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NAD-capped RNA hydrolase NUDT12

mRNA decapping enzyme that specifically removes the nicotinamide adenine dinucleotide (NAD) cap from a subset of mRNAs by hydrolyzing the diphosphate linkage to produce nicotinamide mononucleotide (NMN) and 5' monophosphate mRNA. The NAD-cap is present at the 5'-end of some RNAs; in contrast to the canonical N7 methylguanosine (m7G) cap, the NAD cap promotes mRNA decay. Preferentially acts on NAD-capped transcripts in response to nutrient stress. Also acts on free nicotinamide adenine dinucleotide molecules: hydrolyzes NAD(H) into NMN(H) and AMP, and NADPH into NMNH and 2',5'-ADP. May act to regulate the concentration of peroxisomal nicotinamide nucleotide cofactors required for oxidative metabolism in this organelle. Regulates the levels of circadian clock components PER1, PER2, PER3 and CRY2 in the liver.

AlphaFold DB , UniProt , Accession A0A093JH68, Species STRCA (Struthio camelus australis), Gene n/a, Length 464 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
1M53.7Low70.3Confident149 Ų149107.2 Ų107.273%0.73453%0.529SS*.  0121.20-78-177.9-59.500108.5E5 K6M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.35Å; M1-K6 HydrophobicContact CB-CG 3.99Å; M1-K6 HydrophobicContact CE-CG 4.15Å; M1-K6 HydrophobicContact SD-CG 4.37Å
2T57.6Low72Confident81 Ų81102.3 Ų102.350%0.49751%0.505SS..  trans-64.7156168.9590000109.6F4 E5 K6T2-F4 PolarHBondContact O-N 2.68Å; T2-F4 VanDerWaalsContact O-N 3.1Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.34Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; T2-K6 PolarHBondContact O-N 3.1Å
3D61Low73.5Confident124 Ų12495.5 Ų95.566%0.66347%0.472SS*.Hα-helixtrans-57.7-26179-81-22.7000112.6N7D3-N7 PolarHBondContact O-N 3.31Å
4F64.8Low75Confident149 Ų14993.1 Ų93.165%0.65447%0.469SS*.Hα-helixtrans-67.2-43.8173.5-172.1-103.9000113.3T2 K6 N7 L8T2-F4 PolarHBondContact O-N 2.68Å; T2-F4 VanDerWaalsContact O-N 3.1Å; F4-K6 VanDerWaalsContact C-N 3.33Å; F4-K6 PolarHBondContact O-N 2.78Å; F4-N7 PolarHBondContact O-N 3Å; F4-L8 HydrophobicContact CD1-CD1 3.67Å; F4-L8 HydrophobicContact CE1-CD1 3.35Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CG-CD1 4.49Å; F4-L8 HydrophobicContact CZ-CD1 3.93Å; F4-L8 PolarHBondContact O-N 3.42Å; F4-L8 VanDerWaalsContact O-N 3.12Å
5E59.7Low76.4Confident97 Ų9793.3 Ų93.345%0.45347%0.468SS..Hα-helixtrans-67.7-32.6177.6-72.3167.8164.500112.6M1 T2 K9M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 HydrophobicContact CB-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 4.35Å; T2-E5 PolarHBondContact N-OE2 3.39Å; T2-E5 PolarHBondContact O-N 3.34Å; T2-E5 WeakPolarHBondContact OG1-CG 3.38Å; E5-K9 PolarHBondContact O-N 3.29Å
6K62.6Low77.6Confident106 Ų10687.5 Ų87.546%0.46144%0.438SS..Hα-helixtrans-66.4-42.4174.6-72.8-179.5-177168.80111.6M1 T2 F4 K9 Q10M1-K6 HydrophobicContact CB-CG 3.99Å; M1-K6 HydrophobicContact CE-CG 4.15Å; M1-K6 HydrophobicContact SD-CG 4.37Å; T2-K6 PolarHBondContact O-N 3.1Å; F4-K6 VanDerWaalsContact C-N 3.33Å; F4-K6 PolarHBondContact O-N 2.78Å; K6-K9 PolarHBondContact O-N 2.92Å; K6-Q10 WeakPolarHBondContact O-CB 3.44Å; K6-Q10 PolarHBondContact O-N 3.42Å; K6-Q10 VanDerWaalsContact O-N 3.11Å
7N76.1Confident78.8Confident108 Ų10883.2 Ų83.258%0.57842%0.416SS*.Hα-helixtrans-64.9-45.3178.1-75.7-7.9000111.7D3 F4 K9 Q10 D11D3-N7 PolarHBondContact O-N 3.31Å; F4-N7 PolarHBondContact O-N 3Å; N7-K9 PolarHBondContact O-N 3.39Å; N7-Q10 WeakPolarHBondContact O-CB 3.25Å; N7-Q10 PolarHBondContact O-N 3.39Å; N7-Q10 VanDerWaalsContact O-N 3.15Å; N7-D11 PolarHBondContact O-N 3.14Å
8L79.8Confident79.8Confident83 Ų8383.6 Ų83.644%0.43542%0.42SS..Hα-helixtrans-59.5-42.9177.1-80.6161.4000113F4 Q10 D11 M12F4-L8 HydrophobicContact CD1-CD1 3.67Å; F4-L8 HydrophobicContact CE1-CD1 3.35Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CG-CD1 4.49Å; F4-L8 HydrophobicContact CZ-CD1 3.93Å; F4-L8 PolarHBondContact O-N 3.42Å; F4-L8 VanDerWaalsContact O-N 3.12Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.05Å; L8-D11 PolarHBondContact O-N 3.14Å; L8-M12 WeakPolarHBondContact O-CG 3.05Å; L8-M12 PolarHBondContact O-N 3.16Å; L8-M12 VanDerWaalsContact O-N 3.14Å
9K80.3Confident80.7Confident105 Ų10581.4 Ų81.446%0.45741%0.408SS..Hα-helixtrans-64.6-39.6177.2-172.3177.9-179.8-179.50111.5E5 K6 N7 D11 M12 I13E5-K9 PolarHBondContact O-N 3.29Å; K6-K9 PolarHBondContact O-N 2.92Å; N7-K9 PolarHBondContact O-N 3.39Å; K9-D11 VanDerWaalsContact C-N 3.35Å; K9-M12 PolarHBondContact O-N 3.07Å; K9-I13 HydrophobicContact CG-CD1 4.26Å; K9-I13 VanDerWaalsContact O-CG1 3.29Å; K9-I13 WeakPolarHBondContact O-CG1 3.21Å; K9-I13 PolarHBondContact O-N 3.29Å
10Q87.5Confident81.6Confident86 Ų8677.3 Ų77.340%0.40239%0.387SS..Hα-helixtrans-65.8-37.9178.3-169.360.929.800112.2K6 N7 L8 I13 S14K6-Q10 WeakPolarHBondContact O-CB 3.44Å; K6-Q10 PolarHBondContact O-N 3.42Å; K6-Q10 VanDerWaalsContact O-N 3.11Å; N7-Q10 WeakPolarHBondContact O-CB 3.25Å; N7-Q10 PolarHBondContact O-N 3.39Å; N7-Q10 VanDerWaalsContact O-N 3.15Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.05Å; Q10-I13 PolarHBondContact O-N 2.76Å; Q10-S14 PolarHBondContact O-N 3.45Å; Q10-S14 PolarHBondContact O-OG 3.03Å
11D90.1Very high82.3Confident91 Ų9174.8 Ų74.849%0.48738%0.379SS..Hα-helixtrans-64-42.6175.2-69-22.3000111.4N7 L8 K9 S14 Q15N7-D11 PolarHBondContact O-N 3.14Å; L8-D11 PolarHBondContact O-N 3.14Å; K9-D11 VanDerWaalsContact C-N 3.35Å; D11-S14 PolarHBondContact O-N 3.29Å; D11-Q15 WeakPolarHBondContact O-CG 3.49Å; D11-Q15 PolarHBondContact O-N 3.37Å
12M90.7Very high84.4Confident48 Ų4871.8 Ų71.824%0.23637%0.369CS..Hα-helixtrans-66.5-37.5177.7-66177.476.100112.8L8 K9 S14 Q15 L16 L31 S35 L38L8-M12 WeakPolarHBondContact O-CG 3.05Å; L8-M12 PolarHBondContact O-N 3.16Å; L8-M12 VanDerWaalsContact O-N 3.14Å; K9-M12 PolarHBondContact O-N 3.07Å; M12-S14 VanDerWaalsContact C-N 3.33Å; M12-Q15 PolarHBondContact O-N 2.84Å; M12-L16 PolarHBondContact O-N 3.37Å; M12-L31 HydrophobicContact CE-CD1 3.74Å; M12-S35 VanDerWaalsContact CE-OG 3.23Å; M12-S35 WeakPolarHBondContact CE-OG 3.29Å; M12-L38 HydrophobicContact CB-CD1 3.77Å; M12-L38 HydrophobicContact CE-CD1 4.03Å
13I92.3Very high86.2Confident15 Ų1569.1 Ų69.18%0.07736%0.357CS..Hα-helixtrans-62.4-45.2173.5-67.7168.4000110K9 Q10 Q15 L16 H17 L38 A41K9-I13 HydrophobicContact CG-CD1 4.26Å; K9-I13 VanDerWaalsContact O-CG1 3.29Å; K9-I13 WeakPolarHBondContact O-CG1 3.21Å; K9-I13 PolarHBondContact O-N 3.29Å; Q10-I13 PolarHBondContact O-N 2.76Å; I13-Q15 VanDerWaalsContact C-N 3.33Å; I13-Q15 PolarHBondContact O-N 3.48Å; I13-L16 PolarHBondContact O-N 2.99Å; I13-H17 WeakPolarHBondContact CG2-CE1 3.42Å; I13-H17 PolarHBondContact O-N 3.06Å; I13-L38 HydrophobicContact CG1-CD2 3.87Å; I13-A41 HydrophobicContact CD1-CB 4.03Å; I13-A41 HydrophobicContact CG1-CB 3.77Å; I13-A41 HydrophobicContact CG2-CB 4.05Å
14S94.3Very high87.9Confident62 Ų6266 Ų6643%0.43434%0.34SS..Hα-helixtrans-62.7-40.1178.8-55.70000111.7Q10 D11 M12 H17 N18Q10-S14 PolarHBondContact O-N 3.45Å; Q10-S14 PolarHBondContact O-OG 3.03Å; D11-S14 PolarHBondContact O-N 3.29Å; M12-S14 VanDerWaalsContact C-N 3.33Å; S14-H17 PolarHBondContact O-N 3.28Å; S14-N18 WeakPolarHBondContact O-CB 3.48Å; S14-N18 PolarHBondContact O-N 3.24Å
15Q95.4Very high89.2Confident96 Ų9661.1 Ų61.145%0.44932%0.323SS..Hα-helixtrans-63.6-45174-73.6176.318.300112.2D11 M12 I13 H17 N18 F19 L31D11-Q15 WeakPolarHBondContact O-CG 3.49Å; D11-Q15 PolarHBondContact O-N 3.37Å; M12-Q15 PolarHBondContact O-N 2.84Å; I13-Q15 VanDerWaalsContact C-N 3.33Å; I13-Q15 PolarHBondContact O-N 3.48Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.19Å; Q15-N18 PolarHBondContact O-N 2.6Å; Q15-F19 HydrophobicContact CB-CE2 4.19Å; Q15-F19 WeakPolarHBondContact O-CD2 3.42Å; Q15-F19 VanDerWaalsContact O-CG 3.3Å; Q15-F19 WeakPolarHBondContact O-CG 3.48Å; Q15-F19 PolarHBondContact O-N 2.92Å; Q15-L31 HydrophobicContact CB-CD2 4.18Å
16L96.1Very high90.9Very high0 Ų061.4 Ų61.40%033%0.331CS..Hα-helixtrans-58.1-46.1177.3179.966.2000111.6M12 I13 F19 A20 L28 L31 L32 L38 A49M12-L16 PolarHBondContact O-N 3.37Å; I13-L16 PolarHBondContact O-N 2.99Å; L16-F19 PolarHBondContact O-N 3.45Å; L16-A20 PolarHBondContact O-N 2.94Å; L16-A20 VanDerWaalsContact O-N 3.1Å; L16-L28 HydrophobicContact CD1-CD1 4.22Å; L16-L28 HydrophobicContact CD1-CG 4.27Å; L16-L31 HydrophobicContact CB-CD2 3.73Å; L16-L31 HydrophobicContact CD1-CD2 4.29Å; L16-L32 HydrophobicContact CD1-CD1 4.42Å; L16-L32 HydrophobicContact CD1-CD2 3.9Å; L16-L32 HydrophobicContact CD1-CG 4.01Å; L16-L32 HydrophobicContact CD2-CD2 4.32Å; L16-L38 HydrophobicContact CD2-CB 3.91Å; L16-L38 WeakPolarHBondContact CD2-O 3.1Å; L16-A49 HydrophobicContact CD2-CB 4.25Å; L16-A49 HydrophobicContact CG-CB 4.02Å
17H97.3Very high92.4Very high14 Ų1456.9 Ų56.97%0.06532%0.315CS..Hα-helixtrans-65.8-39.4178-64.5162.5000112I13 S14 Q15 A20 A21 A41 A43 Y52I13-H17 WeakPolarHBondContact CG2-CE1 3.42Å; I13-H17 PolarHBondContact O-N 3.06Å; S14-H17 PolarHBondContact O-N 3.28Å; Q15-H17 VanDerWaalsContact C-N 3.33Å; Q15-H17 PolarHBondContact O-N 3.19Å; H17-A20 PolarHBondContact O-N 3.34Å; H17-A21 VanDerWaalsContact O-CB 3.31Å; H17-A21 WeakPolarHBondContact O-CB 3.39Å; H17-A21 PolarHBondContact O-N 3.36Å; H17-A41 PolarHBondContact NE2-O 2.96Å; H17-A43 PolarHBondContact CE1-N 2.81Å; H17-A43 VanDerWaalsContact CE1-N 3.32Å; H17-Y52 HydrophobicContact CB-CD2 3.81Å; H17-Y52 HydrophobicContact CB-CE2 3.72Å; H17-Y52 AromaticContact CG-CD2 3.95Å; H17-Y52 AromaticContact CG-CE2 3.7Å; H17-Y52 AromaticContact ND1-CE2 3.95Å
18N97.4Very high93.3Very high91 Ų9151.8 Ų51.849%0.48729%0.287SS..Hα-helixtrans-62.7-46.1175.9-175.265000111.8S14 Q15 A20 A21 V22S14-N18 WeakPolarHBondContact O-CB 3.48Å; S14-N18 PolarHBondContact O-N 3.24Å; Q15-N18 PolarHBondContact O-N 2.6Å; N18-A20 VanDerWaalsContact C-N 3.29Å; N18-A20 PolarHBondContact O-N 3.23Å; N18-A21 PolarHBondContact O-N 2.87Å; N18-A21 VanDerWaalsContact O-N 3.11Å; N18-V22 WeakPolarHBondContact O-CG2 3.32Å; N18-V22 PolarHBondContact O-N 2.94Å
19F97.9Very high93.9Very high41 Ų4152.6 Ų52.618%0.1829%0.287CS..Hα-helixtrans-58.3-42.4175.9-64.7-39.7000111.9Q15 L16 A21 G23 D24 L28 L31Q15-F19 HydrophobicContact CB-CE2 4.19Å; Q15-F19 WeakPolarHBondContact O-CD2 3.42Å; Q15-F19 VanDerWaalsContact O-CG 3.3Å; Q15-F19 WeakPolarHBondContact O-CG 3.48Å; Q15-F19 PolarHBondContact O-N 2.92Å; L16-F19 PolarHBondContact O-N 3.45Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.83Å; F19-G23 PolarHBondContact O-N 2.85Å; F19-D24 HydrophobicContact CB-CB 4.22Å; F19-D24 HydrophobicContact CD1-CB 3.83Å; F19-D24 VanDerWaalsContact CD1-OD2 3.31Å; F19-D24 WeakPolarHBondContact CD1-OD2 3.29Å; F19-D24 WeakPolarHBondContact CE1-OD2 3.32Å; F19-D24 HydrophobicContact CG-CB 4.39Å; F19-D24 PolarHBondContact O-N 3.07Å; F19-L28 HydrophobicContact CB-CB 4.08Å; F19-L28 HydrophobicContact CB-CD1 4.43Å; F19-L31 HydrophobicContact CD2-CD2 4.13Å; F19-L31 HydrophobicContact CE2-CB 4.32Å; F19-L31 HydrophobicContact CE2-CD2 4.01Å
20A97.3Very high94.5Very high0 Ų051.3 Ų51.30%029%0.288CS..Hα-helixtrans-68.9-32.2176.900000113.5L16 H17 N18 L28 A49 G53 H58 V61L16-A20 PolarHBondContact O-N 2.94Å; L16-A20 VanDerWaalsContact O-N 3.1Å; H17-A20 PolarHBondContact O-N 3.34Å; N18-A20 VanDerWaalsContact C-N 3.29Å; N18-A20 PolarHBondContact O-N 3.23Å; A20-L28 HydrophobicContact CB-CD1 3.94Å; A20-A49 HydrophobicContact CB-CB 3.89Å; A20-A49 VanDerWaalsContact CB-O 3.3Å; A20-A49 WeakPolarHBondContact CB-O 3.3Å; A20-G53 WeakPolarHBondContact O-CA 3.29Å; A20-H58 PolarHBondContact O-CD2 3.04Å; A20-V61 HydrophobicContact CB-CG1 3.95Å
21A97Very high94.7Very high25 Ų2547.8 Ų47.821%0.20727%0.272CS..Hα-helixtrans-76.5-30.2179.700000113.7H17 N18 F19 Y52 N56 H58H17-A21 VanDerWaalsContact O-CB 3.31Å; H17-A21 WeakPolarHBondContact O-CB 3.39Å; H17-A21 PolarHBondContact O-N 3.36Å; N18-A21 PolarHBondContact O-N 2.87Å; N18-A21 VanDerWaalsContact O-N 3.11Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 2.83Å; A21-Y52 HydrophobicContact CB-CD1 4.16Å; A21-Y52 HydrophobicContact CB-CG 4.37Å; A21-N56 PolarHBondContact O-ND2 2.93Å; A21-H58 PolarHBondContact O-NE2 3.23Å; A21-H58 VanDerWaalsContact O-NE2 3.12Å
22V96.8Very high94.5Very high86 Ų8643.7 Ų43.752%0.52125%0.25SS..Hα-helixtrans-99.5-6.4179.9-58.90000113.8N18 D24N18-V22 WeakPolarHBondContact O-CG2 3.32Å; N18-V22 PolarHBondContact O-N 2.94Å; V22-D24 HydrophobicContact CG2-CB 4.06Å
23G95.3Very high94.2Very high24 Ų2446.8 Ų46.825%0.24727%0.272CS..THydrogen-bonded Turntrans83.918.8178.900000115.1F19 T25 H58F19-G23 PolarHBondContact O-N 2.85Å; G23-T25 PolarHBondContact O-N 3.2Å; G23-H58 PolarHBondContact N-CD2 2.82Å; G23-H58 PolarHBondContact N-NE2 2.89Å
24D96.7Very high94Very high58 Ų5855.2 Ų55.231%0.3130%0.302SS..  trans-77.589.3-179.9-177.40.9000111.4F19 V22 V26 G27 L28F19-D24 HydrophobicContact CB-CB 4.22Å; F19-D24 HydrophobicContact CD1-CB 3.83Å; F19-D24 VanDerWaalsContact CD1-OD2 3.31Å; F19-D24 WeakPolarHBondContact CD1-OD2 3.29Å; F19-D24 WeakPolarHBondContact CE1-OD2 3.32Å; F19-D24 HydrophobicContact CG-CB 4.39Å; F19-D24 PolarHBondContact O-N 3.07Å; V22-D24 HydrophobicContact CG2-CB 4.06Å; D24-V26 VanDerWaalsContact C-N 3.3Å; D24-V26 PolarHBondContact O-N 3.18Å; D24-V26 PolarHBondContact OD1-N 2.94Å; D24-V26 VanDerWaalsContact OD1-N 3.12Å; D24-G27 PolarHBondContact OD1-N 3.03Å; D24-L28 WeakPolarHBondContact O-CB 3.43Å; D24-L28 PolarHBondContact O-N 3.37Å; D24-L28 VanDerWaalsContact O-N 3.08Å
25T93.8Very high93.4Very high48 Ų4853.7 Ų53.729%0.29429%0.292SS..Hα-helixtrans-67.2-27.8179.758.30000113.3G23 K29 E60 V61 I64G23-T25 PolarHBondContact O-N 3.2Å; T25-K29 WeakPolarHBondContact O-CB 3.5Å; T25-K29 WeakPolarHBondContact O-CG 3.38Å; T25-K29 PolarHBondContact O-N 3.49Å; T25-K29 VanDerWaalsContact O-N 3.12Å; T25-E60 HydrophobicContact CG2-CB 4.01Å; T25-V61 HydrophobicContact CG2-CG2 3.96Å; T25-I64 HydrophobicContact CG2-CD1 3.71Å
26V93.8Very high92.6Very high102 Ų10253.3 Ų53.362%0.61830%0.298SS*.Hα-helixtrans-78.4-48.3-177.6179.70000110.3D24 L28 T30D24-V26 VanDerWaalsContact C-N 3.3Å; D24-V26 PolarHBondContact O-N 3.18Å; D24-V26 PolarHBondContact OD1-N 2.94Å; D24-V26 VanDerWaalsContact OD1-N 3.12Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-T30 WeakPolarHBondContact O-CB 3.34Å; V26-T30 PolarHBondContact O-N 2.86Å; V26-T30 PolarHBondContact O-OG1 2.99Å
27G93.9Very high92Very high12 Ų1258.4 Ų58.412%0.12433%0.333CS..Hα-helixtrans-60.1-44174.200000111.6D24 T30 L31D24-G27 PolarHBondContact OD1-N 3.03Å; G27-T30 PolarHBondContact O-N 3.14Å; G27-L31 WeakPolarHBondContact O-CB 3.43Å; G27-L31 PolarHBondContact O-N 3Å
28L95.1Very high91.5Very high0 Ų058.1 Ų58.10%033%0.332CS..Hα-helixtrans-59.9-51.2178-173.1127.4000112.5L16 F19 A20 D24 V26 L31 L32 V61 I64 L65L16-L28 HydrophobicContact CD1-CD1 4.22Å; L16-L28 HydrophobicContact CD1-CG 4.27Å; F19-L28 HydrophobicContact CB-CB 4.08Å; F19-L28 HydrophobicContact CB-CD1 4.43Å; A20-L28 HydrophobicContact CB-CD1 3.94Å; D24-L28 WeakPolarHBondContact O-CB 3.43Å; D24-L28 PolarHBondContact O-N 3.37Å; D24-L28 VanDerWaalsContact O-N 3.08Å; V26-L28 VanDerWaalsContact C-N 3.33Å; L28-L31 PolarHBondContact O-N 3.05Å; L28-L32 HydrophobicContact CD2-CD1 3.81Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.41Å; L28-L32 PolarHBondContact O-N 2.76Å; L28-V61 HydrophobicContact CD1-CG1 3.93Å; L28-I64 HydrophobicContact CD2-CB 4.24Å; L28-I64 HydrophobicContact CD2-CG2 3.59Å; L28-L65 HydrophobicContact CD1-CD1 4.5Å; L28-L65 HydrophobicContact CD1-CD2 4.28Å; L28-L65 HydrophobicContact CD1-CG 4.46Å; L28-L65 HydrophobicContact CD2-CD2 4.14Å; L28-L65 HydrophobicContact CD2-CG 4.27Å
29K92.3Very high91Very high101 Ų10154.9 Ų54.944%0.43932%0.315SS..Hα-helixtrans-61.5-46.1176.9-77.2-177.9175.2-177.40112T25 L31 L32 V33 I64T25-K29 WeakPolarHBondContact O-CB 3.5Å; T25-K29 WeakPolarHBondContact O-CG 3.38Å; T25-K29 PolarHBondContact O-N 3.49Å; T25-K29 VanDerWaalsContact O-N 3.12Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 3.28Å; K29-L32 PolarHBondContact O-N 2.87Å; K29-V33 VanDerWaalsContact O-CG2 3.31Å; K29-V33 WeakPolarHBondContact O-CG2 3.41Å; K29-V33 PolarHBondContact O-N 3.07Å; K29-I64 HydrophobicContact CD-CD1 4.39Å; K29-I64 VanDerWaalsContact CE-CD1 3.47Å; K29-I64 HydrophobicContact CG-CD1 4.44Å; K29-I64 HydrophobicContact CG-CG2 3.9Å
30T93.8Very high90.6Very high78 Ų7855.9 Ų55.948%0.47932%0.322SS..Hα-helixtrans-60.5-40.3-178.7-56.80000111.7V26 G27 R34V26-T30 WeakPolarHBondContact O-CB 3.34Å; V26-T30 PolarHBondContact O-N 2.86Å; V26-T30 PolarHBondContact O-OG1 2.99Å; G27-T30 PolarHBondContact O-N 3.14Å; T30-R34 WeakPolarHBondContact O-CG 3.47Å; T30-R34 PolarHBondContact O-N 3.48Å
31L91.5Very high90.4Very high11 Ų1156.7 Ų56.76%0.05833%0.329CS..Hα-helixtrans-71.2-43.2178.9-174.461.1000112.1M12 Q15 L16 F19 G27 L28 K29 V33 R34 S35M12-L31 HydrophobicContact CE-CD1 3.74Å; Q15-L31 HydrophobicContact CB-CD2 4.18Å; L16-L31 HydrophobicContact CB-CD2 3.73Å; L16-L31 HydrophobicContact CD1-CD2 4.29Å; F19-L31 HydrophobicContact CD2-CD2 4.13Å; F19-L31 HydrophobicContact CE2-CB 4.32Å; F19-L31 HydrophobicContact CE2-CD2 4.01Å; G27-L31 WeakPolarHBondContact O-CB 3.43Å; G27-L31 PolarHBondContact O-N 3Å; L28-L31 PolarHBondContact O-N 3.05Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 3.28Å; L31-V33 PolarHBondContact O-N 3.15Å; L31-R34 PolarHBondContact O-N 2.91Å; L31-S35 PolarHBondContact O-N 3.17Å
32L85.1Confident90.2Very high6 Ų658.8 Ų58.83%0.03134%0.339CS..Hα-helixtrans-66.7-35.1179.5-71.2172.9000112.6L16 L28 K29 R34 S35 P36 I39 L65L16-L32 HydrophobicContact CD1-CD1 4.42Å; L16-L32 HydrophobicContact CD1-CD2 3.9Å; L16-L32 HydrophobicContact CD1-CG 4.01Å; L16-L32 HydrophobicContact CD2-CD2 4.32Å; L28-L32 HydrophobicContact CD2-CD1 3.81Å; L28-L32 HydrophobicContact CG-CD1 4.07Å; L28-L32 WeakPolarHBondContact O-CB 3.45Å; L28-L32 WeakPolarHBondContact O-CG 3.41Å; L28-L32 PolarHBondContact O-N 2.76Å; K29-L32 PolarHBondContact O-N 2.87Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.85Å; L32-S35 CarbonylContact O-C 3.59Å; L32-S35 VanDerWaalsContact O-C 3.29Å; L32-S35 PolarHBondContact O-N 3.32Å; L32-P36 VanDerWaalsContact O-CA 3.26Å; L32-P36 WeakPolarHBondContact O-CA 3.31Å; L32-P36 VanDerWaalsContact O-CD 3.28Å; L32-P36 WeakPolarHBondContact O-CD 3.32Å; L32-P36 VanDerWaalsContact O-CG 3.31Å; L32-P36 WeakPolarHBondContact O-CG 3.31Å; L32-I39 HydrophobicContact CD2-CB 4.02Å; L32-I39 HydrophobicContact CD2-CG1 4.3Å; L32-L65 HydrophobicContact CD1-CD2 3.88Å
33V85.7Confident90Very high113 Ų11355.7 Ų55.769%0.68532%0.322SS*.Hα-helixtrans-62.3-42.1172.3169.20000111.5K29 L31K29-V33 VanDerWaalsContact O-CG2 3.31Å; K29-V33 WeakPolarHBondContact O-CG2 3.41Å; K29-V33 PolarHBondContact O-N 3.07Å; L31-V33 PolarHBondContact O-N 3.15Å
34R86.9Confident89.9Confident191 Ų19162.6 Ų62.672%0.72135%0.348SS*.Hα-helixtrans-74.8-26.9179.7-71.4174.862.8-179.5-1.2112.8T30 L31 L32T30-R34 WeakPolarHBondContact O-CG 3.47Å; T30-R34 PolarHBondContact O-N 3.48Å; L31-R34 PolarHBondContact O-N 2.91Å; L32-R34 VanDerWaalsContact C-N 3.34Å; L32-R34 PolarHBondContact O-N 2.85Å
35S83.3Confident89.6Confident31 Ų3162.9 Ų62.922%0.21735%0.349CS..  trans-150.776.1-175.6-67.20000112M12 L31 L32 S37 L38M12-S35 VanDerWaalsContact CE-OG 3.23Å; M12-S35 WeakPolarHBondContact CE-OG 3.29Å; L31-S35 PolarHBondContact O-N 3.17Å; L32-S35 CarbonylContact O-C 3.59Å; L32-S35 VanDerWaalsContact O-C 3.29Å; L32-S35 PolarHBondContact O-N 3.32Å; S35-S37 PolarHBondContact O-N 2.78Å; S35-L38 PolarHBondContact O-N 2.83Å
36P78.1Confident89.6Confident88 Ų8861.2 Ų61.257%0.57134%0.342SS*.G310 helixtrans-62-27.1-176.1-2432.9000114L32 L38 I39L32-P36 VanDerWaalsContact O-CA 3.26Å; L32-P36 WeakPolarHBondContact O-CA 3.31Å; L32-P36 VanDerWaalsContact O-CD 3.28Å; L32-P36 WeakPolarHBondContact O-CD 3.32Å; L32-P36 VanDerWaalsContact O-CG 3.31Å; L32-P36 WeakPolarHBondContact O-CG 3.31Å; P36-L38 PolarHBondContact O-N 3.39Å; P36-I39 WeakPolarHBondContact O-CG2 3.44Å; P36-I39 PolarHBondContact O-N 3.5Å
37S82.8Confident89.8Confident107 Ų10757.7 Ų57.775%0.74832%0.318SS*.G310 helixtrans-64.5-10.4-179.659.80000114.3S35S35-S37 PolarHBondContact O-N 2.78Å
38L87.6Confident90Very high7 Ų757.3 Ų57.34%0.03731%0.313CS..G310 helixtrans-82.8-12.5178.4-61.2179.5000113.8M12 I13 L16 S35 P36 N40 A41M12-L38 HydrophobicContact CB-CD1 3.77Å; M12-L38 HydrophobicContact CE-CD1 4.03Å; I13-L38 HydrophobicContact CG1-CD2 3.87Å; L16-L38 HydrophobicContact CD2-CB 3.91Å; L16-L38 WeakPolarHBondContact CD2-O 3.1Å; S35-L38 PolarHBondContact O-N 2.83Å; P36-L38 PolarHBondContact O-N 3.39Å; L38-N40 PolarHBondContact O-N 3.13Å; L38-A41 WeakPolarHBondContact O-CB 3.48Å; L38-A41 PolarHBondContact O-N 3.04Å
39I86.5Confident90.1Very high24 Ų2457.3 Ų57.312%0.12331%0.313CS..THydrogen-bonded Turntrans-54.2-34.5-168.6-165.8169.6000114.4L32 P36 L65 E68 C70L32-I39 HydrophobicContact CD2-CB 4.02Å; L32-I39 HydrophobicContact CD2-CG1 4.3Å; P36-I39 WeakPolarHBondContact O-CG2 3.44Å; P36-I39 PolarHBondContact O-N 3.5Å; I39-L65 HydrophobicContact CG1-CD2 4.41Å; I39-E68 HydrophobicContact CD1-CB 3.6Å; I39-E68 WeakPolarHBondContact CD1-O 3.17Å; I39-C70 HydrophobicContact CD1-CB 3.86Å; I39-C70 HydrophobicContact CG1-CB 3.7Å
40N90.3Very high90.3Very high62 Ų6252.7 Ų52.733%0.33229%0.293SS..THydrogen-bonded Turntrans-108.114.4179-63.6-33.2000113.2L38 C70 D71L38-N40 PolarHBondContact O-N 3.13Å; N40-C70 WeakPolarHBondContact OD1-CA 3.49Å; N40-D71 PolarHBondContact ND2-N 2.91Å; N40-D71 PolarHBondContact OD1-N 3.05Å
41A91.6Very high90.5Very high17 Ų1749 Ų4914%0.1427%0.27CS..  trans-65.1137.2-179.800000111.2I13 H17 L38I13-A41 HydrophobicContact CD1-CB 4.03Å; I13-A41 HydrophobicContact CG1-CB 3.77Å; I13-A41 HydrophobicContact CG2-CB 4.05Å; H17-A41 PolarHBondContact NE2-O 2.96Å; L38-A41 WeakPolarHBondContact O-CB 3.48Å; L38-A41 PolarHBondContact O-N 3.04Å
42T94.6Very high90.8Very high69 Ų6950.6 Ų50.642%0.42328%0.276SS..  trans-105.9144.7-177.254.60000111.5W47 T48 V74T42-W47 CarbonylContact C-O 3.52Å; T42-W47 WeakPolarHBondContact CA-O 3.29Å; T42-T48 HydrophobicContact CG2-CG2 3.85Å; T42-V74 HydrophobicContact CG2-CG1 4.21Å
43A92.6Very high91.4Very high20 Ų2050.3 Ų50.317%0.16527%0.274CS..  trans-74.1173.1166.600000110.3H17 N45 G46 W47H17-A43 PolarHBondContact CE1-N 2.81Å; H17-A43 VanDerWaalsContact CE1-N 3.32Å; A43-N45 WeakPolarHBondContact CB-OD1 3.48Å; A43-N45 PolarHBondContact O-N 2.78Å; A43-G46 PolarHBondContact O-N 2.99Å; A43-W47 HydrophobicContact CB-CB 4.48Å; A43-W47 PolarHBondContact N-O 3.08Å
44E91.6Very high91.9Very high170 Ų17044.9 Ų44.979%0.79424%0.242SC*.THydrogen-bonded Turntrans-57.3-25.8179.5-64.7-173170.400113.8K77E44-K77 WeakPolarHBondContact O-CE 3.19Å; E44-K77 PolarHBondContact O-NZ 3.12Å
45N91.2Very high92.4Very high63 Ų6340.7 Ų40.734%0.33723%0.226SC..THydrogen-bonded Turntrans-90.14.517764.21.1000113.7A43 W47 K77A43-N45 WeakPolarHBondContact CB-OD1 3.48Å; A43-N45 PolarHBondContact O-N 2.78Å; N45-W47 VanDerWaalsContact ND2-CD1 3.29Å; N45-W47 VanDerWaalsContact OD1-CB 3.3Å; N45-W47 WeakPolarHBondContact OD1-CB 3.39Å; N45-W47 PolarHBondContact OD1-N 3.26Å; N45-W47 VanDerWaalsContact OD1-N 3.11Å; N45-K77 WeakPolarHBondContact O-CG 3.12Å; N45-K77 PolarHBondContact O-N 3.19Å; N45-K77 VanDerWaalsContact O-N 3.09Å
46G94.4Very high93Very high14 Ų1442.3 Ų42.314%0.14423%0.232CC..SBendtrans83.18.6-17900000114.8A43A43-G46 PolarHBondContact O-N 2.99Å
