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Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic

Has glycerol-3-phosphate dehydrogenase activity.

AlphaFold DB , UniProt , Accession P21695, Species HUMAN (Homo sapiens, Human), Gene GPD1, Length 349 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.2Low93.2Very high233 Ų23346.6 Ų46.6100%1.14826%0.261SS*.  0154.60-79.4-178-174.500108.1
2A83.1Confident93.4Very high88 Ų8844.9 Ų44.973%0.72726%0.262SS*.PPolyproline II helixtrans-61.2144.2168.700000110
3S94.8Very high93.4Very high46 Ų4644.1 Ų44.132%0.32226%0.255SS..PPolyproline II helixtrans-62.7141.4174.650.60000110.7Q31S3-Q31 CarbonylContact C-O 3.56Å; S3-Q31 WeakPolarHBondContact CA-O 3.38Å
4K98.5Very high93.6Very high59 Ų5943.3 Ų43.326%0.25725%0.246SC..EExtended strand (participates in β ladder)trans-81.1122.2-175-65.9-64.6-173.8-177.10111.2Q31 F32 D33 D87K4-Q31 PolarHBondContact N-O 3.45Å; K4-F32 HydrophobicContact CB-CD1 3.92Å; K4-F32 HydrophobicContact CB-CE1 4.4Å; K4-F32 WeakPolarHBondContact O-CA 3.47Å; K4-D33 PolarHBondContact O-N 3.45Å; K4-D87 WeakPolarHBondContact CA-OD2 3.15Å; K4-D87 HydrophobicContact CB-CB 4.15Å; K4-D87 HydrophobicContact CD-CB 3.61Å; K4-D87 VanDerWaalsContact CD-CG 3.44Å; K4-D87 HydrophobicContact CG-CB 4.49Å; K4-D87 IonicContact NZ-OD1 2.74Å; K4-D87 PolarHBondContact NZ-OD1 3.29Å
5K98.8Very high93.9Very high74 Ų7440.5 Ų40.532%0.32223%0.23SC..EExtended strand (participates in β ladder)trans-79.2137.2176.1-68.2-179.5-179.7-176.60110.8D33 D85 D87 I88K5-D33 HydrophobicContact CB-CB 4.48Å; K5-D33 HydrophobicContact CG-CB 3.87Å; K5-D85 HydrophobicContact CD-CB 3.63Å; K5-D85 IonicContact NZ-OD2 2.87Å; K5-D85 PolarHBondContact NZ-OD2 3.48Å; K5-D87 PolarHBondContact N-OD2 3.29Å; K5-D87 PolarHBondContact O-N 2.9Å; K5-I88 PolarHBondContact O-N 3.18Å; K5-I88 VanDerWaalsContact O-N 3.16Å
6V98.9Very high94.2Very high2 Ų237.9 Ų37.91%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-119.3129.7-177-175.70000110.5V22 F32 V36 T37 I88 I90 L180V6-V22 HydrophobicContact CG1-CG1 3.8Å; V6-F32 HydrophobicContact CG2-CD1 4.2Å; V6-V36 HydrophobicContact CB-CG2 4.49Å; V6-V36 HydrophobicContact CG1-CG1 4.45Å; V6-T37 PolarHBondContact O-N 2.87Å; V6-T37 VanDerWaalsContact O-N 3.11Å; V6-T37 PolarHBondContact O-OG1 3.48Å; V6-I88 WeakPolarHBondContact CA-O 3.47Å; V6-I88 HydrophobicContact CG2-CB 4.4Å; V6-I90 HydrophobicContact CG1-CD1 3.94Å; V6-I90 HydrophobicContact CG1-CG1 4.32Å; V6-L180 HydrophobicContact CG1-CD2 4.05Å; V6-L180 HydrophobicContact CG2-CD1 4.05Å; V6-L180 HydrophobicContact CG2-CD2 3.9Å
7C98.9Very high94.4Very high0 Ų035.7 Ų35.70%020%0.203CC..EExtended strand (participates in β ladder)trans-118.4131.7172.4174.30000110.4T37 A82 A86 I88 L89 I90C7-T37 CarbonylContact C-O 3.5Å; C7-T37 WeakPolarHBondContact CA-O 3.44Å; C7-T37 WeakPolarHBondContact CA-OG1 3.22Å; C7-T37 WeakPolarHBondContact CB-OG1 3.17Å; C7-A82 VanDerWaalsContact SG-C 3.51Å; C7-A82 PolarHBondContact SG-O 2.96Å; C7-A86 HydrophobicContact CB-CB 3.71Å; C7-I88 PolarHBondContact N-O 2.99Å; C7-L89 CarbonylContact O-C 3.48Å; C7-L89 WeakPolarHBondContact O-CA 3.46Å; C7-I90 PolarHBondContact O-N 3.31Å
8I99Very high94.7Very high0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-101.2112.9172.5-57.2174.4000108G10 A19 V22 V36 T37 M38 W39 I90 V92I8-G10 WeakPolarHBondContact CG2-O 2.95Å; I8-G10 PolarHBondContact O-N 3.29Å; I8-A19 HydrophobicContact CD1-CB 3.49Å; I8-A19 VanDerWaalsContact CD1-CB 3.49Å; I8-V22 HydrophobicContact CD1-CB 4.21Å; I8-V22 HydrophobicContact CD1-CG1 4.21Å; I8-V36 HydrophobicContact CD1-CG1 3.9Å; I8-V36 HydrophobicContact CG1-CG1 4.11Å; I8-T37 PolarHBondContact N-O 3.33Å; I8-M38 HydrophobicContact CB-CB 4.31Å; I8-M38 HydrophobicContact CB-CG 4.18Å; I8-M38 HydrophobicContact CG2-CG 4.28Å; I8-M38 CarbonylContact O-C 3.6Å; I8-M38 WeakPolarHBondContact O-CA 3.35Å; I8-W39 PolarHBondContact O-N 3.02Å; I8-I90 CarbonylContact C-O 3.54Å; I8-I90 HydrophobicContact CG1-CB 4.26Å; I8-I90 HydrophobicContact CG1-CD1 4.22Å; I8-V92 HydrophobicContact CG2-CG1 3.56Å
9V98.9Very high94.9Very high0 Ų031.9 Ų31.90%018%0.182CC..EExtended strand (participates in β ladder)trans-91.487.6176.9-174.30000108.3W39 V79 L89 I90 F91 V92 V93 I101 L105V9-W39 HydrophobicContact CG1-CE3 3.9Å; V9-V79 HydrophobicContact CG1-CG2 4.02Å; V9-L89 HydrophobicContact CG2-CD2 4.25Å; V9-I90 PolarHBondContact N-O 3.29Å; V9-F91 HydrophobicContact CB-CD1 3.84Å; V9-F91 HydrophobicContact CB-CE1 4.17Å; V9-F91 HydrophobicContact CB-CG 4.49Å; V9-F91 HydrophobicContact CG1-CD1 4Å; V9-F91 HydrophobicContact CG1-CE1 4.24Å; V9-F91 HydrophobicContact CG2-CD1 4.17Å; V9-F91 HydrophobicContact CG2-CE1 4.03Å; V9-V92 PolarHBondContact O-N 3.39Å; V9-V93 WeakPolarHBondContact O-CG1 3.43Å; V9-I101 HydrophobicContact CG1-CG2 3.61Å; V9-L105 HydrophobicContact CG2-CD1 4.42Å
10G98.2Very high95.1Very high2 Ų232.5 Ų32.52%0.02118%0.182CC..  trans135.8135.1176.500000113.4I8 W39 V92I8-G10 WeakPolarHBondContact CG2-O 2.95Å; I8-G10 PolarHBondContact O-N 3.29Å; G10-W39 CarbonylContact C-O 3.59Å; G10-W39 PolarHBondContact N-O 2.91Å; G10-V92 WeakPolarHBondContact O-CG1 3.38Å
11S96.6Very high95.2Very high9 Ų931.8 Ų31.86%0.06318%0.178CC..  trans-124.923.5-174.364.10000113.4S16 V40 N60 Y63S11-S16 PolarHBondContact O-OG 3.19Å; S11-V40 WeakPolarHBondContact OG-CA 3.38Å; S11-N60 PolarHBondContact O-ND2 3.43Å; S11-Y63 WeakPolarHBondContact O-CD2 3.37Å
12G94.7Very high97.1Very high26 Ų2620.7 Ų20.727%0.26812%0.123SC..SBendtrans-65.3-171.8171.500000112.2W14 G15 S16G12-W14 VanDerWaalsContact C-N 3.34Å; G12-W14 PolarHBondContact O-N 3.38Å; G12-G15 PolarHBondContact O-N 3.31Å; G12-S16 WeakPolarHBondContact O-CB 3.43Å; G12-S16 PolarHBondContact O-N 3.08Å; G12-S16 PolarHBondContact O-OG 3.06Å
13N94Very high97.8Very high34 Ų3416.5 Ų16.518%0.1829%0.089CC..Hα-helixtrans-56.9-48.4-179.8-170.8-4.8000111.1S16 A17 Y63 L64 A153N13-S16 PolarHBondContact O-N 3.24Å; N13-A17 PolarHBondContact O-N 3.14Å; N13-A17 VanDerWaalsContact O-N 3.09Å; N13-Y63 WeakPolarHBondContact CA-O 3.34Å; N13-Y63 VanDerWaalsContact CB-O 3.29Å; N13-Y63 WeakPolarHBondContact CB-O 3.3Å; N13-Y63 PolarHBondContact OD1-O 2.99Å; N13-L64 VanDerWaalsContact OD1-CD1 3.26Å; N13-L64 WeakPolarHBondContact OD1-CD1 3.47Å; N13-A153 HydrophobicContact CB-CB 4.25Å; N13-A153 VanDerWaalsContact OD1-CB 3.22Å; N13-A153 WeakPolarHBondContact OD1-CB 3.17Å
14W95.7Very high98Very high33 Ų3315.4 Ų15.413%0.1258%0.084CC..Hα-helixtrans-68.4-38.5176.8-172.2-138.9000113.5G12 S16 A17 I18 V92 L118 L147 N151 A153 V156 F186G12-W14 VanDerWaalsContact C-N 3.34Å; G12-W14 PolarHBondContact O-N 3.38Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 2.99Å; W14-A17 HydrophobicContact CE3-CB 3.9Å; W14-A17 HydrophobicContact CZ3-CB 4.05Å; W14-A17 PolarHBondContact O-N 3.23Å; W14-I18 WeakPolarHBondContact O-CG2 3.29Å; W14-I18 PolarHBondContact O-N 3.17Å; W14-V92 HydrophobicContact CB-CG2 4.02Å; W14-V92 VanDerWaalsContact CD1-CG2 3.45Å; W14-V92 HydrophobicContact CG-CG2 3.92Å; W14-L118 HydrophobicContact CZ2-CD2 4.13Å; W14-L147 HydrophobicContact CZ2-CD2 4.14Å; W14-N151 HydrophobicContact CH2-CB 3.55Å; W14-N151 HydrophobicContact CZ2-CB 3.84Å; W14-N151 HydrophobicContact CZ3-CB 3.96Å; W14-A153 HydrophobicContact CB-CB 4.25Å; W14-A153 HydrophobicContact CE3-CB 3.85Å; W14-V156 HydrophobicContact CH2-CG1 4.26Å; W14-V156 HydrophobicContact CH2-CG2 4.22Å; W14-V156 HydrophobicContact CZ3-CB 3.89Å; W14-V156 HydrophobicContact CZ3-CG1 3.87Å; W14-V156 HydrophobicContact CZ3-CG2 3.78Å; W14-F186 AromaticContact CH2-CE2 3.72Å; W14-F186 HydrophobicContact CH2-CE2 3.72Å; W14-F186 AromaticContact CH2-CZ 3.93Å; W14-F186 HydrophobicContact CH2-CZ 3.93Å; W14-F186 HydrophobicContact CZ2-CE2 4.49Å; W14-F186 HydrophobicContact CZ2-CZ 4.31Å
15G98Very high98Very high1 Ų113.6 Ų13.61%0.018%0.077CC..Hα-helixtrans-61.3-40.8176.200000112.9G12 I18 A19 V92G12-G15 PolarHBondContact O-N 3.31Å; G15-I18 VanDerWaalsContact O-CG2 3.32Å; G15-I18 WeakPolarHBondContact O-CG2 3.34Å; G15-A19 WeakPolarHBondContact O-CB 3.39Å; G15-A19 PolarHBondContact O-N 3.28Å; G15-V92 VanDerWaalsContact CA-CG1 3.5Å
16S98.4Very high98Very high0 Ų010.1 Ų10.10%06%0.063CC..Hα-helixtrans-69.7-40.1176.8-55.20000111.9S11 G12 N13 W14 A19 K20 N60 L69S11-S16 PolarHBondContact O-OG 3.19Å; G12-S16 WeakPolarHBondContact O-CB 3.43Å; G12-S16 PolarHBondContact O-N 3.08Å; G12-S16 PolarHBondContact O-OG 3.06Å; N13-S16 PolarHBondContact O-N 3.24Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 2.99Å; S16-A19 PolarHBondContact O-N 3.34Å; S16-K20 PolarHBondContact O-N 3.49Å; S16-K20 VanDerWaalsContact O-N 3.12Å; S16-N60 PolarHBondContact OG-ND2 3.42Å; S16-L69 VanDerWaalsContact O-CD2 3.32Å; S16-L69 WeakPolarHBondContact O-CD2 3.37Å
17A98.5Very high98Very high0 Ų012.7 Ų12.70%08%0.084CC..Hα-helixtrans-65.8-44.8177.900000111.9N13 W14 A19 K20 L64 A153 A157N13-A17 PolarHBondContact O-N 3.14Å; N13-A17 VanDerWaalsContact O-N 3.09Å; W14-A17 HydrophobicContact CE3-CB 3.9Å; W14-A17 HydrophobicContact CZ3-CB 4.05Å; W14-A17 PolarHBondContact O-N 3.23Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-K20 WeakPolarHBondContact O-CB 3.36Å; A17-K20 PolarHBondContact O-N 2.92Å; A17-L64 HydrophobicContact CB-CD2 4.47Å; A17-A153 HydrophobicContact CB-CB 4.11Å; A17-A153 WeakPolarHBondContact CB-O 3.34Å; A17-A157 HydrophobicContact CB-CB 4.3Å
18I98.8Very high98Very high0 Ų020.2 Ų20.20%012%0.119CC..Hα-helixtrans-69.3-32.4175.9-164.563.4000111.6W14 G15 K20 I21 V22 V92 L118 M181W14-I18 WeakPolarHBondContact O-CG2 3.29Å; W14-I18 PolarHBondContact O-N 3.17Å; G15-I18 VanDerWaalsContact O-CG2 3.32Å; G15-I18 WeakPolarHBondContact O-CG2 3.34Å; I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 3.12Å; I18-I21 HydrophobicContact CD1-CB 4.42Å; I18-I21 PolarHBondContact O-N 3.05Å; I18-I21 VanDerWaalsContact O-N 3.16Å; I18-V22 HydrophobicContact CD1-CG2 4.37Å; I18-V22 HydrophobicContact CG1-CG2 3.94Å; I18-V22 WeakPolarHBondContact O-CB 3.3Å; I18-V22 VanDerWaalsContact O-CG2 3.31Å; I18-V22 WeakPolarHBondContact O-CG2 3.36Å; I18-V22 PolarHBondContact O-N 2.9Å; I18-V92 HydrophobicContact CG2-CG1 4.44Å; I18-L118 HydrophobicContact CB-CD2 4.17Å; I18-L118 HydrophobicContact CD1-CD2 4.4Å; I18-L118 HydrophobicContact CG1-CD2 3.82Å; I18-L118 HydrophobicContact CG2-CD2 4.13Å; I18-M181 HydrophobicContact CD1-CB 4.42Å; I18-M181 HydrophobicContact CD1-CG 4.17Å; I18-M181 HydrophobicContact CD1-SD 4.16Å; I18-M181 HydrophobicContact CG1-SD 4.44Å
19A98.9Very high97.9Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-61.2-35.1173.700000112.7I8 G15 S16 A17 I21 G23 M38 L69 V73I8-A19 HydrophobicContact CD1-CB 3.49Å; I8-A19 VanDerWaalsContact CD1-CB 3.49Å; G15-A19 WeakPolarHBondContact O-CB 3.39Å; G15-A19 PolarHBondContact O-N 3.28Å; S16-A19 PolarHBondContact O-N 3.34Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A19-I21 PolarHBondContact O-N 3.4Å; A19-G23 WeakPolarHBondContact O-CA 3.45Å; A19-G23 PolarHBondContact O-N 3.07Å; A19-M38 HydrophobicContact CB-SD 3.79Å; A19-L69 HydrophobicContact CB-CD2 4.47Å; A19-V73 HydrophobicContact CB-CG1 4.14Å; A19-V73 WeakPolarHBondContact O-CG2 3.37Å
20K98.7Very high97.8Very high43 Ų4328.1 Ų28.119%0.18718%0.175CC..Hα-helixtrans-60-45.6173.6-172.7-174.6166.1-165.50111.6S16 A17 I18 G24 L69 P70 A157 E159S16-K20 PolarHBondContact O-N 3.49Å; S16-K20 VanDerWaalsContact O-N 3.12Å; A17-K20 WeakPolarHBondContact O-CB 3.36Å; A17-K20 PolarHBondContact O-N 2.92Å; I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 3.12Å; K20-G24 PolarHBondContact O-N 3.34Å; K20-L69 HydrophobicContact CB-CD2 4.27Å; K20-P70 WeakPolarHBondContact O-CG 3.38Å; K20-A157 PolarHBondContact NZ-O 3.47Å; K20-E159 WeakPolarHBondContact CE-OE1 3.48Å; K20-E159 IonicContact NZ-OE1 3.15Å; K20-E159 PolarHBondContact NZ-OE1 2.98Å
21I98.8Very high97.8Very high18 Ų1831.7 Ų31.79%0.09219%0.191CC..Hα-helixtrans-68.2-54.1178.5-71.4175.8000111.2I18 A19 G23 G24 N25 V156 M181 T183 F186I18-I21 HydrophobicContact CD1-CB 4.42Å; I18-I21 PolarHBondContact O-N 3.05Å; I18-I21 VanDerWaalsContact O-N 3.16Å; A19-I21 PolarHBondContact O-N 3.4Å; I21-G23 VanDerWaalsContact C-N 3.34Å; I21-G23 PolarHBondContact O-N 3.4Å; I21-G24 PolarHBondContact O-N 3.46Å; I21-G24 VanDerWaalsContact O-N 3.17Å; I21-N25 PolarHBondContact O-N 2.86Å; I21-V156 HydrophobicContact CD1-CG1 3.56Å; I21-M181 WeakPolarHBondContact CG2-O 3.45Å; I21-T183 HydrophobicContact CB-CG2 4.49Å; I21-T183 HydrophobicContact CG1-CG2 4.18Å; I21-T183 HydrophobicContact CG2-CG2 3.8Å; I21-F186 HydrophobicContact CD1-CB 3.86Å; I21-F186 HydrophobicContact CD1-CD1 4.21Å; I21-F186 HydrophobicContact CD1-CD2 3.87Å; I21-F186 HydrophobicContact CD1-CG 3.71Å
22V98.9Very high97.8Very high0 Ų031.4 Ų31.40%019%0.189CC..Hα-helixtrans-61-44-176.4169.80000110.7V6 I8 I18 N25 A26 V36 I90 L180 M181V6-V22 HydrophobicContact CG1-CG1 3.8Å; I8-V22 HydrophobicContact CD1-CB 4.21Å; I8-V22 HydrophobicContact CD1-CG1 4.21Å; I18-V22 HydrophobicContact CD1-CG2 4.37Å; I18-V22 HydrophobicContact CG1-CG2 3.94Å; I18-V22 WeakPolarHBondContact O-CB 3.3Å; I18-V22 VanDerWaalsContact O-CG2 3.31Å; I18-V22 WeakPolarHBondContact O-CG2 3.36Å; I18-V22 PolarHBondContact O-N 2.9Å; V22-N25 PolarHBondContact O-N 2.99Å; V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.45Å; V22-V36 HydrophobicContact CG1-CG1 4Å; V22-V36 HydrophobicContact CG1-CG2 4.16Å; V22-I90 HydrophobicContact CG1-CD1 4.15Å; V22-I90 HydrophobicContact CG2-CD1 3.68Å; V22-L180 HydrophobicContact CG1-CD1 4.02Å; V22-L180 HydrophobicContact CG1-CG 4.29Å; V22-L180 HydrophobicContact CG2-CG 4.47Å; V22-M181 HydrophobicContact CG2-CG 3.84Å
23G98.9Very high98Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-60.9-44.2175.300000112.5A19 I21 A27 N72A19-G23 WeakPolarHBondContact O-CA 3.45Å; A19-G23 PolarHBondContact O-N 3.07Å; I21-G23 VanDerWaalsContact C-N 3.34Å; I21-G23 PolarHBondContact O-N 3.4Å; G23-A27 WeakPolarHBondContact O-CB 3.35Å; G23-A27 PolarHBondContact O-N 2.85Å; G23-A27 VanDerWaalsContact O-N 3.1Å; G23-N72 PolarHBondContact O-ND2 3.41Å
24G98.6Very high98.2Very high22 Ų2233.7 Ų33.723%0.22720%0.199CC..Hα-helixtrans-62.1-46.417800000112.4K20 I21 Q28K20-G24 PolarHBondContact O-N 3.34Å; I21-G24 PolarHBondContact O-N 3.46Å; I21-G24 VanDerWaalsContact O-N 3.17Å; G24-Q28 WeakPolarHBondContact O-CG 3.44Å
25N98.8Very high98.4Very high21 Ų2138 Ų3811%0.11222%0.215CC..Hα-helixtrans-69.4-43.8179.7-74.1-8.7000112.1I21 V22 A27 Q28 L29 L180 Q182I21-N25 PolarHBondContact O-N 2.86Å; V22-N25 PolarHBondContact O-N 2.99Å; N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 3.23Å; N25-Q28 PolarHBondContact O-N 3.08Å; N25-L29 HydrophobicContact CB-CD1 4.29Å; N25-L29 WeakPolarHBondContact O-CB 3.25Å; N25-L29 WeakPolarHBondContact O-CG 3.37Å; N25-L29 PolarHBondContact O-N 3.13Å; N25-L180 VanDerWaalsContact CB-O 3.29Å; N25-L180 WeakPolarHBondContact CB-O 3.35Å; N25-L180 PolarHBondContact ND2-O 3.45Å; N25-Q182 PolarHBondContact ND2-O 2.64Å
26A98.7Very high98.4Very high2 Ų238 Ų382%0.01721%0.214CC..Hα-helixtrans-62.9-32.4178.900000112.6V22 Q28 F32 V36V22-A26 WeakPolarHBondContact O-CB 3.46Å; V22-A26 PolarHBondContact O-N 3.45Å; A26-Q28 VanDerWaalsContact C-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.19Å; A26-F32 HydrophobicContact CB-CB 4.02Å; A26-V36 HydrophobicContact CB-CG2 3.62Å
27A98.4Very high98.4Very high55 Ų5538.3 Ų38.346%0.45522%0.216SC..Hα-helixtrans-68.9-22.6174.200000113.7G23 N25G23-A27 WeakPolarHBondContact O-CB 3.35Å; G23-A27 PolarHBondContact O-N 2.85Å; G23-A27 VanDerWaalsContact O-N 3.1Å; N25-A27 VanDerWaalsContact C-N 3.26Å; N25-A27 PolarHBondContact O-N 3.23Å
28Q97.9Very high98.5Very high158 Ų15838.3 Ų38.374%0.73822%0.216SC*.Hα-helixtrans-104.8-28.9-173.6-67178.88.300113.6G24 N25 A26G24-Q28 WeakPolarHBondContact O-CG 3.44Å; N25-Q28 PolarHBondContact O-N 3.08Å; A26-Q28 VanDerWaalsContact C-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.19Å
29L98.1Very high98.5Very high65 Ų6539.7 Ų39.734%0.3422%0.222SC..  trans-101.1113.7-172.4-63.5176.8000111N25 Q31 F32 E179N25-L29 HydrophobicContact CB-CD1 4.29Å; N25-L29 WeakPolarHBondContact O-CB 3.25Å; N25-L29 WeakPolarHBondContact O-CG 3.37Å; N25-L29 PolarHBondContact O-N 3.13Å; L29-Q31 PolarHBondContact O-N 3.11Å; L29-F32 HydrophobicContact CB-CD2 3.89Å; L29-F32 HydrophobicContact CB-CE2 4.41Å; L29-F32 HydrophobicContact CD1-CD2 4.19Å; L29-F32 HydrophobicContact CD1-CE2 4Å; L29-F32 PolarHBondContact O-N 3.45Å; L29-E179 WeakPolarHBondContact CD1-O 3.34Å
30A96.6Very high98.5Very high101 Ų10139.7 Ų39.784%0.83522%0.222SC*.THydrogen-bonded Turntrans-59.4-16.1-173.900000115.8F32A30-F32 VanDerWaalsContact C-N 3.32Å
31Q97Very high98.3Very high78 Ų7844 Ų4436%0.36424%0.241SC..THydrogen-bonded Turntrans-79-14.9177.372.1-168.223.600113.5S3 K4 L29 E179S3-Q31 CarbonylContact C-O 3.56Å; S3-Q31 WeakPolarHBondContact CA-O 3.38Å; K4-Q31 PolarHBondContact N-O 3.45Å; L29-Q31 PolarHBondContact O-N 3.11Å; Q31-E179 PolarHBondContact NE2-OE2 3.26Å
32F98.6Very high98.2Very high3 Ų345.8 Ų45.81%0.01325%0.249CC..EExtended strand (participates in β ladder)trans-107.3145.9175.6-58.9-66.9000110.1K4 V6 A26 L29 A30 I88 L176 L180K4-F32 HydrophobicContact CB-CD1 3.92Å; K4-F32 HydrophobicContact CB-CE1 4.4Å; K4-F32 WeakPolarHBondContact O-CA 3.47Å; V6-F32 HydrophobicContact CG2-CD1 4.2Å; A26-F32 HydrophobicContact CB-CB 4.02Å; L29-F32 HydrophobicContact CB-CD2 3.89Å; L29-F32 HydrophobicContact CB-CE2 4.41Å; L29-F32 HydrophobicContact CD1-CD2 4.19Å; L29-F32 HydrophobicContact CD1-CE2 4Å; L29-F32 PolarHBondContact O-N 3.45Å; A30-F32 VanDerWaalsContact C-N 3.32Å; F32-I88 HydrophobicContact CE1-CD1 3.91Å; F32-L176 HydrophobicContact CE1-CD1 3.81Å; F32-L176 HydrophobicContact CE1-CG 4.22Å; F32-L176 HydrophobicContact CZ-CD1 3.64Å; F32-L176 HydrophobicContact CZ-CG 4.2Å; F32-L180 HydrophobicContact CD1-CD1 3.88Å; F32-L180 HydrophobicContact CD2-CD1 3.91Å; F32-L180 HydrophobicContact CE1-CB 4.06Å; F32-L180 HydrophobicContact CE1-CD1 3.93Å; F32-L180 HydrophobicContact CE1-CD2 4.3Å; F32-L180 HydrophobicContact CE1-CG 4.32Å; F32-L180 HydrophobicContact CE2-CB 3.99Å; F32-L180 HydrophobicContact CE2-CD1 3.94Å; F32-L180 HydrophobicContact CG-CD1 3.9Å; F32-L180 HydrophobicContact CZ-CB 3.59Å; F32-L180 HydrophobicContact CZ-CD1 3.96Å; F32-L180 HydrophobicContact CZ-CG 4.26Å
33D98.6Very high98Very high36 Ų3647.7 Ų47.719%0.19326%0.258CS..EExtended strand (participates in β ladder)trans-66.8132.5169.8-168.6-68.9000107.7K4 K5 R35K4-D33 PolarHBondContact O-N 3.45Å; K5-D33 HydrophobicContact CB-CB 4.48Å; K5-D33 HydrophobicContact CG-CB 3.87Å; D33-R35 PolarHBondContact O-N 2.93Å; D33-R35 WeakPolarHBondContact OD1-CB 3.14Å; D33-R35 PolarHBondContact OD1-N 3.06Å
34P98.3Very high97.9Very high71 Ų7152.2 Ų52.246%0.46128%0.282SS..EExtended strand (participates in β ladder)trans-62.3-26.8-178.925.5-34.6000111.7V36 N72P34-V36 PolarHBondContact O-N 3.34Å; P34-N72 VanDerWaalsContact O-CB 3.24Å; P34-N72 WeakPolarHBondContact O-CB 3.45Å; P34-N72 PolarHBondContact O-ND2 3.34Å
35R98.6Very high97.7Very high124 Ų12453.9 Ų53.947%0.46829%0.285SS..EExtended strand (participates in β ladder)trans-80.3118178.1-177.4176.4173.8-91.71.5110.6D33 T37 V74D33-R35 PolarHBondContact O-N 2.93Å; D33-R35 WeakPolarHBondContact OD1-CB 3.14Å; D33-R35 PolarHBondContact OD1-N 3.06Å; R35-T37 VanDerWaalsContact CZ-CG2 3.44Å; R35-V74 HydrophobicContact CG-CG2 4.25Å
36V98.9Very high97.5Very high0 Ų056.9 Ų56.90%032%0.321CS..EExtended strand (participates in β ladder)trans-106.3122.3172.51790000108.6V6 I8 V22 A26 P34 N72 V73 V74V6-V36 HydrophobicContact CB-CG2 4.49Å; V6-V36 HydrophobicContact CG1-CG1 4.45Å; I8-V36 HydrophobicContact CD1-CG1 3.9Å; I8-V36 HydrophobicContact CG1-CG1 4.11Å; V22-V36 HydrophobicContact CG1-CG1 4Å; V22-V36 HydrophobicContact CG1-CG2 4.16Å; A26-V36 HydrophobicContact CB-CG2 3.62Å; P34-V36 PolarHBondContact O-N 3.34Å; V36-N72 PolarHBondContact N-O 2.9Å; V36-V73 HydrophobicContact CB-CG2 4.4Å; V36-V73 CarbonylContact O-C 3.57Å; V36-V73 WeakPolarHBondContact O-CA 3.31Å; V36-V74 PolarHBondContact O-N 3Å
37T98.9Very high97.4Very high7 Ų759.7 Ų59.74%0.04335%0.35CS..EExtended strand (participates in β ladder)trans-86.7143.7171.846.30000110.2V6 C7 I8 R35 V74 V76 A82V6-T37 PolarHBondContact O-N 2.87Å; V6-T37 VanDerWaalsContact O-N 3.11Å; V6-T37 PolarHBondContact O-OG1 3.48Å; C7-T37 CarbonylContact C-O 3.5Å; C7-T37 WeakPolarHBondContact CA-O 3.44Å; C7-T37 WeakPolarHBondContact CA-OG1 3.22Å; C7-T37 WeakPolarHBondContact CB-OG1 3.17Å; I8-T37 PolarHBondContact N-O 3.33Å; R35-T37 VanDerWaalsContact CZ-CG2 3.44Å; T37-V74 CarbonylContact C-O 3.59Å; T37-V74 WeakPolarHBondContact CA-O 3.38Å; T37-V76 HydrophobicContact CG2-CG2 4.18Å; T37-A82 WeakPolarHBondContact CB-O 3.07Å; T37-A82 PolarHBondContact OG1-O 3.26Å
38M98.9Very high97.3Very high0 Ų061.8 Ų61.80%035%0.349CS..EExtended strand (participates in β ladder)trans-128.9115.9172.5-178.3175.461.800108.4I8 A19 V40 I54 L69 V73 V74 A75 V76I8-M38 HydrophobicContact CB-CB 4.31Å; I8-M38 HydrophobicContact CB-CG 4.18Å; I8-M38 HydrophobicContact CG2-CG 4.28Å; I8-M38 CarbonylContact O-C 3.6Å; I8-M38 WeakPolarHBondContact O-CA 3.35Å; A19-M38 HydrophobicContact CB-SD 3.79Å; M38-V40 HydrophobicContact CE-CG2 3.97Å; M38-V40 HydrophobicContact CG-CG2 4.38Å; M38-V40 PolarHBondContact O-N 2.75Å; M38-I54 HydrophobicContact CE-CD1 4.25Å; M38-I54 HydrophobicContact CE-CG2 4.18Å; M38-L69 HydrophobicContact CE-CD1 3.83Å; M38-V73 HydrophobicContact CB-CG1 4.13Å; M38-V73 HydrophobicContact CE-CG1 4.3Å; M38-V74 PolarHBondContact N-O 3.08Å; M38-A75 CarbonylContact O-C 3.54Å; M38-A75 WeakPolarHBondContact O-CA 3.44Å; M38-V76 PolarHBondContact O-N 3.24Å
39W98.8Very high97.3Very high29 Ų2958.9 Ų58.911%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-68.4125.2171.4174.661.7000109.8I8 V9 G10 F41 V76 P77 V79 A82 V93 I101I8-W39 PolarHBondContact O-N 3.02Å; V9-W39 HydrophobicContact CG1-CE3 3.9Å; G10-W39 CarbonylContact C-O 3.59Å; G10-W39 PolarHBondContact N-O 2.91Å; W39-F41 HydrophobicContact CH2-CB 4.38Å; W39-F41 HydrophobicContact CZ2-CB 4.25Å; W39-F41 HydrophobicContact CZ2-CD2 4.37Å; W39-V76 WeakPolarHBondContact CA-O 3.28Å; W39-P77 PolarHBondContact NE1-O 2.89Å; W39-V79 HydrophobicContact CB-CG2 4.19Å; W39-V79 VanDerWaalsContact CD1-CA 3.41Å; W39-V79 HydrophobicContact CD2-CB 4.04Å; W39-V79 HydrophobicContact CD2-CG2 3.83Å; W39-V79 HydrophobicContact CE3-CG2 4.36Å; W39-V79 HydrophobicContact CG-CB 3.83Å; W39-V79 HydrophobicContact CG-CG2 3.72Å; W39-A82 HydrophobicContact CB-CB 3.87Å; W39-V93 HydrophobicContact CE3-CG1 4.46Å; W39-V93 HydrophobicContact CZ3-CG1 3.89Å; W39-I101 HydrophobicContact CE3-CD1 4.43Å; W39-I101 HydrophobicContact CH2-CD1 3.71Å; W39-I101 HydrophobicContact CH2-CG1 3.93Å; W39-I101 HydrophobicContact CZ3-CD1 3.47Å; W39-I101 VanDerWaalsContact CZ3-CD1 3.47Å; W39-I101 HydrophobicContact CZ3-CG1 4.05Å
40V98.6Very high97.3Very high0 Ų055.8 Ų55.80%032%0.317CS..  trans-120.7119.6179.1177.80000107.8S11 M38 E42 L50 T51 I54 A75 V76 P77S11-V40 WeakPolarHBondContact OG-CA 3.38Å; M38-V40 HydrophobicContact CE-CG2 3.97Å; M38-V40 HydrophobicContact CG-CG2 4.38Å; M38-V40 PolarHBondContact O-N 2.75Å; V40-E42 PolarHBondContact O-N 3.08Å; V40-L50 HydrophobicContact CG1-CB 4.35Å; V40-L50 HydrophobicContact CG1-CD2 3.78Å; V40-L50 HydrophobicContact CG1-CG 3.93Å; V40-T51 HydrophobicContact CB-CG2 3.77Å; V40-T51 HydrophobicContact CG1-CG2 4.01Å; V40-T51 HydrophobicContact CG2-CG2 4.44Å; V40-I54 HydrophobicContact CG1-CD1 4.14Å; V40-I54 HydrophobicContact CG2-CD1 3.87Å; V40-A75 HydrophobicContact CG2-CB 3.62Å; V40-V76 PolarHBondContact N-O 3.46Å; V40-P77 WeakPolarHBondContact O-CA 3.23Å
41F95.6Very high97.4Very high134 Ų13451.6 Ų51.659%0.58828%0.281SS*.  trans-60.4122.4167.7-178.4-99.3000108.7W39 E43W39-F41 HydrophobicContact CH2-CB 4.38Å; W39-F41 HydrophobicContact CZ2-CB 4.25Å; W39-F41 HydrophobicContact CZ2-CD2 4.37Å; F41-E43 HydrophobicContact CD1-CG 3.82Å; F41-E43 HydrophobicContact CE1-CG 4.24Å; F41-E43 PolarHBondContact O-N 3.4Å
42E96.4Very high97.5Very high56 Ų5652.1 Ų52.126%0.26228%0.284SS..  trans-74.5123.2-168.6-170.167.3-83.900111.5V40 K49 L50 T51 P77V40-E42 PolarHBondContact O-N 3.08Å; E42-K49 HydrophobicContact CG-CB 4.46Å; E42-K49 HydrophobicContact CG-CD 3.87Å; E42-K49 HydrophobicContact CG-CG 4.41Å; E42-L50 PolarHBondContact OE1-N 3.21Å; E42-T51 PolarHBondContact OE1-N 3.28Å; E42-T51 VanDerWaalsContact OE1-N 3.11Å; E42-T51 PolarHBondContact OE1-OG1 2.84Å; E42-T51 WeakPolarHBondContact OE2-CB 3.5Å; E42-T51 WeakPolarHBondContact OE2-CG2 3.46Å; E42-T51 PolarHBondContact OE2-OG1 3.27Å; E42-P77 HydrophobicContact CB-CB 4.16Å
43E95.5Very high97.5Very high40 Ų4052.3 Ų52.319%0.18729%0.285CS..  trans-128150.8-178.5-59.3-165.476.900110.3F41 I45 L50 K62 Y63F41-E43 HydrophobicContact CD1-CG 3.82Å; F41-E43 HydrophobicContact CE1-CG 4.24Å; F41-E43 PolarHBondContact O-N 3.4Å; E43-I45 HydrophobicContact CB-CD1 4.47Å; E43-L50 HydrophobicContact CB-CB 4.38Å; E43-L50 PolarHBondContact O-N 3.34Å; E43-K62 IonicContact OE1-NZ 3.22Å; E43-K62 PolarHBondContact OE1-NZ 3.32Å; E43-K62 IonicContact OE2-NZ 2.77Å; E43-K62 PolarHBondContact OE2-NZ 2.94Å; E43-Y63 VanDerWaalsContact OE2-CE2 3.27Å; E43-Y63 WeakPolarHBondContact OE2-CE2 3.45Å; E43-Y63 PolarHBondContact OE2-OH 3.21Å
44D97.1Very high97.5Very high95 Ų9550.6 Ų50.651%0.50828%0.276SS..EExtended strand (participates in β ladder)trans-92.1121173.2-166-78.6000110.2G47D44-G47 VanDerWaalsContact OD1-CA 3.31Å; D44-G47 WeakPolarHBondContact OD1-CA 3.39Å; D44-G47 PolarHBondContact OD1-N 3.08Å
45I94.5Very high97.5Very high56 Ų5650 Ų5029%0.28727%0.269SS..EExtended strand (participates in β ladder)trans-121.693.9178.5-50.3-63.9000108.1E43 G47 K48 L50 I53 V61 K62E43-I45 HydrophobicContact CB-CD1 4.47Å; I45-G47 PolarHBondContact O-N 3.25Å; I45-K48 PolarHBondContact N-O 3.07Å; I45-K48 PolarHBondContact O-N 2.9Å; I45-L50 HydrophobicContact CG1-CB 4.36Å; I45-L50 HydrophobicContact CG1-CD1 4.3Å; I45-I53 HydrophobicContact CB-CD1 3.75Å; I45-I53 HydrophobicContact CG1-CD1 4.37Å; I45-I53 HydrophobicContact CG2-CD1 4.18Å; I45-V61 HydrophobicContact CG2-CG2 4.18Å; I45-K62 HydrophobicContact CD1-CB 4.35Å; I45-K62 HydrophobicContact CD1-CD 3.95Å
46G93.6Very high97.5Very high85 Ų8548.4 Ų48.488%0.87627%0.273SS*.THydrogen-bonded Turntrans64.937.1179.100000113.5K48G46-K48 VanDerWaalsContact C-N 3.35Å
47G95.6Very high97.5Very high60 Ų6052.3 Ų52.362%0.61929%0.291SS*.THydrogen-bonded Turntrans83.55.5-179.900000114.8D44 I45D44-G47 VanDerWaalsContact OD1-CA 3.31Å; D44-G47 WeakPolarHBondContact OD1-CA 3.39Å; D44-G47 PolarHBondContact OD1-N 3.08Å; I45-G47 PolarHBondContact O-N 3.25Å
48K97.5Very high97.5Very high99 Ų9954.4 Ų54.443%0.4330%0.301SS..EExtended strand (participates in β ladder)trans-117.4145.7174.4-68.8-171.1178.9-168.60110.9I45 G46 I53I45-K48 PolarHBondContact N-O 3.07Å; I45-K48 PolarHBondContact O-N 2.9Å; G46-K48 VanDerWaalsContact C-N 3.35Å; K48-I53 HydrophobicContact CB-CD1 3.94Å; K48-I53 HydrophobicContact CB-CG1 3.94Å; K48-I53 HydrophobicContact CD-CG1 4.43Å
49K98.5Very high97.5Very high97 Ų9755.9 Ų55.942%0.42231%0.307SS..EExtended strand (participates in β ladder)trans-70.6137174.6-65.7-47.4-171.6-172.40110.6E42 T51 E52 I53E42-K49 HydrophobicContact CG-CB 4.46Å; E42-K49 HydrophobicContact CG-CD 3.87Å; E42-K49 HydrophobicContact CG-CG 4.41Å; K49-T51 PolarHBondContact O-N 2.96Å; K49-E52 HydrophobicContact CB-CB 4.14Å; K49-E52 WeakPolarHBondContact O-CB 3.48Å; K49-E52 PolarHBondContact O-N 3.47Å; K49-E52 VanDerWaalsContact O-N 3.1Å; K49-I53 WeakPolarHBondContact O-CG1 3.25Å; K49-I53 PolarHBondContact O-N 2.91Å
50L98.1Very high97.4Very high0 Ų054.6 Ų54.60%030%0.302CS..Hα-helixtrans-60.1-37.3-179.9-179.758.7000111.2V40 E42 E43 I45 I53 I54 V61 Y63V40-L50 HydrophobicContact CG1-CB 4.35Å; V40-L50 HydrophobicContact CG1-CD2 3.78Å; V40-L50 HydrophobicContact CG1-CG 3.93Å; E42-L50 PolarHBondContact OE1-N 3.21Å; E43-L50 HydrophobicContact CB-CB 4.38Å; E43-L50 PolarHBondContact O-N 3.34Å; I45-L50 HydrophobicContact CG1-CB 4.36Å; I45-L50 HydrophobicContact CG1-CD1 4.3Å; L50-I53 PolarHBondContact O-N 3.37Å; L50-I54 HydrophobicContact CD1-CD1 4.04Å; L50-I54 HydrophobicContact CD1-CG1 4.19Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 HydrophobicContact CG-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.49Å; L50-I54 PolarHBondContact O-N 2.99Å; L50-V61 HydrophobicContact CD1-CG2 4.36Å; L50-Y63 HydrophobicContact CD2-CD2 4.4Å; L50-Y63 HydrophobicContact CD2-CE2 4.2Å
