OD1-CZ 3.9Å; D177-R180 IonicContact OD1-NH1 3.49Å; D177-R180 IonicContact OD1-NH2 2.8Å; D177-R180 PolarHBondContact OD1-NH2 3.29Å; D177-R180 IonicContact OD2-CZ 2.7Å; D177-R180 IonicContact OD2-NH2 2.76Å; D177-R180 PolarHBondContact OD2-NH2 3.06Å; D177-M181 PolarHBondContact O-N 3.13Å; D177-M181 VanDerWaalsContact O-N 3.15Å
178M90.8Very high90.4Very high10 Ų1058.4 Ų58.45%0.04932%0.316CS..THydrogen-bonded Turntrans-56.8-42.7173.9-77.5-168.793.700112.8F10 W82 T175 K176 R180 M181 G182 Y183 T185F10-M178 HydrophobicContact CB-CB 4.35Å; F10-M178 HydrophobicContact CB-CG 3.63Å; F10-M178 HydrophobicContact CD1-CG 4.3Å; F10-M178 HydrophobicContact CD2-CE 4.04Å; F10-M178 HydrophobicContact CD2-CG 3.3Å; F10-M178 HydrophobicContact CD2-SD 3.91Å; F10-M178 HydrophobicContact CE2-CE 3.68Å; F10-M178 HydrophobicContact CE2-CG 3.97Å; F10-M178 HydrophobicContact CE2-SD 4.06Å; F10-M178 HydrophobicContact CG-CG 3.49Å; F10-M178 VanDerWaalsContact CG-CG 3.49Å; F10-M178 HydrophobicContact CZ-CE 3.99Å; W82-M178 HydrophobicContact CH2-CE 3.79Å; W82-M178 HydrophobicContact CH2-SD 4.16Å; W82-M178 HydrophobicContact CZ3-CE 3.6Å; T175-M178 HydrophobicContact CG2-CG 4.46Å; T175-M178 HydrophobicContact CG2-SD 3.52Å; T175-M178 VanDerWaalsContact CG2-SD 3.52Å; K176-M178 PolarHBondContact O-N 2.74Å; M178-R180 VanDerWaalsContact C-N 3.32Å; M178-R180 PolarHBondContact O-N 3.18Å; M178-M181 WeakPolarHBondContact O-CB 3.43Å; M178-M181 PolarHBondContact O-N 3.18Å; M178-M181 VanDerWaalsContact O-N 3.16Å; M178-G182 PolarHBondContact O-N 3.37Å; M178-Y183 HydrophobicContact CE-CD2 4.36Å; M178-Y183 PolarHBondContact O-N 2.96Å; M178-Y183 VanDerWaalsContact O-N 3.1Å; M178-T185 HydrophobicContact CB-CG2 3.73Å; M178-T185 HydrophobicContact SD-CG2 4.44Å
179K89.6Confident88.4Confident112 Ų11264.2 Ų64.249%0.48735%0.346SS..THydrogen-bonded Turntrans-63.8-35.6175.9-67.8-169.4179-169.10112.8D177 M181 G182 Y183 T185 T188D177-K179 VanDerWaalsContact C-N 3.33Å; D177-K179 PolarHBondContact O-N 2.88Å; K179-M181 PolarHBondContact O-N 3.3Å; K179-G182 PolarHBondContact O-N 3.46Å; K179-Y183 WeakPolarHBondContact CA-O 3.4Å; K179-T185 WeakPolarHBondContact CE-OG1 3.43Å; K179-T185 HydrophobicContact CG-CG2 3.97Å; K179-T188 VanDerWaalsContact NZ-CG2 3.29Å
180R88.8Confident85.9Confident111 Ų11169 Ų6942%0.41938%0.379SS..THydrogen-bonded Turntrans-66.1-30.9176.4-178.317361.3-155.9-15111.4S5 D177 M178 G182S5-R180 PolarHBondContact O-NH1 2.88Å; D177-R180 VanDerWaalsContact CB-NH2 3.34Å; D177-R180 WeakPolarHBondContact O-CB 3.35Å; D177-R180 PolarHBondContact O-N 2.98Å; D177-R180 VanDerWaalsContact O-N 3.08Å; D177-R180 IonicContact OD1-CZ 3.9Å; D177-R180 IonicContact OD1-NH1 3.49Å; D177-R180 IonicContact OD1-NH2 2.8Å; D177-R180 PolarHBondContact OD1-NH2 3.29Å; D177-R180 IonicContact OD2-CZ 2.7Å; D177-R180 IonicContact OD2-NH2 2.76Å; D177-R180 PolarHBondContact OD2-NH2 3.06Å; M178-R180 VanDerWaalsContact C-N 3.32Å; M178-R180 PolarHBondContact O-N 3.18Å; R180-G182 PolarHBondContact O-N 3.11Å