47W97.6Very high93.6Very high28 Ų2839.1 Ų39.111%0.10622%0.215CC..  trans-78.4135-179.6-78.156000112.4T42 A43 N45 M51 Y52 R55 N76 I85T42-W47 CarbonylContact C-O 3.52Å; T42-W47 WeakPolarHBondContact CA-O 3.29Å; A43-W47 HydrophobicContact CB-CB 4.48Å; A43-W47 PolarHBondContact N-O 3.08Å; N45-W47 VanDerWaalsContact ND2-CD1 3.29Å; N45-W47 VanDerWaalsContact OD1-CB 3.3Å; N45-W47 WeakPolarHBondContact OD1-CB 3.39Å; N45-W47 PolarHBondContact OD1-N 3.26Å; N45-W47 VanDerWaalsContact OD1-N 3.11Å; W47-M51 HydrophobicContact CD2-CB 4.3Å; W47-M51 HydrophobicContact CE3-CB 3.68Å; W47-M51 HydrophobicContact CG-SD 4.48Å; W47-M51 HydrophobicContact CZ3-CB 3.99Å; W47-Y52 HydrophobicContact CB-CD2 4.29Å; W47-Y52 HydrophobicContact CB-CE2 3.54Å; W47-Y52 HydrophobicContact CD2-CE1 4.37Å; W47-Y52 AromaticContact CE3-CD1 3.84Å; W47-Y52 HydrophobicContact CE3-CD1 3.84Å; W47-Y52 HydrophobicContact CE3-CD2 4.37Å; W47-Y52 AromaticContact CE3-CE1 3.8Å; W47-Y52 HydrophobicContact CE3-CE1 3.8Å; W47-Y52 HydrophobicContact CE3-CE2 4.34Å; W47-Y52 HydrophobicContact CE3-CG 4.13Å; W47-Y52 HydrophobicContact CG-CE2 4.43Å; W47-Y52 HydrophobicContact CZ3-CD1 4.32Å; W47-R55 HydrophobicContact CH2-CB 4.11Å; W47-R55 VanDerWaalsContact CH2-CD 3.5Å; W47-R55 HydrophobicContact CH2-CG 4.27Å; W47-R55 HydrophobicContact CZ3-CB 3.79Å; W47-R55 HydrophobicContact CZ3-CG 4.27Å; W47-N76 HydrophobicContact CG-CB 4.47Å; W47-N76 PolarHBondContact NE1-ND2 2.79Å; W47-I85 HydrophobicContact CH2-CD1 3.67Å; W47-I85 HydrophobicContact CH2-CG1 4.31Å; W47-I85 HydrophobicContact CH2-CG2 4.32Å; W47-I85 HydrophobicContact CZ2-CD1 4.06Å; W47-I85 HydrophobicContact CZ3-CD1 3.99Å
48T97.4Very high94.3Very high4 Ų436.4 Ų36.43%0.02519%0.19CC..  trans-99.4166.1172.564.80000111.5T42 L50 M51 Y52 V74T42-T48 HydrophobicContact CG2-CG2 3.85Å; T48-L50 PolarHBondContact O-N 3.21Å; T48-M51 WeakPolarHBondContact O-CB 2.92Å; T48-M51 PolarHBondContact O-N 3.01Å; T48-M51 VanDerWaalsContact O-N 3.11Å; T48-M51 WeakPolarHBondContact OG1-CG 3.35Å; T48-M51 PolarHBondContact OG1-N 2.87Å; T48-Y52 WeakPolarHBondContact O-CD2 2.97Å; T48-Y52 PolarHBondContact O-N 3.15Å; T48-Y52 VanDerWaalsContact O-N 3.16Å; T48-V74 HydrophobicContact CG2-CB 4.07Å; T48-V74 HydrophobicContact CG2-CG1 3.62Å; T48-V74 HydrophobicContact CG2-CG2 4.47Å
49A97.1Very high94.2Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-54.3-39.8171.600000112.2L16 A20 M51 Y52 G53 L65L16-A49 HydrophobicContact CD2-CB 4.25Å; L16-A49 HydrophobicContact CG-CB 4.02Å; A20-A49 HydrophobicContact CB-CB 3.89Å; A20-A49 VanDerWaalsContact CB-O 3.3Å; A20-A49 WeakPolarHBondContact CB-O 3.3Å; A49-M51 VanDerWaalsContact C-N 3.32Å; A49-M51 PolarHBondContact O-N 2.98Å; A49-Y52 PolarHBondContact O-N 3.39Å; A49-G53 PolarHBondContact O-N 3.12Å; A49-L65 HydrophobicContact CB-CD1 3.95Å; A49-L65 HydrophobicContact CB-CD2 4.25Å
50L97.3Very high94.1Very high3 Ų343 Ų432%0.01622%0.22CC..Hα-helixtrans-60.6-39.7177.9-169.669.8000112.2T48 A54 V62 L65 L66 R72 A82 L98T48-L50 PolarHBondContact O-N 3.21Å; L50-A54 WeakPolarHBondContact O-CB 3.44Å; L50-A54 PolarHBondContact O-N 3.15Å; L50-V62 HydrophobicContact CD1-CG1 3.98Å; L50-L65 HydrophobicContact CB-CD1 4.29Å; L50-L65 HydrophobicContact CD1-CB 3.93Å; L50-L65 HydrophobicContact CD1-CD1 4.21Å; L50-L66 HydrophobicContact CD1-CG 4.42Å; L50-R72 HydrophobicContact CD2-CB 3.81Å; L50-A82 HydrophobicContact CB-CB 4.36Å; L50-A82 HydrophobicContact CD2-CB 3.76Å; L50-A82 HydrophobicContact CG-CB 3.72Å; L50-L98 HydrophobicContact CD1-CD2 3.87Å; L50-L98 HydrophobicContact CD2-CD2 3.89Å; L50-L98 HydrophobicContact CG-CD2 4Å
51M98.1Very high94.3Very high1 Ų140.1 Ų40.11%0.00520%0.204CC..Hα-helixtrans-68.9-37.5176.8-65.9175.4-175.100112.4W47 T48 A49 A54 R55 V74 N76 Q80 A82 I85W47-M51 HydrophobicContact CD2-CB 4.3Å; W47-M51 HydrophobicContact CE3-CB 3.68Å; W47-M51 HydrophobicContact CG-SD 4.48Å; W47-M51 HydrophobicContact CZ3-CB 3.99Å; T48-M51 WeakPolarHBondContact O-CB 2.92Å; T48-M51 PolarHBondContact O-N 3.01Å; T48-M51 VanDerWaalsContact O-N 3.11Å; T48-M51 WeakPolarHBondContact OG1-CG 3.35Å; T48-M51 PolarHBondContact OG1-N 2.87Å; A49-M51 VanDerWaalsContact C-N 3.32Å; A49-M51 PolarHBondContact O-N 2.98Å; M51-A54 PolarHBondContact O-N 2.9Å; M51-R55 WeakPolarHBondContact O-CB 3.48Å; M51-R55 PolarHBondContact O-N 3.28Å; M51-V74 HydrophobicContact CE-CB 4.4Å; M51-V74 HydrophobicContact CE-CG1 4.2Å; M51-V74 WeakPolarHBondContact CE-O 3.31Å; M51-N76 HydrophobicContact CE-CB 4.42Å; M51-N76 HydrophobicContact SD-CB 3.98Å; M51-Q80 WeakPolarHBondContact CE-O 3.44Å; M51-A82 HydrophobicContact CG-CB 4.06Å; M51-I85 HydrophobicContact CB-CD1 3.69Å; M51-I85 HydrophobicContact CG-CD1 3.74Å; M51-I85 HydrophobicContact SD-CD1 4.13Å
52Y98Very high94.4Very high44 Ų4439.3 Ų39.317%0.17320%0.197CC..Hα-helixtrans-66.4-42.1175.3-75.7-68.6000112.1H17 A21 W47 T48 A49 R55 N56H17-Y52 HydrophobicContact CB-CD2 3.81Å; H17-Y52 HydrophobicContact CB-CE2 3.72Å; H17-Y52 AromaticContact CG-CD2 3.95Å; H17-Y52 AromaticContact CG-CE2 3.7Å; H17-Y52 AromaticContact ND1-CE2 3.95Å; A21-Y52 HydrophobicContact CB-CD1 4.16Å; A21-Y52 HydrophobicContact CB-CG 4.37Å; W47-Y52 HydrophobicContact CB-CD2 4.29Å; W47-Y52 HydrophobicContact CB-CE2 3.54Å; W47-Y52 HydrophobicContact CD2-CE1 4.37Å; W47-Y52 AromaticContact CE3-CD1 3.84Å; W47-Y52 HydrophobicContact CE3-CD1 3.84Å; W47-Y52 HydrophobicContact CE3-CD2 4.37Å; W47-Y52 AromaticContact CE3-CE1 3.8Å; W47-Y52 HydrophobicContact CE3-CE1 3.8Å; W47-Y52 HydrophobicContact CE3-CE2 4.34Å; W47-Y52 HydrophobicContact CE3-CG 4.13Å; W47-Y52 HydrophobicContact CG-CE2 4.43Å; W47-Y52 HydrophobicContact CZ3-CD1 4.32Å; T48-Y52 WeakPolarHBondContact O-CD2 2.97Å; T48-Y52 PolarHBondContact O-N 3.15Å; T48-Y52 VanDerWaalsContact O-N 3.16Å; A49-Y52 PolarHBondContact O-N 3.39Å; Y52-R55 PolarHBondContact O-N 3.35Å; Y52-N56 PolarHBondContact O-N 2.93Å; Y52-N56 PolarHBondContact O-ND2 2.89Å
53G97.4Very high93.9Very high0 Ų039.5 Ų39.50%019%0.194CC..Hα-helixtrans-61.4-43.8172.900000111.9A20 A49 N56 G57 H58A20-G53 WeakPolarHBondContact O-CA 3.29Å; A49-G53 PolarHBondContact O-N 3.12Å; G53-N56 PolarHBondContact O-N 3.23Å; G53-G57 PolarHBondContact O-N 2.83Å; G53-H58 PolarHBondContact O-N 2.87Å
54A96.6Very high93.5Very high0 Ų039.1 Ų39.10%019%0.189CC..Hα-helixtrans-65.6-39.2177.600000113.6L50 M51 A82 I85 A86 Y91 I94 L98L50-A54 WeakPolarHBondContact O-CB 3.44Å; L50-A54 PolarHBondContact O-N 3.15Å; M51-A54 PolarHBondContact O-N 2.9Å; A54-A82 HydrophobicContact CB-CB 4.19Å; A54-A82 WeakPolarHBondContact CB-O 3.02Å; A54-I85 HydrophobicContact CB-CG2 4.41Å; A54-A86 HydrophobicContact CB-CB 4.29Å; A54-Y91 WeakPolarHBondContact O-CD2 3.39Å; A54-I94 HydrophobicContact CB-CG2 4.21Å; A54-L98 HydrophobicContact CB-CD1 4.14Å
55R97.4Very high93.3Very high103 Ų10331 Ų3139%0.38915%0.151SC..Hα-helixtrans-67.6-35.3178.5175.2179.7177.9174.9-1.9113.2W47 M51 Y52 I85 Y91W47-R55 HydrophobicContact CH2-CB 4.11Å; W47-R55 VanDerWaalsContact CH2-CD 3.5Å; W47-R55 HydrophobicContact CH2-CG 4.27Å; W47-R55 HydrophobicContact CZ3-CB 3.79Å; W47-R55 HydrophobicContact CZ3-CG 4.27Å; M51-R55 WeakPolarHBondContact O-CB 3.48Å; M51-R55 PolarHBondContact O-N 3.28Å; Y52-R55 PolarHBondContact O-N 3.35Å; R55-I85 HydrophobicContact CB-CG2 3.71Å; R55-Y91 VanDerWaalsContact O-CE2 3.3Å; R55-Y91 WeakPolarHBondContact O-CE2 3.49Å
56N95.1Very high92.9Very high65 Ų6529.3 Ų29.335%0.34814%0.142SC..Hα-helixtrans-98.43.8-174.6-64.4-69.1000113.1A21 Y52 G53A21-N56 PolarHBondContact O-ND2 2.93Å; Y52-N56 PolarHBondContact O-N 2.93Å; Y52-N56 PolarHBondContact O-ND2 2.89Å; G53-N56 PolarHBondContact O-N 3.23Å
57G91.1Very high92.2Very high20 Ų2034.6 Ų34.621%0.20616%0.163CC..THydrogen-bonded Turntrans7819.3174.800000114.4G53 F59 I94G53-G57 PolarHBondContact O-N 2.83Å; G57-F59 PolarHBondContact O-N 2.65Å; G57-F59 VanDerWaalsContact O-N 3.17Å; G57-I94 VanDerWaalsContact CA-CD1 3.43Å
58H96.2Very high91.2Very high50 Ų5038.5 Ų38.523%0.23118%0.182CC..  trans-86.385.7-177.1-61.8-47.5000111.7A20 A21 G23 G53 E60 V61 V62A20-H58 PolarHBondContact O-CD2 3.04Å; A21-H58 PolarHBondContact O-NE2 3.23Å; A21-H58 VanDerWaalsContact O-NE2 3.12Å; G23-H58 PolarHBondContact N-CD2 2.82Å; G23-H58 PolarHBondContact N-NE2 2.89Å; G53-H58 PolarHBondContact O-N 2.87Å; H58-E60 PolarHBondContact O-N 3.26Å; H58-V61 HydrophobicContact CB-CB 3.94Å; H58-V61 HydrophobicContact CB-CG2 4Å; H58-V61 PolarHBondContact O-N 2.87Å; H58-V62 WeakPolarHBondContact O-CG2 3.49Å; H58-V62 PolarHBondContact O-N 2.94Å; H58-V62 VanDerWaalsContact O-N 3.12Å
59F86Confident90.1Very high56 Ų5640.9 Ų40.925%0.24621%0.208CC..Hα-helixtrans-58.1-46-177.1-179.4-94.8000113.2G57 V61 V62 Q63 H93 I94 L97G57-F59 PolarHBondContact O-N 2.65Å; G57-F59 VanDerWaalsContact O-N 3.17Å; F59-V61 VanDerWaalsContact C-N 3.32Å; F59-V61 PolarHBondContact O-N 3.45Å; F59-V62 PolarHBondContact O-N 3.24Å; F59-V62 VanDerWaalsContact O-N 3.14Å; F59-Q63 PolarHBondContact O-N 3.29Å; F59-H93 HydrophobicContact CD2-CB 4.46Å; F59-H93 AromaticContact CD2-CD2 3.58Å; F59-I94 HydrophobicContact CB-CD1 4.45Å; F59-I94 HydrophobicContact CB-CG1 4.06Å; F59-I94 HydrophobicContact CD2-CG1 3.93Å; F59-I94 HydrophobicContact CG-CG1 4.49Å; F59-L97 HydrophobicContact CD2-CD2 3.9Å; F59-L97 HydrophobicContact CE1-CD2 4.45Å; F59-L97 HydrophobicContact CE2-CB 3.85Å; F59-L97 HydrophobicContact CE2-CD1 4.48Å; F59-L97 HydrophobicContact CE2-CD2 3.57Å; F59-L97 HydrophobicContact CE2-CG 4.16Å; F59-L97 HydrophobicContact CZ-CD1 4.36Å; F59-L97 HydrophobicContact CZ-CD2 3.87Å; F59-L97 HydrophobicContact CZ-CG 4.48Å
60E84.3Confident89.3Confident114 Ų11441.4 Ų41.453%0.53321%0.211SC..Hα-helixtrans-64.3-37.7-177.9-63.374.7-165.100111.5T25 H58 Q63 I64T25-E60 HydrophobicContact CG2-CB 4.01Å; H58-E60 PolarHBondContact O-N 3.26Å; E60-Q63 PolarHBondContact O-N 2.93Å; E60-I64 WeakPolarHBondContact O-CD1 3.26Å; E60-I64 WeakPolarHBondContact O-CG1 3.24Å; E60-I64 PolarHBondContact O-N 2.57Å
61V95.2Very high88.4Confident1 Ų144.5 Ų44.51%0.00623%0.228CC..Hα-helixtrans-63.3-45.8173.6168.70000110.8A20 T25 L28 H58 F59 Q63 I64 L65A20-V61 HydrophobicContact CB-CG1 3.95Å; T25-V61 HydrophobicContact CG2-CG2 3.96Å; L28-V61 HydrophobicContact CD1-CG1 3.93Å; H58-V61 HydrophobicContact CB-CB 3.94Å; H58-V61 HydrophobicContact CB-CG2 4Å; H58-V61 PolarHBondContact O-N 2.87Å; F59-V61 VanDerWaalsContact C-N 3.32Å; F59-V61 PolarHBondContact O-N 3.45Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.86Å; V61-I64 PolarHBondContact O-N 3.43Å; V61-L65 HydrophobicContact CG1-CD1 3.82Å; V61-L65 HydrophobicContact CG1-CG 4.43Å; V61-L65 WeakPolarHBondContact O-CG 3.28Å; V61-L65 PolarHBondContact O-N 2.86Å
62V92.9Very high87.8Confident0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-61.9-41.4178.3173.90000110.7L50 H58 F59 L66 I94 L97 L98L50-V62 HydrophobicContact CD1-CG1 3.98Å; H58-V62 WeakPolarHBondContact O-CG2 3.49Å; H58-V62 PolarHBondContact O-N 2.94Å; H58-V62 VanDerWaalsContact O-N 3.12Å; F59-V62 PolarHBondContact O-N 3.24Å; F59-V62 VanDerWaalsContact O-N 3.14Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.2Å; V62-L66 PolarHBondContact O-N 2.89Å; V62-L66 VanDerWaalsContact O-N 3.09Å; V62-I94 HydrophobicContact CB-CG2 4.48Å; V62-I94 HydrophobicContact CG1-CG2 4.22Å; V62-I94 HydrophobicContact CG2-CG2 4Å; V62-L97 HydrophobicContact CB-CD2 4.23Å; V62-L97 HydrophobicContact CG1-CD2 3.8Å; V62-L97 HydrophobicContact CG1-CG 4.47Å; V62-L98 HydrophobicContact CG1-CD1 4.41Å; V62-L98 HydrophobicContact CG1-CD2 3.61Å; V62-L98 HydrophobicContact CG1-CG 3.83Å
63Q83.9Confident87.2Confident74 Ų7450 Ų5035%0.34626%0.26SS..Hα-helixtrans-62.1-49.4176.5-172-177.9-42.700111.7F59 E60 V61 L65 L66 E67 L97F59-Q63 PolarHBondContact O-N 3.29Å; E60-Q63 PolarHBondContact O-N 2.93Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 2.86Å; Q63-L65 VanDerWaalsContact C-N 3.35Å; Q63-L65 PolarHBondContact O-N 2.95Å; Q63-L66 PolarHBondContact O-N 2.63Å; Q63-E67 HydrophobicContact CG-CG 4.48Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 3.41Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.89Å; Q63-L97 HydrophobicContact CB-CD2 3.9Å
64I85.4Confident86.7Confident11 Ų1151.5 Ų51.56%0.05627%0.27CS..Hα-helixtrans-58.6-46.8178.9-68.2159.9000110.8T25 L28 K29 E60 V61 L66 E67 E68T25-I64 HydrophobicContact CG2-CD1 3.71Å; L28-I64 HydrophobicContact CD2-CB 4.24Å; L28-I64 HydrophobicContact CD2-CG2 3.59Å; K29-I64 HydrophobicContact CD-CD1 4.39Å; K29-I64 VanDerWaalsContact CE-CD1 3.47Å; K29-I64 HydrophobicContact CG-CD1 4.44Å; K29-I64 HydrophobicContact CG-CG2 3.9Å; E60-I64 WeakPolarHBondContact O-CD1 3.26Å; E60-I64 WeakPolarHBondContact O-CG1 3.24Å; E60-I64 PolarHBondContact O-N 2.57Å; V61-I64 PolarHBondContact O-N 3.43Å; I64-L66 VanDerWaalsContact C-N 3.29Å; I64-L66 PolarHBondContact O-N 3.41Å; I64-E67 PolarHBondContact O-N 3.39Å; I64-E68 HydrophobicContact CG2-CG 4.29Å; I64-E68 WeakPolarHBondContact O-CB 3.24Å; I64-E68 VanDerWaalsContact O-CG 3.3Å; I64-E68 WeakPolarHBondContact O-CG 3.43Å; I64-E68 PolarHBondContact O-N 3.24Å
65L87.7Confident86.5Confident1 Ų155 Ų551%0.00529%0.291CS..Hα-helixtrans-62.7-36.8-179.8-71.4169.6000112.2L28 L32 I39 A49 L50 V61 Q63 G69 C70L28-L65 HydrophobicContact CD1-CD1 4.5Å; L28-L65 HydrophobicContact CD1-CD2 4.28Å; L28-L65 HydrophobicContact CD1-CG 4.46Å; L28-L65 HydrophobicContact CD2-CD2 4.14Å; L28-L65 HydrophobicContact CD2-CG 4.27Å; L32-L65 HydrophobicContact CD1-CD2 3.88Å; I39-L65 HydrophobicContact CG1-CD2 4.41Å; A49-L65 HydrophobicContact CB-CD1 3.95Å; A49-L65 HydrophobicContact CB-CD2 4.25Å; L50-L65 HydrophobicContact CB-CD1 4.29Å; L50-L65 HydrophobicContact CD1-CB 3.93Å; L50-L65 HydrophobicContact CD1-CD1 4.21Å; V61-L65 HydrophobicContact CG1-CD1 3.82Å; V61-L65 HydrophobicContact CG1-CG 4.43Å; V61-L65 WeakPolarHBondContact O-CG 3.28Å; V61-L65 PolarHBondContact O-N 2.86Å; Q63-L65 VanDerWaalsContact C-N 3.35Å; Q63-L65 PolarHBondContact O-N 2.95Å; L65-G69 PolarHBondContact O-N 2.57Å; L65-C70 VanDerWaalsContact C-SG 3.53Å; L65-C70 HydrophobicContact CB-CB 4.35Å; L65-C70 VanDerWaalsContact O-CB 3.28Å; L65-C70 WeakPolarHBondContact O-CB 3.37Å; L65-C70 PolarHBondContact O-N 3.15Å; L65-C70 PolarHBondContact O-SG 3.16Å
66L82.7Confident86.4Confident27 Ų2750.4 Ų50.414%0.14127%0.274CS..Hα-helixtrans-69.3-40.3174.8-72.3174000112.4L50 V62 Q63 I64 E68 G69 L97 L98 A101L50-L66 HydrophobicContact CD1-CG 4.42Å; V62-L66 HydrophobicContact CG1-CD1 4.1Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.2Å; V62-L66 PolarHBondContact O-N 2.89Å; V62-L66 VanDerWaalsContact O-N 3.09Å; Q63-L66 PolarHBondContact O-N 2.63Å; I64-L66 VanDerWaalsContact C-N 3.29Å; I64-L66 PolarHBondContact O-N 3.41Å; L66-E68 VanDerWaalsContact C-N 3.33Å; L66-G69 PolarHBondContact O-N 2.97Å; L66-G69 VanDerWaalsContact O-N 3.16Å; L66-L97 HydrophobicContact CD1-CD1 4.37Å; L66-L97 HydrophobicContact CD1-CD2 4.23Å; L66-L97 HydrophobicContact CD1-CG 3.78Å; L66-L98 HydrophobicContact CD1-CD2 4.2Å; L66-L98 HydrophobicContact CD2-CD2 4.37Å; L66-A101 HydrophobicContact CD1-CB 3.95Å; L66-A101 HydrophobicContact CD2-CB 4.19Å; L66-A101 HydrophobicContact CG-CB 4.47Å
67E79.1Confident86.5Confident125 Ų12555 Ų5558%0.58429%0.291SS*.Hα-helixtrans-63-38.7175.7-73.8171.2-177.900111.8Q63 I64 G69Q63-E67 HydrophobicContact CG-CG 4.48Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 3.41Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.89Å; I64-E67 PolarHBondContact O-N 3.39Å; E67-G69 PolarHBondContact O-N 2.9Å
68E76.4Confident86.6Confident109 Ų10958.3 Ų58.351%0.50931%0.31SS..THydrogen-bonded Turntrans-77.70.4176-64.9-66.415500113.4I39 I64 L66I39-E68 HydrophobicContact CD1-CB 3.6Å; I39-E68 WeakPolarHBondContact CD1-O 3.17Å; I64-E68 HydrophobicContact CG2-CG 4.29Å; I64-E68 WeakPolarHBondContact O-CB 3.24Å; I64-E68 VanDerWaalsContact O-CG 3.3Å; I64-E68 WeakPolarHBondContact O-CG 3.43Å; I64-E68 PolarHBondContact O-N 3.24Å; L66-E68 VanDerWaalsContact C-N 3.33Å
69G73.9Confident86.5Confident55 Ų5566.1 Ų66.157%0.56734%0.338SS*.THydrogen-bonded Turntrans83.731.6170.700000115.7L65 L66 E67L65-G69 PolarHBondContact O-N 2.57Å; L66-G69 PolarHBondContact O-N 2.97Å; L66-G69 VanDerWaalsContact O-N 3.16Å; E67-G69 PolarHBondContact O-N 2.9Å
70C81.6Confident86.9Confident11 Ų1166.3 Ų66.37%0.07434%0.339CS..  trans-62.1149.4174.976.20000112.7I39 N40 L65 R72I39-C70 HydrophobicContact CD1-CB 3.86Å; I39-C70 HydrophobicContact CG1-CB 3.7Å; N40-C70 WeakPolarHBondContact OD1-CA 3.49Å; L65-C70 VanDerWaalsContact C-SG 3.53Å; L65-C70 HydrophobicContact CB-CB 4.35Å; L65-C70 VanDerWaalsContact O-CB 3.28Å; L65-C70 WeakPolarHBondContact O-CB 3.37Å; L65-C70 PolarHBondContact O-N 3.15Å; L65-C70 PolarHBondContact O-SG 3.16Å; C70-R72 PolarHBondContact O-N 3.3Å
71D77.8Confident87.4Confident68 Ų6862.2 Ų62.236%0.36432%0.322SS..  trans-81.2109.7173.3-176.7-0.7000110.3N40 S73 V74N40-D71 PolarHBondContact ND2-N 2.91Å; N40-D71 PolarHBondContact OD1-N 3.05Å; D71-S73 VanDerWaalsContact C-N 3.32Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 3.34Å; D71-S73 PolarHBondContact OD1-OG 2.83Å; D71-S73 PolarHBondContact OD2-OG 2.78Å; D71-V74 HydrophobicContact CB-CG2 4.06Å
72R85.4Confident87.4Confident80 Ų8062.2 Ų62.230%0.30232%0.323SS..THydrogen-bonded Turntrans-81.1-10.8-179.977-175.274.5162.218.8114.4L50 C70 V74 L98 A101L50-R72 HydrophobicContact CD2-CB 3.81Å; C70-R72 PolarHBondContact O-N 3.3Å; R72-V74 VanDerWaalsContact C-N 3.32Å; R72-L98 PolarHBondContact NH1-O 3.01Å; R72-A101 PolarHBondContact NH1-O 3.15Å; R72-A101 PolarHBondContact NH2-O 3.41Å
73S84.3Confident87.3Confident79 Ų7964.1 Ų64.155%0.55233%0.333SS*.THydrogen-bonded Turntrans-83.4-11.6-175.674.40000113D71 V75D71-S73 VanDerWaalsContact C-N 3.32Å; D71-S73 VanDerWaalsContact OD1-CB 3.31Å; D71-S73 WeakPolarHBondContact OD1-CB 3.37Å; D71-S73 PolarHBondContact OD1-N 3.34Å; D71-S73 PolarHBondContact OD1-OG 2.83Å; D71-S73 PolarHBondContact OD2-OG 2.78Å; S73-V75 PolarHBondContact O-N 3.24Å
74V87.2Confident87.5Confident33 Ų3363.6 Ų63.620%0.233%0.332CS..  trans-57.4137.3177.9179.60000109.8T42 T48 M51 D71 R72T42-V74 HydrophobicContact CG2-CG1 4.21Å; T48-V74 HydrophobicContact CG2-CB 4.07Å; T48-V74 HydrophobicContact CG2-CG1 3.62Å; T48-V74 HydrophobicContact CG2-CG2 4.47Å; M51-V74 HydrophobicContact CE-CB 4.4Å; M51-V74 HydrophobicContact CE-CG1 4.2Å; M51-V74 WeakPolarHBondContact CE-O 3.31Å; D71-V74 HydrophobicContact CB-CG2 4.06Å; R72-V74 VanDerWaalsContact C-N 3.32Å
75V93.4Very high88Confident73 Ų7363.2 Ų63.244%0.44233%0.33SS..  trans-116.3142.5176.9-65.10000111.2S73 Q80 T81S73-V75 PolarHBondContact O-N 3.24Å; V75-Q80 WeakPolarHBondContact CA-O 3.48Å; V75-T81 HydrophobicContact CG1-CG2 3.76Å
76N94.7Very high88.1Confident6 Ų663.2 Ų63.23%0.03233%0.33CS..  trans-76.5179.7172.769.313.8000111.6W47 M51 S78 R79 Q80W47-N76 HydrophobicContact CG-CB 4.47Å; W47-N76 PolarHBondContact NE1-ND2 2.79Å; M51-N76 HydrophobicContact CE-CB 4.42Å; M51-N76 HydrophobicContact SD-CB 3.98Å; N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 VanDerWaalsContact OD1-C 3.32Å; N76-S78 VanDerWaalsContact OD1-CA 3.29Å; N76-S78 WeakPolarHBondContact OD1-CA 3.19Å; N76-S78 WeakPolarHBondContact OD1-CB 3.27Å; N76-S78 PolarHBondContact OD1-N 3.37Å; N76-R79 WeakPolarHBondContact O-CA 3.26Å; N76-R79 PolarHBondContact O-N 3.44Å; N76-R79 PolarHBondContact OD1-N 3.09Å; N76-Q80 PolarHBondContact N-O 3.31Å; N76-Q80 VanDerWaalsContact N-O 3.08Å; N76-Q80 PolarHBondContact OD1-N 3.17Å
77K96.4Very high88.1Confident163 Ų16368 Ų6871%0.70935%0.35SS*.THydrogen-bonded Turntrans-59.2-20.9176.6-75.5-176.3178.8169.50114.3E44 N45 R79E44-K77 WeakPolarHBondContact O-CE 3.19Å; E44-K77 PolarHBondContact O-NZ 3.12Å; N45-K77 WeakPolarHBondContact O-CG 3.12Å; N45-K77 PolarHBondContact O-N 3.19Å; N45-K77 VanDerWaalsContact O-N 3.09Å; K77-R79 VanDerWaalsContact C-N 3.29Å
78S94.8Very high88.6Confident88 Ų8869.3 Ų69.362%0.61535%0.354SS*.THydrogen-bonded Turntrans-88.78.8174.1-56.80000113.2N76 Q80N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 VanDerWaalsContact OD1-C 3.32Å; N76-S78 VanDerWaalsContact OD1-CA 3.29Å; N76-S78 WeakPolarHBondContact OD1-CA 3.19Å; N76-S78 WeakPolarHBondContact OD1-CB 3.27Å; N76-S78 PolarHBondContact OD1-N 3.37Å; S78-Q80 VanDerWaalsContact C-N 3.28Å; S78-Q80 PolarHBondContact O-N 2.95Å
79R94.2Very high89Confident214 Ų21470 Ų7081%0.80835%0.352SS*.SBendtrans61.828.2-177.8-55.6-171.464.9175.3-0.4114.6N76 K77N76-R79 WeakPolarHBondContact O-CA 3.26Å; N76-R79 PolarHBondContact O-N 3.44Å; N76-R79 PolarHBondContact OD1-N 3.09Å; K77-R79 VanDerWaalsContact C-N 3.29Å
80Q93.4Very high89.1Confident60 Ų6069.6 Ų69.628%0.2835%0.348SS..  trans-101.3134.3178.6-60.1175.3-60.500111.2M51 V75 N76 S78 D84 I85M51-Q80 WeakPolarHBondContact CE-O 3.44Å; V75-Q80 WeakPolarHBondContact CA-O 3.48Å; N76-Q80 PolarHBondContact N-O 3.31Å; N76-Q80 VanDerWaalsContact N-O 3.08Å; N76-Q80 PolarHBondContact OD1-N 3.17Å; S78-Q80 VanDerWaalsContact C-N 3.28Å; S78-Q80 PolarHBondContact O-N 2.95Å; Q80-D84 HydrophobicContact CB-CB 4.17Å; Q80-I85 HydrophobicContact CB-CD1 4.49Å; Q80-I85 HydrophobicContact CB-CG1 4.13Å
81T95.1Very high89.2Confident28 Ų2872.4 Ų72.417%0.17236%0.357CS..  trans-81.3169.4166.565.30000111.2V75 L83 D84 I85V75-T81 HydrophobicContact CG1-CG2 3.76Å; T81-L83 PolarHBondContact O-N 2.97Å; T81-L83 PolarHBondContact OG1-N 3.29Å; T81-D84 WeakPolarHBondContact CB-OD2 3.4Å; T81-D84 PolarHBondContact N-OD2 2.84Å; T81-D84 PolarHBondContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.47Å; T81-D84 VanDerWaalsContact OG1-N 3.15Å; T81-D84 PolarHBondContact OG1-OD2 2.7Å; T81-I85 WeakPolarHBondContact O-CG1 3.4Å; T81-I85 PolarHBondContact O-N 3.45Å; T81-I85 VanDerWaalsContact O-N 3.12Å
82A94.9Very high88.7Confident2 Ų276.7 Ų76.72%0.01737%0.373CS..Hα-helixtrans-58.9-32.4170.700000112.4L50 M51 A54 A86 L98L50-A82 HydrophobicContact CB-CB 4.36Å; L50-A82 HydrophobicContact CD2-CB 3.76Å; L50-A82 HydrophobicContact CG-CB 3.72Å; M51-A82 HydrophobicContact CG-CB 4.06Å; A54-A82 HydrophobicContact CB-CB 4.19Å; A54-A82 WeakPolarHBondContact CB-O 3.02Å; A82-A86 WeakPolarHBondContact O-CB 3.23Å; A82-A86 PolarHBondContact O-N 2.87Å; A82-L98 HydrophobicContact CB-CD1 4Å; A82-L98 HydrophobicContact CB-CD2 4.29Å; A82-L98 WeakPolarHBondContact O-CD1 3.18Å
83L90.7Very high87.7Confident40 Ų4077.3 Ų77.321%0.20938%0.379CS..Hα-helixtrans-67.4-44.1176.1176.459.5000111.6T81 I85 A86 K87 A95 L98 A99T81-L83 PolarHBondContact O-N 2.97Å; T81-L83 PolarHBondContact OG1-N 3.29Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 3.01Å; L83-A86 PolarHBondContact O-N 3.46Å; L83-K87 HydrophobicContact CD1-CD 4.41Å; L83-K87 HydrophobicContact CD1-CG 4.32Å; L83-K87 HydrophobicContact CG-CD 4.37Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.27Å; L83-A95 HydrophobicContact CD1-CB 3.9Å; L83-A95 VanDerWaalsContact CD1-O 3.23Å; L83-A95 WeakPolarHBondContact CD1-O 3.39Å; L83-L98 HydrophobicContact CB-CB 4.36Å; L83-L98 HydrophobicContact CD1-CB 4.2Å; L83-A99 HydrophobicContact CD1-CB 4.48Å
84D89.4Confident87.5Confident63 Ų6373.6 Ų73.634%0.33735%0.352SS..Hα-helixtrans-62.1-39.9178.1-59.3-45.9000111.1Q80 T81 K87 F88Q80-D84 HydrophobicContact CB-CB 4.17Å; T81-D84 WeakPolarHBondContact CB-OD2 3.4Å; T81-D84 PolarHBondContact N-OD2 2.84Å; T81-D84 PolarHBondContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.47Å; T81-D84 VanDerWaalsContact OG1-N 3.15Å; T81-D84 PolarHBondContact OG1-OD2 2.7Å; D84-K87 PolarHBondContact O-N 3.33Å; D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.47Å; D84-F88 PolarHBondContact O-N 3.39Å