51T98.6Very high97.3Very high13 Ų1356.7 Ų56.78%0.0832%0.315CS..Hα-helixtrans-61.6-42.6174.259.10000112.5V40 E42 K49 I54 N55 A75 P77V40-T51 HydrophobicContact CB-CG2 3.77Å; V40-T51 HydrophobicContact CG1-CG2 4.01Å; V40-T51 HydrophobicContact CG2-CG2 4.44Å; E42-T51 PolarHBondContact OE1-N 3.28Å; E42-T51 VanDerWaalsContact OE1-N 3.11Å; E42-T51 PolarHBondContact OE1-OG1 2.84Å; E42-T51 WeakPolarHBondContact OE2-CB 3.5Å; E42-T51 WeakPolarHBondContact OE2-CG2 3.46Å; E42-T51 PolarHBondContact OE2-OG1 3.27Å; K49-T51 PolarHBondContact O-N 2.96Å; T51-I54 PolarHBondContact O-N 3.12Å; T51-N55 WeakPolarHBondContact O-CB 3.24Å; T51-N55 VanDerWaalsContact O-CG 3.29Å; T51-N55 PolarHBondContact O-N 3.2Å; T51-N55 PolarHBondContact O-ND2 3.25Å; T51-A75 HydrophobicContact CG2-CB 4.21Å; T51-P77 HydrophobicContact CG2-CB 3.95Å; T51-P77 HydrophobicContact CG2-CG 4.36Å
52E98.5Very high97.2Very high89 Ų8952.8 Ų52.842%0.41630%0.298SS..Hα-helixtrans-61.2-45.4176-174.1-164145.100110.7K49 N55 T56K49-E52 HydrophobicContact CB-CB 4.14Å; K49-E52 WeakPolarHBondContact O-CB 3.48Å; K49-E52 PolarHBondContact O-N 3.47Å; K49-E52 VanDerWaalsContact O-N 3.1Å; E52-N55 PolarHBondContact O-N 3.22Å; E52-T56 HydrophobicContact CG-CG2 4.46Å; E52-T56 WeakPolarHBondContact O-CB 3.37Å; E52-T56 WeakPolarHBondContact O-CG2 3.19Å; E52-T56 PolarHBondContact O-N 3.33Å; E52-T56 PolarHBondContact O-OG1 2.81Å
53I98.6Very high97.1Very high8 Ų852.3 Ų52.34%0.04129%0.294CS..Hα-helixtrans-60.6-49.1177-65.1168.1000110.3I45 K48 K49 L50 N55 T56 Q57 V61I45-I53 HydrophobicContact CB-CD1 3.75Å; I45-I53 HydrophobicContact CG1-CD1 4.37Å; I45-I53 HydrophobicContact CG2-CD1 4.18Å; K48-I53 HydrophobicContact CB-CD1 3.94Å; K48-I53 HydrophobicContact CB-CG1 3.94Å; K48-I53 HydrophobicContact CD-CG1 4.43Å; K49-I53 WeakPolarHBondContact O-CG1 3.25Å; K49-I53 PolarHBondContact O-N 2.91Å; L50-I53 PolarHBondContact O-N 3.37Å; I53-N55 PolarHBondContact O-N 2.95Å; I53-T56 PolarHBondContact O-N 3.13Å; I53-T56 PolarHBondContact O-OG1 3.49Å; I53-Q57 HydrophobicContact CG2-CB 4.49Å; I53-Q57 HydrophobicContact CG2-CG 4.42Å; I53-Q57 WeakPolarHBondContact O-CA 3.4Å; I53-Q57 VanDerWaalsContact O-CB 3.27Å; I53-Q57 WeakPolarHBondContact O-CB 3.38Å; I53-Q57 PolarHBondContact O-N 2.87Å; I53-V61 HydrophobicContact CD1-CG2 4.28Å; I53-V61 HydrophobicContact CG2-CG1 3.83Å; I53-V61 HydrophobicContact CG2-CG2 3.88Å
54I98.8Very high97.1Very high0 Ų050.5 Ų50.50%029%0.286CS..Hα-helixtrans-62.3-44180-68.3165.6000110.7M38 V40 L50 T51 T56 H58 E59 N60 L69 A75M38-I54 HydrophobicContact CE-CD1 4.25Å; M38-I54 HydrophobicContact CE-CG2 4.18Å; V40-I54 HydrophobicContact CG1-CD1 4.14Å; V40-I54 HydrophobicContact CG2-CD1 3.87Å; L50-I54 HydrophobicContact CD1-CD1 4.04Å; L50-I54 HydrophobicContact CD1-CG1 4.19Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 HydrophobicContact CG-CG1 4.44Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.49Å; L50-I54 PolarHBondContact O-N 2.99Å; T51-I54 PolarHBondContact O-N 3.12Å; I54-T56 VanDerWaalsContact C-N 3.34Å; I54-T56 PolarHBondContact O-N 3.25Å; I54-H58 WeakPolarHBondContact O-CA 3.43Å; I54-H58 PolarHBondContact O-N 3.19Å; I54-E59 WeakPolarHBondContact CG1-O 3.44Å; I54-N60 HydrophobicContact CD1-CB 4.07Å; I54-N60 HydrophobicContact CG1-CB 4.16Å; I54-L69 HydrophobicContact CG2-CD1 3.88Å; I54-A75 HydrophobicContact CB-CB 3.81Å; I54-A75 HydrophobicContact CD1-CB 4.32Å; I54-A75 HydrophobicContact CG2-CB 3.67Å
55N98.8Very high97Very high58 Ų5849.8 Ų49.831%0.3129%0.286SS..Hα-helixtrans-72.1-25.3-177.5-73.7-30.7000113.8T51 E52 I53 H58 A75T51-N55 WeakPolarHBondContact O-CB 3.24Å; T51-N55 VanDerWaalsContact O-CG 3.29Å; T51-N55 PolarHBondContact O-N 3.2Å; T51-N55 PolarHBondContact O-ND2 3.25Å; E52-N55 PolarHBondContact O-N 3.22Å; I53-N55 PolarHBondContact O-N 2.95Å; N55-H58 PolarHBondContact O-CE1 2.83Å; N55-A75 PolarHBondContact ND2-O 2.82Å; N55-A75 PolarHBondContact OD1-N 2.96Å
56T98.5Very high97.1Very high90 Ų9050.2 Ų50.255%0.55231%0.305SS*.Hα-helixtrans-98.4-36.5-178.556.10000113.3E52 I53 I54E52-T56 HydrophobicContact CG-CG2 4.46Å; E52-T56 WeakPolarHBondContact O-CB 3.37Å; E52-T56 WeakPolarHBondContact O-CG2 3.19Å; E52-T56 PolarHBondContact O-N 3.33Å; E52-T56 PolarHBondContact O-OG1 2.81Å; I53-T56 PolarHBondContact O-N 3.13Å; I53-T56 PolarHBondContact O-OG1 3.49Å; I54-T56 VanDerWaalsContact C-N 3.34Å; I54-T56 PolarHBondContact O-N 3.25Å
57Q98.3Very high97.3Very high82 Ų8247.7 Ų47.738%0.38327%0.27SS..Hα-helixtrans-103.2-7.6-177.1-55-176.833.700112.7I53 E59 K68I53-Q57 HydrophobicContact CG2-CB 4.49Å; I53-Q57 HydrophobicContact CG2-CG 4.42Å; I53-Q57 WeakPolarHBondContact O-CA 3.4Å; I53-Q57 VanDerWaalsContact O-CB 3.27Å; I53-Q57 WeakPolarHBondContact O-CB 3.38Å; I53-Q57 PolarHBondContact O-N 2.87Å; Q57-E59 VanDerWaalsContact C-N 3.25Å; Q57-E59 PolarHBondContact O-N 3.3Å; Q57-K68 PolarHBondContact O-NZ 3.46Å
58H98.5Very high97.5Very high52 Ų5250.3 Ų50.324%0.24126%0.264CS..SBendtrans51.445-175.9-61.1-60.4000112.1I54 N55 K68 L69 P71I54-H58 WeakPolarHBondContact O-CA 3.43Å; I54-H58 PolarHBondContact O-N 3.19Å; N55-H58 PolarHBondContact O-CE1 2.83Å; H58-K68 CarbonylContact O-C 3.55Å; H58-K68 VanDerWaalsContact O-CA 3.24Å; H58-K68 WeakPolarHBondContact O-CA 3.49Å; H58-K68 WeakPolarHBondContact O-CD 3.45Å; H58-L69 WeakPolarHBondContact CB-O 3.47Å; H58-L69 PolarHBondContact O-N 3.03Å; H58-P71 VanDerWaalsContact CE1-CA 3.48Å; H58-P71 WeakPolarHBondContact CE1-CA 3.44Å
59E98.3Very high97.5Very high31 Ų3145.9 Ų45.915%0.14525%0.245CC..BIsolated β-bridgetrans-150.3132.3-177.4-177.6173.7164.400110.5I54 Q57 V61 G66 K68I54-E59 WeakPolarHBondContact CG1-O 3.44Å; Q57-E59 VanDerWaalsContact C-N 3.25Å; Q57-E59 PolarHBondContact O-N 3.3Å; E59-V61 VanDerWaalsContact C-N 3.35Å; E59-V61 HydrophobicContact CB-CG1 4.29Å; E59-V61 HydrophobicContact CG-CG1 3.9Å; E59-V61 PolarHBondContact O-N 3.26Å; E59-G66 PolarHBondContact OE1-N 3.5Å; E59-K68 HydrophobicContact CB-CD 4.17Å; E59-K68 IonicContact OE2-NZ 2.71Å; E59-K68 PolarHBondContact OE2-NZ 3.08Å
60N97.4Very high97.5Very high1 Ų142.4 Ų42.41%0.00523%0.232CC..  trans-87.980.1169-170.6-23.5000109.5S11 S16 I54 K62 Y63 L64S11-N60 PolarHBondContact O-ND2 3.43Å; S16-N60 PolarHBondContact OG-ND2 3.42Å; I54-N60 HydrophobicContact CD1-CB 4.07Å; I54-N60 HydrophobicContact CG1-CB 4.16Å; N60-K62 PolarHBondContact O-N 3.45Å; N60-K62 PolarHBondContact OD1-N 3.18Å; N60-Y63 PolarHBondContact O-N 3.34Å; N60-Y63 PolarHBondContact OD1-N 2.99Å; N60-Y63 VanDerWaalsContact OD1-N 3.13Å; N60-L64 CarbonylContact O-C 3.54Å; N60-L64 PolarHBondContact O-N 3.18Å
61V96.1Very high97.6Very high44 Ų4447 Ų4727%0.26726%0.262SS..THydrogen-bonded Turntrans-56.9-19-173.8-61.80000114.4I45 L50 I53 E59I45-V61 HydrophobicContact CG2-CG2 4.18Å; L50-V61 HydrophobicContact CD1-CG2 4.36Å; I53-V61 HydrophobicContact CD1-CG2 4.28Å; I53-V61 HydrophobicContact CG2-CG1 3.83Å; I53-V61 HydrophobicContact CG2-CG2 3.88Å; E59-V61 VanDerWaalsContact C-N 3.35Å; E59-V61 HydrophobicContact CB-CG1 4.29Å; E59-V61 HydrophobicContact CG-CG1 3.9Å; E59-V61 PolarHBondContact O-N 3.26Å
62K93.5Very high97.6Very high52 Ų5247.9 Ų47.923%0.22627%0.267CS..THydrogen-bonded Turntrans-89.2-49.6178.6-179.9173175.8-175.80112.5E43 I45 N60E43-K62 IonicContact OE1-NZ 3.22Å; E43-K62 PolarHBondContact OE1-NZ 3.32Å; E43-K62 IonicContact OE2-NZ 2.77Å; E43-K62 PolarHBondContact OE2-NZ 2.94Å; I45-K62 HydrophobicContact CD1-CB 4.35Å; I45-K62 HydrophobicContact CD1-CD 3.95Å; N60-K62 PolarHBondContact O-N 3.45Å; N60-K62 PolarHBondContact OD1-N 3.18Å
63Y93.9Very high97.6Very high46 Ų4643.7 Ų43.718%0.1825%0.247CC..THydrogen-bonded Turntrans-102.9-19.7-168.3-64.9-71.3000114.4S11 N13 E43 L50 N60S11-Y63 WeakPolarHBondContact O-CD2 3.37Å; N13-Y63 WeakPolarHBondContact CA-O 3.34Å; N13-Y63 VanDerWaalsContact CB-O 3.29Å; N13-Y63 WeakPolarHBondContact CB-O 3.3Å; N13-Y63 PolarHBondContact OD1-O 2.99Å; E43-Y63 VanDerWaalsContact OE2-CE2 3.27Å; E43-Y63 WeakPolarHBondContact OE2-CE2 3.45Å; E43-Y63 PolarHBondContact OE2-OH 3.21Å; L50-Y63 HydrophobicContact CD2-CD2 4.4Å; L50-Y63 HydrophobicContact CD2-CE2 4.2Å; N60-Y63 PolarHBondContact O-N 3.34Å; N60-Y63 PolarHBondContact OD1-N 2.99Å; N60-Y63 VanDerWaalsContact OD1-N 3.13Å
64L95.6Very high97.6Very high3 Ų345.2 Ų45.22%0.01626%0.256CS..SBendtrans-146.262.4176.7-168.272.8000110.5N13 A17 N60 H67 A157N13-L64 VanDerWaalsContact OD1-CD1 3.26Å; N13-L64 WeakPolarHBondContact OD1-CD1 3.47Å; A17-L64 HydrophobicContact CB-CD2 4.47Å; N60-L64 CarbonylContact O-C 3.54Å; N60-L64 PolarHBondContact O-N 3.18Å; L64-H67 HydrophobicContact CD2-CB 3.85Å; L64-H67 HydrophobicContact CG-CB 3.9Å; L64-A157 HydrophobicContact CD1-CB 3.69Å; L64-A157 HydrophobicContact CD2-CB 3.83Å; L64-A157 HydrophobicContact CG-CB 4.2Å
65P95.6Very high97.6Very high80 Ų8045.4 Ų45.452%0.51926%0.258SS..THydrogen-bonded Turntrans-66141.5-178.527.8-34.9000111.8H67P65-H67 PolarHBondContact O-ND1 3.46Å
66G97.3Very high97.6Very high65 Ų6543 Ų4367%0.6725%0.246SC*.THydrogen-bonded Turntrans89-3.2178.600000114.9E59E59-G66 PolarHBondContact OE1-N 3.5Å
67H98.4Very high97.6Very high32 Ų3241.6 Ų41.615%0.14824%0.238CC..  trans-116.3126.4-179.4-5688.3000111.7L64 P65 A157 D158L64-H67 HydrophobicContact CD2-CB 3.85Å; L64-H67 HydrophobicContact CG-CB 3.9Å; P65-H67 PolarHBondContact O-ND1 3.46Å; H67-A157 HydrophobicContact CB-CB 4.42Å; H67-D158 IonicContact CD2-OD1 2.84Å; H67-D158 IonicContact CE1-OD1 2.55Å; H67-D158 IonicContact NE2-OD1 2.92Å; H67-D158 PolarHBondContact NE2-OD1 3.22Å
68K98.3Very high97.6Very high115 Ų11541.1 Ų41.150%0.524%0.238SC..BIsolated β-bridgetrans-81.6131.5174.7-63.2-54.5-172.9-170.60111.9Q57 H58 E59Q57-K68 PolarHBondContact O-NZ 3.46Å; H58-K68 CarbonylContact O-C 3.55Å; H58-K68 VanDerWaalsContact O-CA 3.24Å; H58-K68 WeakPolarHBondContact O-CA 3.49Å; H58-K68 WeakPolarHBondContact O-CD 3.45Å; E59-K68 HydrophobicContact CB-CD 4.17Å; E59-K68 IonicContact OE2-NZ 2.71Å; E59-K68 PolarHBondContact OE2-NZ 3.08Å
69L98.7Very high97.6Very high6 Ų638.7 Ų38.73%0.03123%0.227CC..PPolyproline II helixtrans-79.8149.2166.5-59-178000109.6S16 A19 K20 M38 I54 H58 V73S16-L69 VanDerWaalsContact O-CD2 3.32Å; S16-L69 WeakPolarHBondContact O-CD2 3.37Å; A19-L69 HydrophobicContact CB-CD2 4.47Å; K20-L69 HydrophobicContact CB-CD2 4.27Å; M38-L69 HydrophobicContact CE-CD1 3.83Å; I54-L69 HydrophobicContact CG2-CD1 3.88Å; H58-L69 WeakPolarHBondContact CB-O 3.47Å; H58-L69 PolarHBondContact O-N 3.03Å; L69-V73 HydrophobicContact CD1-CG1 4.36Å
70P98.7Very high97.6Very high23 Ų2339 Ų3915%0.14923%0.231CC..PPolyproline II helixtrans-57140.2170.3-26.235.4000111.5K20 N72 V73K20-P70 WeakPolarHBondContact O-CG 3.38Å; P70-N72 WeakPolarHBondContact CB-OD1 3.4Å; P70-N72 PolarHBondContact O-N 3.27Å; P70-V73 HydrophobicContact CB-CG2 4.22Å; P70-V73 HydrophobicContact CG-CG2 4.37Å; P70-V73 WeakPolarHBondContact O-CB 3.47Å; P70-V73 PolarHBondContact O-N 3.43Å
71P98.4Very high97.7Very high96 Ų9644.2 Ų44.262%0.62326%0.255SS*.THydrogen-bonded Turntrans-60.3-19.9-177.1-2735.3000115.4H58 V73H58-P71 VanDerWaalsContact CE1-CA 3.48Å; H58-P71 WeakPolarHBondContact CE1-CA 3.44Å; P71-V73 VanDerWaalsContact C-N 3.31Å
72N98.7Very high97.8Very high33 Ų3342.1 Ų42.118%0.17624%0.243CC..THydrogen-bonded Turntrans-82.7-5177.264.8-61.5000114G23 P34 V36 P70G23-N72 PolarHBondContact O-ND2 3.41Å; P34-N72 VanDerWaalsContact O-CB 3.24Å; P34-N72 WeakPolarHBondContact O-CB 3.45Å; P34-N72 PolarHBondContact O-ND2 3.34Å; V36-N72 PolarHBondContact N-O 2.9Å; P70-N72 WeakPolarHBondContact CB-OD1 3.4Å; P70-N72 PolarHBondContact O-N 3.27Å
73V98.9Very high98.1Very high1 Ų139.8 Ų39.81%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-84.1114.6168.3-179.70000108.8A19 V36 M38 L69 P70 P71A19-V73 HydrophobicContact CB-CG1 4.14Å; A19-V73 WeakPolarHBondContact O-CG2 3.37Å; V36-V73 HydrophobicContact CB-CG2 4.4Å; V36-V73 CarbonylContact O-C 3.57Å; V36-V73 WeakPolarHBondContact O-CA 3.31Å; M38-V73 HydrophobicContact CB-CG1 4.13Å; M38-V73 HydrophobicContact CE-CG1 4.3Å; L69-V73 HydrophobicContact CD1-CG1 4.36Å; P70-V73 HydrophobicContact CB-CG2 4.22Å; P70-V73 HydrophobicContact CG-CG2 4.37Å; P70-V73 WeakPolarHBondContact O-CB 3.47Å; P70-V73 PolarHBondContact O-N 3.43Å; P71-V73 VanDerWaalsContact C-N 3.31Å
74V98.9Very high98.3Very high39 Ų3943.6 Ų43.624%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-109.5117-175.7-1770000109.9R35 V36 T37 M38 V76R35-V74 HydrophobicContact CG-CG2 4.25Å; V36-V74 PolarHBondContact O-N 3Å; T37-V74 CarbonylContact C-O 3.59Å; T37-V74 WeakPolarHBondContact CA-O 3.38Å; M38-V74 PolarHBondContact N-O 3.08Å; V74-V76 HydrophobicContact CG1-CG2 4.31Å
75A98.9Very high98.3Very high4 Ų447.3 Ų47.33%0.03327%0.272CS..EExtended strand (participates in β ladder)trans-71.6130.5172.500000111.1M38 V40 T51 I54 N55M38-A75 CarbonylContact O-C 3.54Å; M38-A75 WeakPolarHBondContact O-CA 3.44Å; V40-A75 HydrophobicContact CG2-CB 3.62Å; T51-A75 HydrophobicContact CG2-CB 4.21Å; I54-A75 HydrophobicContact CB-CB 3.81Å; I54-A75 HydrophobicContact CD1-CB 4.32Å; I54-A75 HydrophobicContact CG2-CB 3.67Å; N55-A75 PolarHBondContact ND2-O 2.82Å; N55-A75 PolarHBondContact OD1-N 2.96Å
76V98.8Very high98.5Very high8 Ų843.6 Ų43.65%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-131126.9-179.2-175.50000109.1T37 M38 W39 V40 V74 D78 Q81 A82T37-V76 HydrophobicContact CG2-CG2 4.18Å; M38-V76 PolarHBondContact O-N 3.24Å; W39-V76 WeakPolarHBondContact CA-O 3.28Å; V40-V76 PolarHBondContact N-O 3.46Å; V74-V76 HydrophobicContact CG1-CG2 4.31Å; V76-D78 WeakPolarHBondContact CG1-O 3.5Å; V76-Q81 HydrophobicContact CG1-CB 4Å; V76-Q81 HydrophobicContact CG1-CG 4.04Å; V76-A82 HydrophobicContact CB-CB 3.89Å; V76-A82 HydrophobicContact CG1-CB 4.07Å; V76-A82 HydrophobicContact CG2-CB 4.5Å
77P98.4Very high98.5Very high60 Ų6041 Ų4139%0.3922%0.219SC..SBendtrans-76.9-29.4-17627.3-31.9000113.6W39 V40 E42 T51W39-P77 PolarHBondContact NE1-O 2.89Å; V40-P77 WeakPolarHBondContact O-CA 3.23Å; E42-P77 HydrophobicContact CB-CB 4.16Å; T51-P77 HydrophobicContact CG2-CB 3.95Å; T51-P77 HydrophobicContact CG2-CG 4.36Å
78D98.6Very high98.6Very high72 Ų7239.6 Ų39.639%0.38521%0.212SC..  trans-91.7126.8178.4-177.9-93.3000110.9V76 V80 Q81 A82V76-D78 WeakPolarHBondContact CG1-O 3.5Å; D78-V80 WeakPolarHBondContact OD1-CA 3.45Å; D78-V80 WeakPolarHBondContact OD1-CB 3.17Å; D78-V80 PolarHBondContact OD1-N 3.21Å; D78-Q81 HydrophobicContact CB-CB 3.96Å; D78-Q81 WeakPolarHBondContact OD1-CB 3.48Å; D78-Q81 PolarHBondContact OD1-N 3.39Å; D78-A82 WeakPolarHBondContact O-CB 3.31Å; D78-A82 PolarHBondContact O-N 3.34Å
79V98.7Very high98.6Very high1 Ų134.1 Ų34.11%0.00619%0.189CC..Hα-helixtrans-72.9-31.3-173.472.70000112.4V9 W39 A82 A83 I101 Q104 L105V9-V79 HydrophobicContact CG1-CG2 4.02Å; W39-V79 HydrophobicContact CB-CG2 4.19Å; W39-V79 VanDerWaalsContact CD1-CA 3.41Å; W39-V79 HydrophobicContact CD2-CB 4.04Å; W39-V79 HydrophobicContact CD2-CG2 3.83Å; W39-V79 HydrophobicContact CE3-CG2 4.36Å; W39-V79 HydrophobicContact CG-CB 3.83Å; W39-V79 HydrophobicContact CG-CG2 3.72Å; V79-A82 PolarHBondContact O-N 3.31Å; V79-A83 WeakPolarHBondContact O-CB 3.29Å; V79-A83 PolarHBondContact O-N 3.45Å; V79-A83 VanDerWaalsContact O-N 3.07Å; V79-I101 HydrophobicContact CG2-CG2 4.14Å; V79-Q104 HydrophobicContact CG1-CB 3.67Å; V79-Q104 HydrophobicContact CG1-CG 4.4Å; V79-L105 HydrophobicContact CG1-CD2 4.33Å; V79-L105 HydrophobicContact CG1-CG 4.46Å; V79-L105 HydrophobicContact CG2-CD1 4.28Å; V79-L105 HydrophobicContact CG2-CD2 4.02Å; V79-L105 HydrophobicContact CG2-CG 4.17Å; V79-L105 WeakPolarHBondContact O-CD2 3.37Å
80V98.7Very high98.6Very high37 Ų3733.9 Ų33.922%0.22419%0.187CC..Hα-helixtrans-70.9-45.8178.4175.60000109.7D78 A82 A83 E84 Q104 H108D78-V80 WeakPolarHBondContact OD1-CA 3.45Å; D78-V80 WeakPolarHBondContact OD1-CB 3.17Å; D78-V80 PolarHBondContact OD1-N 3.21Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.22Å; V80-A83 PolarHBondContact O-N 2.93Å; V80-E84 PolarHBondContact O-N 3.46Å; V80-Q104 HydrophobicContact CG2-CB 4.47Å; V80-Q104 VanDerWaalsContact CG2-O 3.31Å; V80-Q104 WeakPolarHBondContact CG2-O 3.25Å; V80-H108 HydrophobicContact CG1-CB 3.75Å
81Q98.7Very high98.6Very high112 Ų11232.8 Ų32.852%0.52318%0.18SC..Hα-helixtrans-62.3-38.7173.7-170.5-175.419.600111.9V76 D78 A83 E84V76-Q81 HydrophobicContact CG1-CB 4Å; V76-Q81 HydrophobicContact CG1-CG 4.04Å; D78-Q81 HydrophobicContact CB-CB 3.96Å; D78-Q81 WeakPolarHBondContact OD1-CB 3.48Å; D78-Q81 PolarHBondContact OD1-N 3.39Å; Q81-A83 VanDerWaalsContact C-N 3.32Å; Q81-A83 PolarHBondContact O-N 3.25Å; Q81-E84 WeakPolarHBondContact O-CB 3.24Å; Q81-E84 PolarHBondContact O-N 3.45Å
82A98.8Very high98.6Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-62.8-40.8175.900000111.6C7 T37 W39 V76 D78 V79 V80 E84C7-A82 VanDerWaalsContact SG-C 3.51Å; C7-A82 PolarHBondContact SG-O 2.96Å; T37-A82 WeakPolarHBondContact CB-O 3.07Å; T37-A82 PolarHBondContact OG1-O 3.26Å; W39-A82 HydrophobicContact CB-CB 3.87Å; V76-A82 HydrophobicContact CB-CB 3.89Å; V76-A82 HydrophobicContact CG1-CB 4.07Å; V76-A82 HydrophobicContact CG2-CB 4.5Å; D78-A82 WeakPolarHBondContact O-CB 3.31Å; D78-A82 PolarHBondContact O-N 3.34Å; V79-A82 PolarHBondContact O-N 3.31Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.22Å; A82-E84 VanDerWaalsContact C-N 3.33Å
83A98.7Very high98.4Very high2 Ų227.8 Ų27.82%0.01715%0.149CC..Hα-helixtrans-83.6-4-178.200000114.5V79 V80 Q81 D85 A86 L89 L105 L109V79-A83 WeakPolarHBondContact O-CB 3.29Å; V79-A83 PolarHBondContact O-N 3.45Å; V79-A83 VanDerWaalsContact O-N 3.07Å; V80-A83 PolarHBondContact O-N 2.93Å; Q81-A83 VanDerWaalsContact C-N 3.32Å; Q81-A83 PolarHBondContact O-N 3.25Å; A83-D85 PolarHBondContact O-N 3.05Å; A83-A86 VanDerWaalsContact O-CB 3.29Å; A83-A86 WeakPolarHBondContact O-CB 3.49Å; A83-A86 PolarHBondContact O-N 2.96Å; A83-L89 HydrophobicContact CB-CD2 3.97Å; A83-L105 HydrophobicContact CB-CD2 3.46Å; A83-L105 VanDerWaalsContact CB-CD2 3.46Å; A83-L109 HydrophobicContact CB-CD2 3.96Å
84E97.9Very high98Very high127 Ų12730.1 Ų30.159%0.59316%0.164SC*.THydrogen-bonded Turntrans-55127.1-179-171.7175.9-152.700111.2V80 Q81 A82 A86V80-E84 PolarHBondContact O-N 3.46Å; Q81-E84 WeakPolarHBondContact O-CB 3.24Å; Q81-E84 PolarHBondContact O-N 3.45Å; A82-E84 VanDerWaalsContact C-N 3.33Å; E84-A86 PolarHBondContact O-N 3.41Å
85D97.1Very high97.6Very high81 Ų8128.6 Ų28.643%0.43315%0.154SC..THydrogen-bonded Turntrans56.710.1-175.6-64.5-31.7000117.1K5 A83 D87 K110K5-D85 HydrophobicContact CD-CB 3.63Å; K5-D85 IonicContact NZ-OD2 2.87Å; K5-D85 PolarHBondContact NZ-OD2 3.48Å; A83-D85 PolarHBondContact O-N 3.05Å; D85-D87 PolarHBondContact O-N 2.83Å; D85-K110 HydrophobicContact CB-CD 4.38Å; D85-K110 WeakPolarHBondContact O-CD 3.48Å
86A98.7Very high97Very high2 Ų231.5 Ų31.52%0.01717%0.167CC..  trans-62.5129.5-178.500000111.6C7 A83 E84 L89C7-A86 HydrophobicContact CB-CB 3.71Å; A83-A86 VanDerWaalsContact O-CB 3.29Å; A83-A86 WeakPolarHBondContact O-CB 3.49Å; A83-A86 PolarHBondContact O-N 2.96Å; E84-A86 PolarHBondContact O-N 3.41Å; A86-L89 HydrophobicContact CB-CD1 4.13Å; A86-L89 HydrophobicContact CB-CG 4.17Å
87D98.7Very high96.6Very high11 Ų1136.2 Ų36.26%0.05919%0.187CC..SBendtrans-84.6-31.5169.6-68.4-86.8000111.6K4 K5 D85 K110 A113 T114K4-D87 WeakPolarHBondContact CA-OD2 3.15Å; K4-D87 HydrophobicContact CB-CB 4.15Å; K4-D87 HydrophobicContact CD-CB 3.61Å; K4-D87 VanDerWaalsContact CD-CG 3.44Å; K4-D87 HydrophobicContact CG-CB 4.49Å; K4-D87 IonicContact NZ-OD1 2.74Å; K4-D87 PolarHBondContact NZ-OD1 3.29Å; K5-D87 PolarHBondContact N-OD2 3.29Å; K5-D87 PolarHBondContact O-N 2.9Å; D85-D87 PolarHBondContact O-N 2.83Å; D87-K110 IonicContact OD1-NZ 2.75Å; D87-K110 PolarHBondContact OD1-NZ 3.38Å; D87-K110 IonicContact OD2-NZ 3.25Å; D87-K110 PolarHBondContact OD2-NZ 2.89Å; D87-K110 VanDerWaalsContact OD2-NZ 3.15Å; D87-A113 WeakPolarHBondContact O-CA 3.39Å; D87-T114 PolarHBondContact O-N 3.11Å; D87-T114 PolarHBondContact O-OG1 3.46Å
88I98.9Very high96.4Very high2 Ų233.4 Ų33.41%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-129.3123.7-178.8-56.6173.2000108.7K5 V6 C7 F32 I90 T114 L176 L177 L180K5-I88 PolarHBondContact O-N 3.18Å; K5-I88 VanDerWaalsContact O-N 3.16Å; V6-I88 WeakPolarHBondContact CA-O 3.47Å; V6-I88 HydrophobicContact CG2-CB 4.4Å; C7-I88 PolarHBondContact N-O 2.99Å; F32-I88 HydrophobicContact CE1-CD1 3.91Å; I88-I90 HydrophobicContact CG2-CG1 4.39Å; I88-T114 WeakPolarHBondContact CA-O 3.35Å; I88-L176 HydrophobicContact CD1-CD2 4.05Å; I88-L176 HydrophobicContact CD1-CG 4.42Å; I88-L177 HydrophobicContact CG2-CD2 3.92Å; I88-L180 HydrophobicContact CD1-CD2 4.04Å; I88-L180 HydrophobicContact CG2-CD2 4.19Å
89L98.9Very high96.2Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-108.7126.2173.2-66.693000110.5C7 V9 A83 A86 F91 L105 L109 A113 T114 G115 I116C7-L89 CarbonylContact O-C 3.48Å; C7-L89 WeakPolarHBondContact O-CA 3.46Å; V9-L89 HydrophobicContact CG2-CD2 4.25Å; A83-L89 HydrophobicContact CB-CD2 3.97Å; A86-L89 HydrophobicContact CB-CD1 4.13Å; A86-L89 HydrophobicContact CB-CG 4.17Å; L89-F91 HydrophobicContact CB-CD2 4.32Å; L89-F91 HydrophobicContact CB-CE2 3.59Å; L89-F91 HydrophobicContact CB-CZ 3.9Å; L89-F91 HydrophobicContact CD2-CZ 3.98Å; L89-L105 HydrophobicContact CD2-CD1 4.38Å; L89-L109 HydrophobicContact CD1-CD1 4.41Å; L89-L109 HydrophobicContact CD1-CD2 4.4Å; L89-L109 HydrophobicContact CD2-CD1 4.31Å; L89-L109 HydrophobicContact CD2-CD2 3.74Å; L89-A113 HydrophobicContact CD1-CB 3.86Å; L89-T114 PolarHBondContact N-O 2.88Å; L89-G115 CarbonylContact O-C 3.54Å; L89-G115 VanDerWaalsContact O-CA 3.27Å; L89-G115 WeakPolarHBondContact O-CA 2.87Å; L89-I116 PolarHBondContact O-N 3.02Å
90I99Very high96.1Very high0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-106106.3177.9-55-179.1000108.1V6 C7 I8 V9 V22 I88 I116 L118 L180V6-I90 HydrophobicContact CG1-CD1 3.94Å; V6-I90 HydrophobicContact CG1-CG1 4.32Å; C7-I90 PolarHBondContact O-N 3.31Å; I8-I90 CarbonylContact C-O 3.54Å; I8-I90 HydrophobicContact CG1-CB 4.26Å; I8-I90 HydrophobicContact CG1-CD1 4.22Å; V9-I90 PolarHBondContact N-O 3.29Å; V22-I90 HydrophobicContact CG1-CD1 4.15Å; V22-I90 HydrophobicContact CG2-CD1 3.68Å; I88-I90 HydrophobicContact CG2-CG1 4.39Å; I90-I116 HydrophobicContact CB-CG2 4.14Å; I90-I116 HydrophobicContact CG1-CG2 3.77Å; I90-I116 HydrophobicContact CG2-CG2 4.14Å; I90-L118 HydrophobicContact CG2-CD1 3.76Å; I90-L118 HydrophobicContact CG2-CD2 4.07Å; I90-L118 HydrophobicContact CG2-CG 4.5Å; I90-L180 HydrophobicContact CD1-CD2 4.26Å
91F98.9Very high96Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-89.4119.2-178.7-63.7-90.3000110.5V9 L89 I98 L105 I116 L118 I119 I136 L140 I142 M144V9-F91 HydrophobicContact CB-CD1 3.84Å; V9-F91 HydrophobicContact CB-CE1 4.17Å; V9-F91 HydrophobicContact CB-CG 4.49Å; V9-F91 HydrophobicContact CG1-CD1 4Å; V9-F91 HydrophobicContact CG1-CE1 4.24Å; V9-F91 HydrophobicContact CG2-CD1 4.17Å; V9-F91 HydrophobicContact CG2-CE1 4.03Å; L89-F91 HydrophobicContact CB-CD2 4.32Å; L89-F91 HydrophobicContact CB-CE2 3.59Å; L89-F91 HydrophobicContact CB-CZ 3.9Å; L89-F91 HydrophobicContact CD2-CZ 3.98Å; F91-I98 HydrophobicContact CD1-CD1 3.86Å; F91-L105 HydrophobicContact CE1-CD1 3.9Å; F91-L105 HydrophobicContact CZ-CD1 4.34Å; F91-I116 PolarHBondContact N-O 3.18Å; F91-L118 PolarHBondContact O-N 3.09Å; F91-I119 HydrophobicContact CB-CD1 4.11Å; F91-I136 HydrophobicContact CB-CD1 3.96Å; F91-I136 HydrophobicContact CD1-CD1 4.31Å; F91-I136 HydrophobicContact CD2-CD1 4.16Å; F91-I136 HydrophobicContact CD2-CG2 4.1Å; F91-I136 HydrophobicContact CE1-CG2 4.23Å; F91-I136 HydrophobicContact CE2-CG2 3.7Å; F91-I136 HydrophobicContact CG-CD1 3.89Å; F91-I136 HydrophobicContact CZ-CG2 3.77Å; F91-L140 HydrophobicContact CE1-CD1 4.08Å; F91-L140 HydrophobicContact CZ-CD1 3.61Å; F91-I142 HydrophobicContact CE2-CD1 4.28Å; F91-M144 HydrophobicContact CD2-CE 4.02Å; F91-M144 HydrophobicContact CE2-CE 4.36Å; F91-M144 HydrophobicContact CE2-SD 4.34Å
92V98.1Very high96Very high9 Ų931.3 Ų31.36%0.05516%0.157CC..  trans-146.862.7-173.158.90000110.8I8 V9 G10 W14 G15 I18 L118I8-V92 HydrophobicContact CG2-CG1 3.56Å; V9-V92 PolarHBondContact O-N 3.39Å; G10-V92 WeakPolarHBondContact O-CG1 3.38Å; W14-V92 HydrophobicContact CB-CG2 4.02Å; W14-V92 VanDerWaalsContact CD1-CG2 3.45Å; W14-V92 HydrophobicContact CG-CG2 3.92Å; G15-V92 VanDerWaalsContact CA-CG1 3.5Å; I18-V92 HydrophobicContact CG2-CG1 4.44Å; V92-L118 HydrophobicContact CB-CB 4.13Å; V92-L118 HydrophobicContact CG2-CB 4.14Å
93V95.1Very high96Very high15 Ų1535.7 Ų35.79%0.09118%0.18CC..SBendtrans-122.3159.3178.2-66.80000110.6V9 W39 H95 I98 I101 I119V9-V93 WeakPolarHBondContact O-CG1 3.43Å; W39-V93 HydrophobicContact CE3-CG1 4.46Å; W39-V93 HydrophobicContact CZ3-CG1 3.89Å; V93-H95 PolarHBondContact O-N 2.99Å; V93-I98 HydrophobicContact CG2-CD1 3.98Å; V93-I101 HydrophobicContact CB-CD1 4.27Å; V93-I101 HydrophobicContact CG1-CD1 3.9Å; V93-I101 HydrophobicContact CG2-CD1 3.94Å; V93-I119 HydrophobicContact CG2-CD1 3.66Å; V93-I119 HydrophobicContact CG2-CG1 4.49Å; V93-I119 WeakPolarHBondContact O-CG1 3.4Å; V93-I119 WeakPolarHBondContact O-CG2 3.44Å
94P90.2Very high96Very high50 Ų5039.9 Ų39.933%0.32520%0.199SC..  trans-53.8134.4163.3-22.733.3000110.4Q96 F97P94-Q96 HydrophobicContact CB-CG 4.49Å; P94-Q96 PolarHBondContact O-N 3.04Å; P94-F97 HydrophobicContact CB-CD2 3.74Å; P94-F97 HydrophobicContact CB-CE2 3.9Å; P94-F97 HydrophobicContact CG-CD2 3.91Å; P94-F97 HydrophobicContact CG-CE2 3.92Å; P94-F97 PolarHBondContact O-N 3.16Å; P94-F97 VanDerWaalsContact O-N 3.08Å
95H89.3Confident96Very high7 Ų733.9 Ų33.93%0.03217%0.171CC..G310 helixtrans-60.8-31.9-167.270.2-70.1000113.1V93 F97 I98 I119 V122 I132 Q298 E301 E305V93-H95 PolarHBondContact O-N 2.99Å; H95-F97 PolarHBondContact O-N 3.5Å; H95-I98 WeakPolarHBondContact O-CB 3.46Å; H95-I98 WeakPolarHBondContact O-CG2 3.33Å; H95-I98 PolarHBondContact O-N 3.07Å; H95-I98 VanDerWaalsContact O-N 3.08Å; H95-I119 HydrophobicContact CB-CG2 3.52Å; H95-V122 PolarHBondContact CD2-O 3.38Å; H95-I132 HydrophobicContact CB-CD1 3.87Å; H95-I132 HydrophobicContact CB-CG1 4.16Å; H95-Q298 PolarHBondContact ND1-OE1 2.97Å; H95-E301 IonicContact CE1-OE2 3.66Å; H95-E301 PolarHBondContact CE1-OE2 3.34Å; H95-E305 IonicContact CD2-OE1 3.93Å; H95-E305 IonicContact CE1-OE1 2.7Å; H95-E305 IonicContact NE2-OE1 2.74Å; H95-E305 PolarHBondContact NE2-OE1 2.83Å; H95-E305 IonicContact NE2-OE2 2.83Å
96Q86Confident96.1Very high66 Ų6636.5 Ų36.531%0.30818%0.178SC..G310 helixtrans-60.1-19177.462.1-94.974.800114.8P94 E301P94-Q96 HydrophobicContact CB-CG 4.49Å; P94-Q96 PolarHBondContact O-N 3.04Å; Q96-E301 PolarHBondContact NE2-OE2 3.42Å
97F91.6Very high95.9Very high106 Ų10640.2 Ų40.247%0.46522%0.217SC..G310 helixtrans-93.4-11.4-179.8-58.8-53.3000113.2P94 H95 G99 K100 I101P94-F97 HydrophobicContact CB-CD2 3.74Å; P94-F97 HydrophobicContact CB-CE2 3.9Å; P94-F97 HydrophobicContact CG-CD2 3.91Å; P94-F97 HydrophobicContact CG-CE2 3.92Å; P94-F97 PolarHBondContact O-N 3.16Å; P94-F97 VanDerWaalsContact O-N 3.08Å; H95-F97 PolarHBondContact O-N 3.5Å; F97-G99 PolarHBondContact O-N 3.49Å; F97-K100 PolarHBondContact O-N 3.46Å; F97-I101 HydrophobicContact CB-CD1 4.11Å; F97-I101 WeakPolarHBondContact O-CG1 3.2Å; F97-I101 PolarHBondContact O-N 3.34Å
98I94.5Very high95.9Very high2 Ų244.8 Ų44.81%0.0124%0.238CC..Hα-helixtrans-64.8-37.7-168-162.854.4000113F91 V93 H95 K100 I101 C102 I119 I132 V135 I136F91-I98 HydrophobicContact CD1-CD1 3.86Å; V93-I98 HydrophobicContact CG2-CD1 3.98Å; H95-I98 WeakPolarHBondContact O-CB 3.46Å; H95-I98 WeakPolarHBondContact O-CG2 3.33Å; H95-I98 PolarHBondContact O-N 3.07Å; H95-I98 VanDerWaalsContact O-N 3.08Å; I98-K100 PolarHBondContact O-N 3.05Å; I98-I101 PolarHBondContact O-N 3.43Å; I98-C102 WeakPolarHBondContact O-CB 3.46Å; I98-C102 PolarHBondContact O-N 3.44Å; I98-C102 PolarHBondContact O-SG 2.97Å; I98-I119 HydrophobicContact CB-CD1 4.47Å; I98-I119 HydrophobicContact CD1-CD1 3.83Å; I98-I119 HydrophobicContact CG1-CD1 4.12Å; I98-I132 HydrophobicContact CG1-CG2 4.26Å; I98-I132 HydrophobicContact CG2-CG2 4.34Å; I98-V135 HydrophobicContact CG2-CG1 4.4Å; I98-I136 HydrophobicContact CD1-CD1 3.82Å; I98-I136 HydrophobicContact CD1-CG1 3.82Å; I98-I136 HydrophobicContact CG1-CD1 3.83Å; I98-I136 HydrophobicContact CG1-CG1 3.52Å