181M87.6Confident83.2Confident60 Ų6073.3 Ų73.330%0.29641%0.41SS..THydrogen-bonded Turntrans-79.23.3173.7-65.5-72.2-74.400113.4S7 S8 F10 T77 D177 M178 K179 Y183S7-M181 VanDerWaalsContact O-SD 3.33Å; S8-M181 WeakPolarHBondContact O-CE 3.39Å; F10-M181 HydrophobicContact CD1-CG 4.38Å; T77-M181 VanDerWaalsContact O-CE 3.22Å; T77-M181 WeakPolarHBondContact O-CE 3.14Å; D177-M181 PolarHBondContact O-N 3.13Å; D177-M181 VanDerWaalsContact O-N 3.15Å; M178-M181 WeakPolarHBondContact O-CB 3.43Å; M178-M181 PolarHBondContact O-N 3.18Å; M178-M181 VanDerWaalsContact O-N 3.16Å; K179-M181 PolarHBondContact O-N 3.3Å; M181-Y183 HydrophobicContact CB-CD2 3.76Å; M181-Y183 HydrophobicContact CB-CE2 3.7Å
182G88.9Confident80.4Confident67 Ų6778.7 Ų78.769%0.69144%0.443SS*.THydrogen-bonded Turntrans85.510177.800000115M178 K179 R180M178-G182 PolarHBondContact O-N 3.37Å; K179-G182 PolarHBondContact O-N 3.46Å; R180-G182 PolarHBondContact O-N 3.11Å
183Y90.7Very high77.7Confident73 Ų7380.7 Ų80.729%0.28646%0.46SS..  trans-88.1136.3176.9-57.2-59.2000111.9F10 P79 M178 K179 M181F10-Y183 HydrophobicContact CD1-CD2 4.36Å; F10-Y183 HydrophobicContact CD1-CE2 4.05Å; F10-Y183 HydrophobicContact CE1-CD2 4.29Å; F10-Y183 AromaticContact CE1-CE2 3.79Å; F10-Y183 HydrophobicContact CE1-CE2 3.79Å; P79-Y183 WeakPolarHBondContact CD-OH 3.42Å; P79-Y183 HydrophobicContact CG-CD1 4.44Å; P79-Y183 HydrophobicContact CG-CE1 3.9Å; M178-Y183 HydrophobicContact CE-CD2 4.36Å; M178-Y183 PolarHBondContact O-N 2.96Å; M178-Y183 VanDerWaalsContact O-N 3.1Å; K179-Y183 WeakPolarHBondContact CA-O 3.4Å; M181-Y183 HydrophobicContact CB-CD2 3.76Å; M181-Y183 HydrophobicContact CB-CE2 3.7Å
184D88.2Confident74.8Confident145 Ų14589.3 Ų89.378%0.77550%0.501SS*.  trans-77127.8168.9-173.87.1000110G186D184-G186 PolarHBondContact OD1-N 2.76Å
185T84.8Confident72Confident6 Ų690.3 Ų90.34%0.03752%0.515CS..  trans-107.213.8179.368.80000111.9P112 M178 K179P112-T185 WeakPolarHBondContact CD-O 3.39Å; M178-T185 HydrophobicContact CB-CG2 3.73Å; M178-T185 HydrophobicContact SD-CG2 4.44Å; K179-T185 WeakPolarHBondContact CE-OG1 3.43Å; K179-T185 HydrophobicContact CG-CG2 3.97Å
186G82.6Confident69.4Low17 Ų1793.1 Ų93.118%0.17554%0.542CS..  trans73.9-176.3-175.100000113.5D184 T188D184-G186 PolarHBondContact OD1-N 2.76Å; G186-T188 PolarHBondContact O-N 2.7Å
187P76.2Confident66.8Low120 Ų12093.5 Ų93.578%0.77956%0.555SS**  trans-64.2126.6-175.223.4-30.6000111.2N189P187-N189 PolarHBondContact O-N 2.83Å
188T61.1Low64.2Low95 Ų9596 Ų9658%0.58358%0.576SS**  trans-74.3111.8168.937.40000108.6K179 G186 S190K179-T188 VanDerWaalsContact NZ-CG2 3.29Å; G186-T188 PolarHBondContact O-N 2.7Å; T188-S190 PolarHBondContact O-N 2.9Å
189N56.8Low61.8Low147 Ų147100.9 Ų100.979%0.78661%0.611SS**  trans-66.688.7164.5-72.9-15.7000107.8P187 S191P187-N189 PolarHBondContact O-N 2.83Å; N189-S191 PolarHBondContact O-N 3.49Å
190S45Very low59.4Low101 Ų101103.4 Ų103.471%0.70663%0.625SS**  trans-7665.3176.857.40000110.1T188 T192T188-S190 PolarHBondContact O-N 2.9Å; S190-T192 PolarHBondContact O-N 2.86Å