85I95.8Very high87Confident3 Ų372.4 Ų72.42%0.01535%0.346CS..Hα-helixtrans-63.2-50.1175.1-66.7165.1000110W47 M51 A54 R55 Q80 T81 L83 K87 F88 W89W47-I85 HydrophobicContact CH2-CD1 3.67Å; W47-I85 HydrophobicContact CH2-CG1 4.31Å; W47-I85 HydrophobicContact CH2-CG2 4.32Å; W47-I85 HydrophobicContact CZ2-CD1 4.06Å; W47-I85 HydrophobicContact CZ3-CD1 3.99Å; M51-I85 HydrophobicContact CB-CD1 3.69Å; M51-I85 HydrophobicContact CG-CD1 3.74Å; M51-I85 HydrophobicContact SD-CD1 4.13Å; A54-I85 HydrophobicContact CB-CG2 4.41Å; R55-I85 HydrophobicContact CB-CG2 3.71Å; Q80-I85 HydrophobicContact CB-CD1 4.49Å; Q80-I85 HydrophobicContact CB-CG1 4.13Å; T81-I85 WeakPolarHBondContact O-CG1 3.4Å; T81-I85 PolarHBondContact O-N 3.45Å; T81-I85 VanDerWaalsContact O-N 3.12Å; L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 PolarHBondContact O-N 3.01Å; I85-K87 VanDerWaalsContact C-N 3.3Å; I85-K87 PolarHBondContact O-N 2.6Å; I85-F88 PolarHBondContact O-N 3.45Å; I85-W89 VanDerWaalsContact O-CD1 3.23Å; I85-W89 PolarHBondContact O-N 2.91Å
86A89.5Confident85.7Confident0 Ų073.1 Ų73.10%035%0.348CS..Hα-helixtrans-59.3-40178.800000112.6A54 A82 L83 G90 Y91 I94 A95 L98A54-A86 HydrophobicContact CB-CB 4.29Å; A82-A86 WeakPolarHBondContact O-CB 3.23Å; A82-A86 PolarHBondContact O-N 2.87Å; L83-A86 PolarHBondContact O-N 3.46Å; A86-G90 PolarHBondContact O-N 3.3Å; A86-G90 VanDerWaalsContact O-N 3.15Å; A86-Y91 PolarHBondContact O-N 2.8Å; A86-I94 HydrophobicContact CB-CB 4.35Å; A86-I94 HydrophobicContact CB-CG2 3.78Å; A86-A95 HydrophobicContact CB-CB 4.04Å; A86-L98 HydrophobicContact CB-CD1 4.07Å
87K82.3Confident84.7Confident128 Ų12874.7 Ų74.756%0.55736%0.356SS*.Hα-helixtrans-64.8-46.2174.8-75.4179176.6177.10111.8L83 D84 I85 W89 G90 A95L83-K87 HydrophobicContact CD1-CD 4.41Å; L83-K87 HydrophobicContact CD1-CG 4.32Å; L83-K87 HydrophobicContact CG-CD 4.37Å; L83-K87 WeakPolarHBondContact O-CG 3.44Å; L83-K87 PolarHBondContact O-N 3.27Å; D84-K87 PolarHBondContact O-N 3.33Å; I85-K87 VanDerWaalsContact C-N 3.3Å; I85-K87 PolarHBondContact O-N 2.6Å; K87-W89 VanDerWaalsContact C-N 3.33Å; K87-W89 PolarHBondContact O-N 2.82Å; K87-G90 PolarHBondContact O-N 3.02Å; K87-G90 VanDerWaalsContact O-N 3.15Å; K87-A95 HydrophobicContact CG-CB 4.13Å
88F89.4Confident83.8Confident152 Ų15267.1 Ų67.167%0.66732%0.323SS*.Hα-helixtrans-60.2-41.4-179.7178.9-93.6000112.4D84 I85 G90D84-F88 VanDerWaalsContact O-CB 3.29Å; D84-F88 WeakPolarHBondContact O-CB 3.47Å; D84-F88 PolarHBondContact O-N 3.39Å; I85-F88 PolarHBondContact O-N 3.45Å; F88-G90 VanDerWaalsContact C-N 3.32Å
89W85.1Confident82.5Confident125 Ų12564.2 Ų64.247%0.47330%0.304SS..THydrogen-bonded Turntrans-85-1.6178.6-69.897000114.1I85 K87 Y91I85-W89 VanDerWaalsContact O-CD1 3.23Å; I85-W89 PolarHBondContact O-N 2.91Å; K87-W89 VanDerWaalsContact C-N 3.33Å; K87-W89 PolarHBondContact O-N 2.82Å; W89-Y91 HydrophobicContact CB-CD2 3.76Å; W89-Y91 HydrophobicContact CB-CE2 3.54Å; W89-Y91 HydrophobicContact CG-CE2 4.33Å
90G76.3Confident80.9Confident46 Ų4657 Ų5747%0.47428%0.282SS..THydrogen-bonded Turntrans79.612.617500000115.7A86 K87 F88 K92A86-G90 PolarHBondContact O-N 3.3Å; A86-G90 VanDerWaalsContact O-N 3.15Å; K87-G90 PolarHBondContact O-N 3.02Å; K87-G90 VanDerWaalsContact O-N 3.15Å; F88-G90 VanDerWaalsContact C-N 3.32Å; G90-K92 VanDerWaalsContact C-N 3.33Å; G90-K92 PolarHBondContact O-N 3.3Å
91Y82.3Confident79.1Confident70 Ų7055.3 Ų55.328%0.27528%0.278SS..  trans-80.177.5178.7-56.8-52.4000111.7A54 R55 A86 W89 H93 I94 A95A54-Y91 WeakPolarHBondContact O-CD2 3.39Å; R55-Y91 VanDerWaalsContact O-CE2 3.3Å; R55-Y91 WeakPolarHBondContact O-CE2 3.49Å; A86-Y91 PolarHBondContact O-N 2.8Å; W89-Y91 HydrophobicContact CB-CD2 3.76Å; W89-Y91 HydrophobicContact CB-CE2 3.54Å; W89-Y91 HydrophobicContact CG-CE2 4.33Å; Y91-H93 VanDerWaalsContact C-N 3.33Å; Y91-H93 PolarHBondContact O-N 3.33Å; Y91-I94 HydrophobicContact CG-CD1 4.38Å; Y91-I94 PolarHBondContact O-N 3.43Å; Y91-A95 PolarHBondContact O-N 2.8Å
92K67.5Low77Confident158 Ų15864.1 Ų64.169%0.68731%0.314SS*.Hα-helixtrans-56.8-41-174.3-61.5-177.9-177.1177.70113.8G90 A95 N96G90-K92 VanDerWaalsContact C-N 3.33Å; G90-K92 PolarHBondContact O-N 3.3Å; K92-A95 PolarHBondContact O-N 3.49Å; K92-N96 WeakPolarHBondContact O-CB 3.35Å; K92-N96 PolarHBondContact O-N 2.62Å; K92-N96 PolarHBondContact O-ND2 2.78Å; K92-N96 PolarHBondContact O-OD1 3.5Å
93H64.4Low75Confident93 Ų9367.7 Ų67.743%0.43135%0.351SS..Hα-helixtrans-65.5-40.1179.954.3-79000112F59 Y91 L97F59-H93 HydrophobicContact CD2-CB 4.46Å; F59-H93 AromaticContact CD2-CD2 3.58Å; Y91-H93 VanDerWaalsContact C-N 3.33Å; Y91-H93 PolarHBondContact O-N 3.33Å; H93-L97 WeakPolarHBondContact O-CB 3.23Å; H93-L97 PolarHBondContact O-N 2.96Å
94I79.9Confident72.4Confident0 Ų067.6 Ų67.60%036%0.36CS..Hα-helixtrans-70.2-42.6173.2-70.7166.4000111.4A54 G57 F59 V62 A86 Y91 N96 L97 L98A54-I94 HydrophobicContact CB-CG2 4.21Å; G57-I94 VanDerWaalsContact CA-CD1 3.43Å; F59-I94 HydrophobicContact CB-CD1 4.45Å; F59-I94 HydrophobicContact CB-CG1 4.06Å; F59-I94 HydrophobicContact CD2-CG1 3.93Å; F59-I94 HydrophobicContact CG-CG1 4.49Å; V62-I94 HydrophobicContact CB-CG2 4.48Å; V62-I94 HydrophobicContact CG1-CG2 4.22Å; V62-I94 HydrophobicContact CG2-CG2 4Å; A86-I94 HydrophobicContact CB-CB 4.35Å; A86-I94 HydrophobicContact CB-CG2 3.78Å; Y91-I94 HydrophobicContact CG-CD1 4.38Å; Y91-I94 PolarHBondContact O-N 3.43Å; I94-N96 VanDerWaalsContact C-N 3.28Å; I94-N96 PolarHBondContact O-N 2.84Å; I94-L97 PolarHBondContact O-N 3.45Å; I94-L98 HydrophobicContact CG2-CD1 3.65Å; I94-L98 HydrophobicContact CG2-CG 4.21Å; I94-L98 WeakPolarHBondContact O-CB 3.09Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 2.71Å
95A78.3Confident70.2Confident9 Ų972.8 Ų72.87%0.07438%0.382CS..Hα-helixtrans-59.6-41.6176.500000111.3L83 A86 K87 Y91 K92 A99L83-A95 HydrophobicContact CD1-CB 3.9Å; L83-A95 VanDerWaalsContact CD1-O 3.23Å; L83-A95 WeakPolarHBondContact CD1-O 3.39Å; A86-A95 HydrophobicContact CB-CB 4.04Å; K87-A95 HydrophobicContact CG-CB 4.13Å; Y91-A95 PolarHBondContact O-N 2.8Å; K92-A95 PolarHBondContact O-N 3.49Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.25Å; A95-A99 PolarHBondContact O-N 3.32Å
96N65.3Low67.7Low88 Ų8876.2 Ų76.247%0.47140%0.395SS..Hα-helixtrans-63.4-45.8174-70-14.2000111.5K92 I94 L98 A99 N100K92-N96 WeakPolarHBondContact O-CB 3.35Å; K92-N96 PolarHBondContact O-N 2.62Å; K92-N96 PolarHBondContact O-ND2 2.78Å; K92-N96 PolarHBondContact O-OD1 3.5Å; I94-N96 VanDerWaalsContact C-N 3.28Å; I94-N96 PolarHBondContact O-N 2.84Å; N96-L98 PolarHBondContact O-N 3.45Å; N96-A99 PolarHBondContact O-N 2.92Å; N96-N100 WeakPolarHBondContact O-CB 3.4Å; N96-N100 PolarHBondContact O-N 3.34Å; N96-N100 PolarHBondContact O-ND2 3.38Å
97L73Confident65.9Low39 Ų3977 Ų7720%0.20440%0.4CS..Hα-helixtrans-59.7-46.1178-178.566.3000112.1F59 V62 Q63 L66 H93 I94 A99 N100 A101F59-L97 HydrophobicContact CD2-CD2 3.9Å; F59-L97 HydrophobicContact CE1-CD2 4.45Å; F59-L97 HydrophobicContact CE2-CB 3.85Å; F59-L97 HydrophobicContact CE2-CD1 4.48Å; F59-L97 HydrophobicContact CE2-CD2 3.57Å; F59-L97 HydrophobicContact CE2-CG 4.16Å; F59-L97 HydrophobicContact CZ-CD1 4.36Å; F59-L97 HydrophobicContact CZ-CD2 3.87Å; F59-L97 HydrophobicContact CZ-CG 4.48Å; V62-L97 HydrophobicContact CB-CD2 4.23Å; V62-L97 HydrophobicContact CG1-CD2 3.8Å; V62-L97 HydrophobicContact CG1-CG 4.47Å; Q63-L97 HydrophobicContact CB-CD2 3.9Å; L66-L97 HydrophobicContact CD1-CD1 4.37Å; L66-L97 HydrophobicContact CD1-CD2 4.23Å; L66-L97 HydrophobicContact CD1-CG 3.78Å; H93-L97 WeakPolarHBondContact O-CB 3.23Å; H93-L97 PolarHBondContact O-N 2.96Å; I94-L97 PolarHBondContact O-N 3.45Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.01Å; L97-N100 PolarHBondContact O-N 2.82Å; L97-A101 PolarHBondContact O-N 3.15Å
98L78.3Confident64.3Low4 Ų477.8 Ų77.82%0.02142%0.415CS..Hα-helixtrans-66.4-35.3178.4-72.1169.7000112.7L50 A54 V62 L66 R72 A82 L83 A86 I94 N96L50-L98 HydrophobicContact CD1-CD2 3.87Å; L50-L98 HydrophobicContact CD2-CD2 3.89Å; L50-L98 HydrophobicContact CG-CD2 4Å; A54-L98 HydrophobicContact CB-CD1 4.14Å; V62-L98 HydrophobicContact CG1-CD1 4.41Å; V62-L98 HydrophobicContact CG1-CD2 3.61Å; V62-L98 HydrophobicContact CG1-CG 3.83Å; L66-L98 HydrophobicContact CD1-CD2 4.2Å; L66-L98 HydrophobicContact CD2-CD2 4.37Å; R72-L98 PolarHBondContact NH1-O 3.01Å; A82-L98 HydrophobicContact CB-CD1 4Å; A82-L98 HydrophobicContact CB-CD2 4.29Å; A82-L98 WeakPolarHBondContact O-CD1 3.18Å; L83-L98 HydrophobicContact CB-CB 4.36Å; L83-L98 HydrophobicContact CD1-CB 4.2Å; A86-L98 HydrophobicContact CB-CD1 4.07Å; I94-L98 HydrophobicContact CG2-CD1 3.65Å; I94-L98 HydrophobicContact CG2-CG 4.21Å; I94-L98 WeakPolarHBondContact O-CB 3.09Å; I94-L98 WeakPolarHBondContact O-CG 3.4Å; I94-L98 PolarHBondContact O-N 2.71Å; N96-L98 PolarHBondContact O-N 3.45Å
99A66.9Low62.7Low27 Ų2772.5 Ų72.522%0.22339%0.392CS..Hα-helixtrans-70-36173.800000112.1L83 A95 N96 L97 G104L83-A99 HydrophobicContact CD1-CB 4.48Å; A95-A99 VanDerWaalsContact O-CB 3.25Å; A95-A99 WeakPolarHBondContact O-CB 3.25Å; A95-A99 PolarHBondContact O-N 3.32Å; N96-A99 PolarHBondContact O-N 2.92Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.01Å; A99-G104 WeakPolarHBondContact O-CA 3.37Å; A99-G104 PolarHBondContact O-N 2.85Å
100N61Low61.3Low63 Ų6366.8 Ų66.834%0.33737%0.371SS..Hα-helixtrans-97.8-10.8-165.6-68.2-25.7000115.8N96 L97 K102N96-N100 WeakPolarHBondContact O-CB 3.4Å; N96-N100 PolarHBondContact O-N 3.34Å; N96-N100 PolarHBondContact O-ND2 3.38Å; L97-N100 PolarHBondContact O-N 2.82Å; N100-K102 PolarHBondContact O-N 3.34Å
101A56.2Low60.3Low24 Ų2466.9 Ų66.920%0.19836%0.363CS..THydrogen-bonded Turntrans-64104.3178.100000109.6L66 R72 L97L66-A101 HydrophobicContact CD1-CB 3.95Å; L66-A101 HydrophobicContact CD2-CB 4.19Å; L66-A101 HydrophobicContact CG-CB 4.47Å; R72-A101 PolarHBondContact NH1-O 3.15Å; R72-A101 PolarHBondContact NH2-O 3.41Å; L97-A101 PolarHBondContact O-N 3.15Å
102K50Low58.9Low212 Ų21270.4 Ų70.492%0.92239%0.387SS*.THydrogen-bonded Turntrans45.972.2-178-63.5-169.9177.8-176.60114.9N100N100-K102 PolarHBondContact O-N 3.34Å
103G54.2Low58.3Low78 Ų7869.4 Ų69.480%0.80439%0.385SS*.SBendtrans91.886.4162.700000114.5
104G34.6Very low57.9Low38 Ų3871.6 Ų71.639%0.39240%0.404SS..  trans-160.6167.4167.400000112.1A99A99-G104 WeakPolarHBondContact O-CA 3.37Å; A99-G104 PolarHBondContact O-N 2.85Å
105E44.8Very low56.9Low172 Ų17277 Ų7780%0.80443%0.428SS*.PPolyproline II helixtrans-57.6158.2-149.6-67.6-179.5152.800118.6
106R42.6Very low56Low74 Ų7485.4 Ų85.428%0.27947%0.465SS..PPolyproline II helixtrans-46.7130.7-177.8-169.8179.6-167.5-166.3-2114.4V108 L110 P111 N112R106-V108 PolarHBondContact O-N 3.17Å; R106-L110 HydrophobicContact CG-CB 3.99Å; R106-L110 HydrophobicContact CG-CD1 3.79Å; R106-L110 HydrophobicContact CG-CG 4.46Å; R106-L110 VanDerWaalsContact NE-CB 3.35Å; R106-P111 PolarHBondContact NH1-O 3.47Å; R106-P111 PolarHBondContact NH2-O 2.85Å; R106-N112 VanDerWaalsContact NH1-CA 3.35Å; R106-N112 PolarHBondContact NH1-OD1 3.32Å
107P51Low56.2Low18 Ų1885.3 Ų85.312%0.11746%0.459CS..PPolyproline II helixtrans-54.5135.2172.4-25.630.1000113.5F109 L110 H383 V405P107-F109 HydrophobicContact CB-CD1 3.92Å; P107-F109 HydrophobicContact CB-CE1 3.47Å; P107-F109 VanDerWaalsContact CB-CE1 3.47Å; P107-F109 HydrophobicContact CB-CE2 4.4Å; P107-F109 HydrophobicContact CB-CZ 3.75Å; P107-F109 HydrophobicContact CG-CE1 4.43Å; P107-F109 HydrophobicContact CG-CZ 4.38Å; P107-F109 PolarHBondContact O-N 2.97Å; P107-F109 VanDerWaalsContact O-N 3.08Å; P107-L110 HydrophobicContact CB-CD1 4.27Å; P107-L110 HydrophobicContact CB-CG 4.25Å; P107-L110 HydrophobicContact CG-CD1 4.09Å; P107-L110 WeakPolarHBondContact O-CB 3.4Å; P107-L110 PolarHBondContact O-N 2.81Å; P107-H383 HydrophobicContact CG-CB 4.14Å; P107-V405 HydrophobicContact CG-CG2 4.08Å
108V48.5Very low56.1Low143 Ų14390.6 Ų90.687%0.86748%0.483SS*.THydrogen-bonded Turntrans-60.5-24-171.5-176.90000114R106 L110R106-V108 PolarHBondContact O-N 3.17Å; V108-L110 VanDerWaalsContact C-N 3.32Å
109F57.1Low56.5Low41 Ų4190.9 Ų90.918%0.1848%0.484CS..THydrogen-bonded Turntrans-80.5-9.9177.762-98.7000113.6P107 I332 V405 M460P107-F109 HydrophobicContact CB-CD1 3.92Å; P107-F109 HydrophobicContact CB-CE1 3.47Å; P107-F109 VanDerWaalsContact CB-CE1 3.47Å; P107-F109 HydrophobicContact CB-CE2 4.4Å; P107-F109 HydrophobicContact CB-CZ 3.75Å; P107-F109 HydrophobicContact CG-CE1 4.43Å; P107-F109 HydrophobicContact CG-CZ 4.38Å; P107-F109 PolarHBondContact O-N 2.97Å; P107-F109 VanDerWaalsContact O-N 3.08Å; F109-I332 HydrophobicContact CE2-CD1 3.89Å; F109-I332 HydrophobicContact CE2-CG2 4.46Å; F109-V405 HydrophobicContact CE2-CG2 4.28Å; F109-V405 HydrophobicContact CZ-CG1 4.37Å; F109-V405 HydrophobicContact CZ-CG2 3.79Å; F109-M460 HydrophobicContact CD2-CE 3.98Å; F109-M460 HydrophobicContact CE2-CE 4.46Å; F109-M460 WeakPolarHBondContact O-CE 3.04Å
110L54.7Low57.6Low5 Ų590 Ų903%0.02648%0.475CS..SBendtrans-81.8128174.5-60.4177.8000109.7R106 P107 V108 I332 H383 Q385 L403 M460R106-L110 HydrophobicContact CG-CB 3.99Å; R106-L110 HydrophobicContact CG-CD1 3.79Å; R106-L110 HydrophobicContact CG-CG 4.46Å; R106-L110 VanDerWaalsContact NE-CB 3.35Å; P107-L110 HydrophobicContact CB-CD1 4.27Å; P107-L110 HydrophobicContact CB-CG 4.25Å; P107-L110 HydrophobicContact CG-CD1 4.09Å; P107-L110 WeakPolarHBondContact O-CB 3.4Å; P107-L110 PolarHBondContact O-N 2.81Å; V108-L110 VanDerWaalsContact C-N 3.32Å; L110-I332 HydrophobicContact CD2-CD1 4.4Å; L110-H383 WeakPolarHBondContact CD1-CD2 3.23Å; L110-H383 VanDerWaalsContact CD1-NE2 3.33Å; L110-H383 WeakPolarHBondContact CD1-NE2 3.33Å; L110-Q385 HydrophobicContact CD1-CB 4.35Å; L110-L403 HydrophobicContact CD2-CB 4.47Å; L110-L403 HydrophobicContact CD2-CD1 3.78Å; L110-M460 HydrophobicContact CB-CE 4.48Å; L110-M460 HydrophobicContact CD2-CE 3.3Å; L110-M460 HydrophobicContact CG-CE 4.33Å
111P56.1Low59.2Low49 Ų4987.4 Ų87.432%0.31846%0.461SS..  trans-71.7131-17326-33.6000113.5R106 E113R106-P111 PolarHBondContact NH1-O 3.47Å; R106-P111 PolarHBondContact NH2-O 2.85Å; P111-E113 PolarHBondContact O-N 3.05Å
112N52Low60.7Low143 Ų14388.3 Ų88.377%0.76547%0.473SS*.SBendtrans-66.7-14.6175.4-78.2-16.1000114.9R106 V114R106-N112 VanDerWaalsContact NH1-CA 3.35Å; R106-N112 PolarHBondContact NH1-OD1 3.32Å; N112-V114 PolarHBondContact O-N 3.44Å
113E56.1Low62.5Low138 Ų13879.3 Ų79.365%0.64543%0.434SS*.  trans-74.2118.7178.1-67.4-179.4-179.500111.2P111 K115P111-E113 PolarHBondContact O-N 3.05Å; E113-K115 PolarHBondContact O-N 2.99Å; E113-K115 VanDerWaalsContact O-N 3.15Å; E113-K115 VanDerWaalsContact OE2-CE 3.24Å; E113-K115 WeakPolarHBondContact OE2-CE 3.11Å; E113-K115 IonicContact OE2-NZ 3.34Å
114V55Low63.9Low138 Ų13877.6 Ų77.684%0.83641%0.408SS*.  trans-75.797.1163.8-177.70000107N112N112-V114 PolarHBondContact O-N 3.44Å
115K59.1Low66.4Low115 Ų11577.9 Ų77.950%0.540%0.401SS..  trans-88.5120.6166-75.5-177.2-179.1173.10108.1E113 Y117E113-K115 PolarHBondContact O-N 2.99Å; E113-K115 VanDerWaalsContact O-N 3.15Å; E113-K115 VanDerWaalsContact OE2-CE 3.24Å; E113-K115 WeakPolarHBondContact OE2-CE 3.11Å; E113-K115 IonicContact OE2-NZ 3.34Å; K115-Y117 HydrophobicContact CB-CD2 4.31Å; K115-Y117 HydrophobicContact CB-CE1 4.44Å; K115-Y117 HydrophobicContact CB-CE2 3.65Å; K115-Y117 WeakPolarHBondContact O-CD2 3.43Å; K115-Y117 WeakPolarHBondContact O-CE2 3.18Å; K115-Y117 PolarHBondContact O-N 3.45Å
116E60.2Low68.5Low184 Ų18469.9 Ų69.986%0.8636%0.363SS*.  trans-70.6114.3169.5-70.1-175.917000108.5
117Y68.5Low70.7Confident86 Ų8669.5 Ų69.534%0.33737%0.367SS..  trans-101.7108.3173.1-62.5-83.6000108.6K115 N119 V387 C388 H456K115-Y117 HydrophobicContact CB-CD2 4.31Å; K115-Y117 HydrophobicContact CB-CE1 4.44Å; K115-Y117 HydrophobicContact CB-CE2 3.65Å; K115-Y117 WeakPolarHBondContact O-CD2 3.43Å; K115-Y117 WeakPolarHBondContact O-CE2 3.18Å; K115-Y117 PolarHBondContact O-N 3.45Å; Y117-N119 PolarHBondContact O-N 3.25Å; Y117-V387 HydrophobicContact CD2-CG1 4.07Å; Y117-V387 HydrophobicContact CE2-CG1 4.13Å; Y117-C388 HydrophobicContact CD2-CB 4.47Å; Y117-H456 AromaticContact CZ-ND1 3.89Å; Y117-H456 PolarHBondContact OH-CE1 3.18Å; Y117-H456 VanDerWaalsContact OH-CE1 3.3Å; Y117-H456 PolarHBondContact OH-ND1 3.48Å; Y117-H456 VanDerWaalsContact OH-ND1 3.17Å
118E71.5Confident72.8Confident151 Ų15174.4 Ų74.471%0.70638%0.383SS*.  trans-77.9108166.5-67.2-16715000109.1I123E118-I123 HydrophobicContact CB-CD1 4Å; E118-I123 HydrophobicContact CB-CG1 3.84Å
119N86.6Confident74.9Confident10 Ų1071.4 Ų71.45%0.05336%0.356CS..  trans-84.2158.1176.3-69.7-50.7000111.8Y117 G122 C388 C389 Q390Y117-N119 PolarHBondContact O-N 3.25Å; N119-G122 WeakPolarHBondContact O-CA 3.25Å; N119-G122 PolarHBondContact O-N 2.87Å; N119-C388 WeakPolarHBondContact ND2-CB 3.5Å; N119-C388 PolarHBondContact ND2-SG 2.95Å; N119-C389 WeakPolarHBondContact CB-O 3.46Å; N119-C389 PolarHBondContact ND2-O 2.82Å; N119-Q390 HydrophobicContact CB-CB 3.9Å; N119-Q390 HydrophobicContact CB-CG 4.47Å
120Y90.8Very high76.6Confident9 Ų973 Ų734%0.03537%0.372CS..THydrogen-bonded Turntrans-48.2144.6169.1-163-95.6000111.3G122 L259 L260 L262 E264 A267 Q390 R447Y120-G122 PolarHBondContact O-N 2.99Å; Y120-G122 VanDerWaalsContact O-N 3.16Å; Y120-L259 PolarHBondContact OH-O 3.21Å; Y120-L260 HydrophobicContact CD1-CD2 3.7Å; Y120-L260 HydrophobicContact CE1-CD2 3.67Å; Y120-L262 WeakPolarHBondContact CE2-O 3.29Å; Y120-L262 VanDerWaalsContact OH-C 3.31Å; Y120-L262 PolarHBondContact OH-N 3.44Å; Y120-L262 PolarHBondContact OH-O 3.16Å; Y120-E264 HydrophobicContact CD2-CB 4.08Å; Y120-E264 HydrophobicContact CD2-CG 3.75Å; Y120-E264 HydrophobicContact CE2-CB 4.2Å; Y120-E264 HydrophobicContact CE2-CG 3.89Å; Y120-A267 HydrophobicContact CD1-CB 4.15Å; Y120-A267 HydrophobicContact CE1-CB 3.43Å; Y120-A267 VanDerWaalsContact CE1-CB 3.43Å; Y120-A267 HydrophobicContact CE2-CB 4Å; Y120-A267 WeakPolarHBondContact OH-CB 3.46Å; Y120-Q390 WeakPolarHBondContact O-CG 3.41Å; Y120-Q390 PolarHBondContact O-NE2 2.75Å; Y120-R447 WeakPolarHBondContact CB-O 3.23Å; Y120-R447 HydrophobicContact CD1-CB 4.36Å; Y120-R447 HydrophobicContact CD2-CB 4.1Å; Y120-R447 HydrophobicContact CD2-CG 3.81Å; Y120-R447 VanDerWaalsContact CE2-CD 3.46Å; Y120-R447 HydrophobicContact CE2-CG 4.14Å; Y120-R447 HydrophobicContact CG-CB 3.96Å; Y120-R447 HydrophobicContact CG-CG 4.2Å
121F93.4Very high78.4Confident7 Ų777.3 Ų77.33%0.03140%0.396CS..THydrogen-bonded Turntrans67-16-166.9-58.3-51.3000116.7L259 L260 A267 G268 A271 P391 W392 P393F121-L259 HydrophobicContact CE1-CB 4.18Å; F121-L259 HydrophobicContact CZ-CB 3.77Å; F121-L260 HydrophobicContact CE2-CD2 3.86Å; F121-L260 HydrophobicContact CZ-CD2 4.03Å; F121-A267 HydrophobicContact CD1-CB 3.52Å; F121-A267 VanDerWaalsContact CD1-O 3.32Å; F121-A267 WeakPolarHBondContact CD1-O 3.23Å; F121-A267 HydrophobicContact CE1-CB 3.65Å; F121-G268 WeakPolarHBondContact O-CA 2.99Å; F121-A271 HydrophobicContact CB-CB 3.83Å; F121-A271 HydrophobicContact CD1-CB 3.9Å; F121-A271 HydrophobicContact CG-CB 4.07Å; F121-P391 HydrophobicContact CB-CB 4.12Å; F121-P391 HydrophobicContact CB-CG 4.48Å; F121-P391 VanDerWaalsContact CB-O 3.24Å; F121-P391 WeakPolarHBondContact CB-O 3.28Å; F121-P391 WeakPolarHBondContact CD2-O 3.32Å; F121-W392 HydrophobicContact CD2-CE3 4.01Å; F121-W392 HydrophobicContact CD2-CZ3 4.25Å; F121-W392 AromaticContact CE2-CE3 3.77Å; F121-W392 HydrophobicContact CE2-CE3 3.77Å; F121-W392 AromaticContact CE2-CZ3 3.69Å; F121-W392 HydrophobicContact CE2-CZ3 3.69Å; F121-P393 HydrophobicContact CZ-CG 4.44Å
122G87.9Confident80.2Confident44 Ų4476.8 Ų76.845%0.45439%0.388SS..THydrogen-bonded Turntrans-82.4-25.5173.400000113.6N119 Y120N119-G122 WeakPolarHBondContact O-CA 3.25Å; N119-G122 PolarHBondContact O-N 2.87Å; Y120-G122 PolarHBondContact O-N 2.99Å; Y120-G122 VanDerWaalsContact O-N 3.16Å
123I86.7Confident82.4Confident22 Ų2271.9 Ų71.911%0.11336%0.359CS..  trans-83.7130.3-177.7-49.9180000110.3E118 E264 K265 G268E118-I123 HydrophobicContact CB-CD1 4Å; E118-I123 HydrophobicContact CB-CG1 3.84Å; I123-E264 HydrophobicContact CD1-CB 4.18Å; I123-K265 HydrophobicContact CG2-CG 3.68Å; I123-G268 VanDerWaalsContact O-CA 3.29Å; I123-G268 WeakPolarHBondContact O-CA 3.23Å
124T84.6Confident84.3Confident42 Ų4269.8 Ų69.826%0.25836%0.356SS..  trans-131155.1-178.6-175.10000112.7L126T124-L126 WeakPolarHBondContact CG2-O 3.49Å; T124-L126 PolarHBondContact OG1-N 3.43Å; T124-L126 VanDerWaalsContact OG1-N 3.16Å
125L87.2Confident86.3Confident44 Ų4465.8 Ų65.823%0.2333%0.33CS..SBendtrans-89.2-7.7170.5-69.8168.9000113.4L203 K265 E266L125-L203 WeakPolarHBondContact O-CB 3.2Å; L125-L203 WeakPolarHBondContact O-CG 3.29Å; L125-L203 PolarHBondContact O-N 2.7Å; L125-K265 HydrophobicContact CD1-CB 4.22Å; L125-K265 HydrophobicContact CD2-CB 4Å; L125-K265 HydrophobicContact CD2-CD 3.63Å; L125-K265 HydrophobicContact CD2-CG 4.16Å; L125-K265 HydrophobicContact CG-CB 3.82Å; L125-K265 HydrophobicContact CG-CD 4.39Å; L125-K265 HydrophobicContact CG-CG 4.42Å; L125-E266 HydrophobicContact CD1-CG 4.48Å
126L89.1Confident88Confident4 Ų464.2 Ų64.22%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-114.7135.1-165.4-54179.4000111.8T124 L199 V201 E202 W229 V269T124-L126 WeakPolarHBondContact CG2-O 3.49Å; T124-L126 PolarHBondContact OG1-N 3.43Å; T124-L126 VanDerWaalsContact OG1-N 3.16Å; L126-L199 HydrophobicContact CD1-CB 3.66Å; L126-V201 CarbonylContact C-O 3.54Å; L126-V201 VanDerWaalsContact CA-O 3.23Å; L126-V201 WeakPolarHBondContact CA-O 3.32Å; L126-E202 HydrophobicContact CD2-CG 4.25Å; L126-W229 HydrophobicContact CD1-CB 3.78Å; L126-W229 HydrophobicContact CD1-CD2 4.29Å; L126-W229 HydrophobicContact CD1-CE3 4.34Å; L126-W229 HydrophobicContact CD1-CG 4.08Å; L126-W229 HydrophobicContact CD2-CB 4.08Å; L126-W229 HydrophobicContact CD2-CD2 3.83Å; L126-W229 HydrophobicContact CD2-CE3 4.48Å; L126-W229 HydrophobicContact CD2-CG 3.61Å; L126-V269 HydrophobicContact CD1-CG1 3.87Å; L126-V269 HydrophobicContact CD1-CG2 3.94Å; L126-V269 HydrophobicContact CG-CG2 3.99Å
127D89.1Confident89.7Confident66 Ų6661.4 Ų61.435%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-74.9121.6152.8177.9-10.2000107.4R129 G200 V201 L203D127-R129 HydrophobicContact CB-CG 4.17Å; D127-R129 PolarHBondContact O-N 3.05Å; D127-R129 PolarHBondContact OD1-N 2.68Å; D127-R129 WeakPolarHBondContact OD2-CD 3.14Å; D127-R129 IonicContact OD2-NH1 3.3Å; D127-G200 CarbonylContact O-C 3.54Å; D127-G200 WeakPolarHBondContact O-CA 3.41Å; D127-V201 HydrophobicContact CB-CG2 4.21Å; D127-V201 PolarHBondContact N-O 3.02Å; D127-V201 PolarHBondContact O-N 3.28Å; D127-L203 HydrophobicContact CB-CD2 3.89Å
128R94.1Very high91Very high121 Ų12158.4 Ų58.446%0.45731%0.312SS..  trans-63.7-21.1-177.3-67.1-177.7-177.5-114.78.6113.6S130R128-S130 VanDerWaalsContact C-N 3.29Å; R128-S130 PolarHBondContact O-N 2.82Å; R128-S130 VanDerWaalsContact O-N 3.14Å