99G93.8Very high95.9Very high16 Ų1646.3 Ų46.317%0.16525%0.246CC..Hα-helixtrans-58.5-50.4-179.800000112.2F97 I101 C102 D103 R139F97-G99 PolarHBondContact O-N 3.49Å; G99-I101 VanDerWaalsContact C-N 3.3Å; G99-I101 PolarHBondContact O-N 3.38Å; G99-C102 PolarHBondContact O-N 3.38Å; G99-D103 PolarHBondContact O-N 3.39Å; G99-R139 PolarHBondContact O-NH1 2.91Å
100K95.8Very high95.8Very high158 Ų15849.3 Ų49.369%0.68726%0.259SS*.Hα-helixtrans-64.9-32.6179.3-67.1-176.3-179.1179.20113F97 I98 Q104F97-K100 PolarHBondContact O-N 3.46Å; I98-K100 PolarHBondContact O-N 3.05Å; K100-Q104 PolarHBondContact O-N 3.46Å; K100-Q104 PolarHBondContact O-NE2 3.15Å
101I98.2Very high95.6Very high4 Ų454.8 Ų54.82%0.02130%0.304CS..Hα-helixtrans-71.5-44.5176.7-70.8163.1000110.1V9 W39 V79 V93 F97 I98 G99 D103 Q104 L105V9-I101 HydrophobicContact CG1-CG2 3.61Å; W39-I101 HydrophobicContact CE3-CD1 4.43Å; W39-I101 HydrophobicContact CH2-CD1 3.71Å; W39-I101 HydrophobicContact CH2-CG1 3.93Å; W39-I101 HydrophobicContact CZ3-CD1 3.47Å; W39-I101 VanDerWaalsContact CZ3-CD1 3.47Å; W39-I101 HydrophobicContact CZ3-CG1 4.05Å; V79-I101 HydrophobicContact CG2-CG2 4.14Å; V93-I101 HydrophobicContact CB-CD1 4.27Å; V93-I101 HydrophobicContact CG1-CD1 3.9Å; V93-I101 HydrophobicContact CG2-CD1 3.94Å; F97-I101 HydrophobicContact CB-CD1 4.11Å; F97-I101 WeakPolarHBondContact O-CG1 3.2Å; F97-I101 PolarHBondContact O-N 3.34Å; I98-I101 PolarHBondContact O-N 3.43Å; G99-I101 VanDerWaalsContact C-N 3.3Å; G99-I101 PolarHBondContact O-N 3.38Å; I101-D103 VanDerWaalsContact C-N 3.27Å; I101-D103 PolarHBondContact O-N 3.35Å; I101-Q104 PolarHBondContact O-N 2.86Å; I101-L105 HydrophobicContact CG2-CD1 4Å; I101-L105 PolarHBondContact O-N 3.5Å; I101-L105 VanDerWaalsContact O-N 3.08Å
102C98.5Very high95.4Very high0 Ų059.3 Ų59.30%033%0.328CS..Hα-helixtrans-60.9-38.6176.3-67.60000111.6I98 G99 Q104 L105 K106 R139 L140I98-C102 WeakPolarHBondContact O-CB 3.46Å; I98-C102 PolarHBondContact O-N 3.44Å; I98-C102 PolarHBondContact O-SG 2.97Å; G99-C102 PolarHBondContact O-N 3.38Å; C102-Q104 VanDerWaalsContact C-N 3.28Å; C102-Q104 PolarHBondContact O-N 2.94Å; C102-L105 PolarHBondContact O-N 3.22Å; C102-K106 WeakPolarHBondContact O-CB 3.39Å; C102-K106 PolarHBondContact O-N 3.25Å; C102-R139 HydrophobicContact CB-CB 3.87Å; C102-R139 HydrophobicContact CB-CG 4.4Å; C102-L140 HydrophobicContact CB-CD2 4.11Å; C102-L140 HydrophobicContact CB-CG 4.29Å; C102-L140 VanDerWaalsContact O-CD2 3.29Å; C102-L140 WeakPolarHBondContact O-CD2 3.38Å
103D98.2Very high95.4Very high92 Ų9258.9 Ų58.949%0.49233%0.326SS..Hα-helixtrans-63.3-33.8178.4-65.7-20.9000112.6G99 I101 R139G99-D103 PolarHBondContact O-N 3.39Å; I101-D103 VanDerWaalsContact C-N 3.27Å; I101-D103 PolarHBondContact O-N 3.35Å; D103-R139 VanDerWaalsContact CG-NH1 3.33Å; D103-R139 IonicContact OD1-CZ 3.5Å; D103-R139 IonicContact OD1-NH1 2.69Å; D103-R139 PolarHBondContact OD1-NH1 3.07Å; D103-R139 IonicContact OD2-NH1 3.39Å; D103-R139 PolarHBondContact OD2-NH1 3.29Å
104Q98.4Very high95.6Very high90 Ų9059.1 Ų59.142%0.42133%0.327SS..Hα-helixtrans-72.9-41.3174.3-71.8167.372.400112.1V79 V80 K100 I101 C102 K106 H108V79-Q104 HydrophobicContact CG1-CB 3.67Å; V79-Q104 HydrophobicContact CG1-CG 4.4Å; V80-Q104 HydrophobicContact CG2-CB 4.47Å; V80-Q104 VanDerWaalsContact CG2-O 3.31Å; V80-Q104 WeakPolarHBondContact CG2-O 3.25Å; K100-Q104 PolarHBondContact O-N 3.46Å; K100-Q104 PolarHBondContact O-NE2 3.15Å; I101-Q104 PolarHBondContact O-N 2.86Å; C102-Q104 VanDerWaalsContact C-N 3.28Å; C102-Q104 PolarHBondContact O-N 2.94Å; Q104-K106 VanDerWaalsContact C-N 3.33Å; Q104-K106 PolarHBondContact O-N 3.35Å; Q104-H108 PolarHBondContact O-ND1 2.85Å
105L98.7Very high96Very high0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-75-20.8-178.3-71.1176.5000113.7V9 V79 A83 L89 F91 I101 C102 G107 H108 L109 L140V9-L105 HydrophobicContact CG2-CD1 4.42Å; V79-L105 HydrophobicContact CG1-CD2 4.33Å; V79-L105 HydrophobicContact CG1-CG 4.46Å; V79-L105 HydrophobicContact CG2-CD1 4.28Å; V79-L105 HydrophobicContact CG2-CD2 4.02Å; V79-L105 HydrophobicContact CG2-CG 4.17Å; V79-L105 WeakPolarHBondContact O-CD2 3.37Å; A83-L105 HydrophobicContact CB-CD2 3.46Å; A83-L105 VanDerWaalsContact CB-CD2 3.46Å; L89-L105 HydrophobicContact CD2-CD1 4.38Å; F91-L105 HydrophobicContact CE1-CD1 3.9Å; F91-L105 HydrophobicContact CZ-CD1 4.34Å; I101-L105 HydrophobicContact CG2-CD1 4Å; I101-L105 PolarHBondContact O-N 3.5Å; I101-L105 VanDerWaalsContact O-N 3.08Å; C102-L105 PolarHBondContact O-N 3.22Å; L105-G107 PolarHBondContact O-N 2.55Å; L105-H108 PolarHBondContact O-N 3.12Å; L105-L109 HydrophobicContact CB-CD2 4.37Å; L105-L109 HydrophobicContact CD2-CD2 4.18Å; L105-L140 HydrophobicContact CB-CD1 4.45Å; L105-L140 HydrophobicContact CB-CD2 3.76Å; L105-L140 HydrophobicContact CD1-CD1 4.35Å
106K97.6Very high96.5Very high136 Ų13656.4 Ų56.459%0.59131%0.31SS*.THydrogen-bonded Turntrans-55.9123-177-172.4175.9-176.3176.70111.3C102 Q104 H108 L140C102-K106 WeakPolarHBondContact O-CB 3.39Å; C102-K106 PolarHBondContact O-N 3.25Å; Q104-K106 VanDerWaalsContact C-N 3.33Å; Q104-K106 PolarHBondContact O-N 3.35Å; K106-H108 VanDerWaalsContact C-N 3.32Å; K106-H108 PolarHBondContact O-ND1 2.96Å; K106-L140 HydrophobicContact CB-CD2 4.48Å
107G96.3Very high97.1Very high80 Ų8053.3 Ų53.383%0.82530%0.296SS*.THydrogen-bonded Turntrans83.5-1.3-179.700000115.4L105L105-G107 PolarHBondContact O-N 2.55Å
108H97.8Very high97.4Very high108 Ų10848.4 Ų48.450%0.528%0.275SS..  trans-108.4-1.3-178.6-59102.4000114.1V80 Q104 L105 K106V80-H108 HydrophobicContact CG1-CB 3.75Å; Q104-H108 PolarHBondContact O-ND1 2.85Å; L105-H108 PolarHBondContact O-N 3.12Å; K106-H108 VanDerWaalsContact C-N 3.32Å; K106-H108 PolarHBondContact O-ND1 2.96Å
109L98.3Very high97.5Very high33 Ų3348.5 Ų48.517%0.17328%0.275CS..SBendtrans-90.5153.9-178.6-55-172.4000112.1A83 L89 L105 A113 L140 I142A83-L109 HydrophobicContact CB-CD2 3.96Å; L89-L109 HydrophobicContact CD1-CD1 4.41Å; L89-L109 HydrophobicContact CD1-CD2 4.4Å; L89-L109 HydrophobicContact CD2-CD1 4.31Å; L89-L109 HydrophobicContact CD2-CD2 3.74Å; L105-L109 HydrophobicContact CB-CD2 4.37Å; L105-L109 HydrophobicContact CD2-CD2 4.18Å; L109-A113 HydrophobicContact CB-CB 4.4Å; L109-L140 HydrophobicContact CD1-CB 4.02Å; L109-L140 HydrophobicContact CD1-CD1 4Å; L109-L140 HydrophobicContact CD1-CD2 4.43Å; L109-L140 HydrophobicContact CD1-CG 4.37Å; L109-I142 HydrophobicContact CD1-CD1 4.11Å; L109-I142 HydrophobicContact CD1-CG2 4.08Å
110K96.9Very high97.5Very high64 Ų6449.2 Ų49.228%0.27827%0.273SS..  trans-59.8142.2168.4-72.4173.464.7179.90110.3D85 D87 N112 A113D85-K110 HydrophobicContact CB-CD 4.38Å; D85-K110 WeakPolarHBondContact O-CD 3.48Å; D87-K110 IonicContact OD1-NZ 2.75Å; D87-K110 PolarHBondContact OD1-NZ 3.38Å; D87-K110 IonicContact OD2-NZ 3.25Å; D87-K110 PolarHBondContact OD2-NZ 2.89Å; D87-K110 VanDerWaalsContact OD2-NZ 3.15Å; K110-N112 WeakPolarHBondContact CE-OD1 3.5Å; K110-N112 PolarHBondContact O-N 3.23Å; K110-A113 HydrophobicContact CB-CB 4.27Å; K110-A113 VanDerWaalsContact O-CB 3.29Å; K110-A113 WeakPolarHBondContact O-CB 3.27Å; K110-A113 PolarHBondContact O-N 3.4Å
111A94.6Very high97.3Very high115 Ų11541.7 Ų41.795%0.9524%0.241SC*.THydrogen-bonded Turntrans-58.2-23.8178.600000114
112N95.6Very high97.1Very high94 Ų9441.5 Ų41.550%0.50324%0.24SC..THydrogen-bonded Turntrans-110.717.3178.670.9-33.6000113.4K110K110-N112 WeakPolarHBondContact CE-OD1 3.5Å; K110-N112 PolarHBondContact O-N 3.23Å
113A98.4Very high96.7Very high1 Ų144.2 Ų44.21%0.00826%0.255CS..  trans-63.8147.9174.400000110.8D87 L89 L109 K110 I142D87-A113 WeakPolarHBondContact O-CA 3.39Å; L89-A113 HydrophobicContact CD1-CB 3.86Å; L109-A113 HydrophobicContact CB-CB 4.4Å; K110-A113 HydrophobicContact CB-CB 4.27Å; K110-A113 VanDerWaalsContact O-CB 3.29Å; K110-A113 WeakPolarHBondContact O-CB 3.27Å; K110-A113 PolarHBondContact O-N 3.4Å; A113-I142 HydrophobicContact CB-CG2 4.18Å; A113-I142 WeakPolarHBondContact O-CB 3.4Å
114T98.7Very high96.1Very high20 Ų2042.8 Ų42.812%0.12325%0.245CC..EExtended strand (participates in β ladder)trans-122.7152.3172.856.90000109.5D87 I88 L89 P143 Q173D87-T114 PolarHBondContact O-N 3.11Å; D87-T114 PolarHBondContact O-OG1 3.46Å; I88-T114 WeakPolarHBondContact CA-O 3.35Å; L89-T114 PolarHBondContact N-O 2.88Å; T114-P143 HydrophobicContact CG2-CG 4.44Å; T114-Q173 PolarHBondContact OG1-NE2 2.86Å
115G98.8Very high95.4Very high0 Ų039.2 Ų39.20%023%0.232CC..EExtended strand (participates in β ladder)trans-122.3152.3178.300000112.9L89 P143 M144 S145L89-G115 CarbonylContact O-C 3.54Å; L89-G115 VanDerWaalsContact O-CA 3.27Å; L89-G115 WeakPolarHBondContact O-CA 2.87Å; G115-P143 PolarHBondContact N-O 3.45Å; G115-M144 VanDerWaalsContact CA-SD 3.5Å; G115-M144 CarbonylContact O-C 3.2Å; G115-M144 WeakPolarHBondContact O-CA 2.89Å; G115-S145 PolarHBondContact O-N 3.07Å
116I98.9Very high94.4Very high0 Ų045.6 Ų45.60%027%0.274CS..EExtended strand (participates in β ladder)trans-130.3128.9165.9-171.2179.1000109.8L89 I90 F91 L118 S145 L147 I166 L177 M181L89-I116 PolarHBondContact O-N 3.02Å; I90-I116 HydrophobicContact CB-CG2 4.14Å; I90-I116 HydrophobicContact CG1-CG2 3.77Å; I90-I116 HydrophobicContact CG2-CG2 4.14Å; F91-I116 PolarHBondContact N-O 3.18Å; I116-L118 HydrophobicContact CD1-CD1 4.14Å; I116-L118 HydrophobicContact CG1-CD1 3.98Å; I116-L118 HydrophobicContact CG2-CD1 4.08Å; I116-S145 CarbonylContact C-O 3.56Å; I116-S145 VanDerWaalsContact CA-O 3.28Å; I116-S145 WeakPolarHBondContact CA-O 3.33Å; I116-L147 HydrophobicContact CD1-CB 3.78Å; I116-L147 HydrophobicContact CG1-CB 4.44Å; I116-I166 HydrophobicContact CD1-CD1 4.35Å; I116-I166 HydrophobicContact CD1-CG1 4.36Å; I116-L177 HydrophobicContact CB-CD1 4.41Å; I116-L177 HydrophobicContact CB-CD2 4.34Å; I116-L177 HydrophobicContact CD1-CD1 4.17Å; I116-L177 HydrophobicContact CG2-CD2 4.18Å; I116-M181 HydrophobicContact CD1-CE 3.55Å; I116-M181 HydrophobicContact CD1-SD 4.45Å
117S98.9Very high93.4Very high0 Ų046 Ų460%028%0.282CS..EExtended strand (participates in β ladder)trans-94.9126.1175.3-177.70000110.9I119 S145 V146 L147S117-I119 WeakPolarHBondContact OG-CB 3.26Å; S117-I119 PolarHBondContact OG-N 3.03Å; S117-S145 PolarHBondContact N-O 3.48Å; S117-V146 CarbonylContact O-C 3.55Å; S117-V146 VanDerWaalsContact O-CA 3.27Å; S117-V146 WeakPolarHBondContact O-CA 3.38Å; S117-L147 PolarHBondContact O-N 3.31Å
118L98.5Very high92.9Very high4 Ų442.4 Ų42.42%0.02125%0.245CC..  trans-104.313.8169.6-80.964.1000110.6W14 I18 I90 F91 V92 I116 L147W14-L118 HydrophobicContact CZ2-CD2 4.13Å; I18-L118 HydrophobicContact CB-CD2 4.17Å; I18-L118 HydrophobicContact CD1-CD2 4.4Å; I18-L118 HydrophobicContact CG1-CD2 3.82Å; I18-L118 HydrophobicContact CG2-CD2 4.13Å; I90-L118 HydrophobicContact CG2-CD1 3.76Å; I90-L118 HydrophobicContact CG2-CD2 4.07Å; I90-L118 HydrophobicContact CG2-CG 4.5Å; F91-L118 PolarHBondContact O-N 3.09Å; V92-L118 HydrophobicContact CB-CB 4.13Å; V92-L118 HydrophobicContact CG2-CB 4.14Å; I116-L118 HydrophobicContact CD1-CD1 4.14Å; I116-L118 HydrophobicContact CG1-CD1 3.98Å; I116-L118 HydrophobicContact CG2-CD1 4.08Å; L118-L147 HydrophobicContact CD1-CB 3.84Å; L118-L147 HydrophobicContact CD2-CD2 4.36Å; L118-L147 HydrophobicContact CG-CB 3.96Å; L118-L147 HydrophobicContact CG-CD2 4.1Å; L118-L147 HydrophobicContact CG-CG 4.46Å
119I96.4Very high92.7Very high3 Ų338.6 Ų38.62%0.01523%0.228CC..  trans-83.9128.7-174.2-55.4179000109.5F91 V93 H95 I98 S117 I132 I136 M148F91-I119 HydrophobicContact CB-CD1 4.11Å; V93-I119 HydrophobicContact CG2-CD1 3.66Å; V93-I119 HydrophobicContact CG2-CG1 4.49Å; V93-I119 WeakPolarHBondContact O-CG1 3.4Å; V93-I119 WeakPolarHBondContact O-CG2 3.44Å; H95-I119 HydrophobicContact CB-CG2 3.52Å; I98-I119 HydrophobicContact CB-CD1 4.47Å; I98-I119 HydrophobicContact CD1-CD1 3.83Å; I98-I119 HydrophobicContact CG1-CD1 4.12Å; S117-I119 WeakPolarHBondContact OG-CB 3.26Å; S117-I119 PolarHBondContact OG-N 3.03Å; I119-I132 HydrophobicContact CB-CG2 4.02Å; I119-I132 HydrophobicContact CD1-CG2 3.8Å; I119-I132 HydrophobicContact CG1-CG2 4.45Å; I119-I132 HydrophobicContact CG2-CG1 4.29Å; I119-I132 HydrophobicContact CG2-CG2 4.04Å; I119-I136 HydrophobicContact CD1-CD1 4.34Å; I119-M148 WeakPolarHBondContact O-CE 3.47Å
120K93.2Very high92.5Very high31 Ų3139.1 Ų39.114%0.13523%0.23CC..  trans-108.477.6-173.2-66.7-176.5178.8-164.20111.1M148 G149 G201 N205 D260K120-M148 HydrophobicContact CD-SD 4.49Å; K120-M148 HydrophobicContact CG-SD 3.67Å; K120-G149 PolarHBondContact NZ-O 3.37Å; K120-G201 WeakPolarHBondContact CB-O 3.45Å; K120-N205 PolarHBondContact O-ND2 2.79Å; K120-D260 IonicContact NZ-OD1 2.84Å; K120-D260 IonicContact NZ-OD2 3.62Å; K120-D260 PolarHBondContact NZ-OD2 3.46Å
121G92.2Very high92.4Very high1 Ų136.3 Ų36.31%0.0122%0.217CC..  trans-169.3-178.1-179.300000111.1I132 A202G121-I132 WeakPolarHBondContact O-CG1 3.31Å; G121-A202 WeakPolarHBondContact O-CB 3.42Å
122V93.5Very high92.5Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-128.7169.9172.4-62.10000108.6H95 L129 A202 T302 E305H95-V122 PolarHBondContact CD2-O 3.38Å; V122-L129 HydrophobicContact CB-CD1 3.64Å; V122-L129 HydrophobicContact CG1-CD1 3.7Å; V122-L129 HydrophobicContact CG2-CD1 4.08Å; V122-A202 HydrophobicContact CG1-CB 3.74Å; V122-T302 HydrophobicContact CG2-CG2 4.23Å; V122-E305 HydrophobicContact CG2-CB 4.02Å; V122-E305 WeakPolarHBondContact CG2-OE2 3.45Å
123D91.2Very high92.6Very high57 Ų5726.7 Ų26.731%0.30515%0.15SC..EExtended strand (participates in β ladder)trans-124.3164.8169.5-160.41.4000109.3K130 I132 V135D123-K130 HydrophobicContact CB-CB 4.18Å; D123-K130 PolarHBondContact N-O 3.04Å; D123-K130 PolarHBondContact O-N 2.77Å; D123-I132 HydrophobicContact CB-CD1 3.92Å; D123-V135 HydrophobicContact CB-CG2 4.28Å
124E86.2Confident92.5Very high62 Ų6229.3 Ų29.329%0.2916%0.162SC..EExtended strand (participates in β ladder)trans-108.6115.4174.8-174.8179-169.800109.8S308 I309 H312E124-S308 WeakPolarHBondContact OE1-CB 3.37Å; E124-S308 PolarHBondContact OE1-OG 3.16Å; E124-S308 WeakPolarHBondContact OE2-CB 3.4Å; E124-S308 PolarHBondContact OE2-OG 2.86Å; E124-I309 HydrophobicContact CG-CG1 4.44Å; E124-H312 IonicContact OE1-CD2 3.92Å; E124-H312 IonicContact OE1-NE2 2.83Å
125G81.9Confident92.4Very high15 Ų1528.8 Ų28.816%0.15516%0.16CC..EExtended strand (participates in β ladder)trans-98.7172.517200000112.6N127 G128G125-N127 PolarHBondContact O-N 3.09Å; G125-G128 PolarHBondContact N-O 2.87Å; G125-G128 PolarHBondContact O-N 2.8Å
126P78.3Confident92.4Very high133 Ų13328.8 Ų28.886%0.86416%0.16SC*.THydrogen-bonded Turntrans-58.8-18.4178.722.4-33000114.3
127N77.5Confident92.3Very high144 Ų14429.6 Ų29.677%0.7717%0.167SC*.THydrogen-bonded Turntrans-106.79.5179.5-64.1-35.2000113.7G125G125-N127 PolarHBondContact O-N 3.09Å
128G85.8Confident92.2Very high5 Ų535.8 Ų35.85%0.05220%0.196CC..EExtended strand (participates in β ladder)trans107.1-135.1-176.100000112.4G125 K130G125-G128 PolarHBondContact N-O 2.87Å; G125-G128 PolarHBondContact O-N 2.8Å; G128-K130 PolarHBondContact O-N 3.1Å
129L92.8Very high92.1Very high28 Ų2840.2 Ų40.215%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-55.4132.9-176.1-179.669.8000111.9V122 L131 I199 F238 F242 I309V122-L129 HydrophobicContact CB-CD1 3.64Å; V122-L129 HydrophobicContact CG1-CD1 3.7Å; V122-L129 HydrophobicContact CG2-CD1 4.08Å; L129-L131 HydrophobicContact CD2-CD2 4.2Å; L129-I199 HydrophobicContact CD2-CD1 4.17Å; L129-F238 HydrophobicContact CD1-CE1 4.37Å; L129-F238 HydrophobicContact CD1-CZ 4.3Å; L129-F238 HydrophobicContact CD2-CE1 3.78Å; L129-F238 HydrophobicContact CD2-CZ 4.18Å; L129-F242 HydrophobicContact CB-CD1 4.18Å; L129-F242 HydrophobicContact CD2-CB 3.56Å; L129-F242 HydrophobicContact CD2-CD1 4.45Å; L129-F242 HydrophobicContact CD2-CG 4.21Å; L129-I309 HydrophobicContact CB-CD1 3.99Å; L129-I309 HydrophobicContact CB-CG2 4.2Å; L129-I309 HydrophobicContact CD1-CD1 3.7Å; L129-I309 HydrophobicContact CG-CD1 4.48Å
130K94Very high92.2Very high45 Ų4541.2 Ų41.220%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-123.1130.5163.2-83.6-73.9-178.1171.50109.5D123 G128 V135 E138D123-K130 HydrophobicContact CB-CB 4.18Å; D123-K130 PolarHBondContact N-O 3.04Å; D123-K130 PolarHBondContact O-N 2.77Å; G128-K130 PolarHBondContact O-N 3.1Å; K130-V135 HydrophobicContact CB-CG2 4.08Å; K130-E138 IonicContact NZ-OE1 3.27Å; K130-E138 PolarHBondContact NZ-OE1 3.36Å; K130-E138 IonicContact NZ-OE2 2.73Å; K130-E138 PolarHBondContact NZ-OE2 3.27Å
131L96Very high92.4Very high4 Ų443 Ų432%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-78.6148.4171.8-61.9-179.6000110L129 S133 E134 V135 D195 E198 I199L129-L131 HydrophobicContact CD2-CD2 4.2Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.24Å; L131-E134 HydrophobicContact CB-CB 4.25Å; L131-E134 HydrophobicContact CB-CG 3.92Å; L131-E134 PolarHBondContact N-OE2 3.01Å; L131-E134 WeakPolarHBondContact O-CB 3.34Å; L131-E134 PolarHBondContact O-N 3.17Å; L131-E134 VanDerWaalsContact O-N 3.16Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.24Å; L131-D195 HydrophobicContact CD1-CB 3.79Å; L131-E198 WeakPolarHBondContact CB-OE2 3.16Å; L131-E198 HydrophobicContact CD2-CG 4.42Å; L131-I199 HydrophobicContact CD2-CD1 4.31Å; L131-I199 HydrophobicContact CD2-CG1 3.71Å
132I96.6Very high92.7Very high0 Ų043.6 Ų43.60%025%0.248CC..Hα-helixtrans-66.9-37.1-178.8-58.1-56.3000110.5H95 I98 I119 G121 D123 E134 V135 I136 E198H95-I132 HydrophobicContact CB-CD1 3.87Å; H95-I132 HydrophobicContact CB-CG1 4.16Å; I98-I132 HydrophobicContact CG1-CG2 4.26Å; I98-I132 HydrophobicContact CG2-CG2 4.34Å; I119-I132 HydrophobicContact CB-CG2 4.02Å; I119-I132 HydrophobicContact CD1-CG2 3.8Å; I119-I132 HydrophobicContact CG1-CG2 4.45Å; I119-I132 HydrophobicContact CG2-CG1 4.29Å; I119-I132 HydrophobicContact CG2-CG2 4.04Å; G121-I132 WeakPolarHBondContact O-CG1 3.31Å; D123-I132 HydrophobicContact CB-CD1 3.92Å; I132-E134 VanDerWaalsContact C-N 3.3Å; I132-E134 PolarHBondContact O-N 2.96Å; I132-V135 PolarHBondContact O-N 3.45Å; I132-I136 HydrophobicContact CG2-CD1 3.92Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.2Å; I132-I136 PolarHBondContact O-N 3.06Å; I132-E198 WeakPolarHBondContact CA-OE1 3.38Å; I132-E198 WeakPolarHBondContact CB-OE1 3.45Å; I132-E198 PolarHBondContact N-OE1 2.88Å
133S98Very high92.9Very high7 Ų747.9 Ų47.95%0.04928%0.276CS..Hα-helixtrans-61.4-37.7173.373.50000112.3L131 G137 M144 E198L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.24Å; S133-G137 PolarHBondContact O-N 3.14Å; S133-M144 WeakPolarHBondContact O-CG 3.25Å; S133-E198 WeakPolarHBondContact CB-OE2 3.48Å; S133-E198 PolarHBondContact N-OE1 3.34Å; S133-E198 PolarHBondContact OG-OE2 3.13Å
134E96Very high93.2Very high56 Ų5646.6 Ų46.626%0.26227%0.268SS..Hα-helixtrans-66.1-45.6173.8-68.6174.9159.700111.1L131 I132 I136 G137 E138L131-E134 HydrophobicContact CB-CB 4.25Å; L131-E134 HydrophobicContact CB-CG 3.92Å; L131-E134 PolarHBondContact N-OE2 3.01Å; L131-E134 WeakPolarHBondContact O-CB 3.34Å; L131-E134 PolarHBondContact O-N 3.17Å; L131-E134 VanDerWaalsContact O-N 3.16Å; I132-E134 VanDerWaalsContact C-N 3.3Å; I132-E134 PolarHBondContact O-N 2.96Å; E134-I136 VanDerWaalsContact C-N 3.31Å; E134-I136 PolarHBondContact O-N 3.31Å; E134-G137 PolarHBondContact O-N 2.87Å; E134-E138 VanDerWaalsContact O-CB 3.29Å; E134-E138 WeakPolarHBondContact O-CB 3.5Å; E134-E138 VanDerWaalsContact O-CG 3.28Å; E134-E138 WeakPolarHBondContact O-CG 3.17Å; E134-E138 PolarHBondContact O-N 3.34Å
135V95.7Very high93.8Very high10 Ų1043.9 Ų43.96%0.06126%0.256CS..Hα-helixtrans-57.5-45.2177.4172.70000111I98 D123 K130 L131 I132 R139I98-V135 HydrophobicContact CG2-CG1 4.4Å; D123-V135 HydrophobicContact CB-CG2 4.28Å; K130-V135 HydrophobicContact CB-CG2 4.08Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.24Å; I132-V135 PolarHBondContact O-N 3.45Å; V135-R139 VanDerWaalsContact O-CB 3.31Å; V135-R139 WeakPolarHBondContact O-CB 3.46Å; V135-R139 VanDerWaalsContact O-CG 3.25Å; V135-R139 WeakPolarHBondContact O-CG 3.41Å; V135-R139 PolarHBondContact O-N 2.9Å; V135-R139 VanDerWaalsContact O-N 3.11Å
136I98.4Very high94.7Very high0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-65.8-49.8178-63.4164.3000110.3F91 I98 I119 I132 E134 E138 R139 L140 M144F91-I136 HydrophobicContact CB-CD1 3.96Å; F91-I136 HydrophobicContact CD1-CD1 4.31Å; F91-I136 HydrophobicContact CD2-CD1 4.16Å; F91-I136 HydrophobicContact CD2-CG2 4.1Å; F91-I136 HydrophobicContact CE1-CG2 4.23Å; F91-I136 HydrophobicContact CE2-CG2 3.7Å; F91-I136 HydrophobicContact CG-CD1 3.89Å; F91-I136 HydrophobicContact CZ-CG2 3.77Å; I98-I136 HydrophobicContact CD1-CD1 3.82Å; I98-I136 HydrophobicContact CD1-CG1 3.82Å; I98-I136 HydrophobicContact CG1-CD1 3.83Å; I98-I136 HydrophobicContact CG1-CG1 3.52Å; I119-I136 HydrophobicContact CD1-CD1 4.34Å; I132-I136 HydrophobicContact CG2-CD1 3.92Å; I132-I136 HydrophobicContact CG2-CG1 4.41Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.2Å; I132-I136 PolarHBondContact O-N 3.06Å; E134-I136 VanDerWaalsContact C-N 3.31Å; E134-I136 PolarHBondContact O-N 3.31Å; I136-E138 PolarHBondContact O-N 3.07Å; I136-R139 PolarHBondContact O-N 3.39Å; I136-L140 HydrophobicContact CG2-CD1 3.73Å; I136-L140 HydrophobicContact CG2-CG 4.42Å; I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 3.25Å; I136-M144 HydrophobicContact CB-CE 3.97Å; I136-M144 HydrophobicContact CB-CG 4.42Å; I136-M144 HydrophobicContact CB-SD 4.13Å; I136-M144 HydrophobicContact CD1-CE 3.87Å; I136-M144 HydrophobicContact CG2-CE 3.74Å; I136-M144 HydrophobicContact CG2-CG 4.33Å; I136-M144 HydrophobicContact CG2-SD 3.53Å; I136-M144 VanDerWaalsContact CG2-SD 3.53Å
137G97.8Very high95.6Very high16 Ų1636.9 Ų36.917%0.16521%0.208CC..Hα-helixtrans-61.1-44.1-177.700000112.8S133 E134 G141 I142S133-G137 PolarHBondContact O-N 3.14Å; E134-G137 PolarHBondContact O-N 2.87Å; G137-G141 VanDerWaalsContact O-CA 3.28Å; G137-G141 WeakPolarHBondContact O-CA 3.29Å; G137-G141 PolarHBondContact O-N 3.35Å; G137-I142 WeakPolarHBondContact CA-O 3.45Å
138E96Very high96.6Very high130 Ų13030 Ų3061%0.60717%0.171SC*.Hα-helixtrans-66.5-41.7177.5-72.4176.8172.400112.1K130 E134 I136K130-E138 IonicContact NZ-OE1 3.27Å; K130-E138 PolarHBondContact NZ-OE1 3.36Å; K130-E138 IonicContact NZ-OE2 2.73Å; K130-E138 PolarHBondContact NZ-OE2 3.27Å; E134-E138 VanDerWaalsContact O-CB 3.29Å; E134-E138 WeakPolarHBondContact O-CB 3.5Å; E134-E138 VanDerWaalsContact O-CG 3.28Å; E134-E138 WeakPolarHBondContact O-CG 3.17Å; E134-E138 PolarHBondContact O-N 3.34Å; I136-E138 PolarHBondContact O-N 3.07Å
139R96.9Very high97.2Very high98 Ų9829.8 Ų29.837%0.3717%0.169SC..Hα-helixtrans-73.9-36.7-178.1-74-176.3179.6-123.54.4113.2G99 C102 D103 V135 I136G99-R139 PolarHBondContact O-NH1 2.91Å; C102-R139 HydrophobicContact CB-CB 3.87Å; C102-R139 HydrophobicContact CB-CG 4.4Å; D103-R139 VanDerWaalsContact CG-NH1 3.33Å; D103-R139 IonicContact OD1-CZ 3.5Å; D103-R139 IonicContact OD1-NH1 2.69Å; D103-R139 PolarHBondContact OD1-NH1 3.07Å; D103-R139 IonicContact OD2-NH1 3.39Å; D103-R139 PolarHBondContact OD2-NH1 3.29Å; V135-R139 VanDerWaalsContact O-CB 3.31Å; V135-R139 WeakPolarHBondContact O-CB 3.46Å; V135-R139 VanDerWaalsContact O-CG 3.25Å; V135-R139 WeakPolarHBondContact O-CG 3.41Å; V135-R139 PolarHBondContact O-N 2.9Å; V135-R139 VanDerWaalsContact O-N 3.11Å; I136-R139 PolarHBondContact O-N 3.39Å
140L98.3Very high97.3Very high23 Ų2329.1 Ų29.112%0.1217%0.167CC..Hα-helixtrans-100.8-15.4-173.4-59.7-177.7000113.7F91 C102 L105 K106 L109 I136 I142F91-L140 HydrophobicContact CE1-CD1 4.08Å; F91-L140 HydrophobicContact CZ-CD1 3.61Å; C102-L140 HydrophobicContact CB-CD2 4.11Å; C102-L140 HydrophobicContact CB-CG 4.29Å; C102-L140 VanDerWaalsContact O-CD2 3.29Å; C102-L140 WeakPolarHBondContact O-CD2 3.38Å; L105-L140 HydrophobicContact CB-CD1 4.45Å; L105-L140 HydrophobicContact CB-CD2 3.76Å; L105-L140 HydrophobicContact CD1-CD1 4.35Å; K106-L140 HydrophobicContact CB-CD2 4.48Å; L109-L140 HydrophobicContact CD1-CB 4.02Å; L109-L140 HydrophobicContact CD1-CD1 4Å; L109-L140 HydrophobicContact CD1-CD2 4.43Å; L109-L140 HydrophobicContact CD1-CG 4.37Å; I136-L140 HydrophobicContact CG2-CD1 3.73Å; I136-L140 HydrophobicContact CG2-CG 4.42Å; I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 3.25Å; L140-I142 HydrophobicContact CB-CD1 4.34Å; L140-I142 HydrophobicContact CB-CG1 4.11Å; L140-I142 HydrophobicContact CD1-CD1 4.37Å
141G97.5Very high97.4Very high68 Ų6827.5 Ų27.570%0.70116%0.161SC*.THydrogen-bonded Turntrans70.729.4-179.900000113.9G137G137-G141 VanDerWaalsContact O-CA 3.28Å; G137-G141 WeakPolarHBondContact O-CA 3.29Å; G137-G141 PolarHBondContact O-N 3.35Å
142I98.1Very high97.2Very high14 Ų1429.2 Ų29.27%0.07217%0.17CC..  trans-117.8149.1-177.665177.3000112F91 L109 A113 G137 L140 M144F91-I142 HydrophobicContact CE2-CD1 4.28Å; L109-I142 HydrophobicContact CD1-CD1 4.11Å; L109-I142 HydrophobicContact CD1-CG2 4.08Å; A113-I142 HydrophobicContact CB-CG2 4.18Å; A113-I142 WeakPolarHBondContact O-CB 3.4Å; G137-I142 WeakPolarHBondContact CA-O 3.45Å; L140-I142 HydrophobicContact CB-CD1 4.34Å; L140-I142 HydrophobicContact CB-CG1 4.11Å; L140-I142 HydrophobicContact CD1-CD1 4.37Å; I142-M144 HydrophobicContact CD1-SD 4.06Å; I142-M144 HydrophobicContact CG1-SD 4.03Å
143P98.2Very high97.1Very high91 Ų9129.8 Ų29.859%0.59117%0.174SC*.  trans-62.8135.5170.5-19.832.5000111.1T114 G115T114-P143 HydrophobicContact CG2-CG 4.44Å; G115-P143 PolarHBondContact N-O 3.45Å
144M98.6Very high96.9Very high30 Ų3031.7 Ų31.715%0.14819%0.188CC..EExtended strand (participates in β ladder)trans-116.3137.1-178.4-69.9-62.7-59.900112.3F91 G115 S133 I136 I142F91-M144 HydrophobicContact CD2-CE 4.02Å; F91-M144 HydrophobicContact CE2-CE 4.36Å; F91-M144 HydrophobicContact CE2-SD 4.34Å; G115-M144 VanDerWaalsContact CA-SD 3.5Å; G115-M144 CarbonylContact O-C 3.2Å; G115-M144 WeakPolarHBondContact O-CA 2.89Å; S133-M144 WeakPolarHBondContact O-CG 3.25Å; I136-M144 HydrophobicContact CB-CE 3.97Å; I136-M144 HydrophobicContact CB-CG 4.42Å; I136-M144 HydrophobicContact CB-SD 4.13Å; I136-M144 HydrophobicContact CD1-CE 3.87Å; I136-M144 HydrophobicContact CG2-CE 3.74Å; I136-M144 HydrophobicContact CG2-CG 4.33Å; I136-M144 HydrophobicContact CG2-SD 3.53Å; I136-M144 VanDerWaalsContact CG2-SD 3.53Å; I142-M144 HydrophobicContact CD1-SD 4.06Å; I142-M144 HydrophobicContact CG1-SD 4.03Å
145S98.8Very high96.9Very high5 Ų532.8 Ų32.84%0.03519%0.193CC..EExtended strand (participates in β ladder)trans-113.8171.9165.5-53.40000109.4G115 I116 S117 G167 C168 L177G115-S145 PolarHBondContact O-N 3.07Å; I116-S145 CarbonylContact C-O 3.56Å; I116-S145 VanDerWaalsContact CA-O 3.28Å; I116-S145 WeakPolarHBondContact CA-O 3.33Å; S117-S145 PolarHBondContact N-O 3.48Å; S145-G167 CarbonylContact C-O 3.59Å; S145-G167 VanDerWaalsContact CA-O 3.31Å; S145-G167 WeakPolarHBondContact CA-O 3.24Å; S145-G167 WeakPolarHBondContact CB-O 3.41Å; S145-C168 PolarHBondContact OG-SG 3.34Å; S145-L177 WeakPolarHBondContact OG-CD1 3.48Å
146V98.8Very high97Very high0 Ų032.8 Ų32.80%019%0.193CC..EExtended strand (participates in β ladder)trans-134.2153.7174.9-59.50000111.7S117 M148 I166 G167 V194 V197 E198S117-V146 CarbonylContact O-C 3.55Å; S117-V146 VanDerWaalsContact O-CA 3.27Å; S117-V146 WeakPolarHBondContact O-CA 3.38Å; V146-M148 HydrophobicContact CB-CE 4.24Å; V146-I166 CarbonylContact O-C 3.52Å; V146-I166 VanDerWaalsContact O-CA 3.23Å; V146-I166 WeakPolarHBondContact O-CA 3.41Å; V146-G167 PolarHBondContact N-O 2.96Å; V146-G167 PolarHBondContact O-N 2.96Å; V146-V194 HydrophobicContact CG1-CG1 3.99Å; V146-V194 HydrophobicContact CG2-CG1 3.89Å; V146-V197 HydrophobicContact CG2-CB 3.84Å; V146-V197 HydrophobicContact CG2-CG1 3.68Å; V146-E198 HydrophobicContact CB-CB 4.44Å; V146-E198 HydrophobicContact CG1-CB 4.08Å; V146-E198 HydrophobicContact CG1-CG 4.21Å; V146-E198 HydrophobicContact CG2-CB 4.23Å