191S42.9Very low56.9Low110 Ų110103 Ų10377%0.76964%0.639SS**  trans-85.865160.651.90000108.3N189 V193N189-S191 PolarHBondContact O-N 3.49Å; S191-V193 PolarHBondContact O-N 2.88Å
192T39.3Very low54.8Low117 Ų117111.2 Ų111.272%0.71867%0.666SS**  trans-70.6115165.1-59.10000106.6S190 Q194S190-T192 PolarHBondContact O-N 2.86Å; T192-Q194 PolarHBondContact O-N 3.34Å
193V42.1Very low52.5Low122 Ų122115.4 Ų115.474%0.73967%0.673SS**  trans-56.4102167.8176.90000107.2S191 S195S191-V193 PolarHBondContact O-N 2.88Å; V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 2.93Å
194Q35.5Very low50.1Low183 Ų183116.5 Ų116.586%0.85570%0.697SS**  trans-7098.1163.3-83.3-177.7-11.300106.8T192 A196T192-Q194 PolarHBondContact O-N 3.34Å; Q194-A196 PolarHBondContact O-N 3.13Å
195S37.8Very low47.6Very low97 Ų97122.6 Ų122.668%0.67872%0.721SS**  trans-61.791.7162.6-46.80000107.7V193 T197V193-S195 VanDerWaalsContact C-N 3.33Å; V193-S195 PolarHBondContact O-N 2.93Å; S195-T197 VanDerWaalsContact C-N 3.34Å; S195-T197 PolarHBondContact O-N 2.74Å
196A39.8Very low45.8Very low93 Ų93128.5 Ų128.577%0.76976%0.755SS**  trans-64.296.6171.400000108.2Q194 S198Q194-A196 PolarHBondContact O-N 3.13Å; A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3.34Å
197T39.7Very low43.9Very low133 Ų133134.3 Ų134.382%0.81679%0.786SS**  trans-82.786.5167.2-41.30000106.1S195 S199S195-T197 VanDerWaalsContact C-N 3.34Å; S195-T197 PolarHBondContact O-N 2.74Å; T197-S199 PolarHBondContact O-N 3.23Å; T197-S199 VanDerWaalsContact O-N 3.14Å
198S40.8Very low42.1Very low98 Ų98135.1 Ų135.169%0.68579%0.786SS**  trans-74.399.917257.10000109A196 Q200A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3.34Å; S198-Q200 PolarHBondContact O-N 3.26Å; S198-Q200 VanDerWaalsContact O-N 3.13Å
199S39.5Very low40.9Very low111 Ų111137.5 Ų137.578%0.77680%0.798SS**  trans-64.110216251.80000109.1T197 S201T197-S199 PolarHBondContact O-N 3.23Å; T197-S199 VanDerWaalsContact O-N 3.14Å; S199-S201 PolarHBondContact O-N 3.07Å
200Q38.6Very low40Very low166 Ų166136.9 Ų136.978%0.77680%0.799SS**  trans-80.298.7164.8-81.6-175.9-1500108.9S198 R202S198-Q200 PolarHBondContact O-N 3.26Å; S198-Q200 VanDerWaalsContact O-N 3.13Å; Q200-R202 PolarHBondContact O-N 3.1Å
201S38Very low39.6Very low103 Ų103139.3 Ų139.372%0.7281%0.805SS**  trans-67.2111.3156.145.50000108.2S199 D203S199-S201 PolarHBondContact O-N 3.07Å; S201-D203 PolarHBondContact O-N 3.41Å
202R42.3Very low39.4Very low231 Ų231141.4 Ų141.487%0.87281%0.808SS**  trans-84.5100.8164.5-75.3-177.2176.2-177.2-1.7107.4Q200Q200-R202 PolarHBondContact O-N 3.1Å
203D41.7Very low39.4Very low155 Ų155143.2 Ų143.283%0.82982%0.815SS**  trans-105145.7160.9-79.3-40.4000110.2S201S201-D203 PolarHBondContact O-N 3.41Å
204A39.8Very low39.2Very low97 Ų97145 Ų14580%0.80282%0.821SS**  trans-68.3148.5-160.300000116
205Q36.7Very low39.5Very low273 Ų273141.5 Ų141.5100%1.27682%0.818SS**  trans-160.20132.7-114173.6-5.700110.6

Retrieved 205 of 205 residues in 111.9 ms (Link to these results)

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