129R92.5Very high92.1Very high80 Ų8051.7 Ų51.730%0.30228%0.281SS..  trans40.753.4178.7-60.7-67.2-72.8-170.8-9.1113.1D127 N131 K132 F198 V201D127-R129 HydrophobicContact CB-CG 4.17Å; D127-R129 PolarHBondContact O-N 3.05Å; D127-R129 PolarHBondContact OD1-N 2.68Å; D127-R129 WeakPolarHBondContact OD2-CD 3.14Å; D127-R129 IonicContact OD2-NH1 3.3Å; R129-N131 PolarHBondContact O-N 2.85Å; R129-N131 VanDerWaalsContact O-N 3.11Å; R129-N131 PolarHBondContact O-OD1 3.46Å; R129-K132 HydrophobicContact CB-CB 4.45Å; R129-K132 HydrophobicContact CB-CG 4.3Å; R129-K132 WeakPolarHBondContact O-CB 3.34Å; R129-K132 PolarHBondContact O-N 2.95Å; R129-F198 HydrophobicContact CB-CE1 4.27Å; R129-F198 HydrophobicContact CB-CZ 4.23Å; R129-V201 HydrophobicContact CG-CB 4.34Å; R129-V201 HydrophobicContact CG-CG1 4.06Å; R129-V201 HydrophobicContact CG-CG2 3.46Å; R129-V201 VanDerWaalsContact CG-CG2 3.46Å
130S93.9Very high92.5Very high74 Ų7454.4 Ų54.452%0.51730%0.301SS..G310 helixtrans-58.8-28.8-173.857.70000113.1R128 K132 R133R128-S130 VanDerWaalsContact C-N 3.29Å; R128-S130 PolarHBondContact O-N 2.82Å; R128-S130 VanDerWaalsContact O-N 3.14Å; S130-K132 PolarHBondContact O-N 3.42Å; S130-R133 VanDerWaalsContact O-CB 3.26Å; S130-R133 WeakPolarHBondContact O-CB 3.38Å; S130-R133 WeakPolarHBondContact O-CG 3.48Å; S130-R133 PolarHBondContact O-N 3.05Å; S130-R133 VanDerWaalsContact O-N 3.07Å
131N92.9Very high92.7Very high97 Ų9761.1 Ų61.152%0.51933%0.33SS..G310 helixtrans-59.5-21.5173.566.7-54.3000114R129R129-N131 PolarHBondContact O-N 2.85Å; R129-N131 VanDerWaalsContact O-N 3.11Å; R129-N131 PolarHBondContact O-OD1 3.46Å
132K93.5Very high92.8Very high38 Ų3861.1 Ų61.117%0.16533%0.33CS..G310 helixtrans-86.4-10.2176.6-69.8-60.5-167.7172.90114.1R129 S130 T134 D135 W138 F198R129-K132 HydrophobicContact CB-CB 4.45Å; R129-K132 HydrophobicContact CB-CG 4.3Å; R129-K132 WeakPolarHBondContact O-CB 3.34Å; R129-K132 PolarHBondContact O-N 2.95Å; S130-K132 PolarHBondContact O-N 3.42Å; K132-T134 VanDerWaalsContact C-N 3.27Å; K132-T134 PolarHBondContact O-N 2.77Å; K132-D135 HydrophobicContact CD-CB 4.41Å; K132-D135 IonicContact NZ-OD2 3.6Å; K132-D135 PolarHBondContact NZ-OD2 2.73Å; K132-D135 PolarHBondContact O-N 3.11Å; K132-D135 VanDerWaalsContact O-N 3.17Å; K132-W138 HydrophobicContact CB-CD2 4.38Å; K132-W138 HydrophobicContact CB-CE3 3.8Å; K132-W138 HydrophobicContact CB-CH2 4.29Å; K132-W138 HydrophobicContact CB-CZ3 3.75Å; K132-W138 HydrophobicContact CD-CD2 3.88Å; K132-W138 HydrophobicContact CD-CE3 4.15Å; K132-W138 HydrophobicContact CD-CG 4.1Å; K132-W138 HydrophobicContact CG-CD2 4.26Å; K132-W138 HydrophobicContact CG-CE3 4.15Å; K132-W138 HydrophobicContact CG-CH2 4.3Å; K132-W138 HydrophobicContact CG-CZ2 4.38Å; K132-W138 HydrophobicContact CG-CZ3 4.18Å; K132-F198 HydrophobicContact CB-CE1 4.24Å
133R97.6Very high93.1Very high40 Ų4061.7 Ų61.715%0.15132%0.321CS..THydrogen-bonded Turntrans-63.4-31.9-177.8-71.3174.1-174.6168.20.5113.2S130 L139 F198 E297 G298 Y300S130-R133 VanDerWaalsContact O-CB 3.26Å; S130-R133 WeakPolarHBondContact O-CB 3.38Å; S130-R133 WeakPolarHBondContact O-CG 3.48Å; S130-R133 PolarHBondContact O-N 3.05Å; S130-R133 VanDerWaalsContact O-N 3.07Å; R133-L139 WeakPolarHBondContact O-CD1 3.36Å; R133-F198 HydrophobicContact CG-CD1 4.04Å; R133-E297 HydrophobicContact CB-CB 4.25Å; R133-E297 WeakPolarHBondContact CB-O 3.37Å; R133-E297 CarbonylContact O-C 3.57Å; R133-E297 WeakPolarHBondContact O-CA 3.16Å; R133-G298 PolarHBondContact O-N 3.01Å; R133-G298 VanDerWaalsContact O-N 3.15Å; R133-Y300 HydrophobicContact CG-CD2 4.28Å
134T96.9Very high93.5Very high94 Ų9465.9 Ų65.958%0.57734%0.343SS*.THydrogen-bonded Turntrans-87-14.8178.951.60000113.1K132 S136 E297K132-T134 VanDerWaalsContact C-N 3.27Å; K132-T134 PolarHBondContact O-N 2.77Å; T134-S136 PolarHBondContact O-N 3.42Å; T134-E297 HydrophobicContact CG2-CG 4.01Å
135D96.6Very high94Very high54 Ų5465.1 Ų65.129%0.28934%0.336SS..  trans-82.181.5-178.1-171.6-13.9000110.5K132 N137 W138 L139K132-D135 HydrophobicContact CD-CB 4.41Å; K132-D135 IonicContact NZ-OD2 3.6Å; K132-D135 PolarHBondContact NZ-OD2 2.73Å; K132-D135 PolarHBondContact O-N 3.11Å; K132-D135 VanDerWaalsContact O-N 3.17Å; D135-N137 PolarHBondContact O-N 3.16Å; D135-W138 HydrophobicContact CB-CB 3.96Å; D135-W138 PolarHBondContact O-N 2.8Å; D135-W138 VanDerWaalsContact OD1-CB 3.31Å; D135-W138 WeakPolarHBondContact OD1-CB 3.47Å; D135-W138 PolarHBondContact OD1-N 2.86Å; D135-W138 WeakPolarHBondContact OD2-CB 3.45Å; D135-L139 WeakPolarHBondContact O-CG 3.37Å; D135-L139 PolarHBondContact O-N 2.71Å
136S95.1Very high94.2Very high81 Ų8167.4 Ų67.457%0.56635%0.354SS*.Hα-helixtrans-62-31.7-175.8-610000112.5T134 S140T134-S136 PolarHBondContact O-N 3.42Å; S136-S140 WeakPolarHBondContact O-CB 3.49Å; S136-S140 PolarHBondContact O-N 2.9Å; S136-S140 PolarHBondContact O-OG 2.76Å
137N95.3Very high94.4Very high125 Ų12570.1 Ų70.167%0.66837%0.37SS*.Hα-helixtrans-69.3-46.6177.9-71.5-20000110.8D135 S140 K141D135-N137 PolarHBondContact O-N 3.16Å; N137-S140 PolarHBondContact O-N 2.78Å; N137-K141 WeakPolarHBondContact O-CG 3.23Å; N137-K141 PolarHBondContact O-N 3.39Å
138W95.3Very high94.7Very high23 Ų2367 Ų679%0.08735%0.353CS..Hα-helixtrans-63.5-44.3176.3-177.889.8000112.1K132 D135 S140 K141 K142 F198 V201 D224 L226 A228K132-W138 HydrophobicContact CB-CD2 4.38Å; K132-W138 HydrophobicContact CB-CE3 3.8Å; K132-W138 HydrophobicContact CB-CH2 4.29Å; K132-W138 HydrophobicContact CB-CZ3 3.75Å; K132-W138 HydrophobicContact CD-CD2 3.88Å; K132-W138 HydrophobicContact CD-CE3 4.15Å; K132-W138 HydrophobicContact CD-CG 4.1Å; K132-W138 HydrophobicContact CG-CD2 4.26Å; K132-W138 HydrophobicContact CG-CE3 4.15Å; K132-W138 HydrophobicContact CG-CH2 4.3Å; K132-W138 HydrophobicContact CG-CZ2 4.38Å; K132-W138 HydrophobicContact CG-CZ3 4.18Å; D135-W138 HydrophobicContact CB-CB 3.96Å; D135-W138 PolarHBondContact O-N 2.8Å; D135-W138 VanDerWaalsContact OD1-CB 3.31Å; D135-W138 WeakPolarHBondContact OD1-CB 3.47Å; D135-W138 PolarHBondContact OD1-N 2.86Å; D135-W138 WeakPolarHBondContact OD2-CB 3.45Å; W138-S140 PolarHBondContact O-N 3.4Å; W138-K141 PolarHBondContact O-N 2.99Å; W138-K142 HydrophobicContact CD2-CG 3.95Å; W138-K142 HydrophobicContact CE3-CG 4.19Å; W138-K142 HydrophobicContact CH2-CG 3.94Å; W138-K142 HydrophobicContact CZ2-CD 4.2Å; W138-K142 HydrophobicContact CZ2-CG 3.69Å; W138-K142 HydrophobicContact CZ3-CG 4.18Å; W138-K142 WeakPolarHBondContact O-CG 3.43Å; W138-K142 PolarHBondContact O-N 3.24Å; W138-F198 AromaticContact CH2-CE2 3.74Å; W138-F198 HydrophobicContact CH2-CE2 3.74Å; W138-F198 AromaticContact CH2-CZ 3.72Å; W138-F198 HydrophobicContact CH2-CZ 3.72Å; W138-F198 HydrophobicContact CZ3-CD2 4.32Å; W138-F198 HydrophobicContact CZ3-CE1 4.32Å; W138-F198 AromaticContact CZ3-CE2 3.68Å; W138-F198 HydrophobicContact CZ3-CE2 3.68Å; W138-F198 AromaticContact CZ3-CZ 3.68Å; W138-F198 HydrophobicContact CZ3-CZ 3.68Å; W138-V201 HydrophobicContact CH2-CG1 3.9Å; W138-V201 HydrophobicContact CZ2-CG1 4.24Å; W138-D224 PolarHBondContact NE1-OD2 2.85Å; W138-L226 HydrophobicContact CZ2-CD1 4.35Å; W138-A228 HydrophobicContact CH2-CB 4.23Å
139L95.9Very high94.8Very high10 Ų1061.4 Ų61.45%0.05233%0.333CS..Hα-helixtrans-59.8-45.8177.2-72.4172.1000111.4R133 D135 K141 K142 Q143 F198 F230R133-L139 WeakPolarHBondContact O-CD1 3.36Å; D135-L139 WeakPolarHBondContact O-CG 3.37Å; D135-L139 PolarHBondContact O-N 2.71Å; L139-K141 PolarHBondContact O-N 3.24Å; L139-K142 PolarHBondContact O-N 2.76Å; L139-Q143 VanDerWaalsContact O-CG 3.27Å; L139-Q143 WeakPolarHBondContact O-CG 3.34Å; L139-Q143 PolarHBondContact O-N 3.19Å; L139-F198 HydrophobicContact CD2-CB 3.9Å; L139-F198 HydrophobicContact CD2-CD1 4.18Å; L139-F198 HydrophobicContact CD2-CD2 3.98Å; L139-F198 HydrophobicContact CD2-CG 3.74Å; L139-F230 HydrophobicContact CD2-CE1 4.09Å; L139-F230 HydrophobicContact CD2-CZ 4.03Å
140S94.7Very high95.1Very high67 Ų6757.6 Ų57.647%0.46932%0.318SS..Hα-helixtrans-63-41.4179.3-56.70000112S136 N137 W138 Q143S136-S140 WeakPolarHBondContact O-CB 3.49Å; S136-S140 PolarHBondContact O-N 2.9Å; S136-S140 PolarHBondContact O-OG 2.76Å; N137-S140 PolarHBondContact O-N 2.78Å; W138-S140 PolarHBondContact O-N 3.4Å; S140-Q143 PolarHBondContact O-N 3.21Å
141K94.6Very high95.3Very high151 Ų15154 Ų5466%0.65729%0.294SS*.Hα-helixtrans-61.9-46.1173.5-73.6-178.7179.9-171.40111.7N137 W138 L139 Q143 I144 H145N137-K141 WeakPolarHBondContact O-CG 3.23Å; N137-K141 PolarHBondContact O-N 3.39Å; W138-K141 PolarHBondContact O-N 2.99Å; L139-K141 PolarHBondContact O-N 3.24Å; K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 2.96Å; K141-I144 VanDerWaalsContact O-CG1 3.26Å; K141-I144 WeakPolarHBondContact O-CG1 3.3Å; K141-I144 PolarHBondContact O-N 3.39Å; K141-H145 PolarHBondContact O-N 2.87Å
142K94.6Very high95.5Very high7 Ų749.4 Ų49.43%0.0327%0.269CS..Hα-helixtrans-66.8-32.3179.1-71-63.1-178.7-176.60112.6W138 L139 I144 H145 T148 D224 L226 A228 F230W138-K142 HydrophobicContact CD2-CG 3.95Å; W138-K142 HydrophobicContact CE3-CG 4.19Å; W138-K142 HydrophobicContact CH2-CG 3.94Å; W138-K142 HydrophobicContact CZ2-CD 4.2Å; W138-K142 HydrophobicContact CZ2-CG 3.69Å; W138-K142 HydrophobicContact CZ3-CG 4.18Å; W138-K142 WeakPolarHBondContact O-CG 3.43Å; W138-K142 PolarHBondContact O-N 3.24Å; L139-K142 PolarHBondContact O-N 2.76Å; K142-I144 PolarHBondContact O-N 2.88Å; K142-H145 PolarHBondContact O-N 3.43Å; K142-H145 VanDerWaalsContact O-N 3.15Å; K142-T148 VanDerWaalsContact O-CB 3.23Å; K142-T148 WeakPolarHBondContact O-CB 3.49Å; K142-T148 WeakPolarHBondContact O-CG2 3.49Å; K142-T148 PolarHBondContact O-OG1 3.35Å; K142-D224 VanDerWaalsContact CE-OD1 3.23Å; K142-D224 WeakPolarHBondContact CE-OD1 3.33Å; K142-D224 IonicContact NZ-OD1 3.7Å; K142-D224 PolarHBondContact NZ-OD1 3.25Å; K142-L226 WeakPolarHBondContact CE-O 3.5Å; K142-L226 PolarHBondContact NZ-O 2.88Å; K142-A228 HydrophobicContact CB-CB 3.9Å; K142-A228 HydrophobicContact CD-CB 4.16Å; K142-A228 HydrophobicContact CG-CB 4.06Å; K142-F230 HydrophobicContact CB-CE2 4.31Å; K142-F230 HydrophobicContact CB-CZ 4.48Å
143Q95.2Very high95.7Very high55 Ų5547.6 Ų47.626%0.25726%0.261SS..Hα-helixtrans-59.9-33.2178.4-76.9171.233.100113.4L139 S140 K141 Y150 H181 L196 F230L139-Q143 VanDerWaalsContact O-CG 3.27Å; L139-Q143 WeakPolarHBondContact O-CG 3.34Å; L139-Q143 PolarHBondContact O-N 3.19Å; S140-Q143 PolarHBondContact O-N 3.21Å; K141-Q143 VanDerWaalsContact C-N 3.33Å; K141-Q143 PolarHBondContact O-N 2.96Å; Q143-Y150 VanDerWaalsContact C-OH 3.29Å; Q143-Y150 WeakPolarHBondContact CA-OH 3.4Å; Q143-Y150 PolarHBondContact O-OH 3.19Å; Q143-H181 PolarHBondContact O-ND1 2.91Å; Q143-L196 VanDerWaalsContact CD-CD2 3.44Å; Q143-L196 HydrophobicContact CG-CD2 3.87Å; Q143-F230 HydrophobicContact CG-CE1 4.11Å; Q143-F230 HydrophobicContact CG-CE2 4.33Å; Q143-F230 HydrophobicContact CG-CZ 3.89Å
144I95.1Very high95.6Very high111 Ų11146.2 Ų46.257%0.56926%0.258SS*.Hα-helixtrans-95.2-6.7179.364.2171.3000113.5K141 K142K141-I144 VanDerWaalsContact O-CG1 3.26Å; K141-I144 WeakPolarHBondContact O-CG1 3.3Å; K141-I144 PolarHBondContact O-N 3.39Å; K142-I144 PolarHBondContact O-N 2.88Å
145H94Very high95.5Very high26 Ų2647.5 Ų47.512%0.1226%0.261CS..  trans-70.9133.4-174.8-170-98.5000111.7K141 K142 T147 T148 E223K141-H145 PolarHBondContact O-N 2.87Å; K142-H145 PolarHBondContact O-N 3.43Å; K142-H145 VanDerWaalsContact O-N 3.15Å; H145-T147 VanDerWaalsContact C-N 3.26Å; H145-T147 PolarHBondContact CE1-OG1 3.18Å; H145-T147 PolarHBondContact ND1-N 2.77Å; H145-T147 PolarHBondContact ND1-OG1 2.99Å; H145-T147 PolarHBondContact O-N 3.25Å; H145-T148 WeakPolarHBondContact O-CB 3.11Å; H145-T148 PolarHBondContact O-N 2.89Å; H145-T148 VanDerWaalsContact O-N 3.08Å; H145-E223 IonicContact CD2-OE1 3.59Å; H145-E223 PolarHBondContact CD2-OE1 3.32Å; H145-E223 IonicContact CD2-OE2 3.4Å; H145-E223 PolarHBondContact CD2-OE2 2.78Å; H145-E223 VanDerWaalsContact CD2-OE2 3.24Å; H145-E223 IonicContact CE1-OE2 3.67Å; H145-E223 PolarHBondContact CE1-OE2 2.91Å; H145-E223 IonicContact CG-OE1 2.76Å; H145-E223 IonicContact NE2-OE1 2.76Å; H145-E223 PolarHBondContact NE2-OE1 2.63Å; H145-E223 IonicContact NE2-OE2 3.94Å; H145-E223 PolarHBondContact NE2-OE2 3.05Å
146P92.3Very high95.5Very high92 Ų9246.3 Ų46.360%0.59725%0.254SS*.THydrogen-bonded Turntrans-60.7-26.3-175.820.6-35.8000115.4Y180P146-Y180 WeakPolarHBondContact O-CD1 3.49Å
147T92.3Very high95.7Very high60 Ų6043.1 Ų43.137%0.36823%0.232SC..THydrogen-bonded Turntrans-84.9-10.6178.567.60000113.4H145 V149 V227H145-T147 VanDerWaalsContact C-N 3.26Å; H145-T147 PolarHBondContact CE1-OG1 3.18Å; H145-T147 PolarHBondContact ND1-N 2.77Å; H145-T147 PolarHBondContact ND1-OG1 2.99Å; H145-T147 PolarHBondContact O-N 3.25Å; T147-V149 PolarHBondContact O-N 3.43Å; T147-V227 WeakPolarHBondContact O-CG1 3.28Å
148T95.8Very high95.8Very high0 Ų037.1 Ų37.10%020%0.2CC..  trans-65.9131-178.1-68.50000111.1K142 H145 Y150 A228 F230K142-T148 VanDerWaalsContact O-CB 3.23Å; K142-T148 WeakPolarHBondContact O-CB 3.49Å; K142-T148 WeakPolarHBondContact O-CG2 3.49Å; K142-T148 PolarHBondContact O-OG1 3.35Å; H145-T148 WeakPolarHBondContact O-CB 3.11Å; H145-T148 PolarHBondContact O-N 2.89Å; H145-T148 VanDerWaalsContact O-N 3.08Å; T148-Y150 HydrophobicContact CG2-CD2 4.17Å; T148-Y150 HydrophobicContact CG2-CE2 3.59Å; T148-A228 WeakPolarHBondContact CA-O 3.43Å; T148-A228 HydrophobicContact CG2-CB 4.38Å; T148-A228 WeakPolarHBondContact CG2-O 3.38Å; T148-F230 HydrophobicContact CG2-CD2 3.48Å; T148-F230 VanDerWaalsContact CG2-CD2 3.48Å; T148-F230 HydrophobicContact CG2-CE2 3.68Å
149V97.1Very high95.9Very high4 Ų436 Ų362%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-96.3135.6-178.7-179.40000110.1T147 R178 L179 Y180 V227 A228 W229 F230T147-V149 PolarHBondContact O-N 3.43Å; V149-R178 HydrophobicContact CG1-CB 3.95Å; V149-R178 HydrophobicContact CG1-CG 4.14Å; V149-L179 CarbonylContact C-O 3.27Å; V149-L179 WeakPolarHBondContact CA-O 3.24Å; V149-Y180 HydrophobicContact CG2-CE1 4.19Å; V149-V227 HydrophobicContact CG2-CG1 4.16Å; V149-A228 PolarHBondContact N-O 3.35Å; V149-W229 HydrophobicContact CB-CD2 3.76Å; V149-W229 HydrophobicContact CB-CE3 4.43Å; V149-W229 HydrophobicContact CB-CG 3.88Å; V149-W229 HydrophobicContact CB-CZ2 4.26Å; V149-W229 HydrophobicContact CG1-CD2 3.74Å; V149-W229 HydrophobicContact CG1-CE3 3.93Å; V149-W229 HydrophobicContact CG1-CG 4.36Å; V149-W229 HydrophobicContact CG1-CH2 4.09Å; V149-W229 HydrophobicContact CG1-CZ2 3.89Å; V149-W229 HydrophobicContact CG1-CZ3 4.1Å; V149-W229 HydrophobicContact CG2-CD2 4.44Å; V149-W229 HydrophobicContact CG2-CZ2 4.22Å; V149-W229 CarbonylContact O-C 3.6Å; V149-W229 VanDerWaalsContact O-CA 3.31Å; V149-W229 WeakPolarHBondContact O-CA 3.17Å; V149-F230 PolarHBondContact O-N 2.84Å
150Y98.1Very high95.9Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-117.2133.3174.6-71.3-92.4000110.3Q143 T148 L179 H181 V184 L188 L196 F230 L232Q143-Y150 VanDerWaalsContact C-OH 3.29Å; Q143-Y150 WeakPolarHBondContact CA-OH 3.4Å; Q143-Y150 PolarHBondContact O-OH 3.19Å; T148-Y150 HydrophobicContact CG2-CD2 4.17Å; T148-Y150 HydrophobicContact CG2-CE2 3.59Å; Y150-L179 PolarHBondContact N-O 3.32Å; Y150-L179 PolarHBondContact O-N 3.35Å; Y150-H181 HydrophobicContact CE2-CB 4.45Å; Y150-V184 HydrophobicContact CD1-CG2 3.9Å; Y150-V184 HydrophobicContact CD2-CG2 3.57Å; Y150-V184 HydrophobicContact CE1-CG2 4.08Å; Y150-V184 HydrophobicContact CE2-CG2 3.77Å; Y150-V184 HydrophobicContact CG-CG1 4.35Å; Y150-V184 HydrophobicContact CG-CG2 3.64Å; Y150-L188 HydrophobicContact CE1-CD1 4.21Å; Y150-L188 HydrophobicContact CE1-CD2 4.13Å; Y150-L188 WeakPolarHBondContact OH-CD1 3.43Å; Y150-L196 HydrophobicContact CD1-CD1 4.27Å; Y150-L196 HydrophobicContact CE1-CD1 3.78Å; Y150-F230 CarbonylContact C-O 3.55Å; Y150-F230 WeakPolarHBondContact CA-O 3.09Å; Y150-F230 HydrophobicContact CD1-CB 3.79Å; Y150-F230 HydrophobicContact CE1-CB 3.78Å; Y150-F230 HydrophobicContact CE1-CD2 4.33Å; Y150-F230 HydrophobicContact CE1-CG 4.19Å; Y150-L232 HydrophobicContact CD1-CB 4.26Å; Y150-L232 HydrophobicContact CD1-CD2 4.48Å
151I97.8Very high95.9Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-105.3117.6165.8-54166.2000107.4F153 L176 L199 W229 F230 A231 L232 V269I151-F153 HydrophobicContact CB-CE2 4.03Å; I151-F153 HydrophobicContact CG2-CD2 4.06Å; I151-F153 HydrophobicContact CG2-CE2 3.47Å; I151-F153 VanDerWaalsContact CG2-CE2 3.47Å; I151-F153 HydrophobicContact CG2-CZ 4.18Å; I151-L176 HydrophobicContact CD1-CD1 3.78Å; I151-L176 HydrophobicContact CG1-CD1 4.31Å; I151-L176 HydrophobicContact CG2-CD2 4.01Å; I151-L199 HydrophobicContact CD1-CD1 3.86Å; I151-W229 HydrophobicContact CD1-CE3 3.81Å; I151-W229 HydrophobicContact CD1-CZ3 3.82Å; I151-W229 HydrophobicContact CG1-CE3 4.12Å; I151-W229 HydrophobicContact CG1-CZ3 4.1Å; I151-F230 PolarHBondContact N-O 2.86Å; I151-A231 WeakPolarHBondContact O-CA 3.23Å; I151-L232 PolarHBondContact O-N 2.86Å; I151-V269 HydrophobicContact CD1-CG1 3.52Å
152L97.3Very high95.7Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-82.3139.3179.5-160.165.4000110.8L159 L179 L232 I234 F242 F251L152-L159 HydrophobicContact CB-CB 3.99Å; L152-L159 HydrophobicContact CB-CD2 4.15Å; L152-L159 HydrophobicContact CD2-CD2 4.22Å; L152-L159 WeakPolarHBondContact O-CB 3.42Å; L152-L159 PolarHBondContact O-N 3.28Å; L152-L179 HydrophobicContact CB-CD1 3.89Å; L152-L179 HydrophobicContact CD2-CD1 4.16Å; L152-L232 CarbonylContact C-O 3.5Å; L152-L232 WeakPolarHBondContact CA-O 3.36Å; L152-L232 HydrophobicContact CD1-CB 4.16Å; L152-L232 HydrophobicContact CD1-CD2 3.76Å; L152-L232 HydrophobicContact CD1-CG 3.91Å; L152-I234 HydrophobicContact CD1-CD1 3.93Å; L152-I234 HydrophobicContact CD1-CG1 4.02Å; L152-I234 HydrophobicContact CD1-CG2 3.83Å; L152-I234 HydrophobicContact CD2-CD1 3.73Å; L152-I234 HydrophobicContact CD2-CG1 4.49Å; L152-I234 HydrophobicContact CG-CD1 3.96Å; L152-I234 HydrophobicContact CG-CG1 4.18Å; L152-F242 HydrophobicContact CD2-CB 4.39Å; L152-F242 HydrophobicContact CD2-CD1 3.89Å; L152-F242 HydrophobicContact CD2-CD2 3.76Å; L152-F242 HydrophobicContact CD2-CE1 4.12Å; L152-F242 HydrophobicContact CD2-CE2 3.98Å; L152-F242 HydrophobicContact CD2-CG 3.72Å; L152-F242 HydrophobicContact CD2-CZ 4.17Å; L152-F251 HydrophobicContact CD2-CE1 4.48Å; L152-F251 HydrophobicContact CD2-CZ 4.08Å; L152-F251 HydrophobicContact CG-CE1 4.33Å; L152-F251 HydrophobicContact CG-CZ 4.36Å
153F97.8Very high94.7Very high0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-127.2143.5175.6-77.7-100.4000110.6I151 S157 P158 A231 L232 S233 I234 V270 A273 R274 L277I151-F153 HydrophobicContact CB-CE2 4.03Å; I151-F153 HydrophobicContact CG2-CD2 4.06Å; I151-F153 HydrophobicContact CG2-CE2 3.47Å; I151-F153 VanDerWaalsContact CG2-CE2 3.47Å; I151-F153 HydrophobicContact CG2-CZ 4.18Å; F153-S157 VanDerWaalsContact CA-O 3.32Å; F153-S157 WeakPolarHBondContact CA-O 3.38Å; F153-P158 HydrophobicContact CD1-CB 4.19Å; F153-P158 HydrophobicContact CE1-CB 3.66Å; F153-P158 HydrophobicContact CE1-CG 4.3Å; F153-P158 HydrophobicContact CE2-CB 4.42Å; F153-P158 HydrophobicContact CZ-CB 3.79Å; F153-A231 HydrophobicContact CD2-CB 4.14Å; F153-A231 HydrophobicContact CE2-CB 3.99Å; F153-L232 PolarHBondContact N-O 3.41Å; F153-S233 WeakPolarHBondContact O-CA 3.35Å; F153-I234 PolarHBondContact O-N 3.11Å; F153-V270 HydrophobicContact CE1-CG1 4.4Å; F153-V270 HydrophobicContact CZ-CG1 4.3Å; F153-A273 HydrophobicContact CE2-CB 3.68Å; F153-A273 HydrophobicContact CZ-CB 3.6Å; F153-R274 HydrophobicContact CE1-CB 4.23Å; F153-L277 HydrophobicContact CB-CD1 3.72Å; F153-L277 HydrophobicContact CD1-CD1 3.93Å; F153-L277 HydrophobicContact CD2-CD1 3.69Å; F153-L277 HydrophobicContact CE1-CD1 4.47Å; F153-L277 HydrophobicContact CE2-CD1 4.26Å; F153-L277 HydrophobicContact CG-CD1 3.5Å
154S96.1Very high93Very high11 Ų1133 Ų338%0.07720%0.2CC..EExtended strand (participates in β ladder)trans-135.7130.1165.9-175.10000108.7L156 S157 A239S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 VanDerWaalsContact O-N 3.14Å; S154-S157 PolarHBondContact N-O 3.18Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3.44Å; S154-S157 PolarHBondContact O-N 2.8Å; S154-A239 WeakPolarHBondContact OG-CB 3.44Å
155N95.1Very high90.6Very high120 Ų12030.6 Ų30.664%0.64220%0.202SC*.THydrogen-bonded Turntrans46.944.7-175.7-66-25.7000113.1S157N155-S157 PolarHBondContact O-N 2.94Å; N155-S157 VanDerWaalsContact O-N 3.12Å
156L97.1Very high88.3Confident29 Ų2936.9 Ų36.915%0.15224%0.242CC..THydrogen-bonded Turntrans62.111.6-177.6-50.6175.9000115.5S154 R274 L277 A278S154-L156 PolarHBondContact O-N 3.22Å; S154-L156 VanDerWaalsContact O-N 3.14Å; L156-R274 HydrophobicContact CB-CG 4.21Å; L156-R274 WeakPolarHBondContact O-CD 3.35Å; L156-R274 PolarHBondContact O-NE 3.31Å; L156-L277 HydrophobicContact CD2-CB 3.68Å; L156-A278 HydrophobicContact CD1-CB 3.76Å; L156-A278 HydrophobicContact CD2-CB 4.14Å
157S97.8Very high86.2Confident14 Ų1441.6 Ų41.610%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-98126.1175.9-56.30000108.9F153 S154 N155 F251 L252F153-S157 VanDerWaalsContact CA-O 3.32Å; F153-S157 WeakPolarHBondContact CA-O 3.38Å; S154-S157 PolarHBondContact N-O 3.18Å; S154-S157 VanDerWaalsContact O-CB 3.31Å; S154-S157 WeakPolarHBondContact O-CB 3.44Å; S154-S157 PolarHBondContact O-N 2.8Å; N155-S157 PolarHBondContact O-N 2.94Å; N155-S157 VanDerWaalsContact O-N 3.12Å; S157-F251 VanDerWaalsContact O-CD1 3.31Å; S157-F251 WeakPolarHBondContact O-CD1 3.46Å; S157-L252 WeakPolarHBondContact CB-O 3.35Å
158P97.9Very high84.1Confident0 Ų041.9 Ų41.90%026%0.26CS..EExtended strand (participates in β ladder)trans-74.8147178.631-34.6000110.8F153 L176 F251 L252 L259 V270F153-P158 HydrophobicContact CD1-CB 4.19Å; F153-P158 HydrophobicContact CE1-CB 3.66Å; F153-P158 HydrophobicContact CE1-CG 4.3Å; F153-P158 HydrophobicContact CE2-CB 4.42Å; F153-P158 HydrophobicContact CZ-CB 3.79Å; P158-L176 HydrophobicContact CB-CD2 4.08Å; P158-F251 WeakPolarHBondContact O-CA 3.34Å; P158-L252 HydrophobicContact CG-CB 4.14Å; P158-L252 PolarHBondContact O-N 3.35Å; P158-L259 HydrophobicContact CG-CD2 4Å; P158-V270 HydrophobicContact CB-CG1 4.43Å; P158-V270 HydrophobicContact CB-CG2 4.3Å; P158-V270 HydrophobicContact CG-CG1 4.06Å; P158-V270 HydrophobicContact CG-CG2 4.43Å
159L97.5Very high82Confident0 Ų048.3 Ų48.30%031%0.305CS..EExtended strand (participates in β ladder)trans-74.4128.5169.5-170.975.8000110.2L152 C177 L179 F242 A249 F251L152-L159 HydrophobicContact CB-CB 3.99Å; L152-L159 HydrophobicContact CB-CD2 4.15Å; L152-L159 HydrophobicContact CD2-CD2 4.22Å; L152-L159 WeakPolarHBondContact O-CB 3.42Å; L152-L159 PolarHBondContact O-N 3.28Å; L159-C177 HydrophobicContact CB-CB 4.21Å; L159-C177 HydrophobicContact CD2-CB 3.64Å; L159-C177 HydrophobicContact CG-CB 3.69Å; L159-C177 PolarHBondContact O-N 3.49Å; L159-L179 HydrophobicContact CD2-CD1 4.2Å; L159-F242 HydrophobicContact CD2-CD1 4Å; L159-F242 HydrophobicContact CD2-CE1 3.39Å; L159-F242 HydrophobicContact CD2-CZ 4.1Å; L159-A249 HydrophobicContact CD1-CB 3.96Å; L159-A249 HydrophobicContact CD2-CB 4.29Å; L159-A249 HydrophobicContact CG-CB 4.15Å; L159-F251 HydrophobicContact CB-CD1 4.04Å; L159-F251 HydrophobicContact CB-CE1 3.83Å; L159-F251 HydrophobicContact CD1-CD1 4.12Å; L159-F251 HydrophobicContact CD1-CD2 4.23Å; L159-F251 HydrophobicContact CD1-CE1 3.94Å; L159-F251 HydrophobicContact CD1-CE2 4.01Å; L159-F251 HydrophobicContact CD1-CG 4.28Å; L159-F251 HydrophobicContact CD1-CZ 3.88Å; L159-F251 HydrophobicContact CG-CE1 4.47Å