147L98.8Very high97Very high0 Ų032.8 Ų32.80%019%0.193CC..EExtended strand (participates in β ladder)trans-130.5116.8171.6-179.4159.1000110W14 I116 S117 L118 T164 T165 I166 M181 F186W14-L147 HydrophobicContact CZ2-CD2 4.14Å; I116-L147 HydrophobicContact CD1-CB 3.78Å; I116-L147 HydrophobicContact CG1-CB 4.44Å; S117-L147 PolarHBondContact O-N 3.31Å; L118-L147 HydrophobicContact CD1-CB 3.84Å; L118-L147 HydrophobicContact CD2-CD2 4.36Å; L118-L147 HydrophobicContact CG-CB 3.96Å; L118-L147 HydrophobicContact CG-CD2 4.1Å; L118-L147 HydrophobicContact CG-CG 4.46Å; L147-T164 HydrophobicContact CD1-CG2 4.04Å; L147-T164 HydrophobicContact CD2-CG2 4.2Å; L147-T164 WeakPolarHBondContact CD2-OG1 3.36Å; L147-T164 HydrophobicContact CG-CG2 4.05Å; L147-T165 WeakPolarHBondContact CA-O 3.41Å; L147-I166 HydrophobicContact CB-CG1 4.23Å; L147-I166 HydrophobicContact CD1-CD1 4.35Å; L147-I166 HydrophobicContact CD1-CG1 4.02Å; L147-I166 HydrophobicContact CG-CG1 4.21Å; L147-M181 HydrophobicContact CD1-CE 3.91Å; L147-M181 HydrophobicContact CD1-SD 3.7Å; L147-F186 HydrophobicContact CD1-CE1 4.32Å; L147-F186 HydrophobicContact CD1-CZ 4.47Å; L147-F186 HydrophobicContact CD2-CZ 4.35Å
148M98.4Very high97Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-132.1145.5178.5-54.6-56.4172.500109.9I119 K120 V146 T164 T165 V197 E198 C256I119-M148 WeakPolarHBondContact O-CE 3.47Å; K120-M148 HydrophobicContact CD-SD 4.49Å; K120-M148 HydrophobicContact CG-SD 3.67Å; V146-M148 HydrophobicContact CB-CE 4.24Å; M148-T164 PolarHBondContact O-OG1 3.21Å; M148-T164 VanDerWaalsContact O-OG1 3.09Å; M148-T165 PolarHBondContact N-O 3.38Å; M148-T165 PolarHBondContact O-N 2.68Å; M148-V197 HydrophobicContact CB-CG1 3.81Å; M148-V197 HydrophobicContact CG-CG1 3.84Å; M148-V197 WeakPolarHBondContact CG-O 3.45Å; M148-E198 HydrophobicContact CE-CB 4.35Å; M148-E198 HydrophobicContact CE-CG 3.93Å; M148-C256 HydrophobicContact CB-CB 3.62Å; M148-C256 WeakPolarHBondContact O-CB 3.47Å
149G97.3Very high97.1Very high0 Ų035.5 Ų35.50%020%0.204CC..SBendtrans165.9166.8-173.700000113.4K120 N151 S255 D260K120-G149 PolarHBondContact NZ-O 3.37Å; G149-N151 WeakPolarHBondContact CA-OD1 3.25Å; G149-N151 PolarHBondContact O-N 3.49Å; G149-N151 PolarHBondContact O-OD1 3.33Å; G149-N151 VanDerWaalsContact O-OD1 3.07Å; G149-S255 WeakPolarHBondContact CA-OG 3.34Å; G149-D260 VanDerWaalsContact C-CB 3.46Å; G149-D260 PolarHBondContact N-OD2 3.29Å; G149-D260 VanDerWaalsContact O-OD1 3.06Å
150A96.3Very high97.1Very high14 Ų1435.6 Ų35.612%0.11621%0.207CC..SBendtrans-65.969.1179.400000112.2C162 S255 A259 T263A150-C162 WeakPolarHBondContact O-CB 3.41Å; A150-S255 PolarHBondContact N-OG 2.85Å; A150-S255 VanDerWaalsContact N-OG 3.1Å; A150-A259 HydrophobicContact CB-CB 4.09Å; A150-T263 HydrophobicContact CB-CG2 4.26Å
151N94.3Very high97.1Very high11 Ų1140.4 Ų40.46%0.05923%0.227CC..  trans-121.677.2-168.2-48.1127.7000109.7W14 G149 A153 V156 C162 E163 T164 F186W14-N151 HydrophobicContact CH2-CB 3.55Å; W14-N151 HydrophobicContact CZ2-CB 3.84Å; W14-N151 HydrophobicContact CZ3-CB 3.96Å; G149-N151 WeakPolarHBondContact CA-OD1 3.25Å; G149-N151 PolarHBondContact O-N 3.49Å; G149-N151 PolarHBondContact O-OD1 3.33Å; G149-N151 VanDerWaalsContact O-OD1 3.07Å; N151-A153 PolarHBondContact O-N 3.13Å; N151-V156 HydrophobicContact CB-CG2 4.09Å; N151-C162 PolarHBondContact ND2-SG 3.05Å; N151-E163 PolarHBondContact ND2-O 3.29Å; N151-E163 VanDerWaalsContact ND2-O 3.08Å; N151-T164 WeakPolarHBondContact OD1-CB 3.22Å; N151-T164 PolarHBondContact OD1-OG1 2.9Å; N151-F186 HydrophobicContact CB-CE2 4.3Å; N151-F186 WeakPolarHBondContact ND2-CE2 3.37Å
152I93.2Very high97.1Very high41 Ų4137.9 Ų37.921%0.2120%0.199CC..  trans-68.6114.9169.8-61.3-65.3000107.6S154 E155 V156 T263I152-S154 VanDerWaalsContact C-N 3.31Å; I152-S154 PolarHBondContact O-N 3.35Å; I152-E155 HydrophobicContact CB-CB 4.26Å; I152-E155 HydrophobicContact CB-CG 4.1Å; I152-E155 HydrophobicContact CG2-CB 4.49Å; I152-E155 HydrophobicContact CG2-CG 3.98Å; I152-E155 WeakPolarHBondContact O-CB 3.5Å; I152-E155 PolarHBondContact O-N 3.5Å; I152-V156 PolarHBondContact O-N 3.25Å; I152-T263 HydrophobicContact CD1-CG2 4.07Å; I152-T263 HydrophobicContact CG1-CG2 3.63Å
153A93.8Very high97.1Very high11 Ų1142 Ų429%0.09122%0.218CC..Hα-helixtrans-53.5-43.1-167.900000114.3N13 W14 A17 N151 E155 V156 A157N13-A153 HydrophobicContact CB-CB 4.25Å; N13-A153 VanDerWaalsContact OD1-CB 3.22Å; N13-A153 WeakPolarHBondContact OD1-CB 3.17Å; W14-A153 HydrophobicContact CB-CB 4.25Å; W14-A153 HydrophobicContact CE3-CB 3.85Å; A17-A153 HydrophobicContact CB-CB 4.11Å; A17-A153 WeakPolarHBondContact CB-O 3.34Å; N151-A153 PolarHBondContact O-N 3.13Å; A153-E155 PolarHBondContact O-N 2.94Å; A153-V156 PolarHBondContact O-N 3.42Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 3.33Å
154S93.1Very high97.2Very high48 Ų4837.8 Ų37.834%0.33619%0.19SC..Hα-helixtrans-64.9-38.5177.454.30000112.4I152 A157 D158I152-S154 VanDerWaalsContact C-N 3.31Å; I152-S154 PolarHBondContact O-N 3.35Å; S154-A157 PolarHBondContact O-N 3.33Å; S154-D158 WeakPolarHBondContact O-CB 3.47Å; S154-D158 PolarHBondContact O-N 3.02Å
155E96.5Very high97.2Very high79 Ų7936.3 Ų36.337%0.36918%0.183SC..Hα-helixtrans-70.9-35.7178.2-61.9-156.3131.900112.2I152 A153 A157 D158 E159 K160I152-E155 HydrophobicContact CB-CB 4.26Å; I152-E155 HydrophobicContact CB-CG 4.1Å; I152-E155 HydrophobicContact CG2-CB 4.49Å; I152-E155 HydrophobicContact CG2-CG 3.98Å; I152-E155 WeakPolarHBondContact O-CB 3.5Å; I152-E155 PolarHBondContact O-N 3.5Å; A153-E155 PolarHBondContact O-N 2.94Å; E155-A157 VanDerWaalsContact C-N 3.33Å; E155-D158 CarbonylContact O-C 3.56Å; E155-D158 PolarHBondContact O-N 3.39Å; E155-E159 PolarHBondContact O-N 3.3Å; E155-K160 HydrophobicContact CB-CB 4.3Å; E155-K160 HydrophobicContact CB-CD 4.03Å; E155-K160 HydrophobicContact CB-CG 4.42Å; E155-K160 HydrophobicContact CG-CD 4.13Å; E155-K160 WeakPolarHBondContact O-CB 3.31Å; E155-K160 PolarHBondContact O-N 2.98Å; E155-K160 IonicContact OE1-NZ 2.73Å; E155-K160 PolarHBondContact OE1-NZ 3.34Å
156V97.9Very high97.2Very high9 Ų936.1 Ų36.16%0.05518%0.181CC..Hα-helixtrans-64.6-41.3171.6177.90000110.5W14 I21 N151 I152 A153 D158 E159 F186W14-V156 HydrophobicContact CH2-CG1 4.26Å; W14-V156 HydrophobicContact CH2-CG2 4.22Å; W14-V156 HydrophobicContact CZ3-CB 3.89Å; W14-V156 HydrophobicContact CZ3-CG1 3.87Å; W14-V156 HydrophobicContact CZ3-CG2 3.78Å; I21-V156 HydrophobicContact CD1-CG1 3.56Å; N151-V156 HydrophobicContact CB-CG2 4.09Å; I152-V156 PolarHBondContact O-N 3.25Å; A153-V156 PolarHBondContact O-N 3.42Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.06Å; V156-E159 WeakPolarHBondContact O-CA 3.36Å; V156-E159 PolarHBondContact O-N 3.07Å; V156-F186 HydrophobicContact CG1-CD2 3.91Å; V156-F186 HydrophobicContact CG1-CE2 4.19Å; V156-F186 HydrophobicContact CG2-CD2 4.32Å; V156-F186 HydrophobicContact CG2-CE2 4.25Å
157A98Very high97.1Very high1 Ų136.1 Ų36.11%0.00818%0.181CC..Hα-helixtrans-66.3-33.7176.200000112.9A17 K20 L64 H67 A153 S154 E155 E159A17-A157 HydrophobicContact CB-CB 4.3Å; K20-A157 PolarHBondContact NZ-O 3.47Å; L64-A157 HydrophobicContact CD1-CB 3.69Å; L64-A157 HydrophobicContact CD2-CB 3.83Å; L64-A157 HydrophobicContact CG-CB 4.2Å; H67-A157 HydrophobicContact CB-CB 4.42Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 3.33Å; S154-A157 PolarHBondContact O-N 3.33Å; E155-A157 VanDerWaalsContact C-N 3.33Å; A157-E159 PolarHBondContact O-N 3.28Å
158D98Very high97.1Very high85 Ų8536.2 Ų36.246%0.45518%0.182SC..THydrogen-bonded Turntrans-72-0.1169.8-68.3-24.4000113.3H67 S154 E155 V156 K160H67-D158 IonicContact CD2-OD1 2.84Å; H67-D158 IonicContact CE1-OD1 2.55Å; H67-D158 IonicContact NE2-OD1 2.92Å; H67-D158 PolarHBondContact NE2-OD1 3.22Å; S154-D158 WeakPolarHBondContact O-CB 3.47Å; S154-D158 PolarHBondContact O-N 3.02Å; E155-D158 CarbonylContact O-C 3.56Å; E155-D158 PolarHBondContact O-N 3.39Å; V156-D158 VanDerWaalsContact C-N 3.32Å; V156-D158 PolarHBondContact O-N 3.06Å; D158-K160 HydrophobicContact CB-CG 4.1Å; D158-K160 PolarHBondContact O-N 3.43Å
159E97.6Very high97Very high117 Ų11743.5 Ų43.555%0.54721%0.214SC..THydrogen-bonded Turntrans60.127.4-178.6-56.1176.2167.700113.4K20 E155 V156 A157 N185K20-E159 WeakPolarHBondContact CE-OE1 3.48Å; K20-E159 IonicContact NZ-OE1 3.15Å; K20-E159 PolarHBondContact NZ-OE1 2.98Å; E155-E159 PolarHBondContact O-N 3.3Å; V156-E159 WeakPolarHBondContact O-CA 3.36Å; V156-E159 PolarHBondContact O-N 3.07Å; A157-E159 PolarHBondContact O-N 3.28Å; E159-N185 WeakPolarHBondContact O-CB 2.93Å; E159-N185 VanDerWaalsContact O-CG 3.3Å; E159-N185 PolarHBondContact O-ND2 2.78Å
160K98.2Very high97Very high100 Ų10047.5 Ų47.544%0.43524%0.235SC..  trans-68.7146.8169.3-58.3-170-162.6173.20109.8E155 D158 C162E155-K160 HydrophobicContact CB-CB 4.3Å; E155-K160 HydrophobicContact CB-CD 4.03Å; E155-K160 HydrophobicContact CB-CG 4.42Å; E155-K160 HydrophobicContact CG-CD 4.13Å; E155-K160 WeakPolarHBondContact O-CB 3.31Å; E155-K160 PolarHBondContact O-N 2.98Å; E155-K160 IonicContact OE1-NZ 2.73Å; E155-K160 PolarHBondContact OE1-NZ 3.34Å; D158-K160 HydrophobicContact CB-CG 4.1Å; D158-K160 PolarHBondContact O-N 3.43Å; K160-C162 PolarHBondContact O-N 2.82Å
161F98.2Very high97Very high124 Ų12450.8 Ų50.854%0.54426%0.255SS..  trans-61.5131.7178.5178.1-92.3000111.5E163 N185 R187F161-E163 HydrophobicContact CE1-CG 3.91Å; F161-E163 HydrophobicContact CZ-CG 3.77Å; F161-N185 CarbonylContact C-O 3.58Å; F161-N185 VanDerWaalsContact CA-O 3.32Å; F161-N185 WeakPolarHBondContact CA-O 3.14Å; F161-R187 HydrophobicContact CE2-CG 3.76Å; F161-R187 HydrophobicContact CZ-CG 4.36Å
162C97.7Very high97.1Very high15 Ų1553.6 Ų53.610%0.10128%0.28CS..EExtended strand (participates in β ladder)trans-152.2165.2166.965.40000111.4A150 N151 K160 N185 F186 R187A150-C162 WeakPolarHBondContact O-CB 3.41Å; N151-C162 PolarHBondContact ND2-SG 3.05Å; K160-C162 PolarHBondContact O-N 2.82Å; C162-N185 PolarHBondContact N-O 3.37Å; C162-F186 WeakPolarHBondContact SG-CD2 3.42Å; C162-R187 PolarHBondContact O-N 3.39Å
163E98.4Very high97.4Very high102 Ų10253 Ų5348%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-114.7155177.7-64.3173.7108.900109.7N151 F161 R187 S255N151-E163 PolarHBondContact ND2-O 3.29Å; N151-E163 VanDerWaalsContact ND2-O 3.08Å; F161-E163 HydrophobicContact CE1-CG 3.91Å; F161-E163 HydrophobicContact CZ-CG 3.77Å; E163-R187 CarbonylContact C-O 3.42Å; E163-R187 WeakPolarHBondContact CA-O 3.31Å; E163-R187 HydrophobicContact CG-CB 4.39Å; E163-S255 WeakPolarHBondContact O-CB 3.49Å; E163-S255 PolarHBondContact O-OG 2.83Å
164T98.5Very high97.6Very high1 Ų152.5 Ų52.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-148163.8173.8-160.70000110.8L147 M148 N151 F186 R187 I188 T189L147-T164 HydrophobicContact CD1-CG2 4.04Å; L147-T164 HydrophobicContact CD2-CG2 4.2Å; L147-T164 WeakPolarHBondContact CD2-OG1 3.36Å; L147-T164 HydrophobicContact CG-CG2 4.05Å; M148-T164 PolarHBondContact O-OG1 3.21Å; M148-T164 VanDerWaalsContact O-OG1 3.09Å; N151-T164 WeakPolarHBondContact OD1-CB 3.22Å; N151-T164 PolarHBondContact OD1-OG1 2.9Å; T164-F186 HydrophobicContact CG2-CD1 4.2Å; T164-F186 HydrophobicContact CG2-CE1 3.38Å; T164-F186 HydrophobicContact CG2-CE2 4.42Å; T164-F186 HydrophobicContact CG2-CZ 3.5Å; T164-R187 PolarHBondContact N-O 2.69Å; T164-I188 HydrophobicContact CG2-CB 4.3Å; T164-I188 HydrophobicContact CG2-CD1 4.31Å; T164-I188 HydrophobicContact CG2-CG1 3.69Å; T164-I188 HydrophobicContact CG2-CG2 4.33Å; T164-I188 WeakPolarHBondContact O-CA 3.38Å; T164-T189 PolarHBondContact O-N 3.12Å
165T98.8Very high97.9Very high0 Ų054.3 Ų54.30%028%0.275CS..EExtended strand (participates in β ladder)trans-121.8124.1-178.7-48.20000109.2L147 M148 T189 V191 V197 E254 S255 C256L147-T165 WeakPolarHBondContact CA-O 3.41Å; M148-T165 PolarHBondContact N-O 3.38Å; M148-T165 PolarHBondContact O-N 2.68Å; T165-T189 CarbonylContact C-O 3.49Å; T165-T189 WeakPolarHBondContact CA-O 3.42Å; T165-V191 HydrophobicContact CG2-CG1 4.06Å; T165-V191 HydrophobicContact CG2-CG2 3.76Å; T165-V197 HydrophobicContact CG2-CG1 4.36Å; T165-V197 HydrophobicContact CG2-CG2 3.9Å; T165-E254 HydrophobicContact CG2-CB 4.2Å; T165-E254 WeakPolarHBondContact OG1-CB 3.26Å; T165-S255 PolarHBondContact OG1-N 2.83Å; T165-C256 PolarHBondContact OG1-N 2.9Å; T165-C256 VanDerWaalsContact OG1-N 3.12Å
166I98.8Very high98Very high0 Ų052.2 Ų52.20%027%0.267CS..EExtended strand (participates in β ladder)trans-93122.8167.3-69.6-179.9000108.7I116 V146 L147 C168 L177 M181 I188 T189 V190 V191I116-I166 HydrophobicContact CD1-CD1 4.35Å; I116-I166 HydrophobicContact CD1-CG1 4.36Å; V146-I166 CarbonylContact O-C 3.52Å; V146-I166 VanDerWaalsContact O-CA 3.23Å; V146-I166 WeakPolarHBondContact O-CA 3.41Å; L147-I166 HydrophobicContact CB-CG1 4.23Å; L147-I166 HydrophobicContact CD1-CD1 4.35Å; L147-I166 HydrophobicContact CD1-CG1 4.02Å; L147-I166 HydrophobicContact CG-CG1 4.21Å; I166-C168 HydrophobicContact CG2-CB 3.98Å; I166-L177 HydrophobicContact CD1-CB 3.89Å; I166-M181 HydrophobicContact CD1-CE 3.56Å; I166-I188 HydrophobicContact CB-CG2 4.17Å; I166-I188 HydrophobicContact CD1-CD1 4.23Å; I166-I188 HydrophobicContact CD1-CG2 3.59Å; I166-I188 HydrophobicContact CG1-CG2 3.62Å; I166-T189 PolarHBondContact N-O 3.35Å; I166-V190 HydrophobicContact CB-CG2 4.33Å; I166-V190 HydrophobicContact CG2-CG1 4.47Å; I166-V190 CarbonylContact O-C 3.52Å; I166-V190 WeakPolarHBondContact O-CA 3.43Å; I166-V191 PolarHBondContact O-N 2.77Å
167G98.5Very high98Very high0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-89.8114.416400000109.5S145 V146 V191S145-G167 CarbonylContact C-O 3.59Å; S145-G167 VanDerWaalsContact CA-O 3.31Å; S145-G167 WeakPolarHBondContact CA-O 3.24Å; S145-G167 WeakPolarHBondContact CB-O 3.41Å; V146-G167 PolarHBondContact N-O 2.96Å; V146-G167 PolarHBondContact O-N 2.96Å; G167-V191 WeakPolarHBondContact CA-O 3.44Å
168C98.4Very high98.1Very high3 Ų353.8 Ų53.82%0.0227%0.272CS..  trans-143.6127.5177.5-1700000111.4S145 I166 D170 G174 V190 V191S145-C168 PolarHBondContact OG-SG 3.34Å; I166-C168 HydrophobicContact CG2-CB 3.98Å; C168-D170 PolarHBondContact SG-O 2.93Å; C168-G174 PolarHBondContact SG-N 2.93Å; C168-V190 HydrophobicContact CB-CG1 4.41Å; C168-V191 PolarHBondContact N-O 3.22Å
169K96.4Very high98.1Very high152 Ų15253 Ų5366%0.66127%0.266SS*.SBendtrans-69.2-33.2178.8-65.4-177.2-178.5174.70112.8P171 V194K169-P171 WeakPolarHBondContact O-CD 3.44Å; K169-V194 HydrophobicContact CG-CG2 3.72Å
170D97.2Very high98.1Very high84 Ų8447.5 Ų47.545%0.44924%0.24SC..SBendtrans-96.3112177.6175.15.1000109.9C168 A172 Q173 G174C168-D170 PolarHBondContact SG-O 2.93Å; D170-A172 PolarHBondContact O-N 2.85Å; D170-A172 WeakPolarHBondContact OD1-CB 3.48Å; D170-A172 PolarHBondContact OD1-N 3.46Å; D170-Q173 HydrophobicContact CB-CB 3.92Å; D170-Q173 PolarHBondContact O-N 3.11Å; D170-G174 PolarHBondContact O-N 2.99Å
171P95.6Very high98.2Very high83 Ų8342.7 Ų42.754%0.53922%0.22SC..Hα-helixtrans-57.4-33.7179.5-25.235.1000114K169 G174 Q175K169-P171 WeakPolarHBondContact O-CD 3.44Å; P171-G174 PolarHBondContact O-N 3.25Å; P171-Q175 WeakPolarHBondContact O-CB 3.44Å; P171-Q175 PolarHBondContact O-N 3.35Å
172A97.4Very high98.2Very high70 Ų7039 Ų3958%0.57920%0.204SC*.Hα-helixtrans-69.6-43.9179.800000111D170 G174 Q175 L176D170-A172 PolarHBondContact O-N 2.85Å; D170-A172 WeakPolarHBondContact OD1-CB 3.48Å; D170-A172 PolarHBondContact OD1-N 3.46Å; A172-G174 VanDerWaalsContact C-N 3.35Å; A172-Q175 PolarHBondContact O-N 3.21Å; A172-L176 PolarHBondContact O-N 3.39Å
173Q98.3Very high98.2Very high30 Ų3039.9 Ų39.914%0.1421%0.209CC..Hα-helixtrans-63.1-41.5172.6-178.363.733.900111.5T114 D170 Q175 L176 L177T114-Q173 PolarHBondContact OG1-NE2 2.86Å; D170-Q173 HydrophobicContact CB-CB 3.92Å; D170-Q173 PolarHBondContact O-N 3.11Å; Q173-Q175 VanDerWaalsContact C-N 3.32Å; Q173-Q175 PolarHBondContact O-N 3.19Å; Q173-L176 WeakPolarHBondContact O-CB 3.25Å; Q173-L176 PolarHBondContact O-N 2.87Å; Q173-L177 HydrophobicContact CG-CD1 4.03Å; Q173-L177 HydrophobicContact CG-CG 4.44Å; Q173-L177 VanDerWaalsContact O-CG 3.31Å; Q173-L177 WeakPolarHBondContact O-CG 3.4Å; Q173-L177 PolarHBondContact O-N 3.44Å
174G98.7Very high98.2Very high0 Ų040.2 Ų40.20%022%0.22CC..Hα-helixtrans-60.3-41.1176.700000112.5C168 D170 P171 A172 L177 K178C168-G174 PolarHBondContact SG-N 2.93Å; D170-G174 PolarHBondContact O-N 2.99Å; P171-G174 PolarHBondContact O-N 3.25Å; A172-G174 VanDerWaalsContact C-N 3.35Å; G174-L177 PolarHBondContact O-N 3.24Å; G174-K178 WeakPolarHBondContact O-CB 3.2Å; G174-K178 PolarHBondContact O-N 3.04Å
175Q98.4Very high98.2Very high85 Ų8543.3 Ų43.340%0.39724%0.236SC..Hα-helixtrans-67.3-40.4175.5-176.355.935.700112.2P171 A172 Q173 K178 E179P171-Q175 WeakPolarHBondContact O-CB 3.44Å; P171-Q175 PolarHBondContact O-N 3.35Å; A172-Q175 PolarHBondContact O-N 3.21Å; Q173-Q175 VanDerWaalsContact C-N 3.32Å; Q173-Q175 PolarHBondContact O-N 3.19Å; Q175-K178 WeakPolarHBondContact O-CB 3.43Å; Q175-K178 PolarHBondContact O-N 2.81Å; Q175-E179 PolarHBondContact NE2-OE1 3.46Å; Q175-E179 WeakPolarHBondContact O-CG 3.35Å; Q175-E179 PolarHBondContact O-N 2.98Å
176L98.6Very high98.2Very high36 Ų3643.4 Ų43.419%0.18824%0.237CC..Hα-helixtrans-60.9-46.2174.2-179.469.9000111.8F32 I88 A172 Q173 K178 E179 L180F32-L176 HydrophobicContact CE1-CD1 3.81Å; F32-L176 HydrophobicContact CE1-CG 4.22Å; F32-L176 HydrophobicContact CZ-CD1 3.64Å; F32-L176 HydrophobicContact CZ-CG 4.2Å; I88-L176 HydrophobicContact CD1-CD2 4.05Å; I88-L176 HydrophobicContact CD1-CG 4.42Å; A172-L176 PolarHBondContact O-N 3.39Å; Q173-L176 WeakPolarHBondContact O-CB 3.25Å; Q173-L176 PolarHBondContact O-N 2.87Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.98Å; L176-E179 PolarHBondContact O-N 2.97Å; L176-L180 PolarHBondContact O-N 3.36Å
177L98.8Very high98.2Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-64.5-38.1177.1-70169000111.5I88 I116 S145 I166 Q173 G174 L180 M181I88-L177 HydrophobicContact CG2-CD2 3.92Å; I116-L177 HydrophobicContact CB-CD1 4.41Å; I116-L177 HydrophobicContact CB-CD2 4.34Å; I116-L177 HydrophobicContact CD1-CD1 4.17Å; I116-L177 HydrophobicContact CG2-CD2 4.18Å; S145-L177 WeakPolarHBondContact OG-CD1 3.48Å; I166-L177 HydrophobicContact CD1-CB 3.89Å; Q173-L177 HydrophobicContact CG-CD1 4.03Å; Q173-L177 HydrophobicContact CG-CG 4.44Å; Q173-L177 VanDerWaalsContact O-CG 3.31Å; Q173-L177 WeakPolarHBondContact O-CG 3.4Å; Q173-L177 PolarHBondContact O-N 3.44Å; G174-L177 PolarHBondContact O-N 3.24Å; L177-L180 PolarHBondContact O-N 3.07Å; L177-M181 HydrophobicContact CB-CE 3.87Å; L177-M181 HydrophobicContact CD2-CE 4.33Å; L177-M181 WeakPolarHBondContact O-CE 3.43Å; L177-M181 PolarHBondContact O-N 2.85Å; L177-M181 VanDerWaalsContact O-N 3.13Å
178K98.7Very high98.2Very high42 Ų4249 Ų4918%0.18326%0.258CS..Hα-helixtrans-60.6-45.5173.1169.2165.2178.2161.50111.5G174 Q175 L176 L180 M181 Q182 I188 V190G174-K178 WeakPolarHBondContact O-CB 3.2Å; G174-K178 PolarHBondContact O-N 3.04Å; Q175-K178 WeakPolarHBondContact O-CB 3.43Å; Q175-K178 PolarHBondContact O-N 2.81Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.98Å; K178-L180 VanDerWaalsContact C-N 3.32Å; K178-L180 PolarHBondContact O-N 3.19Å; K178-M181 PolarHBondContact O-N 3.44Å; K178-Q182 HydrophobicContact CG-CB 4.33Å; K178-Q182 WeakPolarHBondContact O-CA 3.16Å; K178-Q182 WeakPolarHBondContact O-CB 3.49Å; K178-Q182 PolarHBondContact O-N 2.93Å; K178-I188 HydrophobicContact CB-CG2 4.27Å; K178-I188 HydrophobicContact CD-CB 4.28Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; K178-I188 VanDerWaalsContact CE-O 3.29Å; K178-I188 WeakPolarHBondContact CE-O 3.22Å; K178-I188 HydrophobicContact CG-CB 4.07Å; K178-I188 HydrophobicContact CG-CG2 4.31Å; K178-I188 PolarHBondContact NZ-O 3.24Å; K178-V190 HydrophobicContact CB-CG2 4.06Å; K178-V190 HydrophobicContact CD-CG2 4Å
179E98.4Very high98.2Very high70 Ų7051.3 Ų51.333%0.32727%0.272SS..Hα-helixtrans-64.1-37.3176.6-73.4164.3-164.200112.4L29 Q31 Q175 L176 M181L29-E179 WeakPolarHBondContact CD1-O 3.34Å; Q31-E179 PolarHBondContact NE2-OE2 3.26Å; Q175-E179 PolarHBondContact NE2-OE1 3.46Å; Q175-E179 WeakPolarHBondContact O-CG 3.35Å; Q175-E179 PolarHBondContact O-N 2.98Å; L176-E179 PolarHBondContact O-N 2.97Å; E179-M181 VanDerWaalsContact C-N 3.32Å; E179-M181 PolarHBondContact O-N 3.12Å
180L98.8Very high98.3Very high0 Ų046.3 Ų46.30%026%0.255CS..Hα-helixtrans-63.7-35.5176.9-176.456.7000112.9V6 V22 N25 F32 I88 I90 L176 L177 K178V6-L180 HydrophobicContact CG1-CD2 4.05Å; V6-L180 HydrophobicContact CG2-CD1 4.05Å; V6-L180 HydrophobicContact CG2-CD2 3.9Å; V22-L180 HydrophobicContact CG1-CD1 4.02Å; V22-L180 HydrophobicContact CG1-CG 4.29Å; V22-L180 HydrophobicContact CG2-CG 4.47Å; N25-L180 VanDerWaalsContact CB-O 3.29Å; N25-L180 WeakPolarHBondContact CB-O 3.35Å; N25-L180 PolarHBondContact ND2-O 3.45Å; F32-L180 HydrophobicContact CD1-CD1 3.88Å; F32-L180 HydrophobicContact CD2-CD1 3.91Å; F32-L180 HydrophobicContact CE1-CB 4.06Å; F32-L180 HydrophobicContact CE1-CD1 3.93Å; F32-L180 HydrophobicContact CE1-CD2 4.3Å; F32-L180 HydrophobicContact CE1-CG 4.32Å; F32-L180 HydrophobicContact CE2-CB 3.99Å; F32-L180 HydrophobicContact CE2-CD1 3.94Å; F32-L180 HydrophobicContact CG-CD1 3.9Å; F32-L180 HydrophobicContact CZ-CB 3.59Å; F32-L180 HydrophobicContact CZ-CD1 3.96Å; F32-L180 HydrophobicContact CZ-CG 4.26Å; I88-L180 HydrophobicContact CD1-CD2 4.04Å; I88-L180 HydrophobicContact CG2-CD2 4.19Å; I90-L180 HydrophobicContact CD1-CD2 4.26Å; L176-L180 PolarHBondContact O-N 3.36Å; L177-L180 PolarHBondContact O-N 3.07Å; K178-L180 VanDerWaalsContact C-N 3.32Å; K178-L180 PolarHBondContact O-N 3.19Å
181M98.8Very high98.3Very high0 Ų043.3 Ų43.30%024%0.239CC..Hα-helixtrans-115.7-9.9-169-66.1178.4-74.700114.9I18 I21 V22 I116 L147 I166 L177 K178 E179 F186 I188I18-M181 HydrophobicContact CD1-CB 4.42Å; I18-M181 HydrophobicContact CD1-CG 4.17Å; I18-M181 HydrophobicContact CD1-SD 4.16Å; I18-M181 HydrophobicContact CG1-SD 4.44Å; I21-M181 WeakPolarHBondContact CG2-O 3.45Å; V22-M181 HydrophobicContact CG2-CG 3.84Å; I116-M181 HydrophobicContact CD1-CE 3.55Å; I116-M181 HydrophobicContact CD1-SD 4.45Å; L147-M181 HydrophobicContact CD1-CE 3.91Å; L147-M181 HydrophobicContact CD1-SD 3.7Å; I166-M181 HydrophobicContact CD1-CE 3.56Å; L177-M181 HydrophobicContact CB-CE 3.87Å; L177-M181 HydrophobicContact CD2-CE 4.33Å; L177-M181 WeakPolarHBondContact O-CE 3.43Å; L177-M181 PolarHBondContact O-N 2.85Å; L177-M181 VanDerWaalsContact O-N 3.13Å; K178-M181 PolarHBondContact O-N 3.44Å; E179-M181 VanDerWaalsContact C-N 3.32Å; E179-M181 PolarHBondContact O-N 3.12Å; M181-F186 WeakPolarHBondContact O-CD1 3.24Å; M181-I188 HydrophobicContact CB-CD1 3.67Å
182Q98.5Very high98.3Very high46 Ų4645.4 Ų45.422%0.21524%0.241CC..  trans-79.9141.1-177.4-177.5171.6-107.100111.6N25 K178 F186 R187 I188N25-Q182 PolarHBondContact ND2-O 2.64Å; K178-Q182 HydrophobicContact CG-CB 4.33Å; K178-Q182 WeakPolarHBondContact O-CA 3.16Å; K178-Q182 WeakPolarHBondContact O-CB 3.49Å; K178-Q182 PolarHBondContact O-N 2.93Å; Q182-F186 WeakPolarHBondContact CA-O 3.22Å; Q182-F186 WeakPolarHBondContact CG-O 3.44Å; Q182-R187 VanDerWaalsContact CD-NH1 3.27Å; Q182-I188 HydrophobicContact CB-CD1 3.99Å; Q182-I188 HydrophobicContact CB-CG1 4.11Å
183T98.5Very high98.3Very high34 Ų3444 Ų4421%0.20922%0.223CC..  trans-133.4174.8167.177.50000109.2I21 N185 F186I21-T183 HydrophobicContact CB-CG2 4.49Å; I21-T183 HydrophobicContact CG1-CG2 4.18Å; I21-T183 HydrophobicContact CG2-CG2 3.8Å; T183-N185 PolarHBondContact O-N 3.1Å; T183-N185 PolarHBondContact OG1-N 2.92Å; T183-F186 HydrophobicContact CG2-CB 4.46Å; T183-F186 PolarHBondContact N-O 3.35Å; T183-F186 CarbonylContact O-C 3.51Å; T183-F186 PolarHBondContact O-N 3.46Å; T183-F186 WeakPolarHBondContact OG1-CB 3.25Å; T183-F186 PolarHBondContact OG1-N 2.81Å
184P98Very high98.2Very high108 Ų10842.9 Ų42.970%0.70122%0.218SC*.SBendtrans-55.1-33.9171-2837.2000113.6
185N98.4Very high98.1Very high66 Ų6643.5 Ų43.535%0.35322%0.221SC..SBendtrans-102.1-2.5-177.4-64.7-21.8000113.7E159 F161 C162 T183E159-N185 WeakPolarHBondContact O-CB 2.93Å; E159-N185 VanDerWaalsContact O-CG 3.3Å; E159-N185 PolarHBondContact O-ND2 2.78Å; F161-N185 CarbonylContact C-O 3.58Å; F161-N185 VanDerWaalsContact CA-O 3.32Å; F161-N185 WeakPolarHBondContact CA-O 3.14Å; C162-N185 PolarHBondContact N-O 3.37Å; T183-N185 PolarHBondContact O-N 3.1Å; T183-N185 PolarHBondContact OG1-N 2.92Å
186F98.6Very high98.1Very high2 Ų239.4 Ų39.41%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-127.688175.3-167.1-93000108.8W14 I21 L147 N151 V156 C162 T164 M181 Q182 T183 I188W14-F186 AromaticContact CH2-CE2 3.72Å; W14-F186 HydrophobicContact CH2-CE2 3.72Å; W14-F186 AromaticContact CH2-CZ 3.93Å; W14-F186 HydrophobicContact CH2-CZ 3.93Å; W14-F186 HydrophobicContact CZ2-CE2 4.49Å; W14-F186 HydrophobicContact CZ2-CZ 4.31Å; I21-F186 HydrophobicContact CD1-CB 3.86Å; I21-F186 HydrophobicContact CD1-CD1 4.21Å; I21-F186 HydrophobicContact CD1-CD2 3.87Å; I21-F186 HydrophobicContact CD1-CG 3.71Å; L147-F186 HydrophobicContact CD1-CE1 4.32Å; L147-F186 HydrophobicContact CD1-CZ 4.47Å; L147-F186 HydrophobicContact CD2-CZ 4.35Å; N151-F186 HydrophobicContact CB-CE2 4.3Å; N151-F186 WeakPolarHBondContact ND2-CE2 3.37Å; V156-F186 HydrophobicContact CG1-CD2 3.91Å; V156-F186 HydrophobicContact CG1-CE2 4.19Å; V156-F186 HydrophobicContact CG2-CD2 4.32Å; V156-F186 HydrophobicContact CG2-CE2 4.25Å; C162-F186 WeakPolarHBondContact SG-CD2 3.42Å; T164-F186 HydrophobicContact CG2-CD1 4.2Å; T164-F186 HydrophobicContact CG2-CE1 3.38Å; T164-F186 HydrophobicContact CG2-CE2 4.42Å; T164-F186 HydrophobicContact CG2-CZ 3.5Å; M181-F186 WeakPolarHBondContact O-CD1 3.24Å; Q182-F186 WeakPolarHBondContact CA-O 3.22Å; Q182-F186 WeakPolarHBondContact CG-O 3.44Å; T183-F186 HydrophobicContact CG2-CB 4.46Å; T183-F186 PolarHBondContact N-O 3.35Å; T183-F186 CarbonylContact O-C 3.51Å; T183-F186 PolarHBondContact O-N 3.46Å; T183-F186 WeakPolarHBondContact OG1-CB 3.25Å; T183-F186 PolarHBondContact OG1-N 2.81Å; F186-I188 HydrophobicContact CD1-CD1 4.09Å; F186-I188 HydrophobicContact CD1-CG1 4.06Å; F186-I188 HydrophobicContact CE1-CD1 4.01Å; F186-I188 HydrophobicContact CE1-CG1 4.13Å
187R98.6Very high98.1Very high113 Ų11337.7 Ų37.743%0.42619%0.194SC..EExtended strand (participates in β ladder)trans-94.4138-171.8-65.4-64.9-67174.5-4.9111.4F161 C162 E163 T164 Q182F161-R187 HydrophobicContact CE2-CG 3.76Å; F161-R187 HydrophobicContact CZ-CG 4.36Å; C162-R187 PolarHBondContact O-N 3.39Å; E163-R187 CarbonylContact C-O 3.42Å; E163-R187 WeakPolarHBondContact CA-O 3.31Å; E163-R187 HydrophobicContact CG-CB 4.39Å; T164-R187 PolarHBondContact N-O 2.69Å; Q182-R187 VanDerWaalsContact CD-NH1 3.27Å
188I98.8Very high98.1Very high5 Ų537.7 Ų37.73%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-121.4124.2-169.5-53.5-172.9000110.9T164 I166 K178 M181 Q182 F186 V190T164-I188 HydrophobicContact CG2-CB 4.3Å; T164-I188 HydrophobicContact CG2-CD1 4.31Å; T164-I188 HydrophobicContact CG2-CG1 3.69Å; T164-I188 HydrophobicContact CG2-CG2 4.33Å; T164-I188 WeakPolarHBondContact O-CA 3.38Å; I166-I188 HydrophobicContact CB-CG2 4.17Å; I166-I188 HydrophobicContact CD1-CD1 4.23Å; I166-I188 HydrophobicContact CD1-CG2 3.59Å; I166-I188 HydrophobicContact CG1-CG2 3.62Å; K178-I188 HydrophobicContact CB-CG2 4.27Å; K178-I188 HydrophobicContact CD-CB 4.28Å; K178-I188 HydrophobicContact CD-CG2 4.43Å; K178-I188 VanDerWaalsContact CE-O 3.29Å; K178-I188 WeakPolarHBondContact CE-O 3.22Å; K178-I188 HydrophobicContact CG-CB 4.07Å; K178-I188 HydrophobicContact CG-CG2 4.31Å; K178-I188 PolarHBondContact NZ-O 3.24Å; M181-I188 HydrophobicContact CB-CD1 3.67Å; Q182-I188 HydrophobicContact CB-CD1 3.99Å; Q182-I188 HydrophobicContact CB-CG1 4.11Å; F186-I188 HydrophobicContact CD1-CD1 4.09Å; F186-I188 HydrophobicContact CD1-CG1 4.06Å; F186-I188 HydrophobicContact CE1-CD1 4.01Å; F186-I188 HydrophobicContact CE1-CG1 4.13Å; I188-V190 HydrophobicContact CG2-CG2 4.4Å
189T98.4Very high98Very high52 Ų5235.8 Ų35.832%0.31919%0.185SC..EExtended strand (participates in β ladder)trans-95138.7161.7-57.50000109.2T164 T165 I166 V191 E254T164-T189 PolarHBondContact O-N 3.12Å; T165-T189 CarbonylContact C-O 3.49Å; T165-T189 WeakPolarHBondContact CA-O 3.42Å; I166-T189 PolarHBondContact N-O 3.35Å; T189-V191 HydrophobicContact CG2-CG1 4.05Å; T189-E254 WeakPolarHBondContact CB-OE2 3.5Å; T189-E254 WeakPolarHBondContact CG2-OE2 3.31Å; T189-E254 PolarHBondContact OG1-OE2 3.17Å
190V98.3Very high98Very high47 Ų4732.4 Ų32.429%0.28517%0.169SC..EExtended strand (participates in β ladder)trans-109.2128.7175-177.40000108.3I166 C168 K178 I188I166-V190 HydrophobicContact CB-CG2 4.33Å; I166-V190 HydrophobicContact CG2-CG1 4.47Å; I166-V190 CarbonylContact O-C 3.52Å; I166-V190 WeakPolarHBondContact O-CA 3.43Å; C168-V190 HydrophobicContact CB-CG1 4.41Å; K178-V190 HydrophobicContact CB-CG2 4.06Å; K178-V190 HydrophobicContact CD-CG2 4Å; I188-V190 HydrophobicContact CG2-CG2 4.4Å
191V97.6Very high97.9Very high20 Ų2032.4 Ų32.412%0.12117%0.169CC..EExtended strand (participates in β ladder)trans-130.3161.7177.8-53.10000110.1T165 I166 G167 C168 T189 E193 V197 T251 E254T165-V191 HydrophobicContact CG2-CG1 4.06Å; T165-V191 HydrophobicContact CG2-CG2 3.76Å; I166-V191 PolarHBondContact O-N 2.77Å; G167-V191 WeakPolarHBondContact CA-O 3.44Å; C168-V191 PolarHBondContact N-O 3.22Å; T189-V191 HydrophobicContact CG2-CG1 4.05Å; V191-E193 WeakPolarHBondContact CB-OE2 3.21Å; V191-V197 HydrophobicContact CG2-CG2 3.37Å; V191-T251 HydrophobicContact CG2-CG2 4.31Å; V191-E254 HydrophobicContact CG1-CG 4.44Å
192Q96.3Very high97.8Very high127 Ų12732.4 Ų32.459%0.59317%0.169SC*.SBendtrans-93.7-14.8-177.1-72.8178.175.500113.1V194Q192-V194 PolarHBondContact O-N 3.24Å
193E96.8Very high97.8Very high42 Ų4230.2 Ų30.220%0.19616%0.159CC..  trans-77.262.8-179.1-61.678.5-17700112.4V191 D195 T196 V197 P246 T251V191-E193 WeakPolarHBondContact CB-OE2 3.21Å; E193-D195 PolarHBondContact O-N 2.63Å; E193-T196 PolarHBondContact O-N 2.67Å; E193-T196 VanDerWaalsContact O-N 3.13Å; E193-V197 WeakPolarHBondContact O-CG2 3.48Å; E193-V197 PolarHBondContact O-N 2.71Å; E193-P246 HydrophobicContact CG-CG 4.34Å; E193-P246 VanDerWaalsContact CG-O 3.29Å; E193-P246 WeakPolarHBondContact CG-O 3.23Å; E193-T251 HydrophobicContact CB-CG2 4.45Å
194V97.2Very high97.8Very high6 Ų629 Ų294%0.03615%0.151CC..Hα-helixtrans-49.6-53.6-176.5-173.50000112.3V146 K169 Q192 T196 V197 E198V146-V194 HydrophobicContact CG1-CG1 3.99Å; V146-V194 HydrophobicContact CG2-CG1 3.89Å; K169-V194 HydrophobicContact CG-CG2 3.72Å; Q192-V194 PolarHBondContact O-N 3.24Å; V194-T196 VanDerWaalsContact C-N 3.3Å; V194-T196 PolarHBondContact O-N 3.46Å; V194-V197 PolarHBondContact O-N 2.98Å; V194-E198 PolarHBondContact O-N 3.3Å
195D96.4Very high97.7Very high12 Ų1224.4 Ų24.46%0.06412%0.121CC..Hα-helixtrans-57.3-44.4-178.4-51.59.6000111.2L131 E193 E198 I199 C243 S244 G245L131-D195 HydrophobicContact CD1-CB 3.79Å; E193-D195 PolarHBondContact O-N 2.63Å; D195-E198 PolarHBondContact O-N 2.9Å; D195-I199 WeakPolarHBondContact O-CB 3.44Å; D195-I199 VanDerWaalsContact O-CG1 3.31Å; D195-I199 WeakPolarHBondContact O-CG1 3.45Å; D195-I199 PolarHBondContact O-N 3.31Å; D195-C243 HydrophobicContact CB-CB 3.9Å; D195-S244 PolarHBondContact OD2-N 3.47Å; D195-G245 PolarHBondContact OD2-N 3.43Å
196T97.9Very high97.8Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-65.4-43.6-179.1-58.10000111E193 V194 E198 C200 P246 V247 T251 F252E193-T196 PolarHBondContact O-N 2.67Å; E193-T196 VanDerWaalsContact O-N 3.13Å; V194-T196 VanDerWaalsContact C-N 3.3Å; V194-T196 PolarHBondContact O-N 3.46Å; T196-E198 PolarHBondContact O-N 3.06Å; T196-C200 PolarHBondContact O-N 3Å; T196-C200 PolarHBondContact O-SG 2.95Å; T196-P246 PolarHBondContact OG1-O 3.37Å; T196-V247 HydrophobicContact CG2-CG1 4.39Å; T196-T251 HydrophobicContact CG2-CG2 3.81Å; T196-F252 HydrophobicContact CG2-CD2 4.37Å; T196-F252 HydrophobicContact CG2-CE1 4.31Å; T196-F252 HydrophobicContact CG2-CE2 3.65Å; T196-F252 HydrophobicContact CG2-CZ 3.61Å
197V98.6Very high97.8Very high0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-60-47.2176.7175.40000110.4V146 M148 T165 V191 E193 V194 C200 G201 T251 C256V146-V197 HydrophobicContact CG2-CB 3.84Å; V146-V197 HydrophobicContact CG2-CG1 3.68Å; M148-V197 HydrophobicContact CB-CG1 3.81Å; M148-V197 HydrophobicContact CG-CG1 3.84Å; M148-V197 WeakPolarHBondContact CG-O 3.45Å; T165-V197 HydrophobicContact CG2-CG1 4.36Å; T165-V197 HydrophobicContact CG2-CG2 3.9Å; V191-V197 HydrophobicContact CG2-CG2 3.37Å; E193-V197 WeakPolarHBondContact O-CG2 3.48Å; E193-V197 PolarHBondContact O-N 2.71Å; V194-V197 PolarHBondContact O-N 2.98Å; V197-C200 PolarHBondContact O-N 3.2Å; V197-G201 PolarHBondContact O-N 2.99Å; V197-T251 HydrophobicContact CG2-CG2 3.76Å; V197-C256 HydrophobicContact CG1-CB 3.9Å
198E98Very high97.8Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-63.6-47-179-170.1165.5-170.400112.7L131 I132 S133 V146 M148 V194 D195 T196 C200 G201 A202L131-E198 WeakPolarHBondContact CB-OE2 3.16Å; L131-E198 HydrophobicContact CD2-CG 4.42Å; I132-E198 WeakPolarHBondContact CA-OE1 3.38Å; I132-E198 WeakPolarHBondContact CB-OE1 3.45Å; I132-E198 PolarHBondContact N-OE1 2.88Å; S133-E198 WeakPolarHBondContact CB-OE2 3.48Å; S133-E198 PolarHBondContact N-OE1 3.34Å; S133-E198 PolarHBondContact OG-OE2 3.13Å; V146-E198 HydrophobicContact CB-CB 4.44Å; V146-E198 HydrophobicContact CG1-CB 4.08Å; V146-E198 HydrophobicContact CG1-CG 4.21Å; V146-E198 HydrophobicContact CG2-CB 4.23Å; M148-E198 HydrophobicContact CE-CB 4.35Å; M148-E198 HydrophobicContact CE-CG 3.93Å; V194-E198 PolarHBondContact O-N 3.3Å; D195-E198 PolarHBondContact O-N 2.9Å; T196-E198 PolarHBondContact O-N 3.06Å; E198-C200 VanDerWaalsContact C-N 3.28Å; E198-C200 PolarHBondContact O-N 3.22Å; E198-G201 PolarHBondContact O-N 3.22Å; E198-G201 VanDerWaalsContact O-N 3.11Å; E198-A202 PolarHBondContact O-N 2.93Å
199I97.5Very high97.8Very high1 Ų115.7 Ų15.71%0.0058%0.082CC..Hα-helixtrans-58.8-41.2176.7-73.9-177.1000110.9L129 L131 D195 G201 A202 L203 F238 A239 C243L129-I199 HydrophobicContact CD2-CD1 4.17Å; L131-I199 HydrophobicContact CD2-CD1 4.31Å; L131-I199 HydrophobicContact CD2-CG1 3.71Å; D195-I199 WeakPolarHBondContact O-CB 3.44Å; D195-I199 VanDerWaalsContact O-CG1 3.31Å; D195-I199 WeakPolarHBondContact O-CG1 3.45Å; D195-I199 PolarHBondContact O-N 3.31Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 3.03Å; I199-A202 PolarHBondContact O-N 3.35Å; I199-L203 HydrophobicContact CG2-CD1 3.39Å; I199-L203 HydrophobicContact CG2-CG 3.84Å; I199-L203 WeakPolarHBondContact O-CB 3.43Å; I199-L203 WeakPolarHBondContact O-CG 3.42Å; I199-L203 PolarHBondContact O-N 3.35Å; I199-F238 HydrophobicContact CD1-CD1 4.21Å; I199-F238 HydrophobicContact CD1-CE1 4.26Å; I199-F238 HydrophobicContact CG2-CD1 3.96Å; I199-A239 HydrophobicContact CG2-CB 4.26Å; I199-C243 WeakPolarHBondContact CD1-SG 3.39Å
200C98.3Very high97.8Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-59.5-45.2176.6-68.50000111.7T196 V197 E198 A202 K204 M235 F252 C256T196-C200 PolarHBondContact O-N 3Å; T196-C200 PolarHBondContact O-SG 2.95Å; V197-C200 PolarHBondContact O-N 3.2Å; E198-C200 VanDerWaalsContact C-N 3.28Å; E198-C200 PolarHBondContact O-N 3.22Å; C200-A202 VanDerWaalsContact C-N 3.31Å; C200-A202 PolarHBondContact O-N 3.05Å; C200-K204 PolarHBondContact O-N 3.11Å; C200-M235 HydrophobicContact CB-CE 4.01Å; C200-M235 WeakPolarHBondContact O-CE 3.31Å; C200-F252 VanDerWaalsContact SG-CD1 3.58Å; C200-F252 WeakPolarHBondContact SG-CE1 3.22Å; C200-C256 HydrophobicContact CB-CB 4.3Å; C200-C256 WeakPolarHBondContact CB-O 3.38Å
201G97Very high97.8Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-61.3-36.8177.700000113.7K120 V197 E198 I199 K204K120-G201 WeakPolarHBondContact CB-O 3.45Å; V197-G201 PolarHBondContact O-N 2.99Å; E198-G201 PolarHBondContact O-N 3.22Å; E198-G201 VanDerWaalsContact O-N 3.11Å; I199-G201 VanDerWaalsContact C-N 3.32Å; I199-G201 PolarHBondContact O-N 3.03Å; G201-K204 VanDerWaalsContact O-CE 3.23Å; G201-K204 WeakPolarHBondContact O-CE 3.43Å; G201-K204 WeakPolarHBondContact O-CG 3.34Å
202A96.3Very high97.9Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-74.8-56.6178.900000112.6G121 V122 E198 I199 C200 K204 N205G121-A202 WeakPolarHBondContact O-CB 3.42Å; V122-A202 HydrophobicContact CG1-CB 3.74Å; E198-A202 PolarHBondContact O-N 2.93Å; I199-A202 PolarHBondContact O-N 3.35Å; C200-A202 VanDerWaalsContact C-N 3.31Å; C200-A202 PolarHBondContact O-N 3.05Å; A202-K204 VanDerWaalsContact C-N 3.33Å; A202-K204 PolarHBondContact O-N 2.68Å; A202-N205 WeakPolarHBondContact O-CB 3.29Å; A202-N205 PolarHBondContact O-N 2.82Å
203L98.4Very high98Very high0 Ų04 Ų40%02%0.02CC..Hα-helixtrans-67.8-29.4-168.7-64.9-175.3000113.6I199 N205 V206 V207 M235 F238 L306 F322I199-L203 HydrophobicContact CG2-CD1 3.39Å; I199-L203 HydrophobicContact CG2-CG 3.84Å; I199-L203 WeakPolarHBondContact O-CB 3.43Å; I199-L203 WeakPolarHBondContact O-CG 3.42Å; I199-L203 PolarHBondContact O-N 3.35Å; L203-N205 PolarHBondContact O-N 2.52Å; L203-V206 WeakPolarHBondContact O-CB 3.46Å; L203-V206 PolarHBondContact O-N 3.03Å; L203-V207 PolarHBondContact O-N 2.85Å; L203-M235 HydrophobicContact CB-CE 4.45Å; L203-M235 HydrophobicContact CB-CG 3.65Å; L203-M235 HydrophobicContact CB-SD 4.43Å; L203-M235 HydrophobicContact CD1-CB 4.14Å; L203-M235 HydrophobicContact CD1-CG 3.96Å; L203-M235 HydrophobicContact CG-CG 4.5Å; L203-F238 HydrophobicContact CD1-CB 3.77Å; L203-F238 HydrophobicContact CD1-CD1 3.72Å; L203-F238 HydrophobicContact CD1-CG 3.83Å; L203-F238 HydrophobicContact CD2-CD1 4.41Å; L203-F238 HydrophobicContact CD2-CE1 4.5Å; L203-L306 HydrophobicContact CD2-CD1 3.49Å; L203-L306 VanDerWaalsContact CD2-CD1 3.49Å; L203-L306 HydrophobicContact CD2-CD2 3.63Å; L203-L306 HydrophobicContact CD2-CG 4.12Å; L203-F322 HydrophobicContact CB-CZ 4.23Å; L203-F322 HydrophobicContact CD1-CE2 4.08Å; L203-F322 HydrophobicContact CD1-CZ 4.05Å; L203-F322 HydrophobicContact CD2-CE2 4.28Å; L203-F322 HydrophobicContact CD2-CZ 4.46Å
204K98Very high98Very high9 Ų92 Ų24%0.0391%0.011CC..Hα-helixtrans-55.3-30.2177.276-176.6-179.2111.70112.8C200 G201 A202 V206 V207 A208 M235 D260 L261 T264C200-K204 PolarHBondContact O-N 3.11Å; G201-K204 VanDerWaalsContact O-CE 3.23Å; G201-K204 WeakPolarHBondContact O-CE 3.43Å; G201-K204 WeakPolarHBondContact O-CG 3.34Å; A202-K204 VanDerWaalsContact C-N 3.33Å; A202-K204 PolarHBondContact O-N 2.68Å; K204-V206 VanDerWaalsContact C-N 3.28Å; K204-V206 PolarHBondContact O-N 3.26Å; K204-V207 PolarHBondContact O-N 3.19Å; K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 3.17Å; K204-M235 HydrophobicContact CB-CE 4.31Å; K204-D260 HydrophobicContact CD-CB 3.83Å; K204-D260 WeakPolarHBondContact CD-OD1 3.5Å; K204-D260 WeakPolarHBondContact CD-OD2 3.29Å; K204-D260 VanDerWaalsContact CE-OD1 3.31Å; K204-D260 WeakPolarHBondContact CE-OD1 3.28Å; K204-D260 WeakPolarHBondContact CE-OD2 3.48Å; K204-D260 VanDerWaalsContact NZ-CG 3.25Å; K204-D260 IonicContact NZ-OD1 2.72Å; K204-D260 PolarHBondContact NZ-OD1 3.25Å; K204-D260 IonicContact NZ-OD2 3.46Å; K204-D260 PolarHBondContact NZ-OD2 3.37Å; K204-L261 HydrophobicContact CB-CB 4.41Å; K204-L261 HydrophobicContact CB-CD1 3.75Å; K204-T264 PolarHBondContact NZ-OG1 2.93Å
205N97.5Very high98.1Very high11 Ų113.2 Ų3.26%0.0592%0.017CC..Hα-helixtrans-68.3-33.5-177.4-75.8-30.7000110.8K120 A202 L203 V209 N270K120-N205 PolarHBondContact O-ND2 2.79Å; A202-N205 WeakPolarHBondContact O-CB 3.29Å; A202-N205 PolarHBondContact O-N 2.82Å; L203-N205 PolarHBondContact O-N 2.52Å; N205-V209 WeakPolarHBondContact O-CG2 3.23Å; N205-V209 PolarHBondContact O-N 2.85Å; N205-N270 WeakPolarHBondContact CB-ND2 3.33Å; N205-N270 PolarHBondContact OD1-ND2 2.93Å
206V98.6Very high98.2Very high0 Ų03.2 Ų3.20%02%0.02CC..Hα-helixtrans-66.3-49.1172.9-176.10000109.8L203 K204 A208 V209 G210 T302 A303 L306 F322 V325L203-V206 WeakPolarHBondContact O-CB 3.46Å; L203-V206 PolarHBondContact O-N 3.03Å; K204-V206 VanDerWaalsContact C-N 3.28Å; K204-V206 PolarHBondContact O-N 3.26Å; V206-A208 VanDerWaalsContact C-N 3.27Å; V206-A208 PolarHBondContact O-N 3.23Å; V206-V209 WeakPolarHBondContact O-CB 3.37Å; V206-V209 PolarHBondContact O-N 3.19Å; V206-V209 VanDerWaalsContact O-N 3.07Å; V206-G210 PolarHBondContact O-N 3.16Å; V206-T302 HydrophobicContact CG2-CG2 3.61Å; V206-A303 HydrophobicContact CG1-CB 4.05Å; V206-A303 HydrophobicContact CG2-CB 4.3Å; V206-L306 HydrophobicContact CG2-CD1 3.92Å; V206-F322 HydrophobicContact CB-CD1 4.23Å; V206-F322 HydrophobicContact CG1-CB 4.24Å; V206-F322 HydrophobicContact CG1-CD1 3.77Å; V206-F322 HydrophobicContact CG1-CG 4.29Å; V206-V325 HydrophobicContact CG1-CB 3.9Å; V206-V325 HydrophobicContact CG1-CG1 3.91Å; V206-V325 HydrophobicContact CG1-CG2 4.15Å
207V98.8Very high98.2Very high0 Ų05.9 Ų5.90%03%0.034CC..Hα-helixtrans-59.8-39.4177.7-173.50000111.5L203 K204 V209 G210 A211 V227 M235 L261 L321 F322L203-V207 PolarHBondContact O-N 2.85Å; K204-V207 PolarHBondContact O-N 3.19Å; V207-V209 VanDerWaalsContact C-N 3.27Å; V207-V209 PolarHBondContact O-N 3.07Å; V207-G210 WeakPolarHBondContact O-CA 3.44Å; V207-G210 PolarHBondContact O-N 3.4Å; V207-G210 VanDerWaalsContact O-N 3.07Å; V207-A211 PolarHBondContact O-N 2.98Å; V207-V227 HydrophobicContact CG1-CG1 3.94Å; V207-M235 HydrophobicContact CG2-SD 4.27Å; V207-L261 HydrophobicContact CB-CD1 3.63Å; V207-L261 HydrophobicContact CG1-CD1 3.77Å; V207-L261 HydrophobicContact CG2-CD1 3.99Å; V207-L321 HydrophobicContact CG2-CD2 4.35Å; V207-F322 HydrophobicContact CG2-CE1 3.75Å
208A98.7Very high98.2Very high0 Ų08.8 Ų8.80%06%0.064CC..Hα-helixtrans-64.6-29.7178.100000113.3K204 V206 A211 G212 T264 N270 R271K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 3.17Å; V206-A208 VanDerWaalsContact C-N 3.27Å; V206-A208 PolarHBondContact O-N 3.23Å; A208-A211 PolarHBondContact O-N 2.85Å; A208-G212 PolarHBondContact O-N 3.33Å; A208-T264 HydrophobicContact CB-CG2 3.5Å; A208-N270 HydrophobicContact CB-CB 3.95Å; A208-R271 VanDerWaalsContact O-CA 3.25Å; A208-R271 WeakPolarHBondContact O-CA 3.38Å
209V98.7Very high98.1Very high2 Ų211.8 Ų11.81%0.0128%0.077CC..Hα-helixtrans-64.4-48.1169.9172.50000109.9N205 V206 V207 A211 G212 F213 N270 A274 P300 V325N205-V209 WeakPolarHBondContact O-CG2 3.23Å; N205-V209 PolarHBondContact O-N 2.85Å; V206-V209 WeakPolarHBondContact O-CB 3.37Å; V206-V209 PolarHBondContact O-N 3.19Å; V206-V209 VanDerWaalsContact O-N 3.07Å; V207-V209 VanDerWaalsContact C-N 3.27Å; V207-V209 PolarHBondContact O-N 3.07Å; V209-A211 VanDerWaalsContact C-N 3.29Å; V209-A211 PolarHBondContact O-N 2.83Å; V209-G212 WeakPolarHBondContact O-CA 3.37Å; V209-G212 PolarHBondContact O-N 3.13Å; V209-F213 HydrophobicContact CG1-CD1 4.41Å; V209-F213 HydrophobicContact CG1-CD2 4.47Å; V209-F213 HydrophobicContact CG1-CE1 3.66Å; V209-F213 HydrophobicContact CG1-CE2 3.75Å; V209-F213 HydrophobicContact CG1-CZ 3.29Å; V209-F213 WeakPolarHBondContact O-CG 3.34Å; V209-F213 PolarHBondContact O-N 2.72Å; V209-N270 HydrophobicContact CG2-CB 3.94Å; V209-A274 HydrophobicContact CB-CB 4.26Å; V209-A274 HydrophobicContact CG1-CB 3.85Å; V209-A274 VanDerWaalsContact O-CB 3.25Å; V209-A274 WeakPolarHBondContact O-CB 3.09Å; V209-P300 HydrophobicContact CG2-CG 4.27Å; V209-V325 HydrophobicContact CB-CG1 3.87Å; V209-V325 HydrophobicContact CG1-CG1 3.61Å; V209-V325 HydrophobicContact CG1-CG2 4.48Å
210G98.7Very high98.1Very high0 Ų013.8 Ų13.80%010%0.098CC..Hα-helixtrans-56.6-41.3174.200000113V206 V207 G212 F213 C214 F338V206-G210 PolarHBondContact O-N 3.16Å; V207-G210 WeakPolarHBondContact O-CA 3.44Å; V207-G210 PolarHBondContact O-N 3.4Å; V207-G210 VanDerWaalsContact O-N 3.07Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 3.44Å; G210-F213 WeakPolarHBondContact O-CB 3.41Å; G210-F213 PolarHBondContact O-N 2.84Å; G210-C214 PolarHBondContact O-N 3.01Å; G210-F338 VanDerWaalsContact CA-CZ 3.46Å; G210-F338 WeakPolarHBondContact O-CE1 3.37Å
211A98.8Very high98.1Very high0 Ų019 Ų190%013%0.125CC..Hα-helixtrans-64-38.417600000112.1V207 A208 V209 C214 D215 K224 V227 C265V207-A211 PolarHBondContact O-N 2.98Å; A208-A211 PolarHBondContact O-N 2.85Å; V209-A211 VanDerWaalsContact C-N 3.29Å; V209-A211 PolarHBondContact O-N 2.83Å; A211-C214 WeakPolarHBondContact O-CB 3.5Å; A211-C214 PolarHBondContact O-N 2.76Å; A211-D215 PolarHBondContact O-N 2.99Å; A211-K224 HydrophobicContact CB-CG 4.23Å; A211-V227 HydrophobicContact CB-CG1 4.33Å; A211-C265 HydrophobicContact CB-CB 3.75Å
212G98.7Very high98.1Very high0 Ų026 Ų260%016%0.163CC..Hα-helixtrans-66.7-36173.700000113.1A208 V209 G210 C214 D215 G216 R271 E275A208-G212 PolarHBondContact O-N 3.33Å; V209-G212 WeakPolarHBondContact O-CA 3.37Å; V209-G212 PolarHBondContact O-N 3.13Å; G210-G212 VanDerWaalsContact C-N 3.33Å; G210-G212 PolarHBondContact O-N 3.44Å; G212-C214 VanDerWaalsContact C-N 3.29Å; G212-C214 PolarHBondContact O-N 2.84Å; G212-D215 PolarHBondContact O-N 2.84Å; G212-G216 PolarHBondContact O-N 3.46Å; G212-R271 WeakPolarHBondContact CA-O 3.47Å; G212-E275 WeakPolarHBondContact O-CA 3.15Å; G212-E275 PolarHBondContact O-N 3.05Å
213F98.7Very high98.2Very high1 Ų127.5 Ų27.50%0.00417%0.172CC..Hα-helixtrans-58.3-42.3171.9-60.8-25000111.5V209 G210 D215 G216 L217 A274 F277 A278 V325 V328 V335 F338V209-F213 HydrophobicContact CG1-CD1 4.41Å; V209-F213 HydrophobicContact CG1-CD2 4.47Å; V209-F213 HydrophobicContact CG1-CE1 3.66Å; V209-F213 HydrophobicContact CG1-CE2 3.75Å; V209-F213 HydrophobicContact CG1-CZ 3.29Å; V209-F213 WeakPolarHBondContact O-CG 3.34Å; V209-F213 PolarHBondContact O-N 2.72Å; G210-F213 WeakPolarHBondContact O-CB 3.41Å; G210-F213 PolarHBondContact O-N 2.84Å; F213-D215 PolarHBondContact O-N 3.09Å; F213-G216 PolarHBondContact O-N 2.83Å; F213-L217 WeakPolarHBondContact O-CB 3.27Å; F213-L217 VanDerWaalsContact O-CG 3.31Å; F213-L217 WeakPolarHBondContact O-CG 3.03Å; F213-L217 PolarHBondContact O-N 3.07Å; F213-A274 HydrophobicContact CD1-CB 3.87Å; F213-A274 HydrophobicContact CE1-CB 3.88Å; F213-F277 HydrophobicContact CD1-CD1 4.27Å; F213-F277 AromaticContact CE1-CD1 3.66Å; F213-F277 HydrophobicContact CE1-CD1 3.66Å; F213-F277 HydrophobicContact CE1-CE1 4.07Å; F213-A278 HydrophobicContact CD1-CB 4.43Å; F213-V325 HydrophobicContact CE2-CG2 4.3Å; F213-V328 HydrophobicContact CE1-CG1 4.12Å; F213-V328 HydrophobicContact CE2-CB 3.93Å; F213-V328 HydrophobicContact CE2-CG1 3.75Å; F213-V328 HydrophobicContact CE2-CG2 4.35Å; F213-V328 HydrophobicContact CZ-CB 4.04Å; F213-V328 HydrophobicContact CZ-CG1 3.5Å; F213-V328 VanDerWaalsContact CZ-CG1 3.5Å; F213-V335 HydrophobicContact CB-CG2 3.91Å; F213-V335 HydrophobicContact CD1-CG2 3.69Å; F213-V335 HydrophobicContact CD2-CG2 4.18Å; F213-V335 HydrophobicContact CE1-CG2 4.21Å; F213-V335 HydrophobicContact CG-CG2 3.68Å; F213-F338 HydrophobicContact CB-CD1 4.21Å; F213-F338 HydrophobicContact CB-CG 4.47Å; F213-F338 HydrophobicContact CD2-CB 4.45Å; F213-F338 HydrophobicContact CD2-CD1 4.39Å; F213-F338 AromaticContact CD2-CD2 3.91Å; F213-F338 HydrophobicContact CD2-CD2 3.91Å; F213-F338 HydrophobicContact CD2-CE2 4.27Å; F213-F338 AromaticContact CD2-CG 3.99Å; F213-F338 HydrophobicContact CD2-CG 3.99Å; F213-F338 HydrophobicContact CE2-CD2 4.47Å
214C98.4Very high98.2Very high1 Ų127.9 Ų27.91%0.00717%0.174CC..Hα-helixtrans-60.8-44.1174.9-62.80000113G210 A211 G212 G216 L217 G218 F219 V227G210-C214 PolarHBondContact O-N 3.01Å; A211-C214 WeakPolarHBondContact O-CB 3.5Å; A211-C214 PolarHBondContact O-N 2.76Å; G212-C214 VanDerWaalsContact C-N 3.29Å; G212-C214 PolarHBondContact O-N 2.84Å; C214-G216 VanDerWaalsContact C-N 3.29Å; C214-G216 PolarHBondContact O-N 3.08Å; C214-L217 PolarHBondContact O-N 3.47Å; C214-G218 PolarHBondContact O-N 2.86Å; C214-F219 HydrophobicContact CB-CB 4.34Å; C214-F219 HydrophobicContact CB-CD2 4.42Å; C214-F219 PolarHBondContact O-N 2.81Å; C214-F219 VanDerWaalsContact O-N 3.08Å; C214-V227 VanDerWaalsContact SG-CG2 3.52Å
215D98.6Very high98.2Very high30 Ų3029.8 Ų29.816%0.1619%0.192CC..Hα-helixtrans-63.5-37177-66.9-22.2000111.5A211 G212 F213 K224 R271 E275 R279A211-D215 PolarHBondContact O-N 2.99Å; G212-D215 PolarHBondContact O-N 2.84Å; F213-D215 PolarHBondContact O-N 3.09Å; D215-K224 WeakPolarHBondContact OD1-CD 3.34Å; D215-K224 IonicContact OD1-NZ 2.87Å; D215-K224 PolarHBondContact OD1-NZ 2.85Å; D215-K224 IonicContact OD2-NZ 2.8Å; D215-K224 PolarHBondContact OD2-NZ 3.48Å; D215-R271 VanDerWaalsContact OD2-CD 3.31Å; D215-R271 WeakPolarHBondContact OD2-CD 3.35Å; D215-R271 WeakPolarHBondContact OD2-CG 3.44Å; D215-R271 IonicContact OD2-CZ 3.55Å; D215-R271 IonicContact OD2-NE 2.82Å; D215-R271 IonicContact OD2-NH1 2.68Å; D215-R271 PolarHBondContact OD2-NH1 2.88Å; D215-E275 HydrophobicContact CB-CB 4.12Å; D215-E275 HydrophobicContact CB-CG 3.87Å; D215-R279 PolarHBondContact O-NH2 2.85Å
216G98.3Very high98.3Very high13 Ų1330.9 Ų30.913%0.13420%0.202CC..Hα-helixtrans-72.5-37-179.600000113.3G212 F213 C214 R279G212-G216 PolarHBondContact O-N 3.46Å; F213-G216 PolarHBondContact O-N 2.83Å; C214-G216 VanDerWaalsContact C-N 3.29Å; C214-G216 PolarHBondContact O-N 3.08Å; G216-R279 VanDerWaalsContact O-CG 3.28Å; G216-R279 WeakPolarHBondContact O-CG 3.31Å
217L98.3Very high98.3Very high55 Ų5530.9 Ų30.929%0.28820%0.202SC..Hα-helixtrans-86.3-7.3179.1-67.1170.3000113.9F213 C214 F219 A278 V335F213-L217 WeakPolarHBondContact O-CB 3.27Å; F213-L217 VanDerWaalsContact O-CG 3.31Å; F213-L217 WeakPolarHBondContact O-CG 3.03Å; F213-L217 PolarHBondContact O-N 3.07Å; C214-L217 PolarHBondContact O-N 3.47Å; L217-F219 HydrophobicContact CB-CD1 3.94Å; L217-F219 HydrophobicContact CB-CD2 4.22Å; L217-F219 HydrophobicContact CB-CE1 3.8Å; L217-F219 HydrophobicContact CB-CE2 4.07Å; L217-F219 HydrophobicContact CB-CG 4.16Å; L217-F219 HydrophobicContact CB-CZ 3.88Å; L217-F219 HydrophobicContact CD1-CD2 4.29Å; L217-F219 HydrophobicContact CD1-CE1 4.27Å; L217-F219 HydrophobicContact CD1-CE2 3.5Å; L217-F219 HydrophobicContact CD1-CZ 3.51Å; L217-F219 HydrophobicContact CG-CE2 4.45Å; L217-F219 HydrophobicContact CG-CZ 4.28Å; L217-A278 HydrophobicContact CG-CB 4.42Å; L217-V335 HydrophobicContact CD1-CG2 4.22Å; L217-V335 WeakPolarHBondContact CD1-O 3.46Å; L217-V335 HydrophobicContact CD2-CG1 4.25Å
218G97.7Very high98.3Very high62 Ų6231.8 Ų31.864%0.63921%0.207SC*.THydrogen-bonded Turntrans69.930.7-179.900000113.8C214 G220C214-G218 PolarHBondContact O-N 2.86Å; G218-G220 PolarHBondContact O-N 2.74Å
219F97.3Very high98.3Very high63 Ų6337.4 Ų37.428%0.27623%0.228SC..  trans-73.2-10.3179.8-67.7-19.8000114.5C214 L217 T223 I339C214-F219 HydrophobicContact CB-CB 4.34Å; C214-F219 HydrophobicContact CB-CD2 4.42Å; C214-F219 PolarHBondContact O-N 2.81Å; C214-F219 VanDerWaalsContact O-N 3.08Å; L217-F219 HydrophobicContact CB-CD1 3.94Å; L217-F219 HydrophobicContact CB-CD2 4.22Å; L217-F219 HydrophobicContact CB-CE1 3.8Å; L217-F219 HydrophobicContact CB-CE2 4.07Å; L217-F219 HydrophobicContact CB-CG 4.16Å; L217-F219 HydrophobicContact CB-CZ 3.88Å; L217-F219 HydrophobicContact CD1-CD2 4.29Å; L217-F219 HydrophobicContact CD1-CE1 4.27Å; L217-F219 HydrophobicContact CD1-CE2 3.5Å; L217-F219 HydrophobicContact CD1-CZ 3.51Å; L217-F219 HydrophobicContact CG-CE2 4.45Å; L217-F219 HydrophobicContact CG-CZ 4.28Å; F219-T223 HydrophobicContact CB-CG2 3.77Å; F219-T223 HydrophobicContact CD2-CG2 4.05Å; F219-T223 HydrophobicContact CG-CG2 4.31Å; F219-T223 PolarHBondContact O-OG1 3.05Å; F219-I339 HydrophobicContact CD2-CD1 4.03Å; F219-I339 HydrophobicContact CE2-CB 3.74Å; F219-I339 HydrophobicContact CE2-CD1 3.99Å; F219-I339 HydrophobicContact CE2-CG1 4.25Å; F219-I339 HydrophobicContact CZ-CB 3.83Å; F219-I339 HydrophobicContact CZ-CD1 4.49Å; F219-I339 HydrophobicContact CZ-CG1 4.36Å; F219-I339 HydrophobicContact CZ-CG2 4.41Å
220G96.7Very high98.3Very high42 Ų4237.4 Ų37.443%0.43323%0.228SC..Hα-helixtrans80.1171.2175.700000115.2G218 N222 T223 K224G218-G220 PolarHBondContact O-N 2.74Å; G220-N222 PolarHBondContact O-N 3.16Å; G220-T223 PolarHBondContact O-N 2.83Å; G220-K224 PolarHBondContact O-N 3.22Å
221D97.7Very high98.3Very high109 Ų10937.4 Ų37.458%0.58323%0.228SC*.Hα-helixtrans-67.4-32.5-169.2-68.6-39.1000114T223 K224 A225D221-T223 VanDerWaalsContact C-N 3.33Å; D221-T223 PolarHBondContact O-N 3.39Å; D221-K224 PolarHBondContact O-N 3.47Å; D221-A225 WeakPolarHBondContact O-CB 3.23Å; D221-A225 PolarHBondContact O-N 3.19Å
222N98.3Very high98.2Very high149 Ų14939 Ų3980%0.79724%0.236SC*.Hα-helixtrans-62.5-41.9176.2-72.7-12.8000111.5G220 A225 A226G220-N222 PolarHBondContact O-N 3.16Å; N222-A225 PolarHBondContact O-N 2.94Å; N222-A226 PolarHBondContact O-N 2.86Å
223T98Very high98.2Very high31 Ų3141.3 Ų41.319%0.1925%0.248CC..Hα-helixtrans-66.8-42.7177.2-51.50000110.5F219 G220 D221 A225 A226 V227 I339 L342F219-T223 HydrophobicContact CB-CG2 3.77Å; F219-T223 HydrophobicContact CD2-CG2 4.05Å; F219-T223 HydrophobicContact CG-CG2 4.31Å; F219-T223 PolarHBondContact O-OG1 3.05Å; G220-T223 PolarHBondContact O-N 2.83Å; D221-T223 VanDerWaalsContact C-N 3.33Å; D221-T223 PolarHBondContact O-N 3.39Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-A225 PolarHBondContact O-N 2.93Å; T223-A226 WeakPolarHBondContact O-CB 3.44Å; T223-A226 PolarHBondContact O-N 2.98Å; T223-A226 VanDerWaalsContact O-N 3.13Å; T223-V227 PolarHBondContact O-N 2.98Å; T223-I339 HydrophobicContact CG2-CD1 3.86Å; T223-L342 HydrophobicContact CG2-CD1 3.77Å
224K98.5Very high98.2Very high7 Ų741.4 Ų41.43%0.0325%0.248CC..Hα-helixtrans-61.8-40.5175.9-172.7177-172.9160.90112.5A211 D215 G220 D221 A226 V227 I228 C265 Y266A211-K224 HydrophobicContact CB-CG 4.23Å; D215-K224 WeakPolarHBondContact OD1-CD 3.34Å; D215-K224 IonicContact OD1-NZ 2.87Å; D215-K224 PolarHBondContact OD1-NZ 2.85Å; D215-K224 IonicContact OD2-NZ 2.8Å; D215-K224 PolarHBondContact OD2-NZ 3.48Å; G220-K224 PolarHBondContact O-N 3.22Å; D221-K224 PolarHBondContact O-N 3.47Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 2.78Å; K224-V227 WeakPolarHBondContact O-CB 3.49Å; K224-V227 PolarHBondContact O-N 2.8Å; K224-I228 HydrophobicContact CG-CD1 4.39Å; K224-I228 WeakPolarHBondContact O-CG1 3.43Å; K224-I228 PolarHBondContact O-N 2.74Å; K224-C265 WeakPolarHBondContact CE-O 3.45Å; K224-C265 PolarHBondContact NZ-O 3.49Å; K224-C265 VanDerWaalsContact NZ-O 3.09Å; K224-Y266 HydrophobicContact CD-CE1 4.03Å
225A98.4Very high98.2Very high50 Ų5041.3 Ų41.341%0.41325%0.248SC..Hα-helixtrans-62.3-38.1173.900000111.8D221 N222 T223 I228 R229D221-A225 WeakPolarHBondContact O-CB 3.23Å; D221-A225 PolarHBondContact O-N 3.19Å; N222-A225 PolarHBondContact O-N 2.94Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-A225 PolarHBondContact O-N 2.93Å; A225-I228 PolarHBondContact O-N 3.27Å; A225-R229 PolarHBondContact O-N 3.27Å
226A98.3Very high98.1Very high34 Ų3441.7 Ų41.728%0.28125%0.249SC..Hα-helixtrans-63.7-42.5173.300000112.1N222 T223 K224 I228 R229 L230N222-A226 PolarHBondContact O-N 2.86Å; T223-A226 WeakPolarHBondContact O-CB 3.44Å; T223-A226 PolarHBondContact O-N 2.98Å; T223-A226 VanDerWaalsContact O-N 3.13Å; K224-A226 VanDerWaalsContact C-N 3.3Å; K224-A226 PolarHBondContact O-N 2.78Å; A226-I228 VanDerWaalsContact C-N 3.34Å; A226-I228 PolarHBondContact O-N 2.86Å; A226-R229 PolarHBondContact O-N 2.85Å; A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.38Å; A226-L230 PolarHBondContact O-N 3.23Å
227V98.6Very high98.1Very high0 Ų042.3 Ų42.30%025%0.253CS..Hα-helixtrans-57.6-46.4172.9173.30000111.4V207 A211 C214 T223 K224 G231 L321 F338 L342V207-V227 HydrophobicContact CG1-CG1 3.94Å; A211-V227 HydrophobicContact CB-CG1 4.33Å; C214-V227 VanDerWaalsContact SG-CG2 3.52Å; T223-V227 PolarHBondContact O-N 2.98Å; K224-V227 WeakPolarHBondContact O-CB 3.49Å; K224-V227 PolarHBondContact O-N 2.8Å; V227-G231 WeakPolarHBondContact O-CA 3.17Å; V227-G231 PolarHBondContact O-N 3.18Å; V227-L321 HydrophobicContact CG1-CD1 4.2Å; V227-F338 HydrophobicContact CG1-CZ 4.48Å; V227-F338 HydrophobicContact CG2-CE1 3.79Å; V227-F338 HydrophobicContact CG2-CZ 4.18Å; V227-L342 HydrophobicContact CG2-CD1 3.53Å; V227-L342 HydrophobicContact CG2-CD2 3.83Å; V227-L342 HydrophobicContact CG2-CG 4.33Å