160V96.8Very high80.1Confident0 Ų056.2 Ų56.20%034%0.339CS..EExtended strand (participates in β ladder)trans-131.4161.3-178.4-62.80000111.1V174 K175 L176 A249 Y250 L252 L262V160-V174 HydrophobicContact CB-CG1 3.74Å; V160-V174 HydrophobicContact CG1-CG1 3.95Å; V160-V174 HydrophobicContact CG2-CG1 3.82Å; V160-K175 CarbonylContact C-O 3.49Å; V160-K175 WeakPolarHBondContact CA-O 3.23Å; V160-K175 WeakPolarHBondContact CB-O 3.35Å; V160-L176 HydrophobicContact CG1-CD2 4.37Å; V160-A249 CarbonylContact O-C 3.57Å; V160-A249 VanDerWaalsContact O-CA 3.29Å; V160-A249 WeakPolarHBondContact O-CA 3.34Å; V160-Y250 HydrophobicContact CG2-CD1 4.19Å; V160-Y250 HydrophobicContact CG2-CD2 3.9Å; V160-Y250 HydrophobicContact CG2-CE1 3.82Å; V160-Y250 HydrophobicContact CG2-CE2 3.51Å; V160-Y250 HydrophobicContact CG2-CG 4.23Å; V160-Y250 VanDerWaalsContact CG2-CZ 3.46Å; V160-Y250 VanDerWaalsContact CG2-O 3.3Å; V160-Y250 WeakPolarHBondContact CG2-O 3.19Å; V160-Y250 PolarHBondContact N-O 3.14Å; V160-Y250 PolarHBondContact O-N 3.19Å; V160-L252 HydrophobicContact CG1-CB 4.02Å; V160-L252 HydrophobicContact CG1-CD2 4.13Å; V160-L252 HydrophobicContact CG2-CB 3.87Å; V160-L252 HydrophobicContact CG2-CD1 4.24Å; V160-L262 HydrophobicContact CG1-CD2 4Å
161T94.3Very high78.5Confident38 Ų3864.7 Ų64.723%0.23338%0.379CS..EExtended strand (participates in β ladder)trans-124.8160.8169.459.40000109.7K175 C177 A249T161-K175 PolarHBondContact N-O 2.99Å; T161-K175 PolarHBondContact O-N 3.42Å; T161-C177 HydrophobicContact CG2-CB 3.9Å; T161-A249 HydrophobicContact CG2-CB 3.92Å
162L89.8Confident77.6Confident99 Ų9968.9 Ų68.952%0.51841%0.406SS..EExtended strand (participates in β ladder)trans-96.5119.7169-73.6164.1000108.8P172 V174 Y250L162-P172 HydrophobicContact CD2-CB 4.39Å; L162-V174 HydrophobicContact CD2-CG2 3.8Å; L162-Y250 HydrophobicContact CD1-CE1 4.18Å; L162-Y250 HydrophobicContact CG-CE1 4.01Å
163S74.4Confident77Confident38 Ų3872.7 Ų72.727%0.26642%0.424SS..EExtended strand (participates in β ladder)trans-99.9128.2173.265.90000110.3E173 K175S163-E173 PolarHBondContact N-O 2.98Å; S163-E173 PolarHBondContact O-N 2.8Å; S163-E173 PolarHBondContact OG-O 3.07Å; S163-K175 VanDerWaalsContact OG-CD 3.32Å; S163-K175 WeakPolarHBondContact OG-CD 3.38Å; S163-K175 VanDerWaalsContact OG-CE 3.29Å; S163-K175 WeakPolarHBondContact OG-CE 3.43Å; S163-K175 PolarHBondContact OG-NZ 2.8Å
164G59.6Low76.8Confident51 Ų5173 Ų7353%0.52643%0.426SS..  trans134.479.6-179.200000112.6
165G43.4Very low76.7Confident60 Ų6075.8 Ų75.862%0.61944%0.437SS*.  trans-96.3133.3172.500000111.6E167G165-E167 PolarHBondContact O-N 2.66Å
166V47.1Very low76.7Confident158 Ų15870.4 Ų70.496%0.95841%0.408SS*.SBendtrans38.5-28.7156.1-1610000121.1
167E47.5Very low76.6Confident192 Ų19269.8 Ų69.890%0.89741%0.406SS*.SBendtrans-115.76.4-170.9-70-173159.500115.1G165G165-E167 PolarHBondContact O-N 2.66Å
168S47.8Very low76.5Confident65 Ų6573.7 Ų73.746%0.45542%0.418SS..  trans-124.9131.8174.679.10000111.5K170S168-K170 PolarHBondContact O-N 3.12Å
169S51.7Low76.4Confident136 Ų13674 Ų7495%0.95142%0.42SS*.SBendtrans-66.420.217657.80000114.3
170K58.1Low76.3Confident169 Ų16978.6 Ų78.674%0.73544%0.438SS*.SBendtrans-102.7139-178.2-71.4-175.7177.3-179.30109.9S168S168-K170 PolarHBondContact O-N 3.12Å
171Q63.9Low76.2Confident179 Ų17980.7 Ų80.784%0.83645%0.448SS*.PPolyproline II helixtrans-60.4145.9173.7-69.5-155.8-8.800110.9E173Q171-E173 PolarHBondContact O-N 3.38Å
172P77.8Confident76.2Confident88 Ų8886 Ų8657%0.57147%0.467SS*.PPolyproline II helixtrans-59.9130.5179.124.5-33.4000110.5L162L162-P172 HydrophobicContact CD2-CB 4.39Å
173E86.7Confident76.3Confident79 Ų7983.1 Ų83.137%0.36945%0.453SS..EExtended strand (participates in β ladder)trans-111.5126.4-176.7-172-179.5-158.100110S163 Q171 K175S163-E173 PolarHBondContact N-O 2.98Å; S163-E173 PolarHBondContact O-N 2.8Å; S163-E173 PolarHBondContact OG-O 3.07Å; Q171-E173 PolarHBondContact O-N 3.38Å; E173-K175 VanDerWaalsContact CD-CE 3.5Å; E173-K175 HydrophobicContact CG-CG 4.48Å; E173-K175 WeakPolarHBondContact OE2-CE 3.18Å; E173-K175 IonicContact OE2-NZ 3.32Å; E173-K175 PolarHBondContact OE2-NZ 3.13Å
174V92.8Very high77.2Confident7 Ų781.3 Ų81.34%0.04244%0.44CS..EExtended strand (participates in β ladder)trans-71.9126174.7-177.10000109.1V160 L162 L252 Q261 L262 P263V160-V174 HydrophobicContact CB-CG1 3.74Å; V160-V174 HydrophobicContact CG1-CG1 3.95Å; V160-V174 HydrophobicContact CG2-CG1 3.82Å; L162-V174 HydrophobicContact CD2-CG2 3.8Å; V174-L252 HydrophobicContact CG1-CD1 4.29Å; V174-L252 HydrophobicContact CG1-CD2 4.33Å; V174-Q261 HydrophobicContact CB-CB 4.36Å; V174-Q261 HydrophobicContact CG2-CB 4.19Å; V174-L262 HydrophobicContact CG1-CD2 4.1Å; V174-P263 VanDerWaalsContact O-CD 3.29Å; V174-P263 WeakPolarHBondContact O-CD 3.48Å
175K94.2Very high78.8Confident70 Ų7084.2 Ų84.230%0.30444%0.438SS..EExtended strand (participates in β ladder)trans-131.7156.2177.6-67.6-174.5178.8150.60111.6V160 T161 S163 E173 C177 P263V160-K175 CarbonylContact C-O 3.49Å; V160-K175 WeakPolarHBondContact CA-O 3.23Å; V160-K175 WeakPolarHBondContact CB-O 3.35Å; T161-K175 PolarHBondContact N-O 2.99Å; T161-K175 PolarHBondContact O-N 3.42Å; S163-K175 VanDerWaalsContact OG-CD 3.32Å; S163-K175 WeakPolarHBondContact OG-CD 3.38Å; S163-K175 VanDerWaalsContact OG-CE 3.29Å; S163-K175 WeakPolarHBondContact OG-CE 3.43Å; S163-K175 PolarHBondContact OG-NZ 2.8Å; E173-K175 VanDerWaalsContact CD-CE 3.5Å; E173-K175 HydrophobicContact CG-CG 4.48Å; E173-K175 WeakPolarHBondContact OE2-CE 3.18Å; E173-K175 IonicContact OE2-NZ 3.32Å; E173-K175 PolarHBondContact OE2-NZ 3.13Å; K175-C177 PolarHBondContact O-N 3.15Å; K175-P263 HydrophobicContact CG-CG 4.21Å
176L94.8Very high81Confident7 Ų785.7 Ų85.74%0.03743%0.429CS..EExtended strand (participates in β ladder)trans-60.8131.6172.2-74.1178.6000111.3I151 P158 V160 R178 L262 E266 V270I151-L176 HydrophobicContact CD1-CD1 3.78Å; I151-L176 HydrophobicContact CG1-CD1 4.31Å; I151-L176 HydrophobicContact CG2-CD2 4.01Å; P158-L176 HydrophobicContact CB-CD2 4.08Å; V160-L176 HydrophobicContact CG1-CD2 4.37Å; L176-R178 PolarHBondContact O-N 3.25Å; L176-R178 VanDerWaalsContact O-N 3.13Å; L176-L262 HydrophobicContact CD2-CD2 4.48Å; L176-L262 HydrophobicContact CG-CD2 4.48Å; L176-E266 HydrophobicContact CD1-CB 3.75Å; L176-E266 HydrophobicContact CD1-CG 4.14Å; L176-E266 HydrophobicContact CG-CB 4.03Å; L176-E266 HydrophobicContact CG-CG 4.44Å; L176-E266 PolarHBondContact N-OE2 3.09Å; L176-V270 HydrophobicContact CD1-CG2 4.01Å; L176-V270 HydrophobicContact CD2-CG2 3.62Å; L176-V270 HydrophobicContact CG-CG2 4.25Å
177C94.9Very high83.1Confident16 Ų1678.5 Ų78.511%0.10839%0.385CS..  trans-74.8101.1168-169.10000108.3L159 T161 K175 L179L159-C177 HydrophobicContact CB-CB 4.21Å; L159-C177 HydrophobicContact CD2-CB 3.64Å; L159-C177 HydrophobicContact CG-CB 3.69Å; L159-C177 PolarHBondContact O-N 3.49Å; T161-C177 HydrophobicContact CG2-CB 3.9Å; K175-C177 PolarHBondContact O-N 3.15Å; C177-L179 PolarHBondContact O-N 3.13Å
178R94.8Very high85Confident96 Ų9671.1 Ų71.136%0.36235%0.351SS..EExtended strand (participates in β ladder)trans-81.8116.2177.9-61.5-176.8-166.1-166.50.3109.3V149 L176 W229 E266V149-R178 HydrophobicContact CG1-CB 3.95Å; V149-R178 HydrophobicContact CG1-CG 4.14Å; L176-R178 PolarHBondContact O-N 3.25Å; L176-R178 VanDerWaalsContact O-N 3.13Å; R178-W229 HydrophobicContact CG-CH2 4.22Å; R178-E266 IonicContact CZ-OE1 2.69Å; R178-E266 IonicContact NE-OE1 2.78Å; R178-E266 IonicContact NH2-OE1 2.83Å; R178-E266 PolarHBondContact NH2-OE1 2.86Å
179L96.1Very high86.5Confident7 Ų774.5 Ų74.54%0.03736%0.364CS..EExtended strand (participates in β ladder)trans-104.5162.4178-57.7179.8000110.6V149 Y150 L152 L159 C177 D183 V184 F242V149-L179 CarbonylContact C-O 3.27Å; V149-L179 WeakPolarHBondContact CA-O 3.24Å; Y150-L179 PolarHBondContact N-O 3.32Å; Y150-L179 PolarHBondContact O-N 3.35Å; L152-L179 HydrophobicContact CB-CD1 3.89Å; L152-L179 HydrophobicContact CD2-CD1 4.16Å; L159-L179 HydrophobicContact CD2-CD1 4.2Å; C177-L179 PolarHBondContact O-N 3.13Å; L179-D183 HydrophobicContact CB-CB 4.16Å; L179-D183 HydrophobicContact CD2-CB 4.26Å; L179-V184 HydrophobicContact CB-CG1 4.04Å; L179-V184 HydrophobicContact CD1-CG1 3.8Å; L179-F242 HydrophobicContact CD1-CE1 4.28Å; L179-F242 HydrophobicContact CD1-CE2 3.87Å; L179-F242 HydrophobicContact CD1-CZ 3.45Å; L179-F242 VanDerWaalsContact CD1-CZ 3.45Å; L179-F242 HydrophobicContact CD2-CZ 3.79Å; L179-F242 HydrophobicContact CG-CZ 4.28Å
180Y96.1Very high87.5Confident96 Ų9672.6 Ų72.638%0.37634%0.34SS..EExtended strand (participates in β ladder)trans-122.7171.1177.1-59.5-85.2000110.6P146 V149 K182 D183 V184P146-Y180 WeakPolarHBondContact O-CD1 3.49Å; V149-Y180 HydrophobicContact CG2-CE1 4.19Å; Y180-K182 PolarHBondContact O-N 3.34Å; Y180-D183 PolarHBondContact N-OD2 3.43Å; Y180-D183 WeakPolarHBondContact O-CB 3.29Å; Y180-D183 PolarHBondContact O-N 3.43Å; Y180-V184 PolarHBondContact O-N 3.09Å
181H94.8Very high87.5Confident44 Ų4469.8 Ų69.820%0.20434%0.342CS..Hα-helixtrans-49.3-41-177.817966.7000113.1Q143 Y150 D183 V184 K185Q143-H181 PolarHBondContact O-ND1 2.91Å; Y150-H181 HydrophobicContact CE2-CB 4.45Å; H181-D183 PolarHBondContact O-N 3.2Å; H181-V184 PolarHBondContact O-N 3.45Å; H181-K185 VanDerWaalsContact O-CB 3.32Å; H181-K185 WeakPolarHBondContact O-CB 3.37Å; H181-K185 PolarHBondContact O-N 2.85Å
182K93.7Very high87.5Confident148 Ų14869.8 Ų69.864%0.64334%0.342SS*.Hα-helixtrans-58.4-31.517971-178.4-177.41750113.7Y180Y180-K182 PolarHBondContact O-N 3.34Å
183D93.3Very high87.1Confident40 Ų4071.5 Ų71.521%0.21435%0.346CS..Hα-helixtrans-85.3-27.4-174.8-48.8-55.9000111L179 Y180 H181L179-D183 HydrophobicContact CB-CB 4.16Å; L179-D183 HydrophobicContact CD2-CB 4.26Å; Y180-D183 PolarHBondContact N-OD2 3.43Å; Y180-D183 WeakPolarHBondContact O-CB 3.29Å; Y180-D183 PolarHBondContact O-N 3.43Å; H181-D183 PolarHBondContact O-N 3.2Å
184V93.3Very high87.1Confident0 Ų069.9 Ų69.90%034%0.342CS..Hα-helixtrans-112.3-8.2-173.9-590000115.2Y150 L179 Y180 H181 Q186 Y187 L188 L232Y150-V184 HydrophobicContact CD1-CG2 3.9Å; Y150-V184 HydrophobicContact CD2-CG2 3.57Å; Y150-V184 HydrophobicContact CE1-CG2 4.08Å; Y150-V184 HydrophobicContact CE2-CG2 3.77Å; Y150-V184 HydrophobicContact CG-CG1 4.35Å; Y150-V184 HydrophobicContact CG-CG2 3.64Å; L179-V184 HydrophobicContact CB-CG1 4.04Å; L179-V184 HydrophobicContact CD1-CG1 3.8Å; Y180-V184 PolarHBondContact O-N 3.09Å; H181-V184 PolarHBondContact O-N 3.45Å; V184-Q186 PolarHBondContact O-N 3.37Å; V184-Y187 HydrophobicContact CB-CD2 4.41Å; V184-Y187 PolarHBondContact O-N 3.26Å; V184-L188 HydrophobicContact CG2-CD1 3.9Å; V184-L188 HydrophobicContact CG2-CG 4.28Å; V184-L188 PolarHBondContact O-N 2.94Å; V184-L188 VanDerWaalsContact O-N 3.15Å; V184-L232 HydrophobicContact CB-CD2 3.68Å; V184-L232 HydrophobicContact CG1-CD2 3.87Å; V184-L232 HydrophobicContact CG2-CD2 4.32Å
185K92.7Very high87.2Confident112 Ų11271.3 Ų71.349%0.48735%0.35SS..Hα-helixtrans-51-34.3-175.764.2-178.2-179.7178.50114.3H181 Y187 L188 N189H181-K185 VanDerWaalsContact O-CB 3.32Å; H181-K185 WeakPolarHBondContact O-CB 3.37Å; H181-K185 PolarHBondContact O-N 2.85Å; K185-Y187 VanDerWaalsContact C-N 3.3Å; K185-Y187 PolarHBondContact O-N 2.94Å; K185-L188 PolarHBondContact O-N 3.16Å; K185-N189 PolarHBondContact O-N 2.89Å; K185-N189 PolarHBondContact O-ND2 3.03Å
186Q90Very high87.3Confident91 Ų9169.7 Ų69.743%0.42535%0.345SS..Hα-helixtrans-66.9-33.1-179.965.6-175.3-11.800112.5V184 Q190V184-Q186 PolarHBondContact O-N 3.37Å; Q186-Q190 WeakPolarHBondContact O-CG 3.44Å
187Y89.5Confident87.5Confident6 Ų669.3 Ų69.32%0.02434%0.343CS..Hα-helixtrans-81.8-38.1178.3-51-66.3000110.8V184 K185 N189 Q190 V194 I234 F242V184-Y187 HydrophobicContact CB-CD2 4.41Å; V184-Y187 PolarHBondContact O-N 3.26Å; K185-Y187 VanDerWaalsContact C-N 3.3Å; K185-Y187 PolarHBondContact O-N 2.94Å; Y187-N189 PolarHBondContact O-N 2.92Å; Y187-Q190 WeakPolarHBondContact O-CB 3.19Å; Y187-Q190 PolarHBondContact O-N 3.31Å; Y187-V194 WeakPolarHBondContact O-CG2 3.43Å; Y187-I234 HydrophobicContact CD1-CG2 4.27Å; Y187-I234 HydrophobicContact CG-CG2 4.08Å; Y187-F242 AromaticContact CE2-CD2 3.73Å; Y187-F242 HydrophobicContact CE2-CD2 3.73Å; Y187-F242 HydrophobicContact CE2-CE2 4.24Å; Y187-F242 AromaticContact CZ-CD2 3.95Å; Y187-F242 WeakPolarHBondContact OH-CD2 3.06Å
188L87.7Confident87.6Confident38 Ų3868.6 Ų68.620%0.19934%0.338CS..Hα-helixtrans-59.2-29.5177-66.7174.4000113Y150 V184 K185 L196 L232Y150-L188 HydrophobicContact CE1-CD1 4.21Å; Y150-L188 HydrophobicContact CE1-CD2 4.13Å; Y150-L188 WeakPolarHBondContact OH-CD1 3.43Å; V184-L188 HydrophobicContact CG2-CD1 3.9Å; V184-L188 HydrophobicContact CG2-CG 4.28Å; V184-L188 PolarHBondContact O-N 2.94Å; V184-L188 VanDerWaalsContact O-N 3.15Å; K185-L188 PolarHBondContact O-N 3.16Å; L188-L196 HydrophobicContact CD2-CD1 4.16Å; L188-L196 HydrophobicContact CD2-CD2 4.22Å; L188-L232 HydrophobicContact CD2-CD1 3.97Å; L188-L232 HydrophobicContact CD2-CD2 4.43Å
189N79.3Confident87.8Confident135 Ų13564 Ų6472%0.72232%0.321SS*.THydrogen-bonded Turntrans-84.8-8.2178.6-66.3-17.3000113.6K185 Y187K185-N189 PolarHBondContact O-N 2.89Å; K185-N189 PolarHBondContact O-ND2 3.03Å; Y187-N189 PolarHBondContact O-N 2.92Å
190Q72.8Confident87.8Confident97 Ų9763.7 Ų63.745%0.45332%0.319SS..  trans-90.8100.7175.8-70.2170.3-6.800108.2Q186 Y187 E192 V194Q186-Q190 WeakPolarHBondContact O-CG 3.44Å; Y187-Q190 WeakPolarHBondContact O-CB 3.19Å; Y187-Q190 PolarHBondContact O-N 3.31Å; Q190-E192 PolarHBondContact O-N 3.17Å; Q190-V194 WeakPolarHBondContact O-CG2 3.38Å
191S58Low87.6Confident110 Ų11059.3 Ų59.377%0.76930%0.302SS*.  trans-80.5-15-16354.60000116.2
192E64.4Low87.3Confident178 Ų17859.2 Ų59.283%0.83230%0.302SS*.SBendtrans-92-26.9-165-68.2-173.3167.900114.9Q190Q190-E192 PolarHBondContact O-N 3.17Å
193D69.9Low86.2Confident125 Ų12557.2 Ų57.267%0.66830%0.298SS*.SBendtrans-127.99.5-171.1-73.1-40.1000115.6
194V86.3Confident84.5Confident44 Ų4463.1 Ų63.127%0.26732%0.324SS..  trans-97.2131.2-174.4176.30000111.7Y187 Q190 L232Y187-V194 WeakPolarHBondContact O-CG2 3.43Å; Q190-V194 WeakPolarHBondContact O-CG2 3.38Å; V194-L232 HydrophobicContact CG1-CD1 3.19Å; V194-L232 HydrophobicContact CG1-CG 4.44Å
195T94.2Very high82.3Confident37 Ų3770.3 Ų70.323%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-109.1116.5170.2-57.40000110I197 S233 L277 H280T195-I197 HydrophobicContact CG2-CD1 3.77Å; T195-I197 HydrophobicContact CG2-CG1 4.29Å; T195-S233 PolarHBondContact N-O 2.83Å; T195-S233 PolarHBondContact O-N 2.86Å; T195-L277 HydrophobicContact CG2-CD2 3.6Å; T195-H280 HydrophobicContact CG2-CB 4Å
196L96.7Very high80Confident36 Ų3669.4 Ų69.419%0.18835%0.353CS..EExtended strand (participates in β ladder)trans-112.3124.5180-176.571000110.9Q143 Y150 L188 F230 A231 L232Q143-L196 VanDerWaalsContact CD-CD2 3.44Å; Q143-L196 HydrophobicContact CG-CD2 3.87Å; Y150-L196 HydrophobicContact CD1-CD1 4.27Å; Y150-L196 HydrophobicContact CE1-CD1 3.78Å; L188-L196 HydrophobicContact CD2-CD1 4.16Å; L188-L196 HydrophobicContact CD2-CD2 4.22Å; L196-F230 HydrophobicContact CD1-CB 3.74Å; L196-F230 HydrophobicContact CD1-CD1 3.9Å; L196-F230 HydrophobicContact CD1-CG 4.09Å; L196-F230 HydrophobicContact CD2-CD1 4.14Å; L196-F230 HydrophobicContact CD2-CE1 4.42Å; L196-F230 HydrophobicContact CG-CD1 3.88Å; L196-A231 WeakPolarHBondContact CA-O 3.42Å; L196-L232 HydrophobicContact CD1-CB 4.37Å; L196-L232 HydrophobicContact CD1-CD1 4.01Å
197I98.4Very high77.5Confident0 Ų071.7 Ų71.70%037%0.365CS..EExtended strand (participates in β ladder)trans-122124.9-177.8-48.3-59.5000109.9T195 L199 F230 A231 V276 L277 H280 Y300T195-I197 HydrophobicContact CG2-CD1 3.77Å; T195-I197 HydrophobicContact CG2-CG1 4.29Å; I197-L199 HydrophobicContact CG2-CD2 4.16Å; I197-L199 PolarHBondContact O-N 2.97Å; I197-F230 CarbonylContact O-C 3.53Å; I197-F230 WeakPolarHBondContact O-CA 3.4Å; I197-A231 HydrophobicContact CB-CB 4.29Å; I197-A231 PolarHBondContact N-O 2.82Å; I197-A231 PolarHBondContact O-N 2.9Å; I197-V276 HydrophobicContact CD1-CG1 3.78Å; I197-V276 HydrophobicContact CG1-CG1 4.08Å; I197-V276 HydrophobicContact CG2-CB 4.27Å; I197-V276 HydrophobicContact CG2-CG1 3.82Å; I197-L277 HydrophobicContact CD1-CD2 4.35Å; I197-L277 HydrophobicContact CG1-CD2 3.66Å; I197-L277 HydrophobicContact CG1-CG 4.22Å; I197-H280 WeakPolarHBondContact CD1-NE2 3.49Å; I197-Y300 HydrophobicContact CG2-CE2 3.68Å
198F98.6Very high74.8Confident1 Ų178.4 Ų78.40%0.00440%0.401CS..EExtended strand (participates in β ladder)trans-73.8120170.8173.5-118.2000110.5R129 K132 R133 W138 L139 G200 V201 A228 F230 G298 Y300R129-F198 HydrophobicContact CB-CE1 4.27Å; R129-F198 HydrophobicContact CB-CZ 4.23Å; K132-F198 HydrophobicContact CB-CE1 4.24Å; R133-F198 HydrophobicContact CG-CD1 4.04Å; W138-F198 AromaticContact CH2-CE2 3.74Å; W138-F198 HydrophobicContact CH2-CE2 3.74Å; W138-F198 AromaticContact CH2-CZ 3.72Å; W138-F198 HydrophobicContact CH2-CZ 3.72Å; W138-F198 HydrophobicContact CZ3-CD2 4.32Å; W138-F198 HydrophobicContact CZ3-CE1 4.32Å; W138-F198 AromaticContact CZ3-CE2 3.68Å; W138-F198 HydrophobicContact CZ3-CE2 3.68Å; W138-F198 AromaticContact CZ3-CZ 3.68Å; W138-F198 HydrophobicContact CZ3-CZ 3.68Å; L139-F198 HydrophobicContact CD2-CB 3.9Å; L139-F198 HydrophobicContact CD2-CD1 4.18Å; L139-F198 HydrophobicContact CD2-CD2 3.98Å; L139-F198 HydrophobicContact CD2-CG 3.74Å; F198-G200 WeakPolarHBondContact CE2-O 3.32Å; F198-V201 HydrophobicContact CE2-CG1 4.4Å; F198-V201 HydrophobicContact CZ-CG1 4.17Å; F198-A228 HydrophobicContact CE2-CB 4.2Å; F198-F230 HydrophobicContact CB-CD1 4.05Å; F198-F230 HydrophobicContact CB-CE1 3.75Å; F198-F230 HydrophobicContact CB-CZ 4.5Å; F198-F230 HydrophobicContact CD2-CD1 4.44Å; F198-F230 AromaticContact CD2-CE1 3.97Å; F198-F230 HydrophobicContact CD2-CE1 3.97Å; F198-F230 HydrophobicContact CD2-CE2 4.33Å; F198-F230 AromaticContact CD2-CZ 3.9Å; F198-F230 HydrophobicContact CD2-CZ 3.9Å; F198-F230 HydrophobicContact CG-CE1 4.31Å; F198-G298 PolarHBondContact N-O 3.25Å; F198-Y300 WeakPolarHBondContact O-CE2 3.34Å; F198-Y300 PolarHBondContact O-OH 2.86Å
199L98.3Very high72.5Confident0 Ų082.6 Ų82.60%042%0.424CS..EExtended strand (participates in β ladder)trans-90.9-35.7-175.9-57.4178.9000112.1L126 I151 I197 W229 A231 V269 Q272 A273L126-L199 HydrophobicContact CD1-CB 3.66Å; I151-L199 HydrophobicContact CD1-CD1 3.86Å; I197-L199 HydrophobicContact CG2-CD2 4.16Å; I197-L199 PolarHBondContact O-N 2.97Å; L199-W229 HydrophobicContact CB-CB 4.17Å; L199-W229 PolarHBondContact N-O 2.99Å; L199-A231 HydrophobicContact CD1-CB 4.01Å; L199-A231 HydrophobicContact CD2-CB 3.92Å; L199-A231 HydrophobicContact CG-CB 4.2Å; L199-V269 HydrophobicContact CD1-CG1 3.73Å; L199-Q272 HydrophobicContact CD2-CG 4.32Å; L199-Q272 PolarHBondContact O-NE2 3.06Å; L199-A273 HydrophobicContact CD1-CB 4.28Å; L199-A273 HydrophobicContact CD2-CB 3.82Å
200G96.1Very high70.4Confident0 Ų082.5 Ų82.50%042%0.422CS..EExtended strand (participates in β ladder)trans149.5-161-175.600000111.8D127 F198 W229D127-G200 CarbonylContact O-C 3.54Å; D127-G200 WeakPolarHBondContact O-CA 3.41Å; F198-G200 WeakPolarHBondContact CE2-O 3.32Å; G200-W229 PolarHBondContact O-N 3.08Å
201V92.7Very high68.6Low4 Ų482.4 Ų82.42%0.02444%0.438CS..EExtended strand (participates in β ladder)trans-125.7151.8173.4-52.60000110L126 D127 R129 W138 F198 L203 L226 V227L126-V201 CarbonylContact C-O 3.54Å; L126-V201 VanDerWaalsContact CA-O 3.23Å; L126-V201 WeakPolarHBondContact CA-O 3.32Å; D127-V201 HydrophobicContact CB-CG2 4.21Å; D127-V201 PolarHBondContact N-O 3.02Å; D127-V201 PolarHBondContact O-N 3.28Å; R129-V201 HydrophobicContact CG-CB 4.34Å; R129-V201 HydrophobicContact CG-CG1 4.06Å; R129-V201 HydrophobicContact CG-CG2 3.46Å; R129-V201 VanDerWaalsContact CG-CG2 3.46Å; W138-V201 HydrophobicContact CH2-CG1 3.9Å; W138-V201 HydrophobicContact CZ2-CG1 4.24Å; F198-V201 HydrophobicContact CE2-CG1 4.4Å; F198-V201 HydrophobicContact CZ-CG1 4.17Å; V201-L203 PolarHBondContact O-N 3.18Å; V201-L226 HydrophobicContact CB-CB 4.21Å; V201-L226 HydrophobicContact CG1-CB 3.99Å; V201-L226 HydrophobicContact CG1-CD1 4.21Å; V201-L226 HydrophobicContact CG2-CD1 4.4Å; V201-L226 HydrophobicContact CG2-CD2 4.24Å; V201-V227 CarbonylContact C-O 3.58Å; V201-V227 WeakPolarHBondContact CA-O 3.4Å; V201-V227 WeakPolarHBondContact CB-O 3.31Å
202E87.3Confident67.5Low41 Ų4181 Ų8119%0.19243%0.434CS..EExtended strand (participates in β ladder)trans-58.3136.3178.3-66.4-171.6164.700112.2L126 Q204 V227 W229L126-E202 HydrophobicContact CD2-CG 4.25Å; E202-Q204 VanDerWaalsContact C-N 3.26Å; E202-Q204 PolarHBondContact O-N 2.88Å; E202-V227 HydrophobicContact CB-CB 4.37Å; E202-V227 HydrophobicContact CG-CB 4.07Å; E202-V227 HydrophobicContact CG-CG1 4Å; E202-V227 PolarHBondContact N-O 3.03Å; E202-W229 WeakPolarHBondContact OE1-CZ2 3.43Å; E202-W229 PolarHBondContact OE1-NE1 2.89Å
203L70.4Confident66.2Low107 Ų10780.3 Ų80.356%0.5643%0.43SS*.SBendtrans-66.7-26.5176.6-74.8166.8000112.9L125 D127 V201 F205L125-L203 WeakPolarHBondContact O-CB 3.2Å; L125-L203 WeakPolarHBondContact O-CG 3.29Å; L125-L203 PolarHBondContact O-N 2.7Å; D127-L203 HydrophobicContact CB-CD2 3.89Å; V201-L203 PolarHBondContact O-N 3.18Å; L203-F205 PolarHBondContact O-N 3.14Å
204Q57.4Low64.6Low163 Ų16381 Ų8176%0.76243%0.434SS*.SBendtrans-85.2108.1175.4-75.1-178.4-19.200109.3E202 H206E202-Q204 VanDerWaalsContact C-N 3.26Å; E202-Q204 PolarHBondContact O-N 2.88Å; Q204-H206 PolarHBondContact O-N 2.88Å; Q204-H206 VanDerWaalsContact O-N 3.16Å
205F47.8Very low62.3Low152 Ų15283.2 Ų83.267%0.66747%0.465SS*.  trans-52.1121.6165.2-115.7-96.3000108.6L203 M207 L226L203-F205 PolarHBondContact O-N 3.14Å; F205-M207 PolarHBondContact O-N 3.33Å; F205-L226 HydrophobicContact CE2-CD2 4.37Å; F205-L226 HydrophobicContact CZ-CD2 4.42Å
206H43.6Very low59.5Low93 Ų9392.4 Ų92.443%0.43150%0.496SS..  trans-77.361.5-178.3-13580.5000110.7Q204 N208 L209Q204-H206 PolarHBondContact O-N 2.88Å; Q204-H206 VanDerWaalsContact O-N 3.16Å; H206-N208 PolarHBondContact O-N 2.86Å; H206-L209 VanDerWaalsContact CD2-CB 3.44Å; H206-L209 WeakPolarHBondContact CD2-CB 3.19Å; H206-L209 WeakPolarHBondContact NE2-CD1 3.37Å
207M37.7Very low56.5Low139 Ų13997.5 Ų97.569%0.68553%0.528SS*.THydrogen-bonded Turntrans-81.510.8173.4-87.3-56.4-41.100113.4F205F205-M207 PolarHBondContact O-N 3.33Å
208N33.1Very low53.5Low146 Ų146103.5 Ų103.578%0.78156%0.559SS**THydrogen-bonded Turntrans-119.77.9-174.4-81.4-8.1000115.8H206H206-N208 PolarHBondContact O-N 2.86Å
209L38.9Very low50.5Low127 Ų127112.4 Ų112.467%0.66560%0.598SS**SBendtrans-115.46-179.4-124.8141.8000115H206H206-L209 VanDerWaalsContact CD2-CB 3.44Å; H206-L209 WeakPolarHBondContact CD2-CB 3.19Å; H206-L209 WeakPolarHBondContact NE2-CD1 3.37Å
210L36.3Very low47.6Very low132 Ų132122 Ų12269%0.69164%0.643SS**SBendtrans-115.4-2.8168.3-71.9169.6000114.4A212 L218L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 3.28Å; L210-L218 HydrophobicContact CD1-CD1 3.46Å; L210-L218 VanDerWaalsContact CD1-CD1 3.46Å
211A33.6Very low45.1Very low95 Ų95129.4 Ų129.479%0.78568%0.682SS**THydrogen-bonded Turntrans-77.6-7.6176.300000113.8
212A36Very low42.9Very low82 Ų82137.7 Ų137.768%0.67872%0.721SS**THydrogen-bonded Turntrans-110.2-3.2-174.200000115.6L210L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 3.28Å
213H36.2Very low41.6Very low163 Ų163141.1 Ų141.176%0.75574%0.737SS**SBendtrans-135.597.3173.6-84.9-42.7000112.9
214N35.9Very low41.6Very low140 Ų140139 Ų13975%0.74973%0.726SS**  trans5671.5151.5-64.8-8.2000116.9R216N214-R216 PolarHBondContact O-N 2.82Å
215G38.3Very low42.5Very low90 Ų90133.4 Ų133.493%0.92871%0.712SS**  trans4338135.500000118.4
216R35.4Very low44.3Very low229 Ų229127.1 Ų127.186%0.86469%0.686SS**  trans-110.9110.9172.1-80.7-175.3175.6-179.2-0.1108.5N214 L218N214-R216 PolarHBondContact O-N 2.82Å; R216-L218 PolarHBondContact O-N 3.36Å; R216-L218 VanDerWaalsContact O-N 3.12Å
217V34.2Very low46.5Very low144 Ų144123.5 Ų123.587%0.87367%0.67SS**  trans-55.8112.5163.6178.30000106.9K219V217-K219 PolarHBondContact O-N 3.17Å
218L36.6Very low49.3Very low125 Ų125116.9 Ų116.965%0.65464%0.637SS**  trans-66.4128.7170.1-75.6170.8000107.7L210 R216L210-L218 HydrophobicContact CD1-CD1 3.46Å; L210-L218 VanDerWaalsContact CD1-CD1 3.46Å; R216-L218 PolarHBondContact O-N 3.36Å; R216-L218 VanDerWaalsContact O-N 3.12Å
219K35.4Very low52.3Low188 Ų188109.9 Ų109.982%0.81760%0.6SS**  trans-58.9138.9172.6-74179.8171.8-177.30109V217 D221V217-K219 PolarHBondContact O-N 3.17Å; K219-D221 PolarHBondContact O-N 2.79Å
220E36.3Very low55.2Low202 Ų202104 Ų10494%0.94457%0.569SS**THydrogen-bonded Turntrans-64.315-175.1-73.3177.5142.600116.1
221D42.8Very low58.1Low155 Ų15597.7 Ų97.783%0.82954%0.536SS*.THydrogen-bonded Turntrans-116.2-1.3-171.7-84.4-33000116.9K219K219-D221 PolarHBondContact O-N 2.79Å
222E48Very low61.2Low178 Ų17893.2 Ų93.283%0.83250%0.499SS*.SBendtrans-137.5109.5-178.1-69-175.2161.900113.7
223E60.2Low64Low113 Ų11390.4 Ų90.453%0.52847%0.474SS..  trans86.2124.7165.8-56.9-167.7160.900119.3H145 G225H145-E223 IonicContact CD2-OE1 3.59Å; H145-E223 PolarHBondContact CD2-OE1 3.32Å; H145-E223 IonicContact CD2-OE2 3.4Å; H145-E223 PolarHBondContact CD2-OE2 2.78Å; H145-E223 VanDerWaalsContact CD2-OE2 3.24Å; H145-E223 IonicContact CE1-OE2 3.67Å; H145-E223 PolarHBondContact CE1-OE2 2.91Å; H145-E223 IonicContact CG-OE1 2.76Å; H145-E223 IonicContact NE2-OE1 2.76Å; H145-E223 PolarHBondContact NE2-OE1 2.63Å; H145-E223 IonicContact NE2-OE2 3.94Å; H145-E223 PolarHBondContact NE2-OE2 3.05Å; E223-G225 PolarHBondContact O-N 3.04Å
224D70.5Confident66.8Low63 Ų6382.9 Ų82.934%0.33744%0.44SS..  trans-636.717660.57.5000115.4W138 K142 L226W138-D224 PolarHBondContact NE1-OD2 2.85Å; K142-D224 VanDerWaalsContact CE-OD1 3.23Å; K142-D224 WeakPolarHBondContact CE-OD1 3.33Å; K142-D224 IonicContact NZ-OD1 3.7Å; K142-D224 PolarHBondContact NZ-OD1 3.25Å; D224-L226 HydrophobicContact CB-CD1 4.36Å; D224-L226 HydrophobicContact CB-CG 4.12Å; D224-L226 PolarHBondContact O-N 3.42Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.93Å; D224-L226 VanDerWaalsContact OD1-N 3.11Å; D224-L226 WeakPolarHBondContact OD2-CD1 3.38Å
225G75.8Confident69.5Low45 Ų4578.4 Ų78.446%0.46442%0.415SS..  trans65.23.9-178.500000114.9E223E223-G225 PolarHBondContact O-N 3.04Å
226L85.3Confident72Confident21 Ų2177.3 Ų77.311%0.1139%0.392CS..  trans-81.6128.6-173.3-60.2-178.4000111.6W138 K142 V201 F205 D224 A228W138-L226 HydrophobicContact CZ2-CD1 4.35Å; K142-L226 WeakPolarHBondContact CE-O 3.5Å; K142-L226 PolarHBondContact NZ-O 2.88Å; V201-L226 HydrophobicContact CB-CB 4.21Å; V201-L226 HydrophobicContact CG1-CB 3.99Å; V201-L226 HydrophobicContact CG1-CD1 4.21Å; V201-L226 HydrophobicContact CG2-CD1 4.4Å; V201-L226 HydrophobicContact CG2-CD2 4.24Å; F205-L226 HydrophobicContact CE2-CD2 4.37Å; F205-L226 HydrophobicContact CZ-CD2 4.42Å; D224-L226 HydrophobicContact CB-CD1 4.36Å; D224-L226 HydrophobicContact CB-CG 4.12Å; D224-L226 PolarHBondContact O-N 3.42Å; D224-L226 WeakPolarHBondContact OD1-CB 3.46Å; D224-L226 PolarHBondContact OD1-N 2.93Å; D224-L226 VanDerWaalsContact OD1-N 3.11Å; D224-L226 WeakPolarHBondContact OD2-CD1 3.38Å; L226-A228 PolarHBondContact O-N 3.16Å
227V90.4Very high74.6Confident16 Ų1670.7 Ų70.710%0.09738%0.377CS..  trans-86.1104.1172.2177.60000108.9T147 V149 V201 E202T147-V227 WeakPolarHBondContact O-CG1 3.28Å; V149-V227 HydrophobicContact CG2-CG1 4.16Å; V201-V227 CarbonylContact C-O 3.58Å; V201-V227 WeakPolarHBondContact CA-O 3.4Å; V201-V227 WeakPolarHBondContact CB-O 3.31Å; E202-V227 HydrophobicContact CB-CB 4.37Å; E202-V227 HydrophobicContact CG-CB 4.07Å; E202-V227 HydrophobicContact CG-CG1 4Å; E202-V227 PolarHBondContact N-O 3.03Å
228A95.1Very high77.4Confident0 Ų064.4 Ų64.40%034%0.339CS..EExtended strand (participates in β ladder)trans-80.7145.8-179.800000111.7W138 K142 T148 V149 F198 L226 F230W138-A228 HydrophobicContact CH2-CB 4.23Å; K142-A228 HydrophobicContact CB-CB 3.9Å; K142-A228 HydrophobicContact CD-CB 4.16Å; K142-A228 HydrophobicContact CG-CB 4.06Å; T148-A228 WeakPolarHBondContact CA-O 3.43Å; T148-A228 HydrophobicContact CG2-CB 4.38Å; T148-A228 WeakPolarHBondContact CG2-O 3.38Å; V149-A228 PolarHBondContact N-O 3.35Å; F198-A228 HydrophobicContact CE2-CB 4.2Å; L226-A228 PolarHBondContact O-N 3.16Å; A228-F230 HydrophobicContact CB-CE2 3.9Å
229W98Very high80Confident0 Ų058.5 Ų58.50%031%0.309CS..EExtended strand (participates in β ladder)trans-118.8136.4175.5-80.454.4000110.6L126 V149 I151 R178 L199 G200 E202 V269L126-W229 HydrophobicContact CD1-CB 3.78Å; L126-W229 HydrophobicContact CD1-CD2 4.29Å; L126-W229 HydrophobicContact CD1-CE3 4.34Å; L126-W229 HydrophobicContact CD1-CG 4.08Å; L126-W229 HydrophobicContact CD2-CB 4.08Å; L126-W229 HydrophobicContact CD2-CD2 3.83Å; L126-W229 HydrophobicContact CD2-CE3 4.48Å; L126-W229 HydrophobicContact CD2-CG 3.61Å; V149-W229 HydrophobicContact CB-CD2 3.76Å; V149-W229 HydrophobicContact CB-CE3 4.43Å; V149-W229 HydrophobicContact CB-CG 3.88Å; V149-W229 HydrophobicContact CB-CZ2 4.26Å; V149-W229 HydrophobicContact CG1-CD2 3.74Å; V149-W229 HydrophobicContact CG1-CE3 3.93Å; V149-W229 HydrophobicContact CG1-CG 4.36Å; V149-W229 HydrophobicContact CG1-CH2 4.09Å; V149-W229 HydrophobicContact CG1-CZ2 3.89Å; V149-W229 HydrophobicContact CG1-CZ3 4.1Å; V149-W229 HydrophobicContact CG2-CD2 4.44Å; V149-W229 HydrophobicContact CG2-CZ2 4.22Å; V149-W229 CarbonylContact O-C 3.6Å; V149-W229 VanDerWaalsContact O-CA 3.31Å; V149-W229 WeakPolarHBondContact O-CA 3.17Å; I151-W229 HydrophobicContact CD1-CE3 3.81Å; I151-W229 HydrophobicContact CD1-CZ3 3.82Å; I151-W229 HydrophobicContact CG1-CE3 4.12Å; I151-W229 HydrophobicContact CG1-CZ3 4.1Å; R178-W229 HydrophobicContact CG-CH2 4.22Å; L199-W229 HydrophobicContact CB-CB 4.17Å; L199-W229 PolarHBondContact N-O 2.99Å; G200-W229 PolarHBondContact O-N 3.08Å; E202-W229 WeakPolarHBondContact OE1-CZ2 3.43Å; E202-W229 PolarHBondContact OE1-NE1 2.89Å; W229-V269 HydrophobicContact CE3-CG1 4.16Å; W229-V269 HydrophobicContact CZ3-CG1 4.37Å
230F98.5Very high82.7Confident3 Ų354 Ų541%0.01329%0.291CS..EExtended strand (participates in β ladder)trans-128.1145.1175.5-67-96.2000111.7L139 K142 Q143 T148 V149 Y150 I151 L196 I197 F198 A228L139-F230 HydrophobicContact CD2-CE1 4.09Å; L139-F230 HydrophobicContact CD2-CZ 4.03Å; K142-F230 HydrophobicContact CB-CE2 4.31Å; K142-F230 HydrophobicContact CB-CZ 4.48Å; Q143-F230 HydrophobicContact CG-CE1 4.11Å; Q143-F230 HydrophobicContact CG-CE2 4.33Å; Q143-F230 HydrophobicContact CG-CZ 3.89Å; T148-F230 HydrophobicContact CG2-CD2 3.48Å; T148-F230 VanDerWaalsContact CG2-CD2 3.48Å; T148-F230 HydrophobicContact CG2-CE2 3.68Å; V149-F230 PolarHBondContact O-N 2.84Å; Y150-F230 CarbonylContact C-O 3.55Å; Y150-F230 WeakPolarHBondContact CA-O 3.09Å; Y150-F230 HydrophobicContact CD1-CB 3.79Å; Y150-F230 HydrophobicContact CE1-CB 3.78Å; Y150-F230 HydrophobicContact CE1-CD2 4.33Å; Y150-F230 HydrophobicContact CE1-CG 4.19Å; I151-F230 PolarHBondContact N-O 2.86Å; L196-F230 HydrophobicContact CD1-CB 3.74Å; L196-F230 HydrophobicContact CD1-CD1 3.9Å; L196-F230 HydrophobicContact CD1-CG 4.09Å; L196-F230 HydrophobicContact CD2-CD1 4.14Å; L196-F230 HydrophobicContact CD2-CE1 4.42Å; L196-F230 HydrophobicContact CG-CD1 3.88Å; I197-F230 CarbonylContact O-C 3.53Å; I197-F230 WeakPolarHBondContact O-CA 3.4Å; F198-F230 HydrophobicContact CB-CD1 4.05Å; F198-F230 HydrophobicContact CB-CE1 3.75Å; F198-F230 HydrophobicContact CB-CZ 4.5Å; F198-F230 HydrophobicContact CD2-CD1 4.44Å; F198-F230 AromaticContact CD2-CE1 3.97Å; F198-F230 HydrophobicContact CD2-CE1 3.97Å; F198-F230 HydrophobicContact CD2-CE2 4.33Å; F198-F230 AromaticContact CD2-CZ 3.9Å; F198-F230 HydrophobicContact CD2-CZ 3.9Å; F198-F230 HydrophobicContact CG-CE1 4.31Å; A228-F230 HydrophobicContact CB-CE2 3.9Å
231A98.3Very high85.2Confident0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-95.2132.5161.700000109.1I151 F153 L196 I197 L199 A273 L277I151-A231 WeakPolarHBondContact O-CA 3.23Å; F153-A231 HydrophobicContact CD2-CB 4.14Å; F153-A231 HydrophobicContact CE2-CB 3.99Å; L196-A231 WeakPolarHBondContact CA-O 3.42Å; I197-A231 HydrophobicContact CB-CB 4.29Å; I197-A231 PolarHBondContact N-O 2.82Å; I197-A231 PolarHBondContact O-N 2.9Å; L199-A231 HydrophobicContact CD1-CB 4.01Å; L199-A231 HydrophobicContact CD2-CB 3.92Å; L199-A231 HydrophobicContact CG-CB 4.2Å; A231-A273 HydrophobicContact CB-CB 3.64Å; A231-L277 HydrophobicContact CB-CD1 4.25Å
232L97.4Very high87.5Confident0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-122.1111.8-178.4178.665.3000108.9Y150 I151 L152 F153 V184 L188 V194 L196 I234Y150-L232 HydrophobicContact CD1-CB 4.26Å; Y150-L232 HydrophobicContact CD1-CD2 4.48Å; I151-L232 PolarHBondContact O-N 2.86Å; L152-L232 CarbonylContact C-O 3.5Å; L152-L232 WeakPolarHBondContact CA-O 3.36Å; L152-L232 HydrophobicContact CD1-CB 4.16Å; L152-L232 HydrophobicContact CD1-CD2 3.76Å; L152-L232 HydrophobicContact CD1-CG 3.91Å; F153-L232 PolarHBondContact N-O 3.41Å; V184-L232 HydrophobicContact CB-CD2 3.68Å; V184-L232 HydrophobicContact CG1-CD2 3.87Å; V184-L232 HydrophobicContact CG2-CD2 4.32Å; L188-L232 HydrophobicContact CD2-CD1 3.97Å; L188-L232 HydrophobicContact CD2-CD2 4.43Å; V194-L232 HydrophobicContact CG1-CD1 3.19Å; V194-L232 HydrophobicContact CG1-CG 4.44Å; L196-L232 HydrophobicContact CD1-CB 4.37Å; L196-L232 HydrophobicContact CD1-CD1 4.01Å; L232-I234 HydrophobicContact CD2-CG2 4.49Å; L232-I234 HydrophobicContact CG-CG2 4.2Å
233S96.1Very high89.5Confident23 Ų2337.5 Ų37.516%0.16121%0.206CC..EExtended strand (participates in β ladder)trans-93.1129.4172.6-1690000110.1F153 T195F153-S233 WeakPolarHBondContact O-CA 3.35Å; T195-S233 PolarHBondContact N-O 2.83Å; T195-S233 PolarHBondContact O-N 2.86Å
234I94.4Very high90.9Very high6 Ų639.1 Ų39.13%0.03121%0.213CC..  trans-120.2160.3176.759.4168.1000111L152 F153 Y187 L232 A239L152-I234 HydrophobicContact CD1-CD1 3.93Å; L152-I234 HydrophobicContact CD1-CG1 4.02Å; L152-I234 HydrophobicContact CD1-CG2 3.83Å; L152-I234 HydrophobicContact CD2-CD1 3.73Å; L152-I234 HydrophobicContact CD2-CG1 4.49Å; L152-I234 HydrophobicContact CG-CD1 3.96Å; L152-I234 HydrophobicContact CG-CG1 4.18Å; F153-I234 PolarHBondContact O-N 3.11Å; Y187-I234 HydrophobicContact CD1-CG2 4.27Å; Y187-I234 HydrophobicContact CG-CG2 4.08Å; L232-I234 HydrophobicContact CD2-CG2 4.49Å; L232-I234 HydrophobicContact CG-CG2 4.2Å; I234-A239 HydrophobicContact CD1-CB 3.98Å; I234-A239 HydrophobicContact CG1-CB 4.28Å
235D92Very high91.6Very high45 Ų4541.3 Ų41.324%0.24122%0.223CC..  trans-69.1158.5176.97791.6000111.9T237 S238 A239D235-T237 VanDerWaalsContact C-N 3.26Å; D235-T237 PolarHBondContact O-N 3.2Å; D235-T237 VanDerWaalsContact OD1-CA 3.29Å; D235-T237 WeakPolarHBondContact OD1-CA 3.43Å; D235-T237 WeakPolarHBondContact OD1-CB 3.38Å; D235-T237 PolarHBondContact OD1-N 3.34Å; D235-T237 PolarHBondContact OD1-OG1 2.92Å; D235-S238 PolarHBondContact O-N 3Å; D235-S238 PolarHBondContact OD1-N 2.92Å; D235-S238 WeakPolarHBondContact OD2-CB 3.42Å; D235-S238 PolarHBondContact OD2-OG 3.27Å; D235-A239 WeakPolarHBondContact O-CB 3.2Å; D235-A239 PolarHBondContact O-N 3.33Å
236P91Very high92.2Very high67 Ų6742.2 Ų42.244%0.43522%0.215SC..Hα-helixtrans-58.6-31.9-179.2-26.836.3000114.8A239 E240P236-A239 WeakPolarHBondContact O-CB 3.01Å; P236-A239 PolarHBondContact O-N 2.89Å; P236-E240 PolarHBondContact O-N 2.85Å
237T91.3Very high92.1Very high91 Ų9149.8 Ų49.856%0.55825%0.25SC*.Hα-helixtrans-69.8-44.8-179.9-45.80000110.5D235 A239 E240 K241D235-T237 VanDerWaalsContact C-N 3.26Å; D235-T237 PolarHBondContact O-N 3.2Å; D235-T237 VanDerWaalsContact OD1-CA 3.29Å; D235-T237 WeakPolarHBondContact OD1-CA 3.43Å; D235-T237 WeakPolarHBondContact OD1-CB 3.38Å; D235-T237 PolarHBondContact OD1-N 3.34Å; D235-T237 PolarHBondContact OD1-OG1 2.92Å; T237-A239 VanDerWaalsContact C-N 3.28Å; T237-A239 PolarHBondContact O-N 3.13Å; T237-E240 PolarHBondContact O-N 3.07Å; T237-K241 WeakPolarHBondContact O-CG 3.46Å; T237-K241 PolarHBondContact O-N 3.3Å
238S91.5Very high92Very high11 Ų1155.9 Ų55.98%0.07728%0.282CS..Hα-helixtrans-64-35.8174-67.30000112D235 K241 F242D235-S238 PolarHBondContact O-N 3Å; D235-S238 PolarHBondContact OD1-N 2.92Å; D235-S238 WeakPolarHBondContact OD2-CB 3.42Å; D235-S238 PolarHBondContact OD2-OG 3.27Å; S238-K241 PolarHBondContact O-N 3.49Å; S238-F242 WeakPolarHBondContact O-CB 3.48Å; S238-F242 PolarHBondContact O-N 3.2Å
239A91.9Very high91.9Very high2 Ų256.3 Ų56.32%0.01729%0.286CS..Hα-helixtrans-65.2-41.9177.400000112.7S154 I234 D235 P236 T237 F242 K243 F251S154-A239 WeakPolarHBondContact OG-CB 3.44Å; I234-A239 HydrophobicContact CD1-CB 3.98Å; I234-A239 HydrophobicContact CG1-CB 4.28Å; D235-A239 WeakPolarHBondContact O-CB 3.2Å; D235-A239 PolarHBondContact O-N 3.33Å; P236-A239 WeakPolarHBondContact O-CB 3.01Å; P236-A239 PolarHBondContact O-N 2.89Å; T237-A239 VanDerWaalsContact C-N 3.28Å; T237-A239 PolarHBondContact O-N 3.13Å; A239-F242 WeakPolarHBondContact O-CB 3.47Å; A239-F242 PolarHBondContact O-N 3.06Å; A239-K243 WeakPolarHBondContact O-CG 3.36Å; A239-K243 PolarHBondContact O-N 3.43Å; A239-F251 HydrophobicContact CB-CD2 4.47Å; A239-F251 HydrophobicContact CB-CE2 3.61Å; A239-F251 HydrophobicContact CB-CZ 3.85Å
240E91Very high91.7Very high92 Ų9259.9 Ų59.943%0.4330%0.299SS..Hα-helixtrans-66-40.7174.8-72.6-55.4137.200112.3P236 T237 F242 K243 Q244P236-E240 PolarHBondContact O-N 2.85Å; T237-E240 PolarHBondContact O-N 3.07Å; E240-F242 VanDerWaalsContact C-N 3.3Å; E240-F242 PolarHBondContact O-N 3.42Å; E240-K243 PolarHBondContact O-N 2.81Å; E240-K243 IonicContact OE1-NZ 3.13Å; E240-K243 PolarHBondContact OE1-NZ 3.17Å; E240-K243 IonicContact OE2-NZ 3.59Å; E240-K243 PolarHBondContact OE2-NZ 2.98Å; E240-Q244 WeakPolarHBondContact O-CG 3.49Å; E240-Q244 PolarHBondContact O-N 3.33Å; E240-Q244 VanDerWaalsContact O-N 3.1Å
241K90.6Very high91.6Very high121 Ų12160.6 Ų60.653%0.52630%0.303SS..Hα-helixtrans-60.7-40.6172.6-70174.9-177.41740111.7T237 S238 Q244 M245T237-K241 WeakPolarHBondContact O-CG 3.46Å; T237-K241 PolarHBondContact O-N 3.3Å; S238-K241 PolarHBondContact O-N 3.49Å; K241-Q244 PolarHBondContact O-N 3.11Å; K241-M245 PolarHBondContact O-N 3.12Å
242F90.8Very high91.5Very high1 Ų160.8 Ų60.80%0.00430%0.304CS..Hα-helixtrans-62-47.2177.1-167.5-82.4000111.3L152 L159 L179 Y187 S238 A239 E240 Q244 M245 H246L152-F242 HydrophobicContact CD2-CB 4.39Å; L152-F242 HydrophobicContact CD2-CD1 3.89Å; L152-F242 HydrophobicContact CD2-CD2 3.76Å; L152-F242 HydrophobicContact CD2-CE1 4.12Å; L152-F242 HydrophobicContact CD2-CE2 3.98Å; L152-F242 HydrophobicContact CD2-CG 3.72Å; L152-F242 HydrophobicContact CD2-CZ 4.17Å; L159-F242 HydrophobicContact CD2-CD1 4Å; L159-F242 HydrophobicContact CD2-CE1 3.39Å; L159-F242 HydrophobicContact CD2-CZ 4.1Å; L179-F242 HydrophobicContact CD1-CE1 4.28Å; L179-F242 HydrophobicContact CD1-CE2 3.87Å; L179-F242 HydrophobicContact CD1-CZ 3.45Å; L179-F242 VanDerWaalsContact CD1-CZ 3.45Å; L179-F242 HydrophobicContact CD2-CZ 3.79Å; L179-F242 HydrophobicContact CG-CZ 4.28Å; Y187-F242 AromaticContact CE2-CD2 3.73Å; Y187-F242 HydrophobicContact CE2-CD2 3.73Å; Y187-F242 HydrophobicContact CE2-CE2 4.24Å; Y187-F242 AromaticContact CZ-CD2 3.95Å; Y187-F242 WeakPolarHBondContact OH-CD2 3.06Å; S238-F242 WeakPolarHBondContact O-CB 3.48Å; S238-F242 PolarHBondContact O-N 3.2Å; A239-F242 WeakPolarHBondContact O-CB 3.47Å; A239-F242 PolarHBondContact O-N 3.06Å; E240-F242 VanDerWaalsContact C-N 3.3Å; E240-F242 PolarHBondContact O-N 3.42Å; F242-Q244 VanDerWaalsContact C-N 3.3Å; F242-Q244 PolarHBondContact O-N 2.9Å; F242-M245 PolarHBondContact O-N 3.49Å; F242-M245 VanDerWaalsContact O-N 3.07Å; F242-H246 HydrophobicContact CD1-CB 4.37Å; F242-H246 AromaticContact CD1-CD2 3.66Å; F242-H246 HydrophobicContact CE1-CB 4.01Å; F242-H246 AromaticContact CE1-CD2 3.21Å; F242-H246 WeakPolarHBondContact CE1-CD2 3.39Å; F242-H246 AromaticContact CE1-CG 3.69Å; F242-H246 AromaticContact CE1-NE2 3.92Å; F242-H246 AromaticContact CE2-CD2 3.72Å; F242-H246 AromaticContact CE2-NE2 3.71Å; F242-H246 AromaticContact CZ-CD2 3.25Å; F242-H246 WeakPolarHBondContact CZ-CD2 3.35Å; F242-H246 AromaticContact CZ-CG 3.99Å; F242-H246 AromaticContact CZ-NE2 3.44Å; F242-H246 WeakPolarHBondContact CZ-NE2 3.23Å; F242-H246 PolarHBondContact O-CD2 3.36Å; F242-H246 PolarHBondContact O-N 3.27Å; F242-H246 VanDerWaalsContact O-N 3.16Å
243K89.6Confident91.4Very high68 Ų6867.2 Ų67.230%0.29633%0.334SS..Hα-helixtrans-58-40.2177.3-72.6165.264.2-1540112.6A239 E240 M245 H246 F251A239-K243 WeakPolarHBondContact O-CG 3.36Å; A239-K243 PolarHBondContact O-N 3.43Å; E240-K243 PolarHBondContact O-N 2.81Å; E240-K243 IonicContact OE1-NZ 3.13Å; E240-K243 PolarHBondContact OE1-NZ 3.17Å; E240-K243 IonicContact OE2-NZ 3.59Å; E240-K243 PolarHBondContact OE2-NZ 2.98Å; K243-M245 PolarHBondContact O-N 3.47Å; K243-H246 CarbonylContact O-C 3.53Å; K243-H246 VanDerWaalsContact O-C 3.27Å; K243-H246 PolarHBondContact O-N 3.26Å; K243-H246 VanDerWaalsContact O-N 3.14Å; K243-F251 HydrophobicContact CD-CD2 3.98Å; K243-F251 HydrophobicContact CD-CE2 4.12Å; K243-F251 HydrophobicContact CG-CD2 4.23Å; K243-F251 HydrophobicContact CG-CE2 4.05Å
244Q88.8Confident91.3Very high146 Ų14670.1 Ų70.168%0.68235%0.352SS*.Hα-helixtrans-63.2-27.5177.8-71.1171.34.100113.2E240 K241 F242E240-Q244 WeakPolarHBondContact O-CG 3.49Å; E240-Q244 PolarHBondContact O-N 3.33Å; E240-Q244 VanDerWaalsContact O-N 3.1Å; K241-Q244 PolarHBondContact O-N 3.11Å; F242-Q244 VanDerWaalsContact C-N 3.3Å; F242-Q244 PolarHBondContact O-N 2.9Å
245M86.6Confident91.2Very high109 Ų10971.1 Ų71.154%0.53736%0.358SS..Hα-helixtrans-89.4-14.1176.9-64.2-177.4-62.500113.1K241 F242 K243K241-M245 PolarHBondContact O-N 3.12Å; F242-M245 PolarHBondContact O-N 3.49Å; F242-M245 VanDerWaalsContact O-N 3.07Å; K243-M245 PolarHBondContact O-N 3.47Å
246H87Confident91.1Very high64 Ų6472.7 Ų72.730%0.29637%0.365SS..  trans-135.373.8-173.4-64.9-77.2000110.4F242 K243 D248 A249F242-H246 HydrophobicContact CD1-CB 4.37Å; F242-H246 AromaticContact CD1-CD2 3.66Å; F242-H246 HydrophobicContact CE1-CB 4.01Å; F242-H246 AromaticContact CE1-CD2 3.21Å; F242-H246 WeakPolarHBondContact CE1-CD2 3.39Å; F242-H246 AromaticContact CE1-CG 3.69Å; F242-H246 AromaticContact CE1-NE2 3.92Å; F242-H246 AromaticContact CE2-CD2 3.72Å; F242-H246 AromaticContact CE2-NE2 3.71Å; F242-H246 AromaticContact CZ-CD2 3.25Å; F242-H246 WeakPolarHBondContact CZ-CD2 3.35Å; F242-H246 AromaticContact CZ-CG 3.99Å; F242-H246 AromaticContact CZ-NE2 3.44Å; F242-H246 WeakPolarHBondContact CZ-NE2 3.23Å; F242-H246 PolarHBondContact O-CD2 3.36Å; F242-H246 PolarHBondContact O-N 3.27Å; F242-H246 VanDerWaalsContact O-N 3.16Å; K243-H246 CarbonylContact O-C 3.53Å; K243-H246 VanDerWaalsContact O-C 3.27Å; K243-H246 PolarHBondContact O-N 3.26Å; K243-H246 VanDerWaalsContact O-N 3.14Å; H246-D248 PolarHBondContact O-N 3.04Å; H246-D248 VanDerWaalsContact O-N 3.14Å; H246-A249 HydrophobicContact CB-CB 4.23Å; H246-A249 PolarHBondContact O-N 3.48Å
247E83.2Confident91Very high180 Ų18073.1 Ų73.184%0.84137%0.368SS*.THydrogen-bonded Turntrans-59.6-26.4-174.5-64.3-175.2172.700113.8A249E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.01Å
248D87.9Confident91.1Very high144 Ų14469.1 Ų69.177%0.7734%0.344SS*.THydrogen-bonded Turntrans-80.5-2.4179.4-60.2-37.1000114.1H246H246-D248 PolarHBondContact O-N 3.04Å; H246-D248 VanDerWaalsContact O-N 3.14Å
249A93.3Very high91.2Very high10 Ų1068.8 Ų68.88%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-119.9143.8-174.900000112.6L159 V160 T161 H246 E247L159-A249 HydrophobicContact CD1-CB 3.96Å; L159-A249 HydrophobicContact CD2-CB 4.29Å; L159-A249 HydrophobicContact CG-CB 4.15Å; V160-A249 CarbonylContact O-C 3.57Å; V160-A249 VanDerWaalsContact O-CA 3.29Å; V160-A249 WeakPolarHBondContact O-CA 3.34Å; T161-A249 HydrophobicContact CG2-CB 3.92Å; H246-A249 HydrophobicContact CB-CB 4.23Å; H246-A249 PolarHBondContact O-N 3.48Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 3.01Å
250Y95.1Very high91.2Very high74 Ų7469.4 Ų69.429%0.2934%0.344SS..EExtended strand (participates in β ladder)trans-146.6159.217766-83000111.5V160 L162 L252V160-Y250 HydrophobicContact CG2-CD1 4.19Å; V160-Y250 HydrophobicContact CG2-CD2 3.9Å; V160-Y250 HydrophobicContact CG2-CE1 3.82Å; V160-Y250 HydrophobicContact CG2-CE2 3.51Å; V160-Y250 HydrophobicContact CG2-CG 4.23Å; V160-Y250 VanDerWaalsContact CG2-CZ 3.46Å; V160-Y250 VanDerWaalsContact CG2-O 3.3Å; V160-Y250 WeakPolarHBondContact CG2-O 3.19Å; V160-Y250 PolarHBondContact N-O 3.14Å; V160-Y250 PolarHBondContact O-N 3.19Å; L162-Y250 HydrophobicContact CD1-CE1 4.18Å; L162-Y250 HydrophobicContact CG-CE1 4.01Å; Y250-L252 HydrophobicContact CE2-CD1 4Å
251F96.5Very high91.3Very high19 Ų1969.8 Ų69.88%0.08335%0.346CS..EExtended strand (participates in β ladder)trans-85.3124.9175.2-66.9-79.2000110.6L152 S157 P158 L159 A239 K243 H253L152-F251 HydrophobicContact CD2-CE1 4.48Å; L152-F251 HydrophobicContact CD2-CZ 4.08Å; L152-F251 HydrophobicContact CG-CE1 4.33Å; L152-F251 HydrophobicContact CG-CZ 4.36Å; S157-F251 VanDerWaalsContact O-CD1 3.31Å; S157-F251 WeakPolarHBondContact O-CD1 3.46Å; P158-F251 WeakPolarHBondContact O-CA 3.34Å; L159-F251 HydrophobicContact CB-CD1 4.04Å; L159-F251 HydrophobicContact CB-CE1 3.83Å; L159-F251 HydrophobicContact CD1-CD1 4.12Å; L159-F251 HydrophobicContact CD1-CD2 4.23Å; L159-F251 HydrophobicContact CD1-CE1 3.94Å; L159-F251 HydrophobicContact CD1-CE2 4.01Å; L159-F251 HydrophobicContact CD1-CG 4.28Å; L159-F251 HydrophobicContact CD1-CZ 3.88Å; L159-F251 HydrophobicContact CG-CE1 4.47Å; A239-F251 HydrophobicContact CB-CD2 4.47Å; A239-F251 HydrophobicContact CB-CE2 3.61Å; A239-F251 HydrophobicContact CB-CZ 3.85Å; K243-F251 HydrophobicContact CD-CD2 3.98Å; K243-F251 HydrophobicContact CD-CE2 4.12Å; K243-F251 HydrophobicContact CG-CD2 4.23Å; K243-F251 HydrophobicContact CG-CE2 4.05Å; F251-H253 PolarHBondContact O-N 3.11Å; F251-H253 PolarHBondContact O-ND1 3Å
252L96.3Very high91.4Very high4 Ų464 Ų642%0.02132%0.321CS..  trans-74.6111.2-172.9-171.262.7000111.9S157 P158 V160 V174 Y250 A258 L259 L262S157-L252 WeakPolarHBondContact CB-O 3.35Å; P158-L252 HydrophobicContact CG-CB 4.14Å; P158-L252 PolarHBondContact O-N 3.35Å; V160-L252 HydrophobicContact CG1-CB 4.02Å; V160-L252 HydrophobicContact CG1-CD2 4.13Å; V160-L252 HydrophobicContact CG2-CB 3.87Å; V160-L252 HydrophobicContact CG2-CD1 4.24Å; V174-L252 HydrophobicContact CG1-CD1 4.29Å; V174-L252 HydrophobicContact CG1-CD2 4.33Å; Y250-L252 HydrophobicContact CE2-CD1 4Å; L252-A258 HydrophobicContact CD1-CB 3.73Å; L252-A258 HydrophobicContact CD2-CB 4.4Å; L252-A258 HydrophobicContact CG-CB 3.8Å; L252-L259 HydrophobicContact CD2-CD2 4.22Å; L252-L262 HydrophobicContact CD2-CD1 4.31Å; L252-L262 HydrophobicContact CD2-CD2 4.43Å; L252-L262 HydrophobicContact CD2-CG 4.16Å
253H94.2Very high91.5Very high135 Ų13565.1 Ų65.163%0.62533%0.329SS*.  trans-148.7156.3-178.670.3-72.3000111.5F251F251-H253 PolarHBondContact O-N 3.11Å; F251-H253 PolarHBondContact O-ND1 3Å