228I98.7Very high98Very high19 Ų1939.7 Ų39.710%0.09724%0.239CC..Hα-helixtrans-62.4-47.4179.4-67.7166.9000110.5K224 A225 A226 L232 L261 I262 C265 Y266K224-I228 HydrophobicContact CG-CD1 4.39Å; K224-I228 WeakPolarHBondContact O-CG1 3.43Å; K224-I228 PolarHBondContact O-N 2.74Å; A225-I228 PolarHBondContact O-N 3.27Å; A226-I228 VanDerWaalsContact C-N 3.34Å; A226-I228 PolarHBondContact O-N 2.86Å; I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 PolarHBondContact O-N 3.08Å; I228-L261 HydrophobicContact CG2-CD2 4Å; I228-L261 HydrophobicContact CG2-CG 4.18Å; I228-L261 WeakPolarHBondContact O-CD2 3.28Å; I228-I262 HydrophobicContact CG2-CG1 4.12Å; I228-C265 HydrophobicContact CD1-CB 3.76Å; I228-C265 HydrophobicContact CG1-CB 3.75Å; I228-Y266 HydrophobicContact CD1-CD2 4.43Å; I228-Y266 HydrophobicContact CD1-CE2 3.75Å
229R98.3Very high98Very high118 Ų11836.8 Ų36.845%0.44521%0.209SC..Hα-helixtrans-61.5-54.1178.5176.9-170.6163.7-94.8-2.1111.5A225 A226 G231 L232 M233A225-R229 PolarHBondContact O-N 3.27Å; A226-R229 PolarHBondContact O-N 2.85Å; R229-G231 VanDerWaalsContact C-N 3.3Å; R229-G231 PolarHBondContact O-N 3.44Å; R229-L232 WeakPolarHBondContact O-CB 3.39Å; R229-L232 PolarHBondContact O-N 2.89Å; R229-M233 HydrophobicContact CG-SD 4.39Å; R229-M233 WeakPolarHBondContact O-CG 3.34Å; R229-M233 PolarHBondContact O-N 2.97Å; R229-M233 VanDerWaalsContact O-N 3.08Å
230L98.5Very high97.9Very high1 Ų140.1 Ų40.11%0.00522%0.224CC..Hα-helixtrans-63.6-39.5-177.7-68173.6000110.9A226 L232 M233 E234 L321 L342 H345 E347A226-L230 WeakPolarHBondContact O-CB 3.31Å; A226-L230 VanDerWaalsContact O-CG 3.29Å; A226-L230 WeakPolarHBondContact O-CG 3.38Å; A226-L230 PolarHBondContact O-N 3.23Å; L230-L232 PolarHBondContact O-N 3.27Å; L230-M233 HydrophobicContact CD2-SD 4.47Å; L230-M233 WeakPolarHBondContact O-CB 3.47Å; L230-M233 PolarHBondContact O-N 3.05Å; L230-M233 VanDerWaalsContact O-N 3.11Å; L230-E234 PolarHBondContact O-N 3.08Å; L230-L321 HydrophobicContact CB-CD1 3.97Å; L230-L342 HydrophobicContact CD1-CB 4.47Å; L230-L342 HydrophobicContact CD1-CD2 3.86Å; L230-H345 HydrophobicContact CD1-CB 3.93Å; L230-H345 HydrophobicContact CD2-CB 4.18Å; L230-E347 HydrophobicContact CD2-CB 3.9Å; L230-E347 HydrophobicContact CD2-CG 4.42Å
231G98.6Very high97.9Very high0 Ų041.8 Ų41.80%022%0.222CC..Hα-helixtrans-59.5-43.3173.100000112.5V227 R229 M233 E234 M235V227-G231 WeakPolarHBondContact O-CA 3.17Å; V227-G231 PolarHBondContact O-N 3.18Å; R229-G231 VanDerWaalsContact C-N 3.3Å; R229-G231 PolarHBondContact O-N 3.44Å; G231-M233 VanDerWaalsContact C-N 3.3Å; G231-M233 PolarHBondContact O-N 2.82Å; G231-E234 PolarHBondContact O-N 3.27Å; G231-M235 WeakPolarHBondContact O-CG 3.29Å; G231-M235 PolarHBondContact O-N 2.73Å
232L98.2Very high97.7Very high33 Ų3338.2 Ų38.217%0.17320%0.201CC..Hα-helixtrans-61.6-38.5174.2-176.360.4000112I228 R229 L230 M235 I236 F252 V258 L261I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 PolarHBondContact O-N 3.08Å; R229-L232 WeakPolarHBondContact O-CB 3.39Å; R229-L232 PolarHBondContact O-N 2.89Å; L230-L232 PolarHBondContact O-N 3.27Å; L232-M235 WeakPolarHBondContact O-CB 3.43Å; L232-M235 PolarHBondContact O-N 2.7Å; L232-I236 HydrophobicContact CG-CD1 4.19Å; L232-I236 VanDerWaalsContact O-CG1 3.3Å; L232-I236 WeakPolarHBondContact O-CG1 3.25Å; L232-I236 PolarHBondContact O-N 3.47Å; L232-F252 HydrophobicContact CD1-CB 4.49Å; L232-F252 HydrophobicContact CD1-CD1 4.23Å; L232-V258 HydrophobicContact CD2-CG2 4.45Å; L232-L261 HydrophobicContact CB-CD2 3.7Å; L232-L261 HydrophobicContact CD1-CD2 4.19Å; L232-L261 HydrophobicContact CG-CD2 4.46Å
233M97.8Very high97.5Very high49 Ų4932.1 Ų32.124%0.24117%0.17CC..Hα-helixtrans-66.2-43.4177.3-64-179.979.800111.7R229 L230 G231 M235 I236 A237 E347R229-M233 HydrophobicContact CG-SD 4.39Å; R229-M233 WeakPolarHBondContact O-CG 3.34Å; R229-M233 PolarHBondContact O-N 2.97Å; R229-M233 VanDerWaalsContact O-N 3.08Å; L230-M233 HydrophobicContact CD2-SD 4.47Å; L230-M233 WeakPolarHBondContact O-CB 3.47Å; L230-M233 PolarHBondContact O-N 3.05Å; L230-M233 VanDerWaalsContact O-N 3.11Å; G231-M233 VanDerWaalsContact C-N 3.3Å; G231-M233 PolarHBondContact O-N 2.82Å; M233-M235 VanDerWaalsContact C-N 3.33Å; M233-M235 PolarHBondContact O-N 3.11Å; M233-I236 PolarHBondContact O-N 3.35Å; M233-A237 WeakPolarHBondContact O-CB 3.32Å; M233-A237 PolarHBondContact O-N 2.94Å; M233-E347 HydrophobicContact CE-CB 4.1Å; M233-E347 HydrophobicContact CE-CG 3.65Å; M233-E347 WeakPolarHBondContact CE-OE2 3.33Å; M233-E347 HydrophobicContact SD-CB 4.2Å; M233-E347 HydrophobicContact SD-CG 3.97Å
234E98.2Very high97.1Very high3 Ų335.9 Ų35.91%0.01420%0.198CC..Hα-helixtrans-63.3-38173.2-74.5-165.2-169.900112.1L230 G231 I236 A237 F238 F319 P320 L321 F322 H345L230-E234 PolarHBondContact O-N 3.08Å; G231-E234 PolarHBondContact O-N 3.27Å; E234-I236 PolarHBondContact O-N 2.98Å; E234-A237 PolarHBondContact O-N 2.9Å; E234-F238 VanDerWaalsContact O-CB 3.25Å; E234-F238 WeakPolarHBondContact O-CB 3.26Å; E234-F238 PolarHBondContact O-N 3.37Å; E234-F319 HydrophobicContact CB-CD1 4.08Å; E234-F319 HydrophobicContact CG-CD1 4.24Å; E234-P320 WeakPolarHBondContact OE1-CD 3.46Å; E234-P320 WeakPolarHBondContact OE1-CG 3.47Å; E234-L321 VanDerWaalsContact OE1-CB 3.25Å; E234-L321 WeakPolarHBondContact OE1-CB 3.4Å; E234-L321 PolarHBondContact OE1-N 3.18Å; E234-F322 HydrophobicContact CB-CD2 4.28Å; E234-F322 HydrophobicContact CB-CE1 3.97Å; E234-F322 HydrophobicContact CB-CE2 3.69Å; E234-F322 HydrophobicContact CB-CZ 3.51Å; E234-F322 WeakPolarHBondContact OE2-CD1 3.37Å; E234-F322 WeakPolarHBondContact OE2-CD2 3.28Å; E234-F322 WeakPolarHBondContact OE2-CG 3.12Å; E234-F322 PolarHBondContact OE2-N 3.27Å; E234-H345 IonicContact OE1-CD2 3.93Å; E234-H345 IonicContact OE1-CE1 3.96Å; E234-H345 IonicContact OE1-NE2 3.08Å; E234-H345 PolarHBondContact OE1-NE2 3.48Å; E234-H345 VanDerWaalsContact OE1-NE2 3.08Å
235M98.3Very high96.5Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-59.9-45.2173.4-69.4167.365.700111.9C200 L203 K204 V207 G231 L232 M233 F238 A239 F252 L261 F322C200-M235 HydrophobicContact CB-CE 4.01Å; C200-M235 WeakPolarHBondContact O-CE 3.31Å; L203-M235 HydrophobicContact CB-CE 4.45Å; L203-M235 HydrophobicContact CB-CG 3.65Å; L203-M235 HydrophobicContact CB-SD 4.43Å; L203-M235 HydrophobicContact CD1-CB 4.14Å; L203-M235 HydrophobicContact CD1-CG 3.96Å; L203-M235 HydrophobicContact CG-CG 4.5Å; K204-M235 HydrophobicContact CB-CE 4.31Å; V207-M235 HydrophobicContact CG2-SD 4.27Å; G231-M235 WeakPolarHBondContact O-CG 3.29Å; G231-M235 PolarHBondContact O-N 2.73Å; L232-M235 WeakPolarHBondContact O-CB 3.43Å; L232-M235 PolarHBondContact O-N 2.7Å; M233-M235 VanDerWaalsContact C-N 3.33Å; M233-M235 PolarHBondContact O-N 3.11Å; M235-F238 PolarHBondContact O-N 3.49Å; M235-A239 WeakPolarHBondContact O-CB 3.43Å; M235-A239 PolarHBondContact O-N 3.34Å; M235-F252 HydrophobicContact CB-CE1 4.49Å; M235-L261 HydrophobicContact SD-CD1 3.94Å; M235-L261 HydrophobicContact SD-CD2 3.98Å; M235-L261 HydrophobicContact SD-CG 4.46Å; M235-F322 HydrophobicContact CG-CZ 3.99Å
236I97.7Very high96.1Very high38 Ų3839.1 Ų39.120%0.19522%0.221CC..Hα-helixtrans-64-46177-67.8163.1000110.7L232 M233 E234 F238 A239 K240 F252L232-I236 HydrophobicContact CG-CD1 4.19Å; L232-I236 VanDerWaalsContact O-CG1 3.3Å; L232-I236 WeakPolarHBondContact O-CG1 3.25Å; L232-I236 PolarHBondContact O-N 3.47Å; M233-I236 PolarHBondContact O-N 3.35Å; E234-I236 PolarHBondContact O-N 2.98Å; I236-F238 VanDerWaalsContact C-N 3.3Å; I236-F238 PolarHBondContact O-N 2.82Å; I236-A239 PolarHBondContact O-N 3.41Å; I236-K240 HydrophobicContact CG2-CD 4.19Å; I236-K240 WeakPolarHBondContact O-CG 3.41Å; I236-K240 PolarHBondContact O-N 3.24Å; I236-F252 HydrophobicContact CB-CE1 4.25Å; I236-F252 HydrophobicContact CB-CZ 4.23Å; I236-F252 HydrophobicContact CD1-CD1 4.38Å; I236-F252 HydrophobicContact CD1-CG 4.27Å; I236-F252 HydrophobicContact CG1-CB 4.4Å; I236-F252 HydrophobicContact CG1-CD1 3.47Å; I236-F252 VanDerWaalsContact CG1-CD1 3.47Å; I236-F252 HydrophobicContact CG1-CD2 3.9Å; I236-F252 HydrophobicContact CG1-CE1 3.56Å; I236-F252 HydrophobicContact CG1-CE2 3.99Å; I236-F252 HydrophobicContact CG1-CG 3.64Å; I236-F252 HydrophobicContact CG1-CZ 3.83Å
237A97Very high95.9Very high26 Ų2639.5 Ų39.522%0.21522%0.22CC..Hα-helixtrans-63-38.4178.900000111.8M233 E234 L241 F319M233-A237 WeakPolarHBondContact O-CB 3.32Å; M233-A237 PolarHBondContact O-N 2.94Å; E234-A237 PolarHBondContact O-N 2.9Å; A237-L241 WeakPolarHBondContact O-CG 3.4Å; A237-L241 PolarHBondContact O-N 3.01Å; A237-F319 HydrophobicContact CB-CE1 4Å
238F97.2Very high95.6Very high0 Ų041.5 Ų41.50%023%0.234CC..Hα-helixtrans-66.8-50.8177.5-169.3-86.3000110.7L129 I199 L203 E234 M235 I236 K240 L241 F242 L306 L310 F319 F322L129-F238 HydrophobicContact CD1-CE1 4.37Å; L129-F238 HydrophobicContact CD1-CZ 4.3Å; L129-F238 HydrophobicContact CD2-CE1 3.78Å; L129-F238 HydrophobicContact CD2-CZ 4.18Å; I199-F238 HydrophobicContact CD1-CD1 4.21Å; I199-F238 HydrophobicContact CD1-CE1 4.26Å; I199-F238 HydrophobicContact CG2-CD1 3.96Å; L203-F238 HydrophobicContact CD1-CB 3.77Å; L203-F238 HydrophobicContact CD1-CD1 3.72Å; L203-F238 HydrophobicContact CD1-CG 3.83Å; L203-F238 HydrophobicContact CD2-CD1 4.41Å; L203-F238 HydrophobicContact CD2-CE1 4.5Å; E234-F238 VanDerWaalsContact O-CB 3.25Å; E234-F238 WeakPolarHBondContact O-CB 3.26Å; E234-F238 PolarHBondContact O-N 3.37Å; M235-F238 PolarHBondContact O-N 3.49Å; I236-F238 VanDerWaalsContact C-N 3.3Å; I236-F238 PolarHBondContact O-N 2.82Å; F238-K240 VanDerWaalsContact C-N 3.31Å; F238-K240 PolarHBondContact O-N 3.36Å; F238-L241 PolarHBondContact O-N 2.94Å; F238-F242 HydrophobicContact CD1-CB 4.34Å; F238-F242 AromaticContact CD1-CD2 3.85Å; F238-F242 HydrophobicContact CD1-CD2 3.85Å; F238-F242 HydrophobicContact CD1-CG 4.43Å; F238-F242 AromaticContact CD2-CD2 3.64Å; F238-F242 HydrophobicContact CD2-CD2 3.64Å; F238-F242 AromaticContact CD2-CE2 3.66Å; F238-F242 HydrophobicContact CD2-CE2 3.66Å; F238-F242 HydrophobicContact CE1-CB 4.03Å; F238-F242 AromaticContact CE1-CD2 3.76Å; F238-F242 HydrophobicContact CE1-CD2 3.76Å; F238-F242 HydrophobicContact CE1-CG 4.04Å; F238-F242 AromaticContact CE2-CD2 3.51Å; F238-F242 HydrophobicContact CE2-CD2 3.51Å; F238-F242 AromaticContact CE2-CE2 3.43Å; F238-F242 HydrophobicContact CE2-CE2 3.43Å; F238-F242 VanDerWaalsContact CE2-CE2 3.43Å; F238-F242 HydrophobicContact CE2-CG 4.34Å; F238-F242 HydrophobicContact CE2-CZ 4.2Å; F238-F242 AromaticContact CG-CD2 3.81Å; F238-F242 HydrophobicContact CG-CD2 3.81Å; F238-F242 HydrophobicContact CG-CE2 4.28Å; F238-F242 HydrophobicContact CZ-CB 4.44Å; F238-F242 AromaticContact CZ-CD2 3.57Å; F238-F242 HydrophobicContact CZ-CD2 3.57Å; F238-F242 AromaticContact CZ-CE2 3.91Å; F238-F242 HydrophobicContact CZ-CE2 3.91Å; F238-F242 AromaticContact CZ-CG 3.98Å; F238-F242 HydrophobicContact CZ-CG 3.98Å; F238-F242 VanDerWaalsContact O-CD2 3.31Å; F238-F242 WeakPolarHBondContact O-CD2 3.43Å; F238-F242 PolarHBondContact O-N 3.02Å; F238-L306 HydrophobicContact CD2-CD2 4.24Å; F238-L306 HydrophobicContact CE1-CD2 4.17Å; F238-L306 HydrophobicContact CE2-CD2 3.42Å; F238-L306 VanDerWaalsContact CE2-CD2 3.42Å; F238-L306 HydrophobicContact CZ-CD2 3.38Å; F238-L310 HydrophobicContact CD2-CD2 4.44Å; F238-L310 HydrophobicContact CE2-CD2 4.18Å; F238-F319 HydrophobicContact CB-CE1 3.69Å; F238-F319 HydrophobicContact CB-CZ 4.13Å; F238-F319 HydrophobicContact CD2-CE1 4.07Å; F238-F319 HydrophobicContact CD2-CZ 4.03Å; F238-F319 HydrophobicContact CG-CE1 4.4Å; F238-F322 HydrophobicContact CB-CE2 4.43Å
239A97.3Very high95.3Very high0 Ų044.2 Ų44.20%026%0.255CS..Hα-helixtrans-56.3-44.6177.700000112.1I199 M235 I236 L241 F242 C243 V247 F252I199-A239 HydrophobicContact CG2-CB 4.26Å; M235-A239 WeakPolarHBondContact O-CB 3.43Å; M235-A239 PolarHBondContact O-N 3.34Å; I236-A239 PolarHBondContact O-N 3.41Å; A239-L241 PolarHBondContact O-N 3.49Å; A239-F242 PolarHBondContact O-N 2.98Å; A239-C243 VanDerWaalsContact O-CB 3.24Å; A239-C243 WeakPolarHBondContact O-CB 3.2Å; A239-C243 PolarHBondContact O-N 3.17Å; A239-C243 PolarHBondContact O-SG 3.38Å; A239-C243 VanDerWaalsContact O-SG 3.39Å; A239-V247 HydrophobicContact CB-CG1 4.01Å; A239-V247 HydrophobicContact CB-CG2 4.45Å; A239-F252 HydrophobicContact CB-CE1 4.4Å; A239-F252 HydrophobicContact CB-CZ 3.67Å
240K96.4Very high95.2Very high134 Ų13441.1 Ų41.158%0.58325%0.254SS*.Hα-helixtrans-59.9-26.6176.9-75.5177.5178.4178.90114I236 F238 V247I236-K240 HydrophobicContact CG2-CD 4.19Å; I236-K240 WeakPolarHBondContact O-CG 3.41Å; I236-K240 PolarHBondContact O-N 3.24Å; F238-K240 VanDerWaalsContact C-N 3.31Å; F238-K240 PolarHBondContact O-N 3.36Å; K240-V247 HydrophobicContact CG-CB 4.44Å; K240-V247 HydrophobicContact CG-CG1 4.02Å
241L95.1Very high95.2Very high76 Ų7641.3 Ų41.340%0.39826%0.255SS..Hα-helixtrans-91.1-30.3-179.7-71.8172.3000113A237 F238 A239 L315 K318 F319A237-L241 WeakPolarHBondContact O-CG 3.4Å; A237-L241 PolarHBondContact O-N 3.01Å; F238-L241 PolarHBondContact O-N 2.94Å; A239-L241 PolarHBondContact O-N 3.49Å; L241-L315 HydrophobicContact CD1-CD1 4.01Å; L241-K318 HydrophobicContact CD1-CD 3.93Å; L241-F319 HydrophobicContact CD1-CE2 4.09Å; L241-F319 HydrophobicContact CD1-CZ 3.7Å
242F94.2Very high95.2Very high34 Ų3441.5 Ų41.515%0.14926%0.256CS..Hα-helixtrans-120.4-17.1-166.1-67.2-80.3000115.5L129 F238 A239 I309 L310 K313 L315L129-F242 HydrophobicContact CB-CD1 4.18Å; L129-F242 HydrophobicContact CD2-CB 3.56Å; L129-F242 HydrophobicContact CD2-CD1 4.45Å; L129-F242 HydrophobicContact CD2-CG 4.21Å; F238-F242 HydrophobicContact CD1-CB 4.34Å; F238-F242 AromaticContact CD1-CD2 3.85Å; F238-F242 HydrophobicContact CD1-CD2 3.85Å; F238-F242 HydrophobicContact CD1-CG 4.43Å; F238-F242 AromaticContact CD2-CD2 3.64Å; F238-F242 HydrophobicContact CD2-CD2 3.64Å; F238-F242 AromaticContact CD2-CE2 3.66Å; F238-F242 HydrophobicContact CD2-CE2 3.66Å; F238-F242 HydrophobicContact CE1-CB 4.03Å; F238-F242 AromaticContact CE1-CD2 3.76Å; F238-F242 HydrophobicContact CE1-CD2 3.76Å; F238-F242 HydrophobicContact CE1-CG 4.04Å; F238-F242 AromaticContact CE2-CD2 3.51Å; F238-F242 HydrophobicContact CE2-CD2 3.51Å; F238-F242 AromaticContact CE2-CE2 3.43Å; F238-F242 HydrophobicContact CE2-CE2 3.43Å; F238-F242 VanDerWaalsContact CE2-CE2 3.43Å; F238-F242 HydrophobicContact CE2-CG 4.34Å; F238-F242 HydrophobicContact CE2-CZ 4.2Å; F238-F242 AromaticContact CG-CD2 3.81Å; F238-F242 HydrophobicContact CG-CD2 3.81Å; F238-F242 HydrophobicContact CG-CE2 4.28Å; F238-F242 HydrophobicContact CZ-CB 4.44Å; F238-F242 AromaticContact CZ-CD2 3.57Å; F238-F242 HydrophobicContact CZ-CD2 3.57Å; F238-F242 AromaticContact CZ-CE2 3.91Å; F238-F242 HydrophobicContact CZ-CE2 3.91Å; F238-F242 AromaticContact CZ-CG 3.98Å; F238-F242 HydrophobicContact CZ-CG 3.98Å; F238-F242 VanDerWaalsContact O-CD2 3.31Å; F238-F242 WeakPolarHBondContact O-CD2 3.43Å; F238-F242 PolarHBondContact O-N 3.02Å; A239-F242 PolarHBondContact O-N 2.98Å; F242-I309 HydrophobicContact CD1-CG2 4.34Å; F242-I309 HydrophobicContact CE1-CG2 3.61Å; F242-I309 HydrophobicContact CZ-CG2 3.88Å; F242-L310 HydrophobicContact CE2-CD2 3.9Å; F242-L310 HydrophobicContact CZ-CD2 3.92Å; F242-K313 HydrophobicContact CE1-CG 4.03Å; F242-K313 HydrophobicContact CZ-CG 4.23Å; F242-L315 HydrophobicContact CZ-CD1 4.17Å
243C93.8Very high95.1Very high21 Ų2146.2 Ų46.214%0.14228%0.281CS..  trans-66.8137.6171.2-710000110.3D195 I199 A239 V247D195-C243 HydrophobicContact CB-CB 3.9Å; I199-C243 WeakPolarHBondContact CD1-SG 3.39Å; A239-C243 VanDerWaalsContact O-CB 3.24Å; A239-C243 WeakPolarHBondContact O-CB 3.2Å; A239-C243 PolarHBondContact O-N 3.17Å; A239-C243 PolarHBondContact O-SG 3.38Å; A239-C243 VanDerWaalsContact O-SG 3.39Å; C243-V247 HydrophobicContact CB-CG2 3.54Å
244S89.8Confident95.1Very high110 Ų11046.8 Ų46.877%0.76928%0.283SS*.SBendtrans-82.4-29.4171.3-62.80000111.2D195D195-S244 PolarHBondContact OD2-N 3.47Å
245G86.8Confident95.1Very high31 Ų3147 Ų4732%0.3229%0.285SS..SBendtrans-85.9178176.300000115.1D195D195-G245 PolarHBondContact OD2-N 3.43Å
246P88.4Confident95.1Very high94 Ų9447 Ų4761%0.6129%0.285SS*.  trans-61.6142.4174.126-32.3000111.2E193 T196E193-P246 HydrophobicContact CG-CG 4.34Å; E193-P246 VanDerWaalsContact CG-O 3.29Å; E193-P246 WeakPolarHBondContact CG-O 3.23Å; T196-P246 PolarHBondContact OG1-O 3.37Å
247V94.7Very high95.1Very high43 Ų4345.2 Ų45.226%0.26128%0.275SS..  trans-113.9104176.7-178.30000108.3T196 A239 K240 C243 F252T196-V247 HydrophobicContact CG2-CG1 4.39Å; A239-V247 HydrophobicContact CB-CG1 4.01Å; A239-V247 HydrophobicContact CB-CG2 4.45Å; K240-V247 HydrophobicContact CG-CB 4.44Å; K240-V247 HydrophobicContact CG-CG1 4.02Å; C243-V247 HydrophobicContact CB-CG2 3.54Å; V247-F252 HydrophobicContact CG1-CE2 3.73Å; V247-F252 HydrophobicContact CG1-CZ 4.09Å
248S93.8Very high95.1Very high41 Ų4146 Ų4629%0.28728%0.278SS..  trans-95.3132.2177.7-1800000110.9A250 T251 F252S248-A250 PolarHBondContact O-N 3.49Å; S248-A250 WeakPolarHBondContact OG-CB 3.5Å; S248-A250 PolarHBondContact OG-N 2.96Å; S248-T251 WeakPolarHBondContact O-CB 3.33Å; S248-T251 PolarHBondContact O-N 3.22Å; S248-F252 WeakPolarHBondContact O-CD2 3.35Å
249S92Very high95.2Very high77 Ų7747.4 Ų47.454%0.53829%0.289SS..Hα-helixtrans-60.1-27.2171.3-68.30000112.6T251 F252S249-T251 VanDerWaalsContact C-N 3.3Å; S249-T251 PolarHBondContact O-N 3.47Å; S249-F252 PolarHBondContact O-N 2.91Å
250A96.6Very high95.2Very high53 Ų5347.4 Ų47.444%0.43829%0.289SS..Hα-helixtrans-63.5-36.4177.300000111.9S248 F252 L253 E254S248-A250 PolarHBondContact O-N 3.49Å; S248-A250 WeakPolarHBondContact OG-CB 3.5Å; S248-A250 PolarHBondContact OG-N 2.96Å; A250-F252 PolarHBondContact O-N 3.28Å; A250-L253 WeakPolarHBondContact O-CB 3.46Å; A250-L253 PolarHBondContact O-N 3.32Å; A250-E254 PolarHBondContact O-N 2.92Å
251T97.6Very high95.3Very high4 Ų441 Ų413%0.02526%0.262CS..Hα-helixtrans-61-32.2178.1-48.70000112.2V191 E193 T196 V197 S248 S249 L253 E254 C256V191-T251 HydrophobicContact CG2-CG2 4.31Å; E193-T251 HydrophobicContact CB-CG2 4.45Å; T196-T251 HydrophobicContact CG2-CG2 3.81Å; V197-T251 HydrophobicContact CG2-CG2 3.76Å; S248-T251 WeakPolarHBondContact O-CB 3.33Å; S248-T251 PolarHBondContact O-N 3.22Å; S249-T251 VanDerWaalsContact C-N 3.3Å; S249-T251 PolarHBondContact O-N 3.47Å; T251-L253 VanDerWaalsContact C-N 3.25Å; T251-L253 PolarHBondContact O-N 2.91Å; T251-E254 WeakPolarHBondContact O-CB 3.45Å; T251-E254 PolarHBondContact O-N 3.21Å; T251-C256 PolarHBondContact O-SG 3.42Å
252F98Very high95.5Very high4 Ų440.8 Ų40.82%0.01826%0.26CS..Hα-helixtrans-73.2-17.9176.2-64.8-88.9000113.4T196 C200 L232 M235 I236 A239 V247 S248 S249 A250 G257 V258T196-F252 HydrophobicContact CG2-CD2 4.37Å; T196-F252 HydrophobicContact CG2-CE1 4.31Å; T196-F252 HydrophobicContact CG2-CE2 3.65Å; T196-F252 HydrophobicContact CG2-CZ 3.61Å; C200-F252 VanDerWaalsContact SG-CD1 3.58Å; C200-F252 WeakPolarHBondContact SG-CE1 3.22Å; L232-F252 HydrophobicContact CD1-CB 4.49Å; L232-F252 HydrophobicContact CD1-CD1 4.23Å; M235-F252 HydrophobicContact CB-CE1 4.49Å; I236-F252 HydrophobicContact CB-CE1 4.25Å; I236-F252 HydrophobicContact CB-CZ 4.23Å; I236-F252 HydrophobicContact CD1-CD1 4.38Å; I236-F252 HydrophobicContact CD1-CG 4.27Å; I236-F252 HydrophobicContact CG1-CB 4.4Å; I236-F252 HydrophobicContact CG1-CD1 3.47Å; I236-F252 VanDerWaalsContact CG1-CD1 3.47Å; I236-F252 HydrophobicContact CG1-CD2 3.9Å; I236-F252 HydrophobicContact CG1-CE1 3.56Å; I236-F252 HydrophobicContact CG1-CE2 3.99Å; I236-F252 HydrophobicContact CG1-CG 3.64Å; I236-F252 HydrophobicContact CG1-CZ 3.83Å; A239-F252 HydrophobicContact CB-CE1 4.4Å; A239-F252 HydrophobicContact CB-CZ 3.67Å; V247-F252 HydrophobicContact CG1-CE2 3.73Å; V247-F252 HydrophobicContact CG1-CZ 4.09Å; S248-F252 WeakPolarHBondContact O-CD2 3.35Å; S249-F252 PolarHBondContact O-N 2.91Å; A250-F252 PolarHBondContact O-N 3.28Å; F252-G257 WeakPolarHBondContact O-CA 3.44Å; F252-V258 PolarHBondContact O-N 2.89Å
253L97.5Very high95.6Very high133 Ų13341.2 Ų41.270%0.69627%0.265SS*.Hα-helixtrans-85.9-15.1173.5-58.2178.3000112.3A250 T251A250-L253 WeakPolarHBondContact O-CB 3.46Å; A250-L253 PolarHBondContact O-N 3.32Å; T251-L253 VanDerWaalsContact C-N 3.25Å; T251-L253 PolarHBondContact O-N 2.91Å
254E97.5Very high95.7Very high60 Ų6040.4 Ų40.428%0.2826%0.26SS..SBendtrans-70.6171.2171.7-62.3-65.7156.600111.7T165 T189 V191 A250 T251 C256 G257T165-E254 HydrophobicContact CG2-CB 4.2Å; T165-E254 WeakPolarHBondContact OG1-CB 3.26Å; T189-E254 WeakPolarHBondContact CB-OE2 3.5Å; T189-E254 WeakPolarHBondContact CG2-OE2 3.31Å; T189-E254 PolarHBondContact OG1-OE2 3.17Å; V191-E254 HydrophobicContact CG1-CG 4.44Å; A250-E254 PolarHBondContact O-N 2.92Å; T251-E254 WeakPolarHBondContact O-CB 3.45Å; T251-E254 PolarHBondContact O-N 3.21Å; E254-C256 VanDerWaalsContact C-N 3.26Å; E254-C256 PolarHBondContact O-N 3.37Å; E254-G257 PolarHBondContact O-N 3Å
255S97.6Very high96.1Very high8 Ų835.2 Ų35.26%0.05622%0.223CC..Iπ-helixtrans-55.4-38.2-178.2-179.20000113.4G149 A150 E163 T165 G257 D260G149-S255 WeakPolarHBondContact CA-OG 3.34Å; A150-S255 PolarHBondContact N-OG 2.85Å; A150-S255 VanDerWaalsContact N-OG 3.1Å; E163-S255 WeakPolarHBondContact O-CB 3.49Å; E163-S255 PolarHBondContact O-OG 2.83Å; T165-S255 PolarHBondContact OG1-N 2.83Å; S255-G257 PolarHBondContact O-N 3.43Å; S255-D260 VanDerWaalsContact O-CB 3.25Å; S255-D260 WeakPolarHBondContact O-CB 3.48Å; S255-D260 PolarHBondContact O-N 3.33Å
256C98.2Very high96.6Very high0 Ų039 Ų390%023%0.229CC..Iπ-helixtrans-59.2-31.617963.60000114.6M148 T165 V197 C200 T251 E254M148-C256 HydrophobicContact CB-CB 3.62Å; M148-C256 WeakPolarHBondContact O-CB 3.47Å; T165-C256 PolarHBondContact OG1-N 2.9Å; T165-C256 VanDerWaalsContact OG1-N 3.12Å; V197-C256 HydrophobicContact CG1-CB 3.9Å; C200-C256 HydrophobicContact CB-CB 4.3Å; C200-C256 WeakPolarHBondContact CB-O 3.38Å; T251-C256 PolarHBondContact O-SG 3.42Å; E254-C256 VanDerWaalsContact C-N 3.26Å; E254-C256 PolarHBondContact O-N 3.37Å
257G97.8Very high96.8Very high0 Ų037.1 Ų37.10%023%0.226CC..Iπ-helixtrans-89.5-98.1-17800000111.4F252 E254 S255 A259 L261F252-G257 WeakPolarHBondContact O-CA 3.44Å; E254-G257 PolarHBondContact O-N 3Å; S255-G257 PolarHBondContact O-N 3.43Å; G257-A259 PolarHBondContact O-N 2.94Å; G257-L261 WeakPolarHBondContact O-CB 3.32Å; G257-L261 PolarHBondContact O-N 2.88Å
258V97.7Very high96.7Very high43 Ų4335.2 Ų35.226%0.26122%0.216SC..Iπ-helixtrans-63.4-42.1-170.367.20000113.2L232 F252 I262L232-V258 HydrophobicContact CD2-CG2 4.45Å; F252-V258 PolarHBondContact O-N 2.89Å; V258-I262 HydrophobicContact CG2-CD1 3.83Å; V258-I262 HydrophobicContact CG2-CG1 4.49Å; V258-I262 VanDerWaalsContact O-CG1 3.27Å; V258-I262 WeakPolarHBondContact O-CG1 3.27Å; V258-I262 PolarHBondContact O-N 2.83Å
259A97.7Very high96.6Very high29 Ų2938.3 Ų38.324%0.2422%0.221CC..Iπ-helixtrans-70.5-46.9-175.700000111.7A150 G257 L261 I262 T263A150-A259 HydrophobicContact CB-CB 4.09Å; G257-A259 PolarHBondContact O-N 2.94Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 3.19Å; A259-I262 PolarHBondContact O-N 3Å; A259-T263 WeakPolarHBondContact O-CB 3.39Å; A259-T263 PolarHBondContact O-N 2.87Å; A259-T263 PolarHBondContact O-OG1 3.26Å; A259-T263 VanDerWaalsContact O-OG1 3.12Å
260D98.1Very high96.8Very high1 Ų134.9 Ų34.91%0.00520%0.197CC..Hα-helixtrans-64.4-38178.3-160.64000110.7K120 G149 K204 S255 T264K120-D260 IonicContact NZ-OD1 2.84Å; K120-D260 IonicContact NZ-OD2 3.62Å; K120-D260 PolarHBondContact NZ-OD2 3.46Å; G149-D260 VanDerWaalsContact C-CB 3.46Å; G149-D260 PolarHBondContact N-OD2 3.29Å; G149-D260 VanDerWaalsContact O-OD1 3.06Å; K204-D260 HydrophobicContact CD-CB 3.83Å; K204-D260 WeakPolarHBondContact CD-OD1 3.5Å; K204-D260 WeakPolarHBondContact CD-OD2 3.29Å; K204-D260 VanDerWaalsContact CE-OD1 3.31Å; K204-D260 WeakPolarHBondContact CE-OD1 3.28Å; K204-D260 WeakPolarHBondContact CE-OD2 3.48Å; K204-D260 VanDerWaalsContact NZ-CG 3.25Å; K204-D260 IonicContact NZ-OD1 2.72Å; K204-D260 PolarHBondContact NZ-OD1 3.25Å; K204-D260 IonicContact NZ-OD2 3.46Å; K204-D260 PolarHBondContact NZ-OD2 3.37Å; S255-D260 VanDerWaalsContact O-CB 3.25Å; S255-D260 WeakPolarHBondContact O-CB 3.48Å; S255-D260 PolarHBondContact O-N 3.33Å; D260-T264 VanDerWaalsContact O-CB 3.24Å; D260-T264 WeakPolarHBondContact O-CB 3.37Å; D260-T264 PolarHBondContact O-N 3.25Å; D260-T264 PolarHBondContact O-OG1 2.81Å; D260-T264 PolarHBondContact OD1-OG1 2.91Å
261L98.6Very high96.9Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-59-53.1174.9-178.663.7000111.9K204 V207 I228 L232 M235 G257 A259 T264 C265K204-L261 HydrophobicContact CB-CB 4.41Å; K204-L261 HydrophobicContact CB-CD1 3.75Å; V207-L261 HydrophobicContact CB-CD1 3.63Å; V207-L261 HydrophobicContact CG1-CD1 3.77Å; V207-L261 HydrophobicContact CG2-CD1 3.99Å; I228-L261 HydrophobicContact CG2-CD2 4Å; I228-L261 HydrophobicContact CG2-CG 4.18Å; I228-L261 WeakPolarHBondContact O-CD2 3.28Å; L232-L261 HydrophobicContact CB-CD2 3.7Å; L232-L261 HydrophobicContact CD1-CD2 4.19Å; L232-L261 HydrophobicContact CG-CD2 4.46Å; M235-L261 HydrophobicContact SD-CD1 3.94Å; M235-L261 HydrophobicContact SD-CD2 3.98Å; M235-L261 HydrophobicContact SD-CG 4.46Å; G257-L261 WeakPolarHBondContact O-CB 3.32Å; G257-L261 PolarHBondContact O-N 2.88Å; A259-L261 VanDerWaalsContact C-N 3.29Å; A259-L261 PolarHBondContact O-N 3.19Å; L261-T264 PolarHBondContact O-N 2.73Å; L261-C265 WeakPolarHBondContact O-CB 3.46Å; L261-C265 PolarHBondContact O-N 3.39Å; L261-C265 PolarHBondContact O-SG 2.88Å
262I98.4Very high96.8Very high71 Ų7138.1 Ų38.136%0.36420%0.2SC..Hα-helixtrans-59.1-54.8178.6-69.5168.2000110.1I228 V258 A259 T264 C265 Y266I228-I262 HydrophobicContact CG2-CG1 4.12Å; V258-I262 HydrophobicContact CG2-CD1 3.83Å; V258-I262 HydrophobicContact CG2-CG1 4.49Å; V258-I262 VanDerWaalsContact O-CG1 3.27Å; V258-I262 WeakPolarHBondContact O-CG1 3.27Å; V258-I262 PolarHBondContact O-N 2.83Å; A259-I262 PolarHBondContact O-N 3Å; I262-T264 PolarHBondContact O-N 3.26Å; I262-C265 PolarHBondContact O-N 3.23Å; I262-Y266 HydrophobicContact CG2-CD2 3.96Å; I262-Y266 HydrophobicContact CG2-CE2 4.17Å; I262-Y266 WeakPolarHBondContact O-CD2 3.48Å; I262-Y266 PolarHBondContact O-N 2.77Å; I262-Y266 VanDerWaalsContact O-N 3.09Å
263T97.6Very high96.8Very high43 Ų4338 Ų3826%0.26420%0.199SC..Hα-helixtrans-56.6-38.5-177.9-670000111.7A150 I152 A259 Y266 G267A150-T263 HydrophobicContact CB-CG2 4.26Å; I152-T263 HydrophobicContact CD1-CG2 4.07Å; I152-T263 HydrophobicContact CG1-CG2 3.63Å; A259-T263 WeakPolarHBondContact O-CB 3.39Å; A259-T263 PolarHBondContact O-N 2.87Å; A259-T263 PolarHBondContact O-OG1 3.26Å; A259-T263 VanDerWaalsContact O-OG1 3.12Å; T263-Y266 PolarHBondContact O-N 3.29Å; T263-G267 WeakPolarHBondContact O-CA 3.46Å; T263-G267 PolarHBondContact O-N 3Å
264T96.2Very high96.9Very high4 Ų431.8 Ų31.83%0.02517%0.167CC..Hα-helixtrans-72.8-36.9178.1-51.60000112.4K204 A208 D260 L261 I262 Y266 G268K204-T264 PolarHBondContact NZ-OG1 2.93Å; A208-T264 HydrophobicContact CB-CG2 3.5Å; D260-T264 VanDerWaalsContact O-CB 3.24Å; D260-T264 WeakPolarHBondContact O-CB 3.37Å; D260-T264 PolarHBondContact O-N 3.25Å; D260-T264 PolarHBondContact O-OG1 2.81Å; D260-T264 PolarHBondContact OD1-OG1 2.91Å; L261-T264 PolarHBondContact O-N 2.73Å; I262-T264 PolarHBondContact O-N 3.26Å; T264-Y266 PolarHBondContact O-N 2.79Å; T264-G268 VanDerWaalsContact O-CA 3.22Å; T264-G268 WeakPolarHBondContact O-CA 3.44Å; T264-G268 PolarHBondContact O-N 3.29Å
265C98.3Very high96.9Very high0 Ų030.9 Ų30.90%016%0.163CC..Hα-helixtrans-71.5-13.9177.4-67.30000113.5A211 K224 I228 L261 I262 R271A211-C265 HydrophobicContact CB-CB 3.75Å; K224-C265 WeakPolarHBondContact CE-O 3.45Å; K224-C265 PolarHBondContact NZ-O 3.49Å; K224-C265 VanDerWaalsContact NZ-O 3.09Å; I228-C265 HydrophobicContact CD1-CB 3.76Å; I228-C265 HydrophobicContact CG1-CB 3.75Å; L261-C265 WeakPolarHBondContact O-CB 3.46Å; L261-C265 PolarHBondContact O-N 3.39Å; L261-C265 PolarHBondContact O-SG 2.88Å; I262-C265 PolarHBondContact O-N 3.23Å; C265-R271 WeakPolarHBondContact O-CD 3.49Å; C265-R271 VanDerWaalsContact O-CG 3.26Å; C265-R271 WeakPolarHBondContact O-CG 3.02Å
266Y96.6Very high96.9Very high111 Ų11131.3 Ų31.344%0.43517%0.167SC..Hα-helixtrans-109.9-47.1174.1-75.6-82.8000113.7K224 I228 I262 T263 T264 R271K224-Y266 HydrophobicContact CD-CE1 4.03Å; I228-Y266 HydrophobicContact CD1-CD2 4.43Å; I228-Y266 HydrophobicContact CD1-CE2 3.75Å; I262-Y266 HydrophobicContact CG2-CD2 3.96Å; I262-Y266 HydrophobicContact CG2-CE2 4.17Å; I262-Y266 WeakPolarHBondContact O-CD2 3.48Å; I262-Y266 PolarHBondContact O-N 2.77Å; I262-Y266 VanDerWaalsContact O-N 3.09Å; T263-Y266 PolarHBondContact O-N 3.29Å; T264-Y266 PolarHBondContact O-N 2.79Å; Y266-R271 WeakPolarHBondContact O-CD 3.41Å; Y266-R271 PolarHBondContact O-NE 2.91Å
267G91.3Very high96.9Very high54 Ų5433.1 Ų33.156%0.55718%0.175SC*.Hα-helixtrans-106.5-6.3-174.900000115.2T263T263-G267 WeakPolarHBondContact O-CA 3.46Å; T263-G267 PolarHBondContact O-N 3Å
268G92.8Very high96.9Very high4 Ų434 Ų344%0.04118%0.182CC..  trans-76.4153.7-170.700000115.1T264 N270 R271 K272T264-G268 VanDerWaalsContact O-CA 3.22Å; T264-G268 WeakPolarHBondContact O-CA 3.44Å; T264-G268 PolarHBondContact O-N 3.29Å; G268-N270 VanDerWaalsContact C-N 3.35Å; G268-N270 PolarHBondContact O-N 3.32Å; G268-R271 PolarHBondContact O-N 2.93Å; G268-K272 PolarHBondContact O-N 2.75Å
269R93.2Very high97Very high105 Ų10539.3 Ų39.340%0.39620%0.198SC..Hα-helixtrans-61.3-40.3175.9-64.6174.8-66.9166.99.8112.7R271 K272 V273 L292R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.42Å; R269-K272 PolarHBondContact O-N 3.27Å; R269-V273 PolarHBondContact O-N 3.16Å; R269-L292 HydrophobicContact CB-CD1 4.17Å; R269-L292 HydrophobicContact CB-CD2 3.98Å; R269-L292 HydrophobicContact CG-CD2 3.82Å
270N96.1Very high97Very high5 Ų541.6 Ų41.63%0.02721%0.209CC..Hα-helixtrans-58.2-46.5177.2-71.3-62.1000111N205 A208 V209 G268 A274 Q298 G299N205-N270 WeakPolarHBondContact CB-ND2 3.33Å; N205-N270 PolarHBondContact OD1-ND2 2.93Å; A208-N270 HydrophobicContact CB-CB 3.95Å; V209-N270 HydrophobicContact CG2-CB 3.94Å; G268-N270 VanDerWaalsContact C-N 3.35Å; G268-N270 PolarHBondContact O-N 3.32Å; N270-A274 WeakPolarHBondContact O-CB 3.29Å; N270-A274 PolarHBondContact O-N 3.36Å; N270-Q298 PolarHBondContact OD1-N 3.25Å; N270-G299 PolarHBondContact OD1-N 3.02Å
271R97.5Very high96.8Very high34 Ų3444.7 Ų44.713%0.12824%0.24CC..Hα-helixtrans-60.5-51.4174.4-176.3-141.670.870.3-0.8112.1A208 G212 D215 C265 Y266 G268 R269 V273 A274 E275A208-R271 VanDerWaalsContact O-CA 3.25Å; A208-R271 WeakPolarHBondContact O-CA 3.38Å; G212-R271 WeakPolarHBondContact CA-O 3.47Å; D215-R271 VanDerWaalsContact OD2-CD 3.31Å; D215-R271 WeakPolarHBondContact OD2-CD 3.35Å; D215-R271 WeakPolarHBondContact OD2-CG 3.44Å; D215-R271 IonicContact OD2-CZ 3.55Å; D215-R271 IonicContact OD2-NE 2.82Å; D215-R271 IonicContact OD2-NH1 2.68Å; D215-R271 PolarHBondContact OD2-NH1 2.88Å; C265-R271 WeakPolarHBondContact O-CD 3.49Å; C265-R271 VanDerWaalsContact O-CG 3.26Å; C265-R271 WeakPolarHBondContact O-CG 3.02Å; Y266-R271 WeakPolarHBondContact O-CD 3.41Å; Y266-R271 PolarHBondContact O-NE 2.91Å; G268-R271 PolarHBondContact O-N 2.93Å; R269-R271 VanDerWaalsContact C-N 3.34Å; R269-R271 PolarHBondContact O-N 3.42Å; R271-V273 VanDerWaalsContact C-N 3.35Å; R271-V273 PolarHBondContact O-N 3.33Å; R271-A274 PolarHBondContact O-N 3.13Å; R271-E275 IonicContact CZ-OE2 3.24Å; R271-E275 IonicContact NH1-OE2 3.7Å; R271-E275 PolarHBondContact NH1-OE2 3.31Å; R271-E275 IonicContact NH2-OE2 3.1Å; R271-E275 PolarHBondContact NH2-OE2 3Å; R271-E275 WeakPolarHBondContact O-CB 3.22Å; R271-E275 PolarHBondContact O-N 3.46Å
272K96.9Very high96.6Very high92 Ų9247.9 Ų47.940%0.425%0.254SS..Hα-helixtrans-56-46.2-178.5-176.5-175.2178.7-170.90112.6G268 R269 A276 L291G268-K272 PolarHBondContact O-N 2.75Å; R269-K272 PolarHBondContact O-N 3.27Å; K272-A276 PolarHBondContact O-N 3.3Å; K272-L291 PolarHBondContact NZ-O 3.25Å
273V97.5Very high96.4Very high1 Ų147.4 Ų47.41%0.00626%0.257CS..Hα-helixtrans-75.7-36-179.1164.90000111.6R269 R271 E275 A276 F277 L287 L291 L292 L297R269-V273 PolarHBondContact O-N 3.16Å; R271-V273 VanDerWaalsContact C-N 3.35Å; R271-V273 PolarHBondContact O-N 3.33Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 2.84Å; V273-A276 PolarHBondContact O-N 3.12Å; V273-F277 WeakPolarHBondContact O-CB 3.31Å; V273-F277 PolarHBondContact O-N 3.36Å; V273-L287 HydrophobicContact CG1-CB 3.77Å; V273-L287 HydrophobicContact CG1-CD1 4.23Å; V273-L291 HydrophobicContact CG2-CB 4.35Å; V273-L291 HydrophobicContact CG2-CD1 4.21Å; V273-L292 HydrophobicContact CG2-CD1 3.84Å; V273-L292 HydrophobicContact CG2-CD2 4.3Å; V273-L292 HydrophobicContact CG2-CG 3.92Å; V273-L297 HydrophobicContact CB-CD1 3.75Å; V273-L297 HydrophobicContact CB-CD2 3.83Å; V273-L297 HydrophobicContact CB-CG 4.34Å; V273-L297 HydrophobicContact CG1-CD1 3.72Å; V273-L297 HydrophobicContact CG1-CD2 3.68Å; V273-L297 HydrophobicContact CG1-CG 4.36Å; V273-L297 HydrophobicContact CG2-CD1 3.75Å
274A98.3Very high96.1Very high3 Ų346.9 Ų46.93%0.02525%0.253CS..Hα-helixtrans-65.9-34.7175.300000113V209 F213 N270 R271 F277 A278V209-A274 HydrophobicContact CB-CB 4.26Å; V209-A274 HydrophobicContact CG1-CB 3.85Å; V209-A274 VanDerWaalsContact O-CB 3.25Å; V209-A274 WeakPolarHBondContact O-CB 3.09Å; F213-A274 HydrophobicContact CD1-CB 3.87Å; F213-A274 HydrophobicContact CE1-CB 3.88Å; N270-A274 WeakPolarHBondContact O-CB 3.29Å; N270-A274 PolarHBondContact O-N 3.36Å; R271-A274 PolarHBondContact O-N 3.13Å; A274-F277 PolarHBondContact O-N 3.47Å; A274-A278 WeakPolarHBondContact O-CB 3.32Å; A274-A278 PolarHBondContact O-N 2.88Å
275E98.6Very high95.9Very high40 Ų4051.7 Ų51.719%0.18728%0.275CS..Hα-helixtrans-59.9-50.1169.8177.8-173.9-176.600111.2G212 D215 R271 V273 F277 A278 R279G212-E275 WeakPolarHBondContact O-CA 3.15Å; G212-E275 PolarHBondContact O-N 3.05Å; D215-E275 HydrophobicContact CB-CB 4.12Å; D215-E275 HydrophobicContact CB-CG 3.87Å; R271-E275 IonicContact CZ-OE2 3.24Å; R271-E275 IonicContact NH1-OE2 3.7Å; R271-E275 PolarHBondContact NH1-OE2 3.31Å; R271-E275 IonicContact NH2-OE2 3.1Å; R271-E275 PolarHBondContact NH2-OE2 3Å; R271-E275 WeakPolarHBondContact O-CB 3.22Å; R271-E275 PolarHBondContact O-N 3.46Å; V273-E275 VanDerWaalsContact C-N 3.34Å; V273-E275 PolarHBondContact O-N 2.84Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 2.94Å; E275-A278 PolarHBondContact O-N 3.29Å; E275-R279 WeakPolarHBondContact O-CG 3.4Å; E275-R279 PolarHBondContact O-N 3.09Å; E275-R279 IonicContact OE1-CZ 3.7Å; E275-R279 VanDerWaalsContact OE1-CZ 3.24Å; E275-R279 IonicContact OE1-NE 3.9Å; E275-R279 IonicContact OE1-NH1 3.54Å; E275-R279 IonicContact OE1-NH2 2.77Å; E275-R279 PolarHBondContact OE1-NH2 3.29Å; E275-R279 VanDerWaalsContact OE1-NH2 3.1Å
276A98.3Very high95.7Very high18 Ų1855.4 Ų55.415%0.14929%0.292CS..Hα-helixtrans-64.5-37.8178.900000112.1K272 V273 R279 T280 L287 L291K272-A276 PolarHBondContact O-N 3.3Å; V273-A276 PolarHBondContact O-N 3.12Å; A276-R279 PolarHBondContact O-N 2.94Å; A276-T280 WeakPolarHBondContact O-CB 3.38Å; A276-T280 WeakPolarHBondContact O-CG2 3.29Å; A276-T280 PolarHBondContact O-N 3.45Å; A276-T280 PolarHBondContact O-OG1 3.19Å; A276-L287 HydrophobicContact CB-CD1 4.11Å; A276-L287 HydrophobicContact CB-CD2 3.78Å; A276-L291 HydrophobicContact CB-CD1 3.62Å
277F97.8Very high95.6Very high37 Ų3750.3 Ų50.316%0.16227%0.272CS..Hα-helixtrans-58.2-52.5174.4171.9-93.2000110.7F213 V273 A274 E275 R279 T280 G281 K282 I284 L287 V328 V335F213-F277 HydrophobicContact CD1-CD1 4.27Å; F213-F277 AromaticContact CE1-CD1 3.66Å; F213-F277 HydrophobicContact CE1-CD1 3.66Å; F213-F277 HydrophobicContact CE1-CE1 4.07Å; V273-F277 WeakPolarHBondContact O-CB 3.31Å; V273-F277 PolarHBondContact O-N 3.36Å; A274-F277 PolarHBondContact O-N 3.47Å; E275-F277 VanDerWaalsContact C-N 3.32Å; E275-F277 PolarHBondContact O-N 2.94Å; F277-R279 VanDerWaalsContact C-N 3.28Å; F277-R279 PolarHBondContact O-N 2.95Å; F277-T280 PolarHBondContact O-N 2.87Å; F277-G281 WeakPolarHBondContact O-CA 3.46Å; F277-G281 PolarHBondContact O-N 2.76Å; F277-K282 VanDerWaalsContact CD2-O 3.24Å; F277-K282 WeakPolarHBondContact CD2-O 3.41Å; F277-I284 HydrophobicContact CD2-CG1 4.13Å; F277-L287 VanDerWaalsContact CA-CD1 3.47Å; F277-L287 HydrophobicContact CB-CD1 3.75Å; F277-V328 HydrophobicContact CE1-CG1 3.64Å; F277-V328 HydrophobicContact CZ-CG1 4.24Å; F277-V335 HydrophobicContact CE1-CB 4.33Å; F277-V335 HydrophobicContact CE1-CG2 4.45Å
278A98.2Very high95.6Very high18 Ų1848.5 Ų48.515%0.14925%0.249CC..Hα-helixtrans-64.4-30.9-179.300000113.3F213 L217 A274 E275 V335F213-A278 HydrophobicContact CD1-CB 4.43Å; L217-A278 HydrophobicContact CG-CB 4.42Å; A274-A278 WeakPolarHBondContact O-CB 3.32Å; A274-A278 PolarHBondContact O-N 2.88Å; E275-A278 PolarHBondContact O-N 3.29Å; A278-V335 HydrophobicContact CB-CG1 4.31Å; A278-V335 HydrophobicContact CB-CG2 3.88Å
279R98.2Very high95.4Very high156 Ų15654.7 Ų54.759%0.58928%0.275SS*.Hα-helixtrans-80.6-33.7178.4-72.6-179.1179.5-1659.3114.5D215 G216 E275 A276 F277D215-R279 PolarHBondContact O-NH2 2.85Å; G216-R279 VanDerWaalsContact O-CG 3.28Å; G216-R279 WeakPolarHBondContact O-CG 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.4Å; E275-R279 PolarHBondContact O-N 3.09Å; E275-R279 IonicContact OE1-CZ 3.7Å; E275-R279 VanDerWaalsContact OE1-CZ 3.24Å; E275-R279 IonicContact OE1-NE 3.9Å; E275-R279 IonicContact OE1-NH1 3.54Å; E275-R279 IonicContact OE1-NH2 2.77Å; E275-R279 PolarHBondContact OE1-NH2 3.29Å; E275-R279 VanDerWaalsContact OE1-NH2 3.1Å; A276-R279 PolarHBondContact O-N 2.94Å; F277-R279 VanDerWaalsContact C-N 3.28Å; F277-R279 PolarHBondContact O-N 2.95Å
280T97.4Very high95.4Very high77 Ų7754.3 Ų54.347%0.47228%0.278SS..Hα-helixtrans-112.6-21.5-166.566.40000113.9A276 F277 K282A276-T280 WeakPolarHBondContact O-CB 3.38Å; A276-T280 WeakPolarHBondContact O-CG2 3.29Å; A276-T280 PolarHBondContact O-N 3.45Å; A276-T280 PolarHBondContact O-OG1 3.19Å; F277-T280 PolarHBondContact O-N 2.87Å; T280-K282 PolarHBondContact O-N 3.13Å; T280-K282 WeakPolarHBondContact OG1-CB 3.32Å; T280-K282 WeakPolarHBondContact OG1-CG 3.42Å; T280-K282 PolarHBondContact OG1-N 3.23Å
281G94.4Very high95.2Very high65 Ų6556.9 Ų56.967%0.6729%0.291SS*.  trans67.85.8-171.800000114.5F277F277-G281 WeakPolarHBondContact O-CA 3.46Å; F277-G281 PolarHBondContact O-N 2.76Å
282K95.6Very high94.7Very high67 Ų6755.9 Ų55.929%0.29129%0.289SS..  trans-64151.5173.8-69.3178.8176.2-1660110.5F277 T280 Q286 L287 E290F277-K282 VanDerWaalsContact CD2-O 3.24Å; F277-K282 WeakPolarHBondContact CD2-O 3.41Å; T280-K282 PolarHBondContact O-N 3.13Å; T280-K282 WeakPolarHBondContact OG1-CB 3.32Å; T280-K282 WeakPolarHBondContact OG1-CG 3.42Å; T280-K282 PolarHBondContact OG1-N 3.23Å; K282-Q286 HydrophobicContact CD-CG 4.34Å; K282-L287 HydrophobicContact CB-CD1 4.24Å; K282-L287 HydrophobicContact CB-CD2 4.08Å; K282-L287 HydrophobicContact CB-CG 3.94Å; K282-L287 HydrophobicContact CD-CD2 3.93Å; K282-E290 IonicContact NZ-OE1 3.89Å; K282-E290 PolarHBondContact NZ-OE1 3.21Å; K282-E290 IonicContact NZ-OE2 3.65Å; K282-E290 PolarHBondContact NZ-OE2 3.24Å
283S93.5Very high93.9Very high62 Ų6257.1 Ų57.143%0.43430%0.3SS..  trans-65.5153175.771.80000111.8E285 Q286 L287S283-E285 PolarHBondContact O-N 2.9Å; S283-Q286 PolarHBondContact O-N 2.95Å; S283-Q286 VanDerWaalsContact O-N 3.17Å; S283-Q286 WeakPolarHBondContact OG-CB 3.45Å; S283-Q286 PolarHBondContact OG-N 2.75Å; S283-L287 WeakPolarHBondContact O-CG 3.39Å; S283-L287 PolarHBondContact O-N 3.48Å; S283-L287 VanDerWaalsContact O-N 3.07Å
284I92Very high92.6Very high32 Ų3259.5 Ų59.516%0.16432%0.324CS..Hα-helixtrans-57.2-41.7175.9-66167.1000110.4F277 Q286 L287 E288 L297 P300 C329F277-I284 HydrophobicContact CD2-CG1 4.13Å; I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3.3Å; I284-L287 PolarHBondContact O-N 2.61Å; I284-E288 HydrophobicContact CG2-CG 4.3Å; I284-E288 WeakPolarHBondContact O-CG 3.2Å; I284-E288 PolarHBondContact O-N 2.88Å; I284-L297 HydrophobicContact CG2-CD2 4.36Å; I284-P300 HydrophobicContact CD1-CB 4.03Å; I284-P300 HydrophobicContact CD1-CG 3.81Å; I284-C329 HydrophobicContact CD1-CB 4.15Å
285E91.3Very high91.8Very high105 Ų10561.1 Ų61.149%0.49133%0.331SS..Hα-helixtrans-61.7-40.3178.7-165.9-162.8155.500112.5S283 K289S283-E285 PolarHBondContact O-N 2.9Å; E285-K289 WeakPolarHBondContact O-CG 3.35Å; E285-K289 PolarHBondContact O-N 2.55Å; E285-K289 WeakPolarHBondContact OE1-CE 3.45Å; E285-K289 IonicContact OE1-NZ 3.72Å; E285-K289 PolarHBondContact OE1-NZ 2.81Å
286Q94Very high91.2Very high78 Ų7863.2 Ų63.236%0.36434%0.34SS..Hα-helixtrans-64.6-44.1176.1-179.5174.9-12.500110.7K282 S283 I284 K289 E290K282-Q286 HydrophobicContact CD-CG 4.34Å; S283-Q286 PolarHBondContact O-N 2.95Å; S283-Q286 VanDerWaalsContact O-N 3.17Å; S283-Q286 WeakPolarHBondContact OG-CB 3.45Å; S283-Q286 PolarHBondContact OG-N 2.75Å; I284-Q286 VanDerWaalsContact C-N 3.34Å; I284-Q286 PolarHBondContact O-N 3.3Å; Q286-K289 PolarHBondContact O-N 2.98Å; Q286-E290 HydrophobicContact CG-CG 4.42Å; Q286-E290 VanDerWaalsContact CG-OE1 3.31Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.45Å; Q286-E290 PolarHBondContact NE2-OE1 3.21Å; Q286-E290 WeakPolarHBondContact O-CG 3.46Å; Q286-E290 PolarHBondContact O-N 3.05Å
287L95.5Very high90.7Very high3 Ų362.7 Ų62.72%0.01634%0.335CS..Hα-helixtrans-69.3-32.6-179.8-67.2170.3000113.1V273 A276 F277 K282 S283 I284 K289 E290 L291V273-L287 HydrophobicContact CG1-CB 3.77Å; V273-L287 HydrophobicContact CG1-CD1 4.23Å; A276-L287 HydrophobicContact CB-CD1 4.11Å; A276-L287 HydrophobicContact CB-CD2 3.78Å; F277-L287 VanDerWaalsContact CA-CD1 3.47Å; F277-L287 HydrophobicContact CB-CD1 3.75Å; K282-L287 HydrophobicContact CB-CD1 4.24Å; K282-L287 HydrophobicContact CB-CD2 4.08Å; K282-L287 HydrophobicContact CB-CG 3.94Å; K282-L287 HydrophobicContact CD-CD2 3.93Å; S283-L287 WeakPolarHBondContact O-CG 3.39Å; S283-L287 PolarHBondContact O-N 3.48Å; S283-L287 VanDerWaalsContact O-N 3.07Å; I284-L287 PolarHBondContact O-N 2.61Å; L287-K289 VanDerWaalsContact C-N 3.35Å; L287-E290 PolarHBondContact O-N 2.99Å; L287-L291 HydrophobicContact CB-CD1 4.44Å; L287-L291 HydrophobicContact CD2-CD1 4.08Å; L287-L291 VanDerWaalsContact O-CB 3.23Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 3.08Å
288E90.1Very high90.3Very high16 Ų1661.6 Ų61.68%0.07533%0.33CS..Hα-helixtrans-59.3-45.7170.5-76179.1152.900111.5I284 L292 K296 L297I284-E288 HydrophobicContact CG2-CG 4.3Å; I284-E288 WeakPolarHBondContact O-CG 3.2Å; I284-E288 PolarHBondContact O-N 2.88Å; E288-L292 WeakPolarHBondContact O-CA 3.48Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 3.19Å; E288-K296 WeakPolarHBondContact OE1-CA 3.41Å; E288-K296 WeakPolarHBondContact OE1-CD 3.42Å; E288-K296 WeakPolarHBondContact OE2-CD 3.18Å; E288-K296 IonicContact OE2-NZ 3.66Å; E288-K296 PolarHBondContact OE2-NZ 2.92Å; E288-L297 HydrophobicContact CG-CD1 3.55Å; E288-L297 PolarHBondContact OE1-N 3.28Å
289K89.8Confident90.2Very high135 Ų13560.8 Ų60.859%0.58732%0.323SS*.Hα-helixtrans-64.8-47.7177.8-68.6173.3-171.9167.30111.1E285 Q286 L287E285-K289 WeakPolarHBondContact O-CG 3.35Å; E285-K289 PolarHBondContact O-N 2.55Å; E285-K289 WeakPolarHBondContact OE1-CE 3.45Å; E285-K289 IonicContact OE1-NZ 3.72Å; E285-K289 PolarHBondContact OE1-NZ 2.81Å; Q286-K289 PolarHBondContact O-N 2.98Å; L287-K289 VanDerWaalsContact C-N 3.35Å
290E92.3Very high90Very high96 Ų9653.6 Ų53.645%0.44930%0.296SS..Hα-helixtrans-70.1-39.6-176.4-70.8178.2-170.900113.3K282 Q286 L287K282-E290 IonicContact NZ-OE1 3.89Å; K282-E290 PolarHBondContact NZ-OE1 3.21Å; K282-E290 IonicContact NZ-OE2 3.65Å; K282-E290 PolarHBondContact NZ-OE2 3.24Å; Q286-E290 HydrophobicContact CG-CG 4.42Å; Q286-E290 VanDerWaalsContact CG-OE1 3.31Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.45Å; Q286-E290 PolarHBondContact NE2-OE1 3.21Å; Q286-E290 WeakPolarHBondContact O-CG 3.46Å; Q286-E290 PolarHBondContact O-N 3.05Å; L287-E290 PolarHBondContact O-N 2.99Å
291L92.1Very high89.8Confident60 Ų6052 Ų5231%0.31428%0.284SS..Hα-helixtrans-108.9-19.2-166.5-58.4179.3000114.8K272 V273 A276 L287K272-L291 PolarHBondContact NZ-O 3.25Å; V273-L291 HydrophobicContact CG2-CB 4.35Å; V273-L291 HydrophobicContact CG2-CD1 4.21Å; A276-L291 HydrophobicContact CB-CD1 3.62Å; L287-L291 HydrophobicContact CB-CD1 4.44Å; L287-L291 HydrophobicContact CD2-CD1 4.08Å; L287-L291 VanDerWaalsContact O-CB 3.23Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 WeakPolarHBondContact O-CG 3.44Å; L287-L291 PolarHBondContact O-N 3.08Å
292L86.4Confident89.8Confident13 Ų1349 Ų497%0.06825%0.252CS..Hα-helixtrans-123.27.7-171.2-56.4-175.7000114.2R269 V273 E288 G294 Q295 L297R269-L292 HydrophobicContact CB-CD1 4.17Å; R269-L292 HydrophobicContact CB-CD2 3.98Å; R269-L292 HydrophobicContact CG-CD2 3.82Å; V273-L292 HydrophobicContact CG2-CD1 3.84Å; V273-L292 HydrophobicContact CG2-CD2 4.3Å; V273-L292 HydrophobicContact CG2-CG 3.92Å; E288-L292 WeakPolarHBondContact O-CA 3.48Å; E288-L292 WeakPolarHBondContact O-CB 3.27Å; E288-L292 PolarHBondContact O-N 3.19Å; L292-G294 PolarHBondContact O-N 3.37Å; L292-G294 VanDerWaalsContact O-N 3.17Å; L292-Q295 HydrophobicContact CB-CB 4.07Å; L292-Q295 WeakPolarHBondContact CB-O 3.29Å; L292-Q295 WeakPolarHBondContact CD1-O 3.45Å; L292-Q295 WeakPolarHBondContact O-CB 3.46Å; L292-Q295 WeakPolarHBondContact O-CG 3.34Å; L292-Q295 PolarHBondContact O-N 2.99Å; L292-L297 HydrophobicContact CD1-CD1 3.38Å
293N79.8Confident89.8Confident118 Ų11845.8 Ų45.863%0.63124%0.238SC*.THydrogen-bonded Turntrans49.642179.2-163.228.4000112.7
294G70.8Confident89.9Confident51 Ų5147.3 Ų47.353%0.52623%0.234SC..THydrogen-bonded Turntrans87.1-1.8179.300000116L292L292-G294 PolarHBondContact O-N 3.37Å; L292-G294 VanDerWaalsContact O-N 3.17Å
295Q82.1Confident90Very high36 Ų3646 Ų4617%0.16823%0.228CC..PPolyproline II helixtrans-70.3140.8170.4-56.4170.642.100110.6L292L292-Q295 HydrophobicContact CB-CB 4.07Å; L292-Q295 WeakPolarHBondContact CB-O 3.29Å; L292-Q295 WeakPolarHBondContact CD1-O 3.45Å; L292-Q295 WeakPolarHBondContact O-CB 3.46Å; L292-Q295 WeakPolarHBondContact O-CG 3.34Å; L292-Q295 PolarHBondContact O-N 2.99Å
296K84.7Confident90.2Very high84 Ų8441 Ų4137%0.36521%0.205SC..PPolyproline II helixtrans-87.1146.8-179.1-66.8-62.3-173.5173.20113.2E288E288-K296 WeakPolarHBondContact OE1-CA 3.41Å; E288-K296 WeakPolarHBondContact OE1-CD 3.42Å; E288-K296 WeakPolarHBondContact OE2-CD 3.18Å; E288-K296 IonicContact OE2-NZ 3.66Å; E288-K296 PolarHBondContact OE2-NZ 2.92Å
297L88.5Confident90.3Very high8 Ų839.4 Ų39.44%0.04220%0.195CC..PPolyproline II helixtrans-74.7152.2162.7-88.978.1000109.6V273 I284 E288 L292 P300V273-L297 HydrophobicContact CB-CD1 3.75Å; V273-L297 HydrophobicContact CB-CD2 3.83Å; V273-L297 HydrophobicContact CB-CG 4.34Å; V273-L297 HydrophobicContact CG1-CD1 3.72Å; V273-L297 HydrophobicContact CG1-CD2 3.68Å; V273-L297 HydrophobicContact CG1-CG 4.36Å; V273-L297 HydrophobicContact CG2-CD1 3.75Å; I284-L297 HydrophobicContact CG2-CD2 4.36Å; E288-L297 HydrophobicContact CG-CD1 3.55Å; E288-L297 PolarHBondContact OE1-N 3.28Å; L292-L297 HydrophobicContact CD1-CD1 3.38Å; L297-P300 HydrophobicContact CB-CG 4.36Å; L297-P300 HydrophobicContact CD2-CG 4.06Å
298Q90.5Very high90.3Very high14 Ų1440.3 Ų40.37%0.06520%0.202CC..SBendtrans-114-30176.1-57.5-77.9-99.100110.3H95 N270 E301 T302H95-Q298 PolarHBondContact ND1-OE1 2.97Å; N270-Q298 PolarHBondContact OD1-N 3.25Å; Q298-E301 PolarHBondContact O-N 3.48Å; Q298-T302 WeakPolarHBondContact O-CB 3.49Å; Q298-T302 PolarHBondContact O-N 2.94Å; Q298-T302 PolarHBondContact O-OG1 2.93Å
299G94.9Very high90.5Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-56.3-51.8-175.700000114.4N270 T302 A303N270-G299 PolarHBondContact OD1-N 3.02Å; G299-T302 PolarHBondContact O-N 3.37Å; G299-A303 WeakPolarHBondContact O-CB 3.44Å; G299-A303 PolarHBondContact O-N 3.33Å
300P94.6Very high90.7Very high5 Ų533.1 Ų33.13%0.03217%0.171CC..Hα-helixtrans-60.7-45.7176.9-24.235.4000112.5V209 I284 L297 T302 A303 R304 C329 Y330V209-P300 HydrophobicContact CG2-CG 4.27Å; I284-P300 HydrophobicContact CD1-CB 4.03Å; I284-P300 HydrophobicContact CD1-CG 3.81Å; L297-P300 HydrophobicContact CB-CG 4.36Å; L297-P300 HydrophobicContact CD2-CG 4.06Å; P300-T302 PolarHBondContact O-N 2.84Å; P300-A303 WeakPolarHBondContact O-CB 3.44Å; P300-A303 PolarHBondContact O-N 2.87Å; P300-A303 VanDerWaalsContact O-N 3.11Å; P300-R304 PolarHBondContact O-N 2.95Å; P300-C329 HydrophobicContact CB-CB 4.28Å; P300-Y330 HydrophobicContact CB-CE2 3.94Å; P300-Y330 WeakPolarHBondContact O-CE2 3.48Å
301E92.3Very high90.9Very high45 Ų4533.4 Ų33.421%0.2117%0.172CC..Hα-helixtrans-62.6-44.1179.7-172.9165.4-153.100111.5H95 Q96 Q298 A303 R304 E305H95-E301 IonicContact CE1-OE2 3.66Å; H95-E301 PolarHBondContact CE1-OE2 3.34Å; Q96-E301 PolarHBondContact NE2-OE2 3.42Å; Q298-E301 PolarHBondContact O-N 3.48Å; E301-A303 PolarHBondContact O-N 3.45Å; E301-R304 WeakPolarHBondContact O-CB 3.48Å; E301-R304 PolarHBondContact O-N 3.17Å; E301-E305 WeakPolarHBondContact O-CG 3.41Å; E301-E305 PolarHBondContact O-N 3.41Å
302T94.4Very high90.8Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-60.4-41.5171.3-59.80000111.9V122 V206 Q298 G299 P300 R304 E305 L306V122-T302 HydrophobicContact CG2-CG2 4.23Å; V206-T302 HydrophobicContact CG2-CG2 3.61Å; Q298-T302 WeakPolarHBondContact O-CB 3.49Å; Q298-T302 PolarHBondContact O-N 2.94Å; Q298-T302 PolarHBondContact O-OG1 2.93Å; G299-T302 PolarHBondContact O-N 3.37Å; P300-T302 PolarHBondContact O-N 2.84Å; T302-R304 VanDerWaalsContact C-N 3.28Å; T302-R304 PolarHBondContact O-N 2.82Å; T302-E305 WeakPolarHBondContact CA-OE2 3.39Å; T302-E305 PolarHBondContact O-N 2.86Å; T302-L306 HydrophobicContact CG2-CD1 4.18Å; T302-L306 HydrophobicContact CG2-CG 4.27Å; T302-L306 WeakPolarHBondContact O-CB 3.41Å; T302-L306 WeakPolarHBondContact O-CG 3.33Å; T302-L306 PolarHBondContact O-N 3.2Å
303A96.6Very high91Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-61.5-36.6176.500000112.4V206 G299 P300 E301 Y307 V325V206-A303 HydrophobicContact CG1-CB 4.05Å; V206-A303 HydrophobicContact CG2-CB 4.3Å; G299-A303 WeakPolarHBondContact O-CB 3.44Å; G299-A303 PolarHBondContact O-N 3.33Å; P300-A303 WeakPolarHBondContact O-CB 3.44Å; P300-A303 PolarHBondContact O-N 2.87Å; P300-A303 VanDerWaalsContact O-N 3.11Å; E301-A303 PolarHBondContact O-N 3.45Å; A303-Y307 PolarHBondContact O-N 3.15Å; A303-V325 HydrophobicContact CB-CG1 3.96Å
304R95.1Very high91.7Very high94 Ų9439.6 Ų39.636%0.35521%0.211SC..Hα-helixtrans-66.3-44.1174.4-176.9-169.265.571.55112P300 E301 T302 Y307 S308 Y326 Y330P300-R304 PolarHBondContact O-N 2.95Å; E301-R304 WeakPolarHBondContact O-CB 3.48Å; E301-R304 PolarHBondContact O-N 3.17Å; T302-R304 VanDerWaalsContact C-N 3.28Å; T302-R304 PolarHBondContact O-N 2.82Å; R304-Y307 PolarHBondContact O-N 2.98Å; R304-S308 PolarHBondContact O-N 3.17Å; R304-Y326 HydrophobicContact CB-CD2 4.19Å; R304-Y326 HydrophobicContact CB-CE2 4.12Å; R304-Y326 HydrophobicContact CG-CE2 4.07Å; R304-Y330 HydrophobicContact CB-CD2 4.29Å; R304-Y330 HydrophobicContact CB-CE2 3.94Å
305E94.3Very high92.9Very high6 Ų639.3 Ų39.33%0.02820%0.198CC..Hα-helixtrans-62-44.7175.3-69.2153.5-177.700110.9H95 V122 E301 T302 Y307 S308 I309H95-E305 IonicContact CD2-OE1 3.93Å; H95-E305 IonicContact CE1-OE1 2.7Å; H95-E305 IonicContact NE2-OE1 2.74Å; H95-E305 PolarHBondContact NE2-OE1 2.83Å; H95-E305 IonicContact NE2-OE2 2.83Å; V122-E305 HydrophobicContact CG2-CB 4.02Å; V122-E305 WeakPolarHBondContact CG2-OE2 3.45Å; E301-E305 WeakPolarHBondContact O-CG 3.41Å; E301-E305 PolarHBondContact O-N 3.41Å; T302-E305 WeakPolarHBondContact CA-OE2 3.39Å; T302-E305 PolarHBondContact O-N 2.86Å; E305-Y307 PolarHBondContact O-N 3.25Å; E305-S308 PolarHBondContact O-N 3.5Å; E305-I309 WeakPolarHBondContact O-CD1 3.29Å; E305-I309 VanDerWaalsContact O-CG1 3.25Å; E305-I309 WeakPolarHBondContact O-CG1 3.35Å; E305-I309 PolarHBondContact O-N 2.81Å
306L95.7Very high93.6Very high0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-60.8-42.5176.4-68.7176.4000112.3L203 V206 F238 T302 S308 I309 L310 F322 M323L203-L306 HydrophobicContact CD2-CD1 3.49Å; L203-L306 VanDerWaalsContact CD2-CD1 3.49Å; L203-L306 HydrophobicContact CD2-CD2 3.63Å; L203-L306 HydrophobicContact CD2-CG 4.12Å; V206-L306 HydrophobicContact CG2-CD1 3.92Å; F238-L306 HydrophobicContact CD2-CD2 4.24Å; F238-L306 HydrophobicContact CE1-CD2 4.17Å; F238-L306 HydrophobicContact CE2-CD2 3.42Å; F238-L306 VanDerWaalsContact CE2-CD2 3.42Å; F238-L306 HydrophobicContact CZ-CD2 3.38Å; T302-L306 HydrophobicContact CG2-CD1 4.18Å; T302-L306 HydrophobicContact CG2-CG 4.27Å; T302-L306 WeakPolarHBondContact O-CB 3.41Å; T302-L306 WeakPolarHBondContact O-CG 3.33Å; T302-L306 PolarHBondContact O-N 3.2Å; L306-S308 VanDerWaalsContact C-N 3.33Å; L306-S308 PolarHBondContact O-N 3.49Å; L306-I309 PolarHBondContact O-N 2.96Å; L306-L310 VanDerWaalsContact O-CB 3.25Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 3.44Å; L306-F322 HydrophobicContact CD1-CB 4.33Å; L306-F322 HydrophobicContact CD1-CD2 4Å; L306-F322 HydrophobicContact CD1-CG 4.15Å; L306-M323 HydrophobicContact CB-CE 4.23Å
307Y96.1Very high94Very high43 Ų4342 Ų4217%0.16922%0.218CC..Hα-helixtrans-57.7-48.2176.3173.2-102.1000111.2A303 R304 E305 I309 L310 Q311 M323 Y326A303-Y307 PolarHBondContact O-N 3.15Å; R304-Y307 PolarHBondContact O-N 2.98Å; E305-Y307 PolarHBondContact O-N 3.25Å; Y307-I309 PolarHBondContact O-N 3.33Å; Y307-L310 PolarHBondContact O-N 2.64Å; Y307-Q311 WeakPolarHBondContact O-CB 3.45Å; Y307-Q311 PolarHBondContact O-N 2.78Å; Y307-Q311 PolarHBondContact OH-NE2 2.78Å; Y307-M323 HydrophobicContact CD2-SD 3.74Å; Y307-M323 HydrophobicContact CG-SD 4.45Å; Y307-Y326 HydrophobicContact CD1-CD1 4.22Å; Y307-Y326 AromaticContact CD1-CE1 3.48Å; Y307-Y326 HydrophobicContact CD1-CE1 3.48Å; Y307-Y326 VanDerWaalsContact CD1-CE1 3.48Å; Y307-Y326 HydrophobicContact CD1-CE2 4.03Å; Y307-Y326 AromaticContact CD1-CZ 3.35Å; Y307-Y326 WeakPolarHBondContact CD1-OH 3.34Å; Y307-Y326 AromaticContact CD2-CD1 3.55Å; Y307-Y326 HydrophobicContact CD2-CD1 3.55Å; Y307-Y326 AromaticContact CD2-CE1 3.47Å; Y307-Y326 HydrophobicContact CD2-CE1 3.47Å; Y307-Y326 VanDerWaalsContact CD2-CE1 3.47Å; Y307-Y326 HydrophobicContact CD2-CG 4.35Å; Y307-Y326 AromaticContact CE1-CE1 3.76Å; Y307-Y326 HydrophobicContact CE1-CE1 3.76Å; Y307-Y326 AromaticContact CE1-CZ 3.8Å; Y307-Y326 WeakPolarHBondContact CE1-OH 3.37Å; Y307-Y326 HydrophobicContact CE2-CD1 4.18Å; Y307-Y326 AromaticContact CE2-CE1 3.77Å; Y307-Y326 HydrophobicContact CE2-CE1 3.77Å; Y307-Y326 AromaticContact CG-CD1 3.56Å; Y307-Y326 HydrophobicContact CG-CD1 3.56Å; Y307-Y326 HydrophobicContact CG-CD2 4.28Å; Y307-Y326 AromaticContact CG-CE1 3.3Å; Y307-Y326 HydrophobicContact CG-CE1 3.3Å; Y307-Y326 HydrophobicContact CG-CE2 4.06Å; Y307-Y326 HydrophobicContact CG-CG 4.04Å; Y307-Y326 AromaticContact CG-CZ 3.56Å; Y307-Y326 AromaticContact CZ-CE1 3.88Å
308S94.1Very high94.4Very high23 Ų2346.7 Ų46.716%0.16124%0.238CC..Hα-helixtrans-60.9-48.5179.1-160.60000111.8E124 R304 E305 L306 L310 Q311 H312E124-S308 WeakPolarHBondContact OE1-CB 3.37Å; E124-S308 PolarHBondContact OE1-OG 3.16Å; E124-S308 WeakPolarHBondContact OE2-CB 3.4Å; E124-S308 PolarHBondContact OE2-OG 2.86Å; R304-S308 PolarHBondContact O-N 3.17Å; E305-S308 PolarHBondContact O-N 3.5Å; L306-S308 VanDerWaalsContact C-N 3.33Å; L306-S308 PolarHBondContact O-N 3.49Å; S308-L310 PolarHBondContact O-N 3.11Å; S308-Q311 PolarHBondContact O-N 2.84Å; S308-H312 WeakPolarHBondContact O-CB 3.07Å; S308-H312 PolarHBondContact O-CD2 2.74Å; S308-H312 PolarHBondContact O-N 2.88Å
309I94.5Very high94.7Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-58-46.6177.8-66.8161.7000111.3E124 L129 F242 E305 L306 Y307 K313E124-I309 HydrophobicContact CG-CG1 4.44Å; L129-I309 HydrophobicContact CB-CD1 3.99Å; L129-I309 HydrophobicContact CB-CG2 4.2Å; L129-I309 HydrophobicContact CD1-CD1 3.7Å; L129-I309 HydrophobicContact CG-CD1 4.48Å; F242-I309 HydrophobicContact CD1-CG2 4.34Å; F242-I309 HydrophobicContact CE1-CG2 3.61Å; F242-I309 HydrophobicContact CZ-CG2 3.88Å; E305-I309 WeakPolarHBondContact O-CD1 3.29Å; E305-I309 VanDerWaalsContact O-CG1 3.25Å; E305-I309 WeakPolarHBondContact O-CG1 3.35Å; E305-I309 PolarHBondContact O-N 2.81Å; L306-I309 PolarHBondContact O-N 2.96Å; Y307-I309 PolarHBondContact O-N 3.33Å; I309-K313 WeakPolarHBondContact O-CG 3.35Å; I309-K313 PolarHBondContact O-N 3.37Å