254P94.4Very high91.5Very high84 Ų8466.4 Ų66.455%0.54534%0.336SS..SBendcis-67.3154-12.331.8-35.8000110.8M256 A258P254-M256 VanDerWaalsContact C-N 3.3Å; P254-M256 PolarHBondContact O-N 3.44Å; P254-A258 WeakPolarHBondContact O-CB 3.2Å
255P92.1Very high91.5Very high26 Ų2664.9 Ų64.917%0.16933%0.327CS..Hα-helixtrans-66.7-27.3-168.98.5-8.7000114.1A258 L259 M394P255-A258 PolarHBondContact O-N 3.19Å; P255-L259 HydrophobicContact CB-CD1 3.68Å; P255-L259 HydrophobicContact CB-CG 3.97Å; P255-L259 VanDerWaalsContact O-CB 3.24Å; P255-L259 WeakPolarHBondContact O-CB 3.25Å; P255-L259 WeakPolarHBondContact O-CG 3.39Å; P255-L259 PolarHBondContact O-N 3Å; P255-M394 VanDerWaalsContact C-CE 3.47Å; P255-M394 HydrophobicContact CB-CE 3.43Å; P255-M394 VanDerWaalsContact CB-CE 3.43Å; P255-M394 HydrophobicContact CB-SD 3.79Å; P255-M394 HydrophobicContact CG-CE 3.73Å; P255-M394 HydrophobicContact CG-SD 4.06Å
256M90Very high91.9Very high79 Ų7960.3 Ų60.339%0.38930%0.304SS..Hα-helixtrans-110.1128.1167.6-176.365-177.800109.3P254 L260 W392 M394P254-M256 VanDerWaalsContact C-N 3.3Å; P254-M256 PolarHBondContact O-N 3.44Å; M256-L260 HydrophobicContact CE-CD1 3.77Å; M256-L260 HydrophobicContact SD-CD1 3.97Å; M256-L260 HydrophobicContact SD-CG 4.31Å; M256-W392 HydrophobicContact CE-CH2 3.87Å; M256-W392 HydrophobicContact CE-CZ2 4.14Å; M256-W392 HydrophobicContact CG-CZ2 4.32Å; M256-W392 HydrophobicContact SD-CH2 3.4Å; M256-W392 WeakPolarHBondContact SD-CH2 3.34Å; M256-W392 HydrophobicContact SD-CZ2 3.5Å; M256-W392 VanDerWaalsContact SD-CZ2 3.5Å; M256-M394 HydrophobicContact CB-CE 3.52Å
257P89.3Confident92.3Very high76 Ų7657.3 Ų57.349%0.49429%0.29SS..Hα-helixcis-89.87.4-0.237.2-35.5000114.7L259 L260P257-L259 VanDerWaalsContact C-N 3.32Å; P257-L259 PolarHBondContact O-N 3.13Å; P257-L260 VanDerWaalsContact O-CB 3.28Å; P257-L260 WeakPolarHBondContact O-CB 3.39Å; P257-L260 PolarHBondContact O-N 2.69Å
258A93Very high92.9Very high6 Ų648.9 Ų48.95%0.0525%0.252CS..Hα-helixtrans-60.6-36.6-168.400000114L252 P254 P255 L260 Q261L252-A258 HydrophobicContact CD1-CB 3.73Å; L252-A258 HydrophobicContact CD2-CB 4.4Å; L252-A258 HydrophobicContact CG-CB 3.8Å; P254-A258 WeakPolarHBondContact O-CB 3.2Å; P255-A258 PolarHBondContact O-N 3.19Å; A258-L260 PolarHBondContact O-N 3.06Å; A258-L260 VanDerWaalsContact O-N 3.15Å; A258-Q261 VanDerWaalsContact O-CB 3.26Å; A258-Q261 WeakPolarHBondContact O-CB 3.27Å; A258-Q261 WeakPolarHBondContact O-CG 3.38Å; A258-Q261 PolarHBondContact O-N 2.98Å
259L94.7Very high93.3Very high4 Ų442 Ų422%0.02122%0.215CC..G310 helixtrans-60.7-24.7175.8-70.7175.6000113Y120 F121 P158 L252 P255 P257 Q261 L262 V270 P393Y120-L259 PolarHBondContact OH-O 3.21Å; F121-L259 HydrophobicContact CE1-CB 4.18Å; F121-L259 HydrophobicContact CZ-CB 3.77Å; P158-L259 HydrophobicContact CG-CD2 4Å; L252-L259 HydrophobicContact CD2-CD2 4.22Å; P255-L259 HydrophobicContact CB-CD1 3.68Å; P255-L259 HydrophobicContact CB-CG 3.97Å; P255-L259 VanDerWaalsContact O-CB 3.24Å; P255-L259 WeakPolarHBondContact O-CB 3.25Å; P255-L259 WeakPolarHBondContact O-CG 3.39Å; P255-L259 PolarHBondContact O-N 3Å; P257-L259 VanDerWaalsContact C-N 3.32Å; P257-L259 PolarHBondContact O-N 3.13Å; L259-Q261 PolarHBondContact O-N 3.03Å; L259-L262 HydrophobicContact CD2-CD1 4.12Å; L259-L262 PolarHBondContact O-N 3.03Å; L259-V270 HydrophobicContact CD2-CG1 3.73Å; L259-P393 HydrophobicContact CD1-CG 4.27Å
260L91.5Very high93.5Very high15 Ų1541.6 Ų41.68%0.07921%0.211CC..G310 helixtrans-74.83174.2-58.9-178.7000113.1Y120 F121 M256 P257 A258 W392 P445 R447Y120-L260 HydrophobicContact CD1-CD2 3.7Å; Y120-L260 HydrophobicContact CE1-CD2 3.67Å; F121-L260 HydrophobicContact CE2-CD2 3.86Å; F121-L260 HydrophobicContact CZ-CD2 4.03Å; M256-L260 HydrophobicContact CE-CD1 3.77Å; M256-L260 HydrophobicContact SD-CD1 3.97Å; M256-L260 HydrophobicContact SD-CG 4.31Å; P257-L260 VanDerWaalsContact O-CB 3.28Å; P257-L260 WeakPolarHBondContact O-CB 3.39Å; P257-L260 PolarHBondContact O-N 2.69Å; A258-L260 PolarHBondContact O-N 3.06Å; A258-L260 VanDerWaalsContact O-N 3.15Å; L260-W392 HydrophobicContact CD1-CH2 4.49Å; L260-W392 HydrophobicContact CD2-CH2 4.35Å; L260-W392 HydrophobicContact CD2-CZ3 4.11Å; L260-P445 HydrophobicContact CD1-CG 4.44Å; L260-R447 HydrophobicContact CD2-CB 4.13Å; L260-R447 WeakPolarHBondContact O-CD 3.39Å; L260-R447 PolarHBondContact O-NH1 2.86Å
261Q91.7Very high93.6Very high100 Ų10038.2 Ų38.247%0.46720%0.199SC..G310 helixtrans-89.6-21.7174-60.2177.435.700112.2V174 A258 L259 R447V174-Q261 HydrophobicContact CB-CB 4.36Å; V174-Q261 HydrophobicContact CG2-CB 4.19Å; A258-Q261 VanDerWaalsContact O-CB 3.26Å; A258-Q261 WeakPolarHBondContact O-CB 3.27Å; A258-Q261 WeakPolarHBondContact O-CG 3.38Å; A258-Q261 PolarHBondContact O-N 2.98Å; L259-Q261 PolarHBondContact O-N 3.03Å; Q261-R447 PolarHBondContact O-NH1 2.91Å
262L93Very high93.7Very high0 Ų037.8 Ų37.80%020%0.197CC..SBendtrans-63.8155.6-178-69.8168.4000112.7Y120 V160 V174 L176 L252 L259 A267 V270 R447Y120-L262 WeakPolarHBondContact CE2-O 3.29Å; Y120-L262 VanDerWaalsContact OH-C 3.31Å; Y120-L262 PolarHBondContact OH-N 3.44Å; Y120-L262 PolarHBondContact OH-O 3.16Å; V160-L262 HydrophobicContact CG1-CD2 4Å; V174-L262 HydrophobicContact CG1-CD2 4.1Å; L176-L262 HydrophobicContact CD2-CD2 4.48Å; L176-L262 HydrophobicContact CG-CD2 4.48Å; L252-L262 HydrophobicContact CD2-CD1 4.31Å; L252-L262 HydrophobicContact CD2-CD2 4.43Å; L252-L262 HydrophobicContact CD2-CG 4.16Å; L259-L262 HydrophobicContact CD2-CD1 4.12Å; L259-L262 PolarHBondContact O-N 3.03Å; L262-A267 HydrophobicContact CB-CB 4.13Å; L262-V270 HydrophobicContact CD1-CB 4.29Å; L262-V270 HydrophobicContact CD1-CG2 3.83Å; L262-R447 PolarHBondContact O-NH1 3.05Å
263P92.8Very high93.8Very high25 Ų2537.6 Ų37.616%0.16220%0.196CC..  trans-59.3141.9165.4-2232.7000110.3V174 K175 K265 E266 A267V174-P263 VanDerWaalsContact O-CD 3.29Å; V174-P263 WeakPolarHBondContact O-CD 3.48Å; K175-P263 HydrophobicContact CG-CG 4.21Å; P263-K265 VanDerWaalsContact C-N 3.26Å; P263-K265 PolarHBondContact O-N 2.85Å; P263-K265 VanDerWaalsContact O-N 3.16Å; P263-E266 HydrophobicContact CB-CB 4.45Å; P263-E266 HydrophobicContact CB-CG 4.37Å; P263-E266 HydrophobicContact CG-CG 4.48Å; P263-E266 PolarHBondContact O-N 2.83Å; P263-A267 PolarHBondContact O-N 2.87Å
264E90.4Very high94Very high95 Ų9532.1 Ų32.144%0.44417%0.17SC..Hα-helixtrans-52.9-44.4-171-52.4-175.4154.900113.2Y120 I123 A267 G268Y120-E264 HydrophobicContact CD2-CB 4.08Å; Y120-E264 HydrophobicContact CD2-CG 3.75Å; Y120-E264 HydrophobicContact CE2-CB 4.2Å; Y120-E264 HydrophobicContact CE2-CG 3.89Å; I123-E264 HydrophobicContact CD1-CB 4.18Å; E264-A267 WeakPolarHBondContact O-CB 3.21Å; E264-A267 PolarHBondContact O-N 2.9Å; E264-G268 PolarHBondContact O-N 3.4Å; E264-G268 VanDerWaalsContact O-N 3.15Å
265K89.5Confident94.2Very high114 Ų11429.4 Ų29.450%0.49615%0.153SC..Hα-helixtrans-64.2-35.5178.4-80.8-178175.1-165.70113.6I123 L125 P263I123-K265 HydrophobicContact CG2-CG 3.68Å; L125-K265 HydrophobicContact CD1-CB 4.22Å; L125-K265 HydrophobicContact CD2-CB 4Å; L125-K265 HydrophobicContact CD2-CD 3.63Å; L125-K265 HydrophobicContact CD2-CG 4.16Å; L125-K265 HydrophobicContact CG-CB 3.82Å; L125-K265 HydrophobicContact CG-CD 4.39Å; L125-K265 HydrophobicContact CG-CG 4.42Å; P263-K265 VanDerWaalsContact C-N 3.26Å; P263-K265 PolarHBondContact O-N 2.85Å; P263-K265 VanDerWaalsContact O-N 3.16Å
266E94.6Very high94.5Very high13 Ų1328.6 Ų28.66%0.06115%0.147CC..Hα-helixtrans-80-36.8175.9-66.5-166.2163.100111.1L125 L176 R178 P263 G268 V269 V270L125-E266 HydrophobicContact CD1-CG 4.48Å; L176-E266 HydrophobicContact CD1-CB 3.75Å; L176-E266 HydrophobicContact CD1-CG 4.14Å; L176-E266 HydrophobicContact CG-CB 4.03Å; L176-E266 HydrophobicContact CG-CG 4.44Å; L176-E266 PolarHBondContact N-OE2 3.09Å; R178-E266 IonicContact CZ-OE1 2.69Å; R178-E266 IonicContact NE-OE1 2.78Å; R178-E266 IonicContact NH2-OE1 2.83Å; R178-E266 PolarHBondContact NH2-OE1 2.86Å; P263-E266 HydrophobicContact CB-CB 4.45Å; P263-E266 HydrophobicContact CB-CG 4.37Å; P263-E266 HydrophobicContact CG-CG 4.48Å; P263-E266 PolarHBondContact O-N 2.83Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 2.76Å; E266-V269 PolarHBondContact O-N 2.94Å; E266-V269 VanDerWaalsContact O-N 3.17Å; E266-V270 WeakPolarHBondContact O-CG2 3.39Å; E266-V270 PolarHBondContact O-N 3.41Å
267A95.2Very high94.9Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-55.5-45.1174.800000111.5Y120 F121 L262 P263 E264 V269 V270 A271Y120-A267 HydrophobicContact CD1-CB 4.15Å; Y120-A267 HydrophobicContact CE1-CB 3.43Å; Y120-A267 VanDerWaalsContact CE1-CB 3.43Å; Y120-A267 HydrophobicContact CE2-CB 4Å; Y120-A267 WeakPolarHBondContact OH-CB 3.46Å; F121-A267 HydrophobicContact CD1-CB 3.52Å; F121-A267 VanDerWaalsContact CD1-O 3.32Å; F121-A267 WeakPolarHBondContact CD1-O 3.23Å; F121-A267 HydrophobicContact CE1-CB 3.65Å; L262-A267 HydrophobicContact CB-CB 4.13Å; P263-A267 PolarHBondContact O-N 2.87Å; E264-A267 WeakPolarHBondContact O-CB 3.21Å; E264-A267 PolarHBondContact O-N 2.9Å; A267-V269 VanDerWaalsContact C-N 3.33Å; A267-V269 PolarHBondContact O-N 3.47Å; A267-V270 CarbonylContact O-C 3.47Å; A267-V270 WeakPolarHBondContact O-CB 3.35Å; A267-V270 PolarHBondContact O-N 2.74Å; A267-V270 VanDerWaalsContact O-N 3.15Å; A267-A271 PolarHBondContact O-N 2.91Å
268G94.9Very high95.4Very high4 Ų421.6 Ų21.64%0.04111%0.108CC..Hα-helixtrans-64.2-35.2178.300000114.1F121 I123 E264 E266 A271 Q272F121-G268 WeakPolarHBondContact O-CA 2.99Å; I123-G268 VanDerWaalsContact O-CA 3.29Å; I123-G268 WeakPolarHBondContact O-CA 3.23Å; E264-G268 PolarHBondContact O-N 3.4Å; E264-G268 VanDerWaalsContact O-N 3.15Å; E266-G268 VanDerWaalsContact C-N 3.32Å; E266-G268 PolarHBondContact O-N 2.76Å; G268-A271 PolarHBondContact O-N 2.86Å; G268-Q272 PolarHBondContact O-N 2.77Å; G268-Q272 VanDerWaalsContact O-N 3.12Å
269V96.8Very high95.6Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-64.5-42.8172.2-179.30000110.6L126 I151 L199 W229 E266 A267 A271 Q272 A273L126-V269 HydrophobicContact CD1-CG1 3.87Å; L126-V269 HydrophobicContact CD1-CG2 3.94Å; L126-V269 HydrophobicContact CG-CG2 3.99Å; I151-V269 HydrophobicContact CD1-CG1 3.52Å; L199-V269 HydrophobicContact CD1-CG1 3.73Å; W229-V269 HydrophobicContact CE3-CG1 4.16Å; W229-V269 HydrophobicContact CZ3-CG1 4.37Å; E266-V269 PolarHBondContact O-N 2.94Å; E266-V269 VanDerWaalsContact O-N 3.17Å; A267-V269 VanDerWaalsContact C-N 3.33Å; A267-V269 PolarHBondContact O-N 3.47Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 3.44Å; V269-Q272 PolarHBondContact O-N 2.74Å; V269-A273 WeakPolarHBondContact O-CB 3.2Å; V269-A273 PolarHBondContact O-N 3.02Å
270V97.9Very high95.8Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-63.5-39.3174.4174.90000111.7F153 P158 L176 L259 L262 E266 A267 Q272 A273 R274F153-V270 HydrophobicContact CE1-CG1 4.4Å; F153-V270 HydrophobicContact CZ-CG1 4.3Å; P158-V270 HydrophobicContact CB-CG1 4.43Å; P158-V270 HydrophobicContact CB-CG2 4.3Å; P158-V270 HydrophobicContact CG-CG1 4.06Å; P158-V270 HydrophobicContact CG-CG2 4.43Å; L176-V270 HydrophobicContact CD1-CG2 4.01Å; L176-V270 HydrophobicContact CD2-CG2 3.62Å; L176-V270 HydrophobicContact CG-CG2 4.25Å; L259-V270 HydrophobicContact CD2-CG1 3.73Å; L262-V270 HydrophobicContact CD1-CB 4.29Å; L262-V270 HydrophobicContact CD1-CG2 3.83Å; E266-V270 WeakPolarHBondContact O-CG2 3.39Å; E266-V270 PolarHBondContact O-N 3.41Å; A267-V270 CarbonylContact O-C 3.47Å; A267-V270 WeakPolarHBondContact O-CB 3.35Å; A267-V270 PolarHBondContact O-N 2.74Å; A267-V270 VanDerWaalsContact O-N 3.15Å; V270-Q272 VanDerWaalsContact C-N 3.32Å; V270-Q272 PolarHBondContact O-N 3.18Å; V270-A273 PolarHBondContact O-N 3.21Å; V270-R274 HydrophobicContact CG1-CB 4.42Å; V270-R274 WeakPolarHBondContact O-CB 3.26Å; V270-R274 PolarHBondContact O-N 3.36Å
271A97.4Very high96Very high3 Ų324.1 Ų24.13%0.02512%0.124CC..Hα-helixtrans-61.4-42.9178.900000111.5F121 A267 G268 V269 S275 P391 P393F121-A271 HydrophobicContact CB-CB 3.83Å; F121-A271 HydrophobicContact CD1-CB 3.9Å; F121-A271 HydrophobicContact CG-CB 4.07Å; A267-A271 PolarHBondContact O-N 2.91Å; G268-A271 PolarHBondContact O-N 2.86Å; V269-A271 VanDerWaalsContact C-N 3.34Å; V269-A271 PolarHBondContact O-N 3.44Å; A271-S275 VanDerWaalsContact O-CB 3.29Å; A271-S275 WeakPolarHBondContact O-CB 3.36Å; A271-S275 PolarHBondContact O-N 3Å; A271-S275 PolarHBondContact O-OG 3.3Å; A271-P391 HydrophobicContact CB-CB 4.41Å; A271-P393 HydrophobicContact CB-CB 4.11Å; A271-P393 HydrophobicContact CB-CG 3.93Å
272Q98.4Very high96.2Very high10 Ų1027.7 Ų27.75%0.04713%0.133CC..Hα-helixtrans-61.8-55.7172.1175.41782.800111.7L199 G268 V269 V270 R274 S275 V276 Y300L199-Q272 HydrophobicContact CD2-CG 4.32Å; L199-Q272 PolarHBondContact O-NE2 3.06Å; G268-Q272 PolarHBondContact O-N 2.77Å; G268-Q272 VanDerWaalsContact O-N 3.12Å; V269-Q272 PolarHBondContact O-N 2.74Å; V270-Q272 VanDerWaalsContact C-N 3.32Å; V270-Q272 PolarHBondContact O-N 3.18Å; Q272-R274 PolarHBondContact O-N 3.17Å; Q272-S275 PolarHBondContact O-N 3.3Å; Q272-V276 WeakPolarHBondContact O-CG2 3.36Å; Q272-V276 PolarHBondContact O-N 3.02Å; Q272-Y300 PolarHBondContact NE2-OH 2.81Å
273A98.4Very high96.4Very high0 Ų031.2 Ų31.20%015%0.147CC..Hα-helixtrans-58.6-52-176.300000111.9F153 L199 A231 V269 V270 S275 V276 L277F153-A273 HydrophobicContact CE2-CB 3.68Å; F153-A273 HydrophobicContact CZ-CB 3.6Å; L199-A273 HydrophobicContact CD1-CB 4.28Å; L199-A273 HydrophobicContact CD2-CB 3.82Å; A231-A273 HydrophobicContact CB-CB 3.64Å; V269-A273 WeakPolarHBondContact O-CB 3.2Å; V269-A273 PolarHBondContact O-N 3.02Å; V270-A273 PolarHBondContact O-N 3.21Å; A273-S275 PolarHBondContact O-N 3.15Å; A273-V276 PolarHBondContact O-N 3.27Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.16Å; A273-L277 PolarHBondContact O-N 3.07Å
274R98.6Very high96.5Very high21 Ų2135.4 Ų35.48%0.07917%0.165CC..Hα-helixtrans-61.7-41.6-177.6-170.7178.9-166.4-80-2.6111.9F153 L156 V270 Q272 A278 P393 M394F153-R274 HydrophobicContact CE1-CB 4.23Å; L156-R274 HydrophobicContact CB-CG 4.21Å; L156-R274 WeakPolarHBondContact O-CD 3.35Å; L156-R274 PolarHBondContact O-NE 3.31Å; V270-R274 HydrophobicContact CG1-CB 4.42Å; V270-R274 WeakPolarHBondContact O-CB 3.26Å; V270-R274 PolarHBondContact O-N 3.36Å; Q272-R274 PolarHBondContact O-N 3.17Å; R274-A278 WeakPolarHBondContact O-CB 3.38Å; R274-A278 PolarHBondContact O-N 3.42Å; R274-P393 HydrophobicContact CB-CB 4.29Å; R274-P393 PolarHBondContact NH1-O 2.98Å; R274-M394 PolarHBondContact NH1-SD 3.12Å
275S98.7Very high96.8Very high27 Ų2736.8 Ų36.819%0.18917%0.169CC..Hα-helixtrans-65.4-43.8-180-560000111.8A271 Q272 A273 A278 W279 P393 P395A271-S275 VanDerWaalsContact O-CB 3.29Å; A271-S275 WeakPolarHBondContact O-CB 3.36Å; A271-S275 PolarHBondContact O-N 3Å; A271-S275 PolarHBondContact O-OG 3.3Å; Q272-S275 PolarHBondContact O-N 3.3Å; A273-S275 PolarHBondContact O-N 3.15Å; S275-A278 PolarHBondContact O-N 2.82Å; S275-W279 PolarHBondContact O-N 3.41Å; S275-P393 WeakPolarHBondContact OG-CB 3.43Å; S275-P395 WeakPolarHBondContact CA-O 3.49Å; S275-P395 PolarHBondContact OG-O 3.41Å
276V98.7Very high97.2Very high9 Ų931.6 Ų31.66%0.05515%0.147CC..Hα-helixtrans-69.2-42.5178.6-179.10000110.8I197 Q272 A273 A278 W279 H280 G299 Y300 P321I197-V276 HydrophobicContact CD1-CG1 3.78Å; I197-V276 HydrophobicContact CG1-CG1 4.08Å; I197-V276 HydrophobicContact CG2-CB 4.27Å; I197-V276 HydrophobicContact CG2-CG1 3.82Å; Q272-V276 WeakPolarHBondContact O-CG2 3.36Å; Q272-V276 PolarHBondContact O-N 3.02Å; A273-V276 PolarHBondContact O-N 3.27Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 3.22Å; V276-W279 HydrophobicContact CG1-CE3 4.41Å; V276-W279 WeakPolarHBondContact O-CB 3.37Å; V276-W279 PolarHBondContact O-N 3.14Å; V276-H280 PolarHBondContact O-CD2 2.94Å; V276-H280 PolarHBondContact O-N 2.85Å; V276-G299 WeakPolarHBondContact CG1-O 3.25Å; V276-Y300 HydrophobicContact CG2-CD1 4.36Å; V276-Y300 HydrophobicContact CG2-CE1 3.75Å; V276-P321 HydrophobicContact CG1-CG 4.49Å
277L98.4Very high97.4Very high5 Ų534.9 Ų34.93%0.02617%0.17CC..Hα-helixtrans-62.8-39174.1-70.4176.2000112.2F153 L156 T195 I197 A231 A273 W279 H280 S281F153-L277 HydrophobicContact CB-CD1 3.72Å; F153-L277 HydrophobicContact CD1-CD1 3.93Å; F153-L277 HydrophobicContact CD2-CD1 3.69Å; F153-L277 HydrophobicContact CE1-CD1 4.47Å; F153-L277 HydrophobicContact CE2-CD1 4.26Å; F153-L277 HydrophobicContact CG-CD1 3.5Å; L156-L277 HydrophobicContact CD2-CB 3.68Å; T195-L277 HydrophobicContact CG2-CD2 3.6Å; I197-L277 HydrophobicContact CD1-CD2 4.35Å; I197-L277 HydrophobicContact CG1-CD2 3.66Å; I197-L277 HydrophobicContact CG1-CG 4.22Å; A231-L277 HydrophobicContact CB-CD1 4.25Å; A273-L277 WeakPolarHBondContact O-CB 3.47Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.16Å; A273-L277 PolarHBondContact O-N 3.07Å; L277-W279 VanDerWaalsContact C-N 3.32Å; L277-W279 PolarHBondContact O-N 3.11Å; L277-H280 WeakPolarHBondContact O-CB 3.26Å; L277-H280 PolarHBondContact O-N 2.91Å; L277-S281 PolarHBondContact O-N 3.32Å
278A98.3Very high97.6Very high3 Ų338 Ų383%0.02519%0.189CC..Hα-helixtrans-62.9-41.3175.400000111.2L156 R274 S275 V276 S281 R282 P395L156-A278 HydrophobicContact CD1-CB 3.76Å; L156-A278 HydrophobicContact CD2-CB 4.14Å; R274-A278 WeakPolarHBondContact O-CB 3.38Å; R274-A278 PolarHBondContact O-N 3.42Å; S275-A278 PolarHBondContact O-N 2.82Å; V276-A278 VanDerWaalsContact C-N 3.33Å; V276-A278 PolarHBondContact O-N 3.22Å; A278-S281 PolarHBondContact O-N 2.84Å; A278-S281 PolarHBondContact O-OG 2.77Å; A278-R282 PolarHBondContact O-N 2.9Å; A278-P395 HydrophobicContact CB-CB 3.71Å
279W98.5Very high97.7Very high11 Ų1140.2 Ų40.24%0.04220%0.203CC..Hα-helixtrans-58.9-46.7171.3172.371.6000111.5S275 V276 L277 S281 R282 Y283 K302 Y320 P321S275-W279 PolarHBondContact O-N 3.41Å; V276-W279 HydrophobicContact CG1-CE3 4.41Å; V276-W279 WeakPolarHBondContact O-CB 3.37Å; V276-W279 PolarHBondContact O-N 3.14Å; L277-W279 VanDerWaalsContact C-N 3.32Å; L277-W279 PolarHBondContact O-N 3.11Å; W279-S281 VanDerWaalsContact C-N 3.29Å; W279-S281 PolarHBondContact O-N 2.92Å; W279-R282 PolarHBondContact O-N 3.49Å; W279-Y283 AromaticContact CD1-CD2 3.32Å; W279-Y283 AromaticContact CD1-CE2 3.89Å; W279-Y283 AromaticContact CD1-CG 3.52Å; W279-Y283 HydrophobicContact CG-CD2 4.17Å; W279-Y283 AromaticContact NE1-CD2 3.96Å; W279-Y283 AromaticContact NE1-CG 3.64Å; W279-Y283 WeakPolarHBondContact O-CB 3.38Å; W279-Y283 WeakPolarHBondContact O-CD2 3.38Å; W279-Y283 PolarHBondContact O-N 2.84Å; W279-K302 HydrophobicContact CH2-CB 3.82Å; W279-K302 HydrophobicContact CH2-CD 3.98Å; W279-K302 HydrophobicContact CH2-CG 3.59Å; W279-K302 HydrophobicContact CZ2-CB 3.97Å; W279-K302 HydrophobicContact CZ2-CD 4.04Å; W279-K302 HydrophobicContact CZ2-CG 4.01Å; W279-K302 HydrophobicContact CZ3-CD 4.37Å; W279-K302 HydrophobicContact CZ3-CG 4.15Å; W279-Y320 VanDerWaalsContact CZ2-C 3.45Å; W279-Y320 PolarHBondContact NE1-O 3.08Å; W279-P321 HydrophobicContact CD2-CB 4.2Å; W279-P321 HydrophobicContact CD2-CG 4.2Å; W279-P321 HydrophobicContact CE3-CB 4.27Å; W279-P321 HydrophobicContact CE3-CG 3.83Å; W279-P321 HydrophobicContact CG-CB 4.39Å; W279-P321 HydrophobicContact CH2-CG 4.3Å; W279-P321 HydrophobicContact CZ3-CG 3.88Å
280H97.4Very high97.8Very high7 Ų742.5 Ų42.53%0.03223%0.227CC..Hα-helixtrans-57.7-40.4176.1-83.2-77.3000113.5T195 I197 V276 L277 R282 Q284 T295 G299 K302T195-H280 HydrophobicContact CG2-CB 4Å; I197-H280 WeakPolarHBondContact CD1-NE2 3.49Å; V276-H280 PolarHBondContact O-CD2 2.94Å; V276-H280 PolarHBondContact O-N 2.85Å; L277-H280 WeakPolarHBondContact O-CB 3.26Å; L277-H280 PolarHBondContact O-N 2.91Å; H280-R282 VanDerWaalsContact C-N 3.32Å; H280-R282 PolarHBondContact O-N 2.89Å; H280-Q284 WeakPolarHBondContact O-CG 3.24Å; H280-T295 PolarHBondContact CE1-OG1 2.9Å; H280-G299 PolarHBondContact NE2-O 2.81Å; H280-K302 PolarHBondContact O-NZ 2.83Å
281S95.4Very high97.8Very high60 Ų6044.3 Ų44.342%0.4224%0.24SC..Hα-helixtrans-67-28.9-179.573.80000114L277 A278 W279L277-S281 PolarHBondContact O-N 3.32Å; A278-S281 PolarHBondContact O-N 2.84Å; A278-S281 PolarHBondContact O-OG 2.77Å; W279-S281 VanDerWaalsContact C-N 3.29Å; W279-S281 PolarHBondContact O-N 2.92Å
282R96.9Very high97.8Very high175 Ų17546.4 Ų46.466%0.6626%0.257SS*.Hα-helixtrans-106.5-20.2-174.1-63.7-175.5-179.3-161.9-1.7114.4A278 W279 H280A278-R282 PolarHBondContact O-N 2.9Å; W279-R282 PolarHBondContact O-N 3.49Å; H280-R282 VanDerWaalsContact C-N 3.32Å; H280-R282 PolarHBondContact O-N 2.89Å
283Y96.9Very high97.7Very high73 Ų7347.2 Ų47.229%0.28626%0.263SS..  trans-11553.9-175.4-67.4-101.6000110.6W279 K302 R322W279-Y283 AromaticContact CD1-CD2 3.32Å; W279-Y283 AromaticContact CD1-CE2 3.89Å; W279-Y283 AromaticContact CD1-CG 3.52Å; W279-Y283 HydrophobicContact CG-CD2 4.17Å; W279-Y283 AromaticContact NE1-CD2 3.96Å; W279-Y283 AromaticContact NE1-CG 3.64Å; W279-Y283 WeakPolarHBondContact O-CB 3.38Å; W279-Y283 WeakPolarHBondContact O-CD2 3.38Å; W279-Y283 PolarHBondContact O-N 2.84Å; Y283-K302 WeakPolarHBondContact O-CD 3.25Å; Y283-K302 VanDerWaalsContact O-CE 3.3Å; Y283-K302 WeakPolarHBondContact O-CE 3Å; Y283-K302 PolarHBondContact O-NZ 2.91Å; Y283-R322 WeakPolarHBondContact OH-CD 3.31Å; Y283-R322 PolarHBondContact OH-NH1 3.31Å; Y283-R322 VanDerWaalsContact OH-NH1 3.16Å
284Q94.7Very high97.6Very high114 Ų11453 Ų5353%0.53329%0.288SS..  trans-74.4-26.7-179.8-66.9-176.1-16.900113.2H280 T293H280-Q284 WeakPolarHBondContact O-CG 3.24Å; Q284-T293 PolarHBondContact O-N 3.39Å; Q284-T293 PolarHBondContact O-OG1 3.33Å
285F97.9Very high97.4Very high123 Ų12355.5 Ų55.554%0.53931%0.306SS..BIsolated β-bridgetrans-111.8155.3-177.5-60.3-86.4000111.4P287 G290 S291F285-P287 WeakPolarHBondContact O-CD 2.82Å; F285-G290 WeakPolarHBondContact CD1-O 3.29Å; F285-S291 CarbonylContact C-O 3.46Å; F285-S291 WeakPolarHBondContact CA-O 3.14Å
286C98.3Very high97.2Very high5 Ų555.5 Ų55.53%0.03431%0.31CS..  trans-69.1121.1179.31780000110T288 C289 G290 S291 T293 C304C286-T288 PolarHBondContact O-N 3.5Å; C286-T288 VanDerWaalsContact O-N 3.17Å; C286-T288 PolarHBondContact SG-N 3.43Å; C286-C289 PolarHBondContact O-N 3.02Å; C286-G290 WeakPolarHBondContact O-CA 3.01Å; C286-G290 PolarHBondContact O-N 3.39Å; C286-S291 WeakPolarHBondContact CB-O 3.42Å; C286-S291 PolarHBondContact N-O 2.92Å; C286-T293 HydrophobicContact CB-CG2 3.98Å; C286-C304 HydrophobicContact CB-CB 4.1Å
287P98.3Very high97.1Very high82 Ų8257.9 Ų57.953%0.53232%0.32SS..THydrogen-bonded Turntrans-61.7-24.7178.2-24.334.9000113.9F285 T318F285-P287 WeakPolarHBondContact O-CD 2.82Å; P287-T318 HydrophobicContact CB-CG2 4.06Å; P287-T318 HydrophobicContact CG-CG2 4.15Å
288T98.2Very high97Very high66 Ų6658.4 Ų58.441%0.40533%0.327SS..THydrogen-bonded Turntrans-78.5-32.6-177.2-500000113.2C286 P310C286-T288 PolarHBondContact O-N 3.5Å; C286-T288 VanDerWaalsContact O-N 3.17Å; C286-T288 PolarHBondContact SG-N 3.43Å; T288-P310 HydrophobicContact CG2-CB 4.05Å; T288-P310 HydrophobicContact CG2-CG 4.12Å
289C97.8Very high97Very high50 Ų5058.3 Ų58.334%0.33833%0.327SS..THydrogen-bonded Turntrans-141.9-4.7-171.168.80000115.8C286 S291C286-C289 PolarHBondContact O-N 3.02Å; C289-S291 VanDerWaalsContact C-N 3.26Å; C289-S291 PolarHBondContact O-N 3.24Å