310L95.6Very high94.8Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-72.6-36-177.6-68.2173.1000112.2F238 F242 L306 Y307 S308 K313 G314 L315 V316 F319 M323F238-L310 HydrophobicContact CD2-CD2 4.44Å; F238-L310 HydrophobicContact CE2-CD2 4.18Å; F242-L310 HydrophobicContact CE2-CD2 3.9Å; F242-L310 HydrophobicContact CZ-CD2 3.92Å; L306-L310 VanDerWaalsContact O-CB 3.25Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 3.44Å; Y307-L310 PolarHBondContact O-N 2.64Å; S308-L310 PolarHBondContact O-N 3.11Å; L310-K313 CarbonylContact O-C 3.5Å; L310-K313 PolarHBondContact O-N 3.05Å; L310-G314 PolarHBondContact O-N 3.05Å; L310-L315 HydrophobicContact CD2-CB 3.84Å; L310-L315 PolarHBondContact O-N 3.29Å; L310-V316 HydrophobicContact CB-CG2 4.16Å; L310-F319 HydrophobicContact CD1-CB 3.86Å; L310-F319 HydrophobicContact CD1-CD2 3.55Å; L310-F319 HydrophobicContact CD1-CE2 4.36Å; L310-F319 HydrophobicContact CD1-CG 3.9Å; L310-F319 HydrophobicContact CD2-CD2 3.36Å; L310-F319 HydrophobicContact CD2-CE2 3.34Å; L310-F319 HydrophobicContact CD2-CG 4.37Å; L310-F319 HydrophobicContact CD2-CZ 4.34Å; L310-F319 HydrophobicContact CG-CD2 4.1Å; L310-F319 HydrophobicContact CG-CE2 4.5Å; L310-M323 HydrophobicContact CD1-CE 3.6Å; L310-M323 HydrophobicContact CD1-SD 4.06Å
311Q94.6Very high95Very high102 Ų10247.2 Ų47.248%0.47724%0.243SC..Hα-helixtrans-61.9-47.3173.5-172.7-179.246.500110.3Y307 S308 K313 G314 V316Y307-Q311 WeakPolarHBondContact O-CB 3.45Å; Y307-Q311 PolarHBondContact O-N 2.78Å; Y307-Q311 PolarHBondContact OH-NE2 2.78Å; S308-Q311 PolarHBondContact O-N 2.84Å; Q311-K313 PolarHBondContact O-N 3.05Å; Q311-G314 PolarHBondContact O-N 3.41Å; Q311-G314 VanDerWaalsContact O-N 3.12Å; Q311-V316 HydrophobicContact CB-CG2 4.07Å
312H90.5Very high95.3Very high136 Ų13645.1 Ų45.163%0.6323%0.233SC*.Hα-helixtrans-60.8-27.4176.2-81-59.7000113.7E124 S308E124-H312 IonicContact OE1-CD2 3.92Å; E124-H312 IonicContact OE1-NE2 2.83Å; S308-H312 WeakPolarHBondContact O-CB 3.07Å; S308-H312 PolarHBondContact O-CD2 2.74Å; S308-H312 PolarHBondContact O-N 2.88Å
313K91.7Very high95.5Very high116 Ų11645.3 Ų45.350%0.50423%0.234SC..Hα-helixtrans-95.6-4.2177.7-64.7-68.3-176.8-177.10114.3F242 I309 L310 Q311 L315F242-K313 HydrophobicContact CE1-CG 4.03Å; F242-K313 HydrophobicContact CZ-CG 4.23Å; I309-K313 WeakPolarHBondContact O-CG 3.35Å; I309-K313 PolarHBondContact O-N 3.37Å; L310-K313 CarbonylContact O-C 3.5Å; L310-K313 PolarHBondContact O-N 3.05Å; Q311-K313 PolarHBondContact O-N 3.05Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 HydrophobicContact CB-CB 4.36Å; K313-L315 HydrophobicContact CB-CD1 3.85Å; K313-L315 HydrophobicContact CB-CG 3.94Å; K313-L315 PolarHBondContact O-N 3.22Å
314G94.4Very high95.6Very high68 Ų6845.6 Ų45.670%0.70124%0.236SC*.THydrogen-bonded Turntrans6433.4-173.600000113.3L310 Q311L310-G314 PolarHBondContact O-N 3.05Å; Q311-G314 PolarHBondContact O-N 3.41Å; Q311-G314 VanDerWaalsContact O-N 3.12Å
315L96.1Very high95.7Very high46 Ų4641.1 Ų41.124%0.24122%0.219CC..  trans-116.510.1-174.1-67.6177.9000113.8L241 F242 L310 K313 D317 K318 F319L241-L315 HydrophobicContact CD1-CD1 4.01Å; F242-L315 HydrophobicContact CZ-CD1 4.17Å; L310-L315 HydrophobicContact CD2-CB 3.84Å; L310-L315 PolarHBondContact O-N 3.29Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 HydrophobicContact CB-CB 4.36Å; K313-L315 HydrophobicContact CB-CD1 3.85Å; K313-L315 HydrophobicContact CB-CG 3.94Å; K313-L315 PolarHBondContact O-N 3.22Å; L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 3.48Å; L315-K318 HydrophobicContact CD2-CD 4.34Å; L315-K318 VanDerWaalsContact O-CB 3.3Å; L315-K318 WeakPolarHBondContact O-CB 3.43Å; L315-K318 PolarHBondContact O-N 3.07Å; L315-F319 HydrophobicContact CB-CE2 4.36Å; L315-F319 WeakPolarHBondContact O-CD2 3.39Å
316V95.9Very high95.9Very high29 Ų2942.2 Ų42.218%0.17622%0.223CC..G310 helixtrans-51.6-47.8-176.7175.50000112.1L310 Q311 K318 F319 M323L310-V316 HydrophobicContact CB-CG2 4.16Å; Q311-V316 HydrophobicContact CB-CG2 4.07Å; V316-K318 PolarHBondContact O-N 3.27Å; V316-K318 VanDerWaalsContact O-N 3.12Å; V316-F319 PolarHBondContact O-N 2.95Å; V316-M323 HydrophobicContact CG1-CG 3.8Å; V316-M323 HydrophobicContact CG1-SD 3.93Å; V316-M323 WeakPolarHBondContact O-CG 3.41Å
317D94.2Very high96Very high147 Ų14745.6 Ų45.679%0.78624%0.238SC*.G310 helixtrans-69.7-11.2-175.8-59.7-35.5000113.8L315 F319L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 3.48Å; D317-F319 VanDerWaalsContact C-N 3.34Å
318K95.7Very high96.1Very high107 Ų10743.8 Ų43.847%0.46523%0.232SC..G310 helixtrans-81-14.3178.7-165.6172.6-178.2178.80113.1L241 L315 V316 P320L241-K318 HydrophobicContact CD1-CD 3.93Å; L315-K318 HydrophobicContact CD2-CD 4.34Å; L315-K318 VanDerWaalsContact O-CB 3.3Å; L315-K318 WeakPolarHBondContact O-CB 3.43Å; L315-K318 PolarHBondContact O-N 3.07Å; V316-K318 PolarHBondContact O-N 3.27Å; V316-K318 VanDerWaalsContact O-N 3.12Å; K318-P320 VanDerWaalsContact C-CD 3.42Å
319F97.7Very high96.2Very high0 Ų043.9 Ų43.90%023%0.232CC..  trans-128.657.5-175-58.7-83.6000112.1E234 A237 F238 L241 L310 L315 V316 D317 L321 F322 M323E234-F319 HydrophobicContact CB-CD1 4.08Å; E234-F319 HydrophobicContact CG-CD1 4.24Å; A237-F319 HydrophobicContact CB-CE1 4Å; F238-F319 HydrophobicContact CB-CE1 3.69Å; F238-F319 HydrophobicContact CB-CZ 4.13Å; F238-F319 HydrophobicContact CD2-CE1 4.07Å; F238-F319 HydrophobicContact CD2-CZ 4.03Å; F238-F319 HydrophobicContact CG-CE1 4.4Å; L241-F319 HydrophobicContact CD1-CE2 4.09Å; L241-F319 HydrophobicContact CD1-CZ 3.7Å; L310-F319 HydrophobicContact CD1-CB 3.86Å; L310-F319 HydrophobicContact CD1-CD2 3.55Å; L310-F319 HydrophobicContact CD1-CE2 4.36Å; L310-F319 HydrophobicContact CD1-CG 3.9Å; L310-F319 HydrophobicContact CD2-CD2 3.36Å; L310-F319 HydrophobicContact CD2-CE2 3.34Å; L310-F319 HydrophobicContact CD2-CG 4.37Å; L310-F319 HydrophobicContact CD2-CZ 4.34Å; L310-F319 HydrophobicContact CG-CD2 4.1Å; L310-F319 HydrophobicContact CG-CE2 4.5Å; L315-F319 HydrophobicContact CB-CE2 4.36Å; L315-F319 WeakPolarHBondContact O-CD2 3.39Å; V316-F319 PolarHBondContact O-N 2.95Å; D317-F319 VanDerWaalsContact C-N 3.34Å; F319-L321 VanDerWaalsContact C-N 3.29Å; F319-L321 PolarHBondContact O-N 3.36Å; F319-F322 HydrophobicContact CB-CB 4.26Å; F319-F322 HydrophobicContact CB-CD2 3.94Å; F319-F322 HydrophobicContact CB-CG 4.44Å; F319-F322 AromaticContact CD1-CD2 3.92Å; F319-F322 HydrophobicContact CD1-CD2 3.92Å; F319-F322 AromaticContact CD1-CE2 3.98Å; F319-F322 HydrophobicContact CD1-CE2 3.98Å; F319-F322 HydrophobicContact CG-CD2 4.22Å; F319-F322 PolarHBondContact O-N 3Å; F319-M323 WeakPolarHBondContact O-CB 3.31Å; F319-M323 VanDerWaalsContact O-CG 3.23Å; F319-M323 WeakPolarHBondContact O-CG 3Å; F319-M323 PolarHBondContact O-N 2.96Å
320P97.8Very high96.3Very high30 Ų3048.9 Ų48.920%0.19525%0.252CS..Hα-helixtrans-58.8-33.1-171.625.2-36.6000114.5E234 K318 A324 P346E234-P320 WeakPolarHBondContact OE1-CD 3.46Å; E234-P320 WeakPolarHBondContact OE1-CG 3.47Å; K318-P320 VanDerWaalsContact C-CD 3.42Å; P320-A324 VanDerWaalsContact O-CB 3.22Å; P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 2.71Å; P320-P346 HydrophobicContact CG-CG 4.48Å
321L98.6Very high96.3Very high0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-70.1-49.2178.1-173158000110.7V207 V227 L230 E234 F319 M323 A324 V325 F338 L342V207-L321 HydrophobicContact CG2-CD2 4.35Å; V227-L321 HydrophobicContact CG1-CD1 4.2Å; L230-L321 HydrophobicContact CB-CD1 3.97Å; E234-L321 VanDerWaalsContact OE1-CB 3.25Å; E234-L321 WeakPolarHBondContact OE1-CB 3.4Å; E234-L321 PolarHBondContact OE1-N 3.18Å; F319-L321 VanDerWaalsContact C-N 3.29Å; F319-L321 PolarHBondContact O-N 3.36Å; L321-M323 VanDerWaalsContact C-N 3.27Å; L321-M323 PolarHBondContact O-N 3.05Å; L321-A324 PolarHBondContact O-N 3.41Å; L321-V325 PolarHBondContact O-N 3.03Å; L321-V325 VanDerWaalsContact O-N 3.11Å; L321-F338 HydrophobicContact CG-CZ 4.42Å; L321-L342 HydrophobicContact CD1-CD2 4.13Å
322F98.4Very high96.2Very high0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-58.9-41.6175.1-61.9-18.9000111.5L203 V206 V207 E234 M235 F238 L306 F319 V325 Y326L203-F322 HydrophobicContact CB-CZ 4.23Å; L203-F322 HydrophobicContact CD1-CE2 4.08Å; L203-F322 HydrophobicContact CD1-CZ 4.05Å; L203-F322 HydrophobicContact CD2-CE2 4.28Å; L203-F322 HydrophobicContact CD2-CZ 4.46Å; V206-F322 HydrophobicContact CB-CD1 4.23Å; V206-F322 HydrophobicContact CG1-CB 4.24Å; V206-F322 HydrophobicContact CG1-CD1 3.77Å; V206-F322 HydrophobicContact CG1-CG 4.29Å; V207-F322 HydrophobicContact CG2-CE1 3.75Å; E234-F322 HydrophobicContact CB-CD2 4.28Å; E234-F322 HydrophobicContact CB-CE1 3.97Å; E234-F322 HydrophobicContact CB-CE2 3.69Å; E234-F322 HydrophobicContact CB-CZ 3.51Å; E234-F322 WeakPolarHBondContact OE2-CD1 3.37Å; E234-F322 WeakPolarHBondContact OE2-CD2 3.28Å; E234-F322 WeakPolarHBondContact OE2-CG 3.12Å; E234-F322 PolarHBondContact OE2-N 3.27Å; M235-F322 HydrophobicContact CG-CZ 3.99Å; F238-F322 HydrophobicContact CB-CE2 4.43Å; L306-F322 HydrophobicContact CD1-CB 4.33Å; L306-F322 HydrophobicContact CD1-CD2 4Å; L306-F322 HydrophobicContact CD1-CG 4.15Å; F319-F322 HydrophobicContact CB-CB 4.26Å; F319-F322 HydrophobicContact CB-CD2 3.94Å; F319-F322 HydrophobicContact CB-CG 4.44Å; F319-F322 AromaticContact CD1-CD2 3.92Å; F319-F322 HydrophobicContact CD1-CD2 3.92Å; F319-F322 AromaticContact CD1-CE2 3.98Å; F319-F322 HydrophobicContact CD1-CE2 3.98Å; F319-F322 HydrophobicContact CG-CD2 4.22Å; F319-F322 PolarHBondContact O-N 3Å; F322-V325 PolarHBondContact O-N 3.1Å; F322-Y326 PolarHBondContact O-N 2.95Å; F322-Y326 VanDerWaalsContact O-N 3.07Å
323M97.9Very high96.5Very high4 Ų448 Ų482%0.0227%0.265CS..Hα-helixtrans-71.1-34.8179.9-63-5689.100112.6L306 Y307 L310 V316 F319 L321 V325 Y326 K327L306-M323 HydrophobicContact CB-CE 4.23Å; Y307-M323 HydrophobicContact CD2-SD 3.74Å; Y307-M323 HydrophobicContact CG-SD 4.45Å; L310-M323 HydrophobicContact CD1-CE 3.6Å; L310-M323 HydrophobicContact CD1-SD 4.06Å; V316-M323 HydrophobicContact CG1-CG 3.8Å; V316-M323 HydrophobicContact CG1-SD 3.93Å; V316-M323 WeakPolarHBondContact O-CG 3.41Å; F319-M323 WeakPolarHBondContact O-CB 3.31Å; F319-M323 VanDerWaalsContact O-CG 3.23Å; F319-M323 WeakPolarHBondContact O-CG 3Å; F319-M323 PolarHBondContact O-N 2.96Å; L321-M323 VanDerWaalsContact C-N 3.27Å; L321-M323 PolarHBondContact O-N 3.05Å; M323-V325 VanDerWaalsContact C-N 3.31Å; M323-V325 PolarHBondContact O-N 2.95Å; M323-Y326 WeakPolarHBondContact O-CB 3.24Å; M323-Y326 PolarHBondContact O-N 3Å; M323-K327 WeakPolarHBondContact O-CB 3.45Å; M323-K327 VanDerWaalsContact O-CG 3.24Å; M323-K327 WeakPolarHBondContact O-CG 3.24Å; M323-K327 PolarHBondContact O-N 2.84Å
324A98.4Very high96.7Very high7 Ų746 Ų466%0.05826%0.264CS..Hα-helixtrans-62.9-39.6173.100000111.5P320 L321 K327 V328 F338 C341P320-A324 VanDerWaalsContact O-CB 3.22Å; P320-A324 WeakPolarHBondContact O-CB 3.44Å; P320-A324 PolarHBondContact O-N 2.71Å; L321-A324 PolarHBondContact O-N 3.41Å; A324-K327 PolarHBondContact O-N 2.76Å; A324-V328 WeakPolarHBondContact O-CB 3.35Å; A324-V328 VanDerWaalsContact O-CG2 3.29Å; A324-V328 WeakPolarHBondContact O-CG2 3.31Å; A324-V328 PolarHBondContact O-N 3.32Å; A324-F338 HydrophobicContact CB-CD2 3.8Å; A324-F338 HydrophobicContact CB-CE2 4.04Å; A324-C341 HydrophobicContact CB-CB 3.82Å
325V98.6Very high96.9Very high0 Ų044.1 Ų44.10%024%0.238CC..Hα-helixtrans-61.7-46.8173.3172.80000111.1V206 V209 F213 A303 L321 F322 M323 K327 V328 C329 F338V206-V325 HydrophobicContact CG1-CB 3.9Å; V206-V325 HydrophobicContact CG1-CG1 3.91Å; V206-V325 HydrophobicContact CG1-CG2 4.15Å; V209-V325 HydrophobicContact CB-CG1 3.87Å; V209-V325 HydrophobicContact CG1-CG1 3.61Å; V209-V325 HydrophobicContact CG1-CG2 4.48Å; F213-V325 HydrophobicContact CE2-CG2 4.3Å; A303-V325 HydrophobicContact CB-CG1 3.96Å; L321-V325 PolarHBondContact O-N 3.03Å; L321-V325 VanDerWaalsContact O-N 3.11Å; F322-V325 PolarHBondContact O-N 3.1Å; M323-V325 VanDerWaalsContact C-N 3.31Å; M323-V325 PolarHBondContact O-N 2.95Å; V325-K327 PolarHBondContact O-N 2.75Å; V325-V328 PolarHBondContact O-N 2.89Å; V325-C329 WeakPolarHBondContact O-CB 3.44Å; V325-C329 PolarHBondContact O-N 3.2Å; V325-C329 PolarHBondContact O-SG 3.04Å; V325-C329 VanDerWaalsContact O-SG 3.34Å; V325-F338 HydrophobicContact CG2-CE2 4.08Å
326Y98Very high96.9Very high28 Ų2843.6 Ų43.611%0.1125%0.245CC..Hα-helixtrans-56.6-51.3176.2169.5-105.9000112.2R304 Y307 F322 M323 V328 C329 Y330 E331R304-Y326 HydrophobicContact CB-CD2 4.19Å; R304-Y326 HydrophobicContact CB-CE2 4.12Å; R304-Y326 HydrophobicContact CG-CE2 4.07Å; Y307-Y326 HydrophobicContact CD1-CD1 4.22Å; Y307-Y326 AromaticContact CD1-CE1 3.48Å; Y307-Y326 HydrophobicContact CD1-CE1 3.48Å; Y307-Y326 VanDerWaalsContact CD1-CE1 3.48Å; Y307-Y326 HydrophobicContact CD1-CE2 4.03Å; Y307-Y326 AromaticContact CD1-CZ 3.35Å; Y307-Y326 WeakPolarHBondContact CD1-OH 3.34Å; Y307-Y326 AromaticContact CD2-CD1 3.55Å; Y307-Y326 HydrophobicContact CD2-CD1 3.55Å; Y307-Y326 AromaticContact CD2-CE1 3.47Å; Y307-Y326 HydrophobicContact CD2-CE1 3.47Å; Y307-Y326 VanDerWaalsContact CD2-CE1 3.47Å; Y307-Y326 HydrophobicContact CD2-CG 4.35Å; Y307-Y326 AromaticContact CE1-CE1 3.76Å; Y307-Y326 HydrophobicContact CE1-CE1 3.76Å; Y307-Y326 AromaticContact CE1-CZ 3.8Å; Y307-Y326 WeakPolarHBondContact CE1-OH 3.37Å; Y307-Y326 HydrophobicContact CE2-CD1 4.18Å; Y307-Y326 AromaticContact CE2-CE1 3.77Å; Y307-Y326 HydrophobicContact CE2-CE1 3.77Å; Y307-Y326 AromaticContact CG-CD1 3.56Å; Y307-Y326 HydrophobicContact CG-CD1 3.56Å; Y307-Y326 HydrophobicContact CG-CD2 4.28Å; Y307-Y326 AromaticContact CG-CE1 3.3Å; Y307-Y326 HydrophobicContact CG-CE1 3.3Å; Y307-Y326 HydrophobicContact CG-CE2 4.06Å; Y307-Y326 HydrophobicContact CG-CG 4.04Å; Y307-Y326 AromaticContact CG-CZ 3.56Å; Y307-Y326 AromaticContact CZ-CE1 3.88Å; F322-Y326 PolarHBondContact O-N 2.95Å; F322-Y326 VanDerWaalsContact O-N 3.07Å; M323-Y326 WeakPolarHBondContact O-CB 3.24Å; M323-Y326 PolarHBondContact O-N 3Å; Y326-V328 PolarHBondContact O-N 2.84Å; Y326-C329 PolarHBondContact O-N 3.43Å; Y326-C329 VanDerWaalsContact O-N 3.16Å; Y326-Y330 AromaticContact CD2-CD2 3.78Å; Y326-Y330 HydrophobicContact CD2-CD2 3.78Å; Y326-Y330 HydrophobicContact CD2-CG 4.29Å; Y326-Y330 HydrophobicContact CE2-CD2 4.01Å; Y326-Y330 HydrophobicContact CE2-CG 4.07Å; Y326-Y330 PolarHBondContact O-N 2.99Å; Y326-E331 HydrophobicContact CE1-CG 3.83Å; Y326-E331 WeakPolarHBondContact CE1-OE1 3.04Å
327K98.2Very high96.9Very high72 Ų7246.1 Ų46.131%0.31326%0.255SS..Hα-helixtrans-62.5-41.3-176.6-71175.9178.3178.40112.7M323 A324 V325 E331 G332 Q333M323-K327 WeakPolarHBondContact O-CB 3.45Å; M323-K327 VanDerWaalsContact O-CG 3.24Å; M323-K327 WeakPolarHBondContact O-CG 3.24Å; M323-K327 PolarHBondContact O-N 2.84Å; A324-K327 PolarHBondContact O-N 2.76Å; V325-K327 PolarHBondContact O-N 2.75Å; K327-E331 HydrophobicContact CB-CB 4.49Å; K327-E331 WeakPolarHBondContact CG-OE2 3.48Å; K327-E331 CarbonylContact O-C 3.56Å; K327-E331 WeakPolarHBondContact O-CA 3.47Å; K327-E331 PolarHBondContact O-N 2.83Å; K327-G332 PolarHBondContact O-N 2.87Å; K327-G332 VanDerWaalsContact O-N 3.15Å; K327-Q333 HydrophobicContact CB-CB 3.87Å; K327-Q333 PolarHBondContact O-N 3.44Å; K327-Q333 VanDerWaalsContact O-N 3.13Å
328V97.9Very high97Very high5 Ų539.2 Ų39.23%0.0322%0.217CC..Hα-helixtrans-65.8-40.5175.4172.10000111.2F213 F277 A324 V325 Y326 Q333 V335F213-V328 HydrophobicContact CE1-CG1 4.12Å; F213-V328 HydrophobicContact CE2-CB 3.93Å; F213-V328 HydrophobicContact CE2-CG1 3.75Å; F213-V328 HydrophobicContact CE2-CG2 4.35Å; F213-V328 HydrophobicContact CZ-CB 4.04Å; F213-V328 HydrophobicContact CZ-CG1 3.5Å; F213-V328 VanDerWaalsContact CZ-CG1 3.5Å; F277-V328 HydrophobicContact CE1-CG1 3.64Å; F277-V328 HydrophobicContact CZ-CG1 4.24Å; A324-V328 WeakPolarHBondContact O-CB 3.35Å; A324-V328 VanDerWaalsContact O-CG2 3.29Å; A324-V328 WeakPolarHBondContact O-CG2 3.31Å; A324-V328 PolarHBondContact O-N 3.32Å; V325-V328 PolarHBondContact O-N 2.89Å; Y326-V328 PolarHBondContact O-N 2.84Å; V328-Q333 HydrophobicContact CG2-CB 4.22Å; V328-Q333 HydrophobicContact CG2-CG 4.46Å; V328-V335 HydrophobicContact CG1-CB 3.86Å; V328-V335 HydrophobicContact CG1-CG2 3.98Å
329C96.2Very high97.1Very high24 Ų2435.7 Ų35.716%0.16220%0.203CC..Hα-helixtrans-77.6-31.7-177.5-70.40000114.4I284 P300 V325 Y326I284-C329 HydrophobicContact CD1-CB 4.15Å; P300-C329 HydrophobicContact CB-CB 4.28Å; V325-C329 WeakPolarHBondContact O-CB 3.44Å; V325-C329 PolarHBondContact O-N 3.2Å; V325-C329 PolarHBondContact O-SG 3.04Å; V325-C329 VanDerWaalsContact O-SG 3.34Å; Y326-C329 PolarHBondContact O-N 3.43Å; Y326-C329 VanDerWaalsContact O-N 3.16Å
330Y95.9Very high96.9Very high106 Ų10640.2 Ų40.242%0.41622%0.224SC..Hα-helixtrans-128-24.1-168.7-68.1-82.7000115.6P300 R304 Y326P300-Y330 HydrophobicContact CB-CE2 3.94Å; P300-Y330 WeakPolarHBondContact O-CE2 3.48Å; R304-Y330 HydrophobicContact CB-CD2 4.29Å; R304-Y330 HydrophobicContact CB-CE2 3.94Å; Y326-Y330 AromaticContact CD2-CD2 3.78Å; Y326-Y330 HydrophobicContact CD2-CD2 3.78Å; Y326-Y330 HydrophobicContact CD2-CG 4.29Å; Y326-Y330 HydrophobicContact CE2-CD2 4.01Å; Y326-Y330 HydrophobicContact CE2-CG 4.07Å; Y326-Y330 PolarHBondContact O-N 2.99Å
331E95.7Very high96.8Very high103 Ų10339.6 Ų39.648%0.48122%0.221SC..SBendtrans-1053.8-179.1-59.5-165.8155.400113.1Y326 K327 Q333Y326-E331 HydrophobicContact CE1-CG 3.83Å; Y326-E331 WeakPolarHBondContact CE1-OE1 3.04Å; K327-E331 HydrophobicContact CB-CB 4.49Å; K327-E331 WeakPolarHBondContact CG-OE2 3.48Å; K327-E331 CarbonylContact O-C 3.56Å; K327-E331 WeakPolarHBondContact O-CA 3.47Å; K327-E331 PolarHBondContact O-N 2.83Å; E331-Q333 VanDerWaalsContact C-N 3.25Å; E331-Q333 PolarHBondContact O-N 3.45Å
332G92.4Very high96.6Very high64 Ų6440.1 Ų40.166%0.6622%0.223SC*.  trans70.719.5177.900000113.9K327K327-G332 PolarHBondContact O-N 2.87Å; K327-G332 VanDerWaalsContact O-N 3.15Å
333Q96.4Very high96.5Very high51 Ų5145.7 Ų45.724%0.23825%0.249CC..  trans-59.3131.2172.9-174.2175.22.500109.4K327 V328 E331 V335 E337K327-Q333 HydrophobicContact CB-CB 3.87Å; K327-Q333 PolarHBondContact O-N 3.44Å; K327-Q333 VanDerWaalsContact O-N 3.13Å; V328-Q333 HydrophobicContact CG2-CB 4.22Å; V328-Q333 HydrophobicContact CG2-CG 4.46Å; E331-Q333 VanDerWaalsContact C-N 3.25Å; E331-Q333 PolarHBondContact O-N 3.45Å; Q333-V335 PolarHBondContact O-N 3.39Å; Q333-E337 HydrophobicContact CG-CB 4.37Å; Q333-E337 WeakPolarHBondContact CG-OE2 3.32Å; Q333-E337 PolarHBondContact NE2-OE2 2.81Å
334P96.9Very high96.3Very high76 Ų7650.8 Ų50.849%0.49428%0.277SS..  trans-57.6126.1178-23.733.1000110.9G336 E337P334-G336 PolarHBondContact O-N 2.87Å; P334-E337 HydrophobicContact CB-CG 4.24Å; P334-E337 WeakPolarHBondContact O-CB 3.32Å; P334-E337 PolarHBondContact O-N 3.36Å
335V97.3Very high96.2Very high27 Ų2750.7 Ų50.716%0.16428%0.275CS..G310 helixtrans-57.2-29.1-177.563.90000113F213 L217 F277 A278 V328 Q333 E337 F338F213-V335 HydrophobicContact CB-CG2 3.91Å; F213-V335 HydrophobicContact CD1-CG2 3.69Å; F213-V335 HydrophobicContact CD2-CG2 4.18Å; F213-V335 HydrophobicContact CE1-CG2 4.21Å; F213-V335 HydrophobicContact CG-CG2 3.68Å; L217-V335 HydrophobicContact CD1-CG2 4.22Å; L217-V335 WeakPolarHBondContact CD1-O 3.46Å; L217-V335 HydrophobicContact CD2-CG1 4.25Å; F277-V335 HydrophobicContact CE1-CB 4.33Å; F277-V335 HydrophobicContact CE1-CG2 4.45Å; A278-V335 HydrophobicContact CB-CG1 4.31Å; A278-V335 HydrophobicContact CB-CG2 3.88Å; V328-V335 HydrophobicContact CG1-CB 3.86Å; V328-V335 HydrophobicContact CG1-CG2 3.98Å; Q333-V335 PolarHBondContact O-N 3.39Å; V335-E337 PolarHBondContact O-N 2.91Å; V335-F338 WeakPolarHBondContact O-CB 3.48Å; V335-F338 PolarHBondContact O-N 3.44Å; V335-F338 VanDerWaalsContact O-N 3.08Å
336G96.2Very high95.9Very high36 Ų3653.5 Ų53.537%0.37129%0.293SS..G310 helixtrans-60.4-26.4174.500000114.2P334 F338 I339P334-G336 PolarHBondContact O-N 2.87Å; G336-F338 PolarHBondContact O-N 3.38Å; G336-I339 WeakPolarHBondContact O-CG2 3.31Å
337E96.1Very high95.5Very high82 Ų8256.5 Ų56.538%0.38331%0.308SS..G310 helixtrans-76.4-9.8177.3-65.7-176.5-179.600113.2Q333 P334 V335 I339 H340Q333-E337 HydrophobicContact CG-CB 4.37Å; Q333-E337 WeakPolarHBondContact CG-OE2 3.32Å; Q333-E337 PolarHBondContact NE2-OE2 2.81Å; P334-E337 HydrophobicContact CB-CG 4.24Å; P334-E337 WeakPolarHBondContact O-CB 3.32Å; P334-E337 PolarHBondContact O-N 3.36Å; V335-E337 PolarHBondContact O-N 2.91Å; E337-I339 PolarHBondContact O-N 2.85Å; E337-H340 WeakPolarHBondContact O-CB 3.41Å; E337-H340 PolarHBondContact O-N 3.33Å
338F97.1Very high94.9Very high1 Ų158.2 Ų58.20%0.00432%0.317CS..Hα-helixtrans-53.5-31.4176.3-179.7-105000112G210 F213 V227 L321 A324 V325 V335 G336 H340 C341 L342G210-F338 VanDerWaalsContact CA-CZ 3.46Å; G210-F338 WeakPolarHBondContact O-CE1 3.37Å; F213-F338 HydrophobicContact CB-CD1 4.21Å; F213-F338 HydrophobicContact CB-CG 4.47Å; F213-F338 HydrophobicContact CD2-CB 4.45Å; F213-F338 HydrophobicContact CD2-CD1 4.39Å; F213-F338 AromaticContact CD2-CD2 3.91Å; F213-F338 HydrophobicContact CD2-CD2 3.91Å; F213-F338 HydrophobicContact CD2-CE2 4.27Å; F213-F338 AromaticContact CD2-CG 3.99Å; F213-F338 HydrophobicContact CD2-CG 3.99Å; F213-F338 HydrophobicContact CE2-CD2 4.47Å; V227-F338 HydrophobicContact CG1-CZ 4.48Å; V227-F338 HydrophobicContact CG2-CE1 3.79Å; V227-F338 HydrophobicContact CG2-CZ 4.18Å; L321-F338 HydrophobicContact CG-CZ 4.42Å; A324-F338 HydrophobicContact CB-CD2 3.8Å; A324-F338 HydrophobicContact CB-CE2 4.04Å; V325-F338 HydrophobicContact CG2-CE2 4.08Å; V335-F338 WeakPolarHBondContact O-CB 3.48Å; V335-F338 PolarHBondContact O-N 3.44Å; V335-F338 VanDerWaalsContact O-N 3.08Å; G336-F338 PolarHBondContact O-N 3.38Å; F338-H340 PolarHBondContact O-N 3.01Å; F338-C341 PolarHBondContact O-N 3.1Å; F338-C341 PolarHBondContact O-SG 3.2Å; F338-L342 HydrophobicContact CE1-CD1 4.13Å; F338-L342 HydrophobicContact CE1-CG 4.46Å
339I96.9Very high93.7Very high33 Ų3368 Ų6817%0.16937%0.365CS..Hα-helixtrans-58.3-30.1176.8-164.960.3000113.3F219 T223 G336 E337 C341 L342 Q343F219-I339 HydrophobicContact CD2-CD1 4.03Å; F219-I339 HydrophobicContact CE2-CB 3.74Å; F219-I339 HydrophobicContact CE2-CD1 3.99Å; F219-I339 HydrophobicContact CE2-CG1 4.25Å; F219-I339 HydrophobicContact CZ-CB 3.83Å; F219-I339 HydrophobicContact CZ-CD1 4.49Å; F219-I339 HydrophobicContact CZ-CG1 4.36Å; F219-I339 HydrophobicContact CZ-CG2 4.41Å; T223-I339 HydrophobicContact CG2-CD1 3.86Å; G336-I339 WeakPolarHBondContact O-CG2 3.31Å; E337-I339 PolarHBondContact O-N 2.85Å; I339-C341 VanDerWaalsContact C-N 3.32Å; I339-C341 PolarHBondContact O-N 2.77Å; I339-L342 HydrophobicContact CD1-CD1 4.24Å; I339-L342 PolarHBondContact O-N 3.11Å; I339-Q343 HydrophobicContact CG1-CG 4.24Å; I339-Q343 WeakPolarHBondContact O-CG 3.34Å; I339-Q343 PolarHBondContact O-N 2.99Å
340H95.3Very high93.6Very high96 Ų9670.2 Ų70.244%0.44438%0.375SS..Hα-helixtrans-69.7-28.9-177.2-64.6-46.5000112.7E337 F338 L342 Q343 N344E337-H340 WeakPolarHBondContact O-CB 3.41Å; E337-H340 PolarHBondContact O-N 3.33Å; F338-H340 PolarHBondContact O-N 3.01Å; H340-L342 VanDerWaalsContact C-N 3.28Å; H340-L342 PolarHBondContact O-N 3.32Å; H340-Q343 PolarHBondContact ND1-OE1 2.85Å; H340-N344 WeakPolarHBondContact O-CB 3.43Å; H340-N344 PolarHBondContact O-N 3.37Å; H340-N344 VanDerWaalsContact O-N 3.08Å; H340-N344 PolarHBondContact O-ND2 2.85Å
341C94.2Very high93.5Very high17 Ų1768.3 Ų68.312%0.11537%0.373CS..Hα-helixtrans-68.3-32.4174.981.50000111.3A324 F338 I339 H345A324-C341 HydrophobicContact CB-CB 3.82Å; F338-C341 PolarHBondContact O-N 3.1Å; F338-C341 PolarHBondContact O-SG 3.2Å; I339-C341 VanDerWaalsContact C-N 3.32Å; I339-C341 PolarHBondContact O-N 2.77Å; C341-H345 WeakPolarHBondContact O-CA 3.48Å; C341-H345 WeakPolarHBondContact O-CB 3.27Å; C341-H345 PolarHBondContact O-N 2.87Å; C341-H345 VanDerWaalsContact O-N 3.14Å
342L95.2Very high93.4Very high10 Ų1066.4 Ų66.45%0.05237%0.367CS..Hα-helixtrans-74.4-47.2176.2-51.7178.6000110.6T223 V227 L230 L321 F338 I339 H340 N344 H345 H348T223-L342 HydrophobicContact CG2-CD1 3.77Å; V227-L342 HydrophobicContact CG2-CD1 3.53Å; V227-L342 HydrophobicContact CG2-CD2 3.83Å; V227-L342 HydrophobicContact CG2-CG 4.33Å; L230-L342 HydrophobicContact CD1-CB 4.47Å; L230-L342 HydrophobicContact CD1-CD2 3.86Å; L321-L342 HydrophobicContact CD1-CD2 4.13Å; F338-L342 HydrophobicContact CE1-CD1 4.13Å; F338-L342 HydrophobicContact CE1-CG 4.46Å; I339-L342 HydrophobicContact CD1-CD1 4.24Å; I339-L342 PolarHBondContact O-N 3.11Å; H340-L342 VanDerWaalsContact C-N 3.28Å; H340-L342 PolarHBondContact O-N 3.32Å; L342-N344 VanDerWaalsContact C-N 3.26Å; L342-N344 PolarHBondContact O-N 3.47Å; L342-H345 PolarHBondContact O-N 2.93Å; L342-H348 PolarHBondContact O-CD2 3.43Å; L342-H348 VanDerWaalsContact O-CD2 3.24Å; L342-H348 PolarHBondContact O-NE2 2.68Å
343Q95.9Very high93.4Very high117 Ų11766.5 Ų66.555%0.54735%0.35SS..Hα-helixtrans-61.8-33.3-179.1-72.2171.1-22.800113.2I339 H340I339-Q343 HydrophobicContact CG1-CG 4.24Å; I339-Q343 WeakPolarHBondContact O-CG 3.34Å; I339-Q343 PolarHBondContact O-N 2.99Å; H340-Q343 PolarHBondContact ND1-OE1 2.85Å
344N94.5Very high93.3Very high112 Ų11267.5 Ų67.560%0.59936%0.357SS*.THydrogen-bonded Turntrans-110.818.7-177.1-55.9-74.5000112.5H340 L342H340-N344 WeakPolarHBondContact O-CB 3.43Å; H340-N344 PolarHBondContact O-N 3.37Å; H340-N344 VanDerWaalsContact O-N 3.08Å; H340-N344 PolarHBondContact O-ND2 2.85Å; L342-N344 VanDerWaalsContact C-N 3.26Å; L342-N344 PolarHBondContact O-N 3.47Å
345H95.9Very high93Very high5 Ų566.9 Ų66.92%0.02335%0.348CS..  trans-61.7134.5-178.2-160.5-74.6000110.2L230 E234 C341 L342 E347 H348L230-H345 HydrophobicContact CD1-CB 3.93Å; L230-H345 HydrophobicContact CD2-CB 4.18Å; E234-H345 IonicContact OE1-CD2 3.93Å; E234-H345 IonicContact OE1-CE1 3.96Å; E234-H345 IonicContact OE1-NE2 3.08Å; E234-H345 PolarHBondContact OE1-NE2 3.48Å; E234-H345 VanDerWaalsContact OE1-NE2 3.08Å; C341-H345 WeakPolarHBondContact O-CA 3.48Å; C341-H345 WeakPolarHBondContact O-CB 3.27Å; C341-H345 PolarHBondContact O-N 2.87Å; C341-H345 VanDerWaalsContact O-N 3.14Å; L342-H345 PolarHBondContact O-N 2.93Å; H345-E347 WeakPolarHBondContact ND1-CG 3.47Å; H345-E347 PolarHBondContact ND1-N 2.58Å; H345-E347 PolarHBondContact O-N 3.46Å; H345-H348 WeakPolarHBondContact O-CB 3.37Å; H345-H348 PolarHBondContact O-N 3.5Å
346P92.4Very high92.7Very high58 Ų5869.8 Ų69.838%0.37736%0.361SS..G310 helixtrans-57.1-14.8179.8-27.934.8000115.8P320 H348 M349P320-P346 HydrophobicContact CG-CG 4.48Å; P346-H348 PolarHBondContact O-N 2.76Å; P346-M349 HydrophobicContact CB-CE 4.46Å; P346-M349 PolarHBondContact O-N 2.97Å
347E89.5Confident92.4Very high91 Ų9172.4 Ų72.443%0.42536%0.36SS..G310 helixtrans-82.51.4178.8-66.5-65.1166.600112.6L230 M233 H345L230-E347 HydrophobicContact CD2-CB 3.9Å; L230-E347 HydrophobicContact CD2-CG 4.42Å; M233-E347 HydrophobicContact CE-CB 4.1Å; M233-E347 HydrophobicContact CE-CG 3.65Å; M233-E347 WeakPolarHBondContact CE-OE2 3.33Å; M233-E347 HydrophobicContact SD-CB 4.2Å; M233-E347 HydrophobicContact SD-CG 3.97Å; H345-E347 WeakPolarHBondContact ND1-CG 3.47Å; H345-E347 PolarHBondContact ND1-N 2.58Å; H345-E347 PolarHBondContact O-N 3.46Å
348H85.6Confident92.1Very high108 Ų10871.6 Ų71.650%0.536%0.358SS..G310 helixtrans-104.9-10172.8-62.9-45.5000113.2L342 H345 P346L342-H348 PolarHBondContact O-CD2 3.43Å; L342-H348 VanDerWaalsContact O-CD2 3.24Å; L342-H348 PolarHBondContact O-NE2 2.68Å; H345-H348 WeakPolarHBondContact O-CB 3.37Å; H345-H348 PolarHBondContact O-N 3.5Å; P346-H348 PolarHBondContact O-N 2.76Å
349M73.2Confident91.7Very high211 Ų21178 Ų78100%1.03939%0.39SS*.  trans-93.80-179.8-64.6-161.8-71.100111.5P346P346-M349 HydrophobicContact CB-CE 4.46Å; P346-M349 PolarHBondContact O-N 2.97Å

Retrieved 349 of 349 residues in 77.3 ms (Link to these results)

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