290G97.9Very high97Very high49 Ų4958.6 Ų58.651%0.50533%0.328SS..  trans79.8-8-179.600000115.7F285 C286F285-G290 WeakPolarHBondContact CD1-O 3.29Å; C286-G290 WeakPolarHBondContact O-CA 3.01Å; C286-G290 PolarHBondContact O-N 3.39Å
291S98.2Very high97.1Very high38 Ų3860.6 Ų60.627%0.26634%0.336SS..  trans-65.5156.8177.3-62.50000112.9F285 C286 C289F285-S291 CarbonylContact C-O 3.46Å; F285-S291 WeakPolarHBondContact CA-O 3.14Å; C286-S291 WeakPolarHBondContact CB-O 3.42Å; C286-S291 PolarHBondContact N-O 2.92Å; C289-S291 VanDerWaalsContact C-N 3.26Å; C289-S291 PolarHBondContact O-N 3.24Å
292A97.3Very high97.2Very high47 Ų4758.5 Ų58.539%0.38832%0.32SS..BIsolated β-bridgetrans-59.7154.8173.300000112.3L305A292-L305 HydrophobicContact CB-CD1 4.04Å; A292-L305 WeakPolarHBondContact O-CB 3.3Å; A292-L305 WeakPolarHBondContact O-CG 3.49Å; A292-L305 PolarHBondContact O-N 3.08Å
293T97.3Very high97.2Very high26 Ų2651.9 Ų51.916%0.1630%0.299CS..EExtended strand (participates in β ladder)trans-121.3150.5179.563.10000111.2Q284 C286 K302 T303Q284-T293 PolarHBondContact O-N 3.39Å; Q284-T293 PolarHBondContact O-OG1 3.33Å; C286-T293 HydrophobicContact CB-CG2 3.98Å; T293-K302 WeakPolarHBondContact OG1-CE 3.14Å; T293-T303 CarbonylContact C-O 3.52Å; T293-T303 VanDerWaalsContact CA-O 3.28Å; T293-T303 WeakPolarHBondContact CA-O 3.13Å
294K95.4Very high97.3Very high122 Ų12248.7 Ų48.753%0.5329%0.287SS..EExtended strand (participates in β ladder)trans-104.9143.1168.362.7179.4178.1-173.30111.1K302 T303 L305K294-K302 WeakPolarHBondContact O-CA 3.44Å; K294-T303 PolarHBondContact N-O 2.92Å; K294-T303 PolarHBondContact O-N 2.88Å; K294-L305 HydrophobicContact CB-CD2 3.95Å; K294-L305 HydrophobicContact CD-CD2 3.8Å; K294-L305 HydrophobicContact CG-CD2 3.83Å
295T95.1Very high97.4Very high74 Ų7448 Ų4845%0.45429%0.287SS..EExtended strand (participates in β ladder)trans-74.6145.3173.6-57.90000110.7H280 K301H280-T295 PolarHBondContact CE1-OG1 2.9Å; T295-K301 CarbonylContact C-O 3.54Å; T295-K301 WeakPolarHBondContact CA-O 3.46Å
296G94.4Very high97.4Very high27 Ų2746.1 Ų46.128%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-151-176.1174.600000111.9G298 G299 Y300 K301G296-G298 PolarHBondContact O-N 2.75Å; G296-G299 PolarHBondContact O-N 2.82Å; G296-Y300 PolarHBondContact O-N 3.36Å; G296-K301 PolarHBondContact N-O 3.23Å; G296-K301 PolarHBondContact O-N 2.9Å
297E97.1Very high97.3Very high58 Ų5854.3 Ų54.327%0.27132%0.316SS..G310 helixtrans48.851.5176.5-58.9-173.9-166.200113.5R133 T134 G299 Y300 K301R133-E297 HydrophobicContact CB-CB 4.25Å; R133-E297 WeakPolarHBondContact CB-O 3.37Å; R133-E297 CarbonylContact O-C 3.57Å; R133-E297 WeakPolarHBondContact O-CA 3.16Å; T134-E297 HydrophobicContact CG2-CG 4.01Å; E297-G299 PolarHBondContact O-N 2.81Å; E297-G299 VanDerWaalsContact O-N 3.13Å; E297-Y300 PolarHBondContact O-N 2.66Å; E297-K301 HydrophobicContact CB-CB 3.89Å; E297-K301 HydrophobicContact CG-CB 3.94Å; E297-K301 HydrophobicContact CG-CD 3.89Å; E297-K301 WeakPolarHBondContact OE1-CD 3.48Å; E297-K301 IonicContact OE1-NZ 3.52Å; E297-K301 PolarHBondContact OE1-NZ 3.37Å
298G96.9Very high97.2Very high16 Ų1655.3 Ų55.317%0.16532%0.317CS..G310 helixtrans59.724.1-179.700000114.6R133 F198 G296R133-G298 PolarHBondContact O-N 3.01Å; R133-G298 VanDerWaalsContact O-N 3.15Å; F198-G298 PolarHBondContact N-O 3.25Å; G296-G298 PolarHBondContact O-N 2.75Å
299G97.4Very high97.2Very high2 Ų252.2 Ų52.22%0.02130%0.298CS..G310 helixtrans972.7-177.100000115V276 H280 G296 E297V276-G299 WeakPolarHBondContact CG1-O 3.25Å; H280-G299 PolarHBondContact NE2-O 2.81Å; G296-G299 PolarHBondContact O-N 2.82Å; E297-G299 PolarHBondContact O-N 2.81Å; E297-G299 VanDerWaalsContact O-N 3.13Å
300Y98.6Very high97.2Very high17 Ų1753.6 Ų53.67%0.06731%0.306CS..THydrogen-bonded Turntrans-101.69.7-178.4-67.6-97.9000113.3R133 I197 F198 Q272 V276 G296 E297 P321R133-Y300 HydrophobicContact CG-CD2 4.28Å; I197-Y300 HydrophobicContact CG2-CE2 3.68Å; F198-Y300 WeakPolarHBondContact O-CE2 3.34Å; F198-Y300 PolarHBondContact O-OH 2.86Å; Q272-Y300 PolarHBondContact NE2-OH 2.81Å; V276-Y300 HydrophobicContact CG2-CD1 4.36Å; V276-Y300 HydrophobicContact CG2-CE1 3.75Å; G296-Y300 PolarHBondContact O-N 3.36Å; E297-Y300 PolarHBondContact O-N 2.66Å; Y300-P321 HydrophobicContact CD1-CG 4.19Å; Y300-P321 WeakPolarHBondContact O-CD 3.42Å
301K98.2Very high97.2Very high48 Ų4851.6 Ų51.621%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-142143.8176.9-166.3167.9-176.1179.20112.4T295 G296 E297 S319 Y320T295-K301 CarbonylContact C-O 3.54Å; T295-K301 WeakPolarHBondContact CA-O 3.46Å; G296-K301 PolarHBondContact N-O 3.23Å; G296-K301 PolarHBondContact O-N 2.9Å; E297-K301 HydrophobicContact CB-CB 3.89Å; E297-K301 HydrophobicContact CG-CB 3.94Å; E297-K301 HydrophobicContact CG-CD 3.89Å; E297-K301 WeakPolarHBondContact OE1-CD 3.48Å; E297-K301 IonicContact OE1-NZ 3.52Å; E297-K301 PolarHBondContact OE1-NZ 3.37Å; K301-S319 CarbonylContact C-O 3.57Å; K301-S319 VanDerWaalsContact CA-O 3.23Å; K301-S319 WeakPolarHBondContact CA-O 3.49Å; K301-Y320 HydrophobicContact CD-CE1 4.27Å; K301-Y320 HydrophobicContact CG-CE1 4.42Å
302K97.8Very high97.1Very high16 Ų1652.6 Ų52.67%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-120.7128.2166.2-83.5-175.9140.6160.90109.3W279 H280 Y283 T293 K294 S319W279-K302 HydrophobicContact CH2-CB 3.82Å; W279-K302 HydrophobicContact CH2-CD 3.98Å; W279-K302 HydrophobicContact CH2-CG 3.59Å; W279-K302 HydrophobicContact CZ2-CB 3.97Å; W279-K302 HydrophobicContact CZ2-CD 4.04Å; W279-K302 HydrophobicContact CZ2-CG 4.01Å; W279-K302 HydrophobicContact CZ3-CD 4.37Å; W279-K302 HydrophobicContact CZ3-CG 4.15Å; H280-K302 PolarHBondContact O-NZ 2.83Å; Y283-K302 WeakPolarHBondContact O-CD 3.25Å; Y283-K302 VanDerWaalsContact O-CE 3.3Å; Y283-K302 WeakPolarHBondContact O-CE 3Å; Y283-K302 PolarHBondContact O-NZ 2.91Å; T293-K302 WeakPolarHBondContact OG1-CE 3.14Å; K294-K302 WeakPolarHBondContact O-CA 3.44Å; K302-S319 PolarHBondContact N-O 2.97Å; K302-S319 WeakPolarHBondContact O-CA 3.1Å; K302-S319 WeakPolarHBondContact O-CB 3.47Å
303T97.7Very high97.1Very high36 Ų3656.5 Ų56.522%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-115.4127.9-178.6-56.40000108.6T293 K294 L312T293-T303 CarbonylContact C-O 3.52Å; T293-T303 VanDerWaalsContact CA-O 3.28Å; T293-T303 WeakPolarHBondContact CA-O 3.13Å; K294-T303 PolarHBondContact N-O 2.92Å; K294-T303 PolarHBondContact O-N 2.88Å; T303-L312 HydrophobicContact CG2-CD2 3.54Å
304C98.3Very high97Very high7 Ų758.3 Ų58.35%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-58.6140.6175-169.30000110.8C286 K306 C309 L312C286-C304 HydrophobicContact CB-CB 4.1Å; C304-K306 PolarHBondContact SG-N 3.32Å; C304-K306 VanDerWaalsContact SG-N 3.42Å; C304-C309 HydrophobicContact CB-CB 4.19Å; C304-L312 HydrophobicContact CB-CD2 4.12Å; C304-L312 HydrophobicContact CB-CG 4.39Å
305L97.6Very high97.1Very high99 Ų9958.3 Ų58.352%0.51833%0.33SS..SBendtrans-83.7-12.3175.1-66.1179.7000113.4A292 K294A292-L305 HydrophobicContact CB-CD1 4.04Å; A292-L305 WeakPolarHBondContact O-CB 3.3Å; A292-L305 WeakPolarHBondContact O-CG 3.49Å; A292-L305 PolarHBondContact O-N 3.08Å; K294-L305 HydrophobicContact CB-CD2 3.95Å; K294-L305 HydrophobicContact CD-CD2 3.8Å; K294-L305 HydrophobicContact CG-CD2 3.83Å
306K97.8Very high97.2Very high84 Ų8458.2 Ų58.237%0.36532%0.324SS..  trans-83.9112.8176.7178.1172.7178-1790109.9C304 D308 C309 L312C304-K306 PolarHBondContact SG-N 3.32Å; C304-K306 VanDerWaalsContact SG-N 3.42Å; K306-D308 VanDerWaalsContact C-N 3.35Å; K306-D308 WeakPolarHBondContact CE-OD1 3.41Å; K306-D308 WeakPolarHBondContact CE-OD2 3.28Å; K306-D308 WeakPolarHBondContact CG-OD1 3.41Å; K306-D308 IonicContact NZ-OD2 2.79Å; K306-D308 PolarHBondContact O-N 3.25Å; K306-C309 HydrophobicContact CB-CB 4.27Å; K306-C309 HydrophobicContact CG-CB 4.4Å; K306-C309 WeakPolarHBondContact O-CB 3.31Å; K306-C309 PolarHBondContact O-N 2.88Å; K306-C309 VanDerWaalsContact O-N 3.14Å; K306-L312 WeakPolarHBondContact O-CD1 3.4Å
307E95.6Very high97.3Very high176 Ų17663.4 Ų63.482%0.82235%0.346SS*.THydrogen-bonded Turntrans-62.3-33.6-169.6-64-175.2168.300114.6C309E307-C309 VanDerWaalsContact C-N 3.31Å
308D96.6Very high97.3Very high103 Ų10362.3 Ų62.355%0.55134%0.343SS*.THydrogen-bonded Turntrans-89.69.8179.363.4-45.9000113.2K306K306-D308 VanDerWaalsContact C-N 3.35Å; K306-D308 WeakPolarHBondContact CE-OD1 3.41Å; K306-D308 WeakPolarHBondContact CE-OD2 3.28Å; K306-D308 WeakPolarHBondContact CG-OD1 3.41Å; K306-D308 IonicContact NZ-OD2 2.79Å; K306-D308 PolarHBondContact O-N 3.25Å
309C98Very high97.4Very high1 Ų162 Ų621%0.00734%0.338CS..  trans-70.4131.3-177.6-176.30000111.7C304 K306 E307 S311 L312C304-C309 HydrophobicContact CB-CB 4.19Å; K306-C309 HydrophobicContact CB-CB 4.27Å; K306-C309 HydrophobicContact CG-CB 4.4Å; K306-C309 WeakPolarHBondContact O-CB 3.31Å; K306-C309 PolarHBondContact O-N 2.88Å; K306-C309 VanDerWaalsContact O-N 3.14Å; E307-C309 VanDerWaalsContact C-N 3.31Å; C309-S311 PolarHBondContact O-N 3.48Å; C309-S311 PolarHBondContact SG-OG 3.03Å; C309-L312 HydrophobicContact CB-CD1 4.45Å; C309-L312 HydrophobicContact CB-CG 4.29Å; C309-L312 WeakPolarHBondContact O-CB 3.39Å; C309-L312 PolarHBondContact O-N 2.81Å
310P98.2Very high97.4Very high80 Ų8065.7 Ų65.752%0.51935%0.352SS..G310 helixtrans-54.1-28.6176.6-27.134.2000114.5T288 L312 H313 H316T288-P310 HydrophobicContact CG2-CB 4.05Å; T288-P310 HydrophobicContact CG2-CG 4.12Å; P310-L312 PolarHBondContact O-N 2.85Å; P310-L312 VanDerWaalsContact O-N 3.11Å; P310-H313 PolarHBondContact O-N 3.09Å; P310-H313 VanDerWaalsContact O-N 3.07Å; P310-H316 PolarHBondContact O-NE2 3.07Å
311S97.4Very high97.4Very high6 Ų666.8 Ų66.84%0.04236%0.361CS..G310 helixtrans-62.4-16.5176.875.90000113.8C309C309-S311 PolarHBondContact O-N 3.48Å; C309-S311 PolarHBondContact SG-OG 3.03Å
312L97.5Very high97.4Very high60 Ų6070.9 Ų70.931%0.31438%0.375SS..G310 helixtrans-90.7-10.7178.6-58-177.3000112.9T303 C304 K306 C309 P310T303-L312 HydrophobicContact CG2-CD2 3.54Å; C304-L312 HydrophobicContact CB-CD2 4.12Å; C304-L312 HydrophobicContact CB-CG 4.39Å; K306-L312 WeakPolarHBondContact O-CD1 3.4Å; C309-L312 HydrophobicContact CB-CD1 4.45Å; C309-L312 HydrophobicContact CB-CG 4.29Å; C309-L312 WeakPolarHBondContact O-CB 3.39Å; C309-L312 PolarHBondContact O-N 2.81Å; P310-L312 PolarHBondContact O-N 2.85Å; P310-L312 VanDerWaalsContact O-N 3.11Å
313H96.4Very high97.5Very high129 Ų12974.7 Ų74.760%0.59740%0.4SS*.SBendtrans-102.693.3-178.1-57.8-55.6000110.2P310 H316P310-H313 PolarHBondContact O-N 3.09Å; P310-H313 VanDerWaalsContact O-N 3.07Å; H313-H316 PolarHBondContact O-NE2 3.06Å
314G95.3Very high97.5Very high63 Ų6374.1 Ų74.165%0.64940%0.395SS*.SBendtrans98.3-162.8-176.100000113.2
315V96.8Very high97.5Very high122 Ų12276.4 Ų76.474%0.73941%0.41SS*.  trans-108.6114.6-178.6-177.60000109.2Y320V315-Y320 HydrophobicContact CG1-CE2 3.84Å
316H97.7Very high97.6Very high73 Ų7372.1 Ų72.134%0.33839%0.388SS..  trans-122.8142.2-178.3-61-76.7000111P310 H313 T318 S319 Y320P310-H316 PolarHBondContact O-NE2 3.07Å; H313-H316 PolarHBondContact O-NE2 3.06Å; H316-T318 WeakPolarHBondContact CB-OG1 3.25Å; H316-T318 PolarHBondContact O-N 2.87Å; H316-S319 PolarHBondContact O-N 2.99Å; H316-Y320 VanDerWaalsContact O-CD2 3.31Å; H316-Y320 WeakPolarHBondContact O-CD2 3.41Å; H316-Y320 WeakPolarHBondContact O-CE2 3.34Å
317N97.1Very high97.6Very high136 Ų13668.1 Ų68.173%0.72737%0.371SS*.G310 helixtrans-62-22.6178.365.61.4000113.3S319 Y320N317-S319 PolarHBondContact O-N 3.35Å; N317-Y320 PolarHBondContact O-N 3.37Å
318T97.3Very high97.8Very high35 Ų3560.1 Ų60.122%0.21533%0.333CS..G310 helixtrans-55.2-22.6175.7540000113.2P287 H316P287-T318 HydrophobicContact CB-CG2 4.06Å; P287-T318 HydrophobicContact CG-CG2 4.15Å; H316-T318 WeakPolarHBondContact CB-OG1 3.25Å; H316-T318 PolarHBondContact O-N 2.87Å
319S97.6Very high97.8Very high9 Ų955.2 Ų55.26%0.06331%0.307CS..G310 helixtrans-86.7-12.8-178.9-55.90000113.6K301 K302 H316 N317K301-S319 CarbonylContact C-O 3.57Å; K301-S319 VanDerWaalsContact CA-O 3.23Å; K301-S319 WeakPolarHBondContact CA-O 3.49Å; K302-S319 PolarHBondContact N-O 2.97Å; K302-S319 WeakPolarHBondContact O-CA 3.1Å; K302-S319 WeakPolarHBondContact O-CB 3.47Å; H316-S319 PolarHBondContact O-N 2.99Å; N317-S319 PolarHBondContact O-N 3.35Å
320Y98.6Very high97.9Very high80 Ų8055.2 Ų55.231%0.31431%0.307SS..SBendtrans-120.8156.8-165.7-59.3-72.1000113.1W279 K301 V315 H316 N317W279-Y320 VanDerWaalsContact CZ2-C 3.45Å; W279-Y320 PolarHBondContact NE1-O 3.08Å; K301-Y320 HydrophobicContact CD-CE1 4.27Å; K301-Y320 HydrophobicContact CG-CE1 4.42Å; V315-Y320 HydrophobicContact CG1-CE2 3.84Å; H316-Y320 VanDerWaalsContact O-CD2 3.31Å; H316-Y320 WeakPolarHBondContact O-CD2 3.41Å; H316-Y320 WeakPolarHBondContact O-CE2 3.34Å; N317-Y320 PolarHBondContact O-N 3.37Å
321P98.4Very high97.8Very high39 Ų3951.4 Ų51.425%0.25328%0.282SS..  trans-56.2140.1173.7-2633.3000112.7V276 W279 Y300V276-P321 HydrophobicContact CG1-CG 4.49Å; W279-P321 HydrophobicContact CD2-CB 4.2Å; W279-P321 HydrophobicContact CD2-CG 4.2Å; W279-P321 HydrophobicContact CE3-CB 4.27Å; W279-P321 HydrophobicContact CE3-CG 3.83Å; W279-P321 HydrophobicContact CG-CB 4.39Å; W279-P321 HydrophobicContact CH2-CG 4.3Å; W279-P321 HydrophobicContact CZ3-CG 3.88Å; Y300-P321 HydrophobicContact CD1-CG 4.19Å; Y300-P321 WeakPolarHBondContact O-CD 3.42Å
322R98.3Very high97.7Very high135 Ų13551.1 Ų51.151%0.50928%0.28SS..  trans-83.5142.8179.1-171170.3172162.4-0.3111Y283 D324 S396Y283-R322 WeakPolarHBondContact OH-CD 3.31Å; Y283-R322 PolarHBondContact OH-NH1 3.31Å; Y283-R322 VanDerWaalsContact OH-NH1 3.16Å; R322-D324 IonicContact CZ-OD1 3.49Å; R322-D324 IonicContact NE-OD1 3.72Å; R322-D324 PolarHBondContact NE-OD1 2.96Å; R322-D324 IonicContact NE-OD2 2.84Å; R322-D324 IonicContact NH2-OD1 2.77Å; R322-D324 PolarHBondContact NH2-OD1 3.49Å; R322-D324 VanDerWaalsContact NH2-OD1 3.13Å; R322-S396 WeakPolarHBondContact O-CB 3.2Å
323V98.5Very high97.5Very high96 Ų9649.8 Ų49.858%0.58227%0.272SS*.  trans-130.5124.2167.4178.90000107.1P325 S396 L398V323-P325 WeakPolarHBondContact O-CD 3.48Å; V323-S396 CarbonylContact C-O 3.48Å; V323-S396 WeakPolarHBondContact CA-O 3.49Å; V323-L398 HydrophobicContact CG1-CB 3.78Å
324D98.4Very high96.7Very high23 Ų2346.9 Ų46.912%0.12327%0.265CS..EExtended strand (participates in β ladder)trans-100.5106.9-177.1-59.1-62000109.5R322 V326 F358 S396 S397 L398R322-D324 IonicContact CZ-OD1 3.49Å; R322-D324 IonicContact NE-OD1 3.72Å; R322-D324 PolarHBondContact NE-OD1 2.96Å; R322-D324 IonicContact NE-OD2 2.84Å; R322-D324 IonicContact NH2-OD1 2.77Å; R322-D324 PolarHBondContact NH2-OD1 3.49Å; R322-D324 VanDerWaalsContact NH2-OD1 3.13Å; D324-V326 PolarHBondContact O-N 2.69Å; D324-F358 HydrophobicContact CB-CD1 4.14Å; D324-F358 HydrophobicContact CB-CE1 3.8Å; D324-S396 PolarHBondContact N-O 3.03Å; D324-S396 PolarHBondContact OD2-OG 3.08Å; D324-S397 CarbonylContact O-C 3.51Å; D324-S397 VanDerWaalsContact O-CA 3.25Å; D324-S397 WeakPolarHBondContact O-CA 3.43Å; D324-L398 PolarHBondContact O-N 3.39Å
325P98.6Very high95.9Very high55 Ų5546.9 Ų46.936%0.35725%0.25SS..EExtended strand (participates in β ladder)trans-67.5128.4176.827.8-34000110.7V323 V359 I400V323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-V359 HydrophobicContact CB-CB 4.19Å; P325-V359 HydrophobicContact CB-CG2 3.99Å; P325-V359 HydrophobicContact CG-CB 3.98Å; P325-V359 HydrophobicContact CG-CG2 4.36Å; P325-V359 PolarHBondContact O-N 3.27Å; P325-I400 HydrophobicContact CB-CD1 4.02Å
326V98.8Very high94.9Very high10 Ų1041.3 Ų41.36%0.06122%0.218CC..EExtended strand (participates in β ladder)trans-129.2120.6-179.6176.60000108D324 A356 G357 F358 L398 M399 I400D324-V326 PolarHBondContact O-N 2.69Å; V326-A356 HydrophobicContact CG1-CB 4.39Å; V326-G357 CarbonylContact C-O 3.15Å; V326-G357 VanDerWaalsContact CA-O 3.28Å; V326-G357 WeakPolarHBondContact CA-O 3.47Å; V326-G357 WeakPolarHBondContact CG1-O 3.49Å; V326-F358 HydrophobicContact CG2-CD1 3.5Å; V326-F358 VanDerWaalsContact CG2-CD1 3.5Å; V326-F358 HydrophobicContact CG2-CE1 3.51Å; V326-F358 HydrophobicContact CG2-CG 4.25Å; V326-F358 HydrophobicContact CG2-CZ 4.28Å; V326-L398 PolarHBondContact N-O 3.01Å; V326-M399 HydrophobicContact CB-CE 4.22Å; V326-M399 HydrophobicContact CB-SD 3.88Å; V326-M399 HydrophobicContact CG1-CE 3.55Å; V326-M399 HydrophobicContact CG1-SD 3.82Å; V326-M399 HydrophobicContact CG2-SD 4.46Å; V326-M399 CarbonylContact O-C 3.55Å; V326-M399 WeakPolarHBondContact O-CA 3.29Å; V326-I400 PolarHBondContact O-N 3.32Å
327V98.8Very high94.3Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-79.2141.8171.4-67.80000109.8M329 A356 G357 V359 I365 A368 V369 E372 I400V327-M329 HydrophobicContact CB-SD 4.42Å; V327-M329 HydrophobicContact CG2-SD 4.11Å; V327-A356 CarbonylContact O-C 3.08Å; V327-A356 WeakPolarHBondContact O-CA 3.49Å; V327-A356 VanDerWaalsContact O-CB 3.27Å; V327-A356 WeakPolarHBondContact O-CB 3.35Å; V327-G357 WeakPolarHBondContact CG2-O 3.39Å; V327-G357 PolarHBondContact N-O 3.32Å; V327-G357 PolarHBondContact O-N 3.42Å; V327-V359 HydrophobicContact CG1-CG2 3.78Å; V327-I365 HydrophobicContact CG1-CG2 3.99Å; V327-A368 HydrophobicContact CG1-CB 4.01Å; V327-A368 HydrophobicContact CG2-CB 3.89Å; V327-V369 HydrophobicContact CB-CG2 3.69Å; V327-V369 HydrophobicContact CG1-CG2 3.91Å; V327-V369 HydrophobicContact CG2-CG2 4.03Å; V327-E372 HydrophobicContact CG2-CG 4.29Å; V327-I400 WeakPolarHBondContact CA-O 3.49Å
328I98.7Very high94.1Very high8 Ų836 Ų364%0.04119%0.19CC..EExtended strand (participates in β ladder)trans-136.5124.3170.7-178.7164.7000108.6C354 L355 A356 M399 I400 G401 C402 I449 A450 L453I328-C354 HydrophobicContact CD1-CB 4.01Å; I328-C354 HydrophobicContact CG1-CB 3.61Å; I328-L355 WeakPolarHBondContact CA-O 3.25Å; I328-A356 HydrophobicContact CB-CB 3.83Å; I328-A356 HydrophobicContact CD1-CB 4.21Å; I328-A356 HydrophobicContact CG1-CB 3.92Å; I328-M399 HydrophobicContact CB-CE 4.08Å; I328-M399 HydrophobicContact CD1-CE 4.23Å; I328-M399 HydrophobicContact CG2-CB 4.18Å; I328-M399 HydrophobicContact CG2-CE 4.15Å; I328-I400 PolarHBondContact N-O 2.94Å; I328-G401 CarbonylContact O-C 3.2Å; I328-G401 VanDerWaalsContact O-CA 3.31Å; I328-G401 WeakPolarHBondContact O-CA 3.23Å; I328-C402 PolarHBondContact O-N 3.07Å; I328-I449 HydrophobicContact CD1-CG2 4.05Å; I328-I449 HydrophobicContact CG2-CD1 4.1Å; I328-I449 HydrophobicContact CG2-CG1 4.37Å; I328-I449 HydrophobicContact CG2-CG2 3.86Å; I328-A450 HydrophobicContact CD1-CB 3.83Å; I328-L453 HydrophobicContact CG1-CD1 4.34Å; I328-L453 HydrophobicContact CG2-CD1 4.16Å; I328-L453 WeakPolarHBondContact O-CD1 3.37Å
329M98.4Very high94.1Very high0 Ų034.4 Ų34.40%018%0.18CC..EExtended strand (participates in β ladder)trans-126.7127.5-163.146.3-77.5-173.500112.3V327 V331 C354 L355 V369 E372 V373 C402 A404V327-M329 HydrophobicContact CB-SD 4.42Å; V327-M329 HydrophobicContact CG2-SD 4.11Å; M329-V331 HydrophobicContact CB-CG2 4.41Å; M329-V331 HydrophobicContact CG-CG2 4.08Å; M329-V331 PolarHBondContact O-N 3.42Å; M329-C354 WeakPolarHBondContact O-CB 3.17Å; M329-L355 HydrophobicContact CE-CB 3.76Å; M329-L355 PolarHBondContact N-O 3.15Å; M329-V369 HydrophobicContact CB-CG1 3.87Å; M329-V369 HydrophobicContact CB-CG2 4.27Å; M329-V369 HydrophobicContact CG-CG1 3.98Å; M329-V369 HydrophobicContact SD-CG1 4.5Å; M329-V369 HydrophobicContact SD-CG2 4.23Å; M329-E372 HydrophobicContact CE-CB 3.4Å; M329-E372 VanDerWaalsContact CE-CB 3.4Å; M329-E372 HydrophobicContact CE-CG 4.43Å; M329-V373 HydrophobicContact CE-CG2 3.6Å; M329-V373 HydrophobicContact CG-CG2 3.62Å; M329-V373 HydrophobicContact SD-CG2 4.41Å; M329-C402 CarbonylContact C-O 3.56Å; M329-C402 WeakPolarHBondContact CA-O 3.3Å; M329-C402 HydrophobicContact CB-CB 4.43Å; M329-A404 HydrophobicContact CB-CB 4.36Å
330Q98.3Very high94.1Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-84.4102.5162.4177.459.380.100108.7C402 L403 A404 L453 W457Q330-C402 PolarHBondContact N-O 3.3Å; Q330-L403 HydrophobicContact CB-CD2 3.81Å; Q330-L403 HydrophobicContact CG-CD2 4.04Å; Q330-A404 PolarHBondContact O-N 3.37Å; Q330-L453 HydrophobicContact CB-CB 3.98Å; Q330-W457 HydrophobicContact CG-CB 3.81Å; Q330-W457 HydrophobicContact CG-CG 4.16Å
331V98Very high94.1Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-85.9125.8178.7-1720000109.4M329 C339 L340 V373 V381 A404 A406 W423M329-V331 HydrophobicContact CB-CG2 4.41Å; M329-V331 HydrophobicContact CG-CG2 4.08Å; M329-V331 PolarHBondContact O-N 3.42Å; V331-C339 CarbonylContact O-C 3.59Å; V331-C339 VanDerWaalsContact O-CA 3.25Å; V331-C339 WeakPolarHBondContact O-CA 3.22Å; V331-C339 WeakPolarHBondContact O-CB 3.43Å; V331-L340 HydrophobicContact CB-CB 3.87Å; V331-L340 HydrophobicContact CB-CD2 4.42Å; V331-L340 HydrophobicContact CG1-CB 4.37Å; V331-L340 HydrophobicContact CG2-CD2 4.47Å; V331-L340 PolarHBondContact O-N 3.39Å; V331-V373 HydrophobicContact CG2-CG1 4.03Å; V331-V373 HydrophobicContact CG2-CG2 3.59Å; V331-V381 HydrophobicContact CG1-CG2 4.17Å; V331-A404 CarbonylContact C-O 3.58Å; V331-A404 WeakPolarHBondContact CA-O 3.36Å; V331-A404 HydrophobicContact CB-CB 4.46Å; V331-A404 HydrophobicContact CG2-CB 4.13Å; V331-A406 HydrophobicContact CG1-CB 3.92Å; V331-W423 HydrophobicContact CG1-CH2 4.18Å
332I94.8Very high94Very high1 Ų128.4 Ų28.41%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-102.7130.3-178.4-52.1172.8000107.6F109 L110 A404 A406F109-I332 HydrophobicContact CE2-CD1 3.89Å; F109-I332 HydrophobicContact CE2-CG2 4.46Å; L110-I332 HydrophobicContact CD2-CD1 4.4Å; I332-A404 PolarHBondContact N-O 3.36Å; I332-A406 WeakPolarHBondContact O-CB 3.31Å; I332-A406 PolarHBondContact O-N 2.85Å
333H91.9Very high93.9Very high31 Ų3123 Ų2314%0.14413%0.13CC..PPolyproline II helixtrans-64.9153.8177-174.2-96.2000111.2D335 G336 H338 T409 W423H333-D335 WeakPolarHBondContact CB-OD1 3.39Å; H333-D335 IonicContact CE1-OD2 2.93Å; H333-D335 IonicContact CG-OD1 3.91Å; H333-D335 PolarHBondContact ND1-N 3.17Å; H333-D335 IonicContact ND1-OD1 3.88Å; H333-D335 PolarHBondContact ND1-OD1 2.86Å; H333-D335 IonicContact ND1-OD2 3.74Å; H333-D335 PolarHBondContact ND1-OD2 3.14Å; H333-D335 PolarHBondContact O-N 3.39Å; H333-G336 PolarHBondContact O-N 2.89Å; H333-H338 HydrophobicContact CB-CB 3.6Å; H333-H338 WeakPolarHBondContact CB-O 3.13Å; H333-H338 PolarHBondContact N-O 3.44Å; H333-T409 WeakPolarHBondContact NE2-CG2 3.16Å; H333-W423 HydrophobicContact CB-CD2 4.41Å; H333-W423 HydrophobicContact CB-CE3 3.77Å; H333-W423 HydrophobicContact CB-CH2 4.2Å; H333-W423 HydrophobicContact CB-CZ3 3.65Å; H333-W423 AromaticContact CD2-CD2 3.67Å; H333-W423 AromaticContact CD2-CE2 3.62Å; H333-W423 AromaticContact CD2-CE3 3.93Å; H333-W423 AromaticContact CD2-CZ2 3.87Å
334P79.6Confident93.7Very high69 Ų6920.3 Ų20.345%0.44811%0.112SC..THydrogen-bonded Turntrans-54.2-24.1179.9-27.132.9000115.7A406 T409P334-A406 WeakPolarHBondContact CG-O 3.4Å; P334-T409 HydrophobicContact CG-CG2 3.9Å
335D78.9Confident93.3Very high62 Ų6227.8 Ų27.833%0.33214%0.143SC..THydrogen-bonded Turntrans-79.2-12.9176.570.5-0.2000114.4H333 N337 H338H333-D335 WeakPolarHBondContact CB-OD1 3.39Å; H333-D335 IonicContact CE1-OD2 2.93Å; H333-D335 IonicContact CG-OD1 3.91Å; H333-D335 PolarHBondContact ND1-N 3.17Å; H333-D335 IonicContact ND1-OD1 3.88Å; H333-D335 PolarHBondContact ND1-OD1 2.86Å; H333-D335 IonicContact ND1-OD2 3.74Å; H333-D335 PolarHBondContact ND1-OD2 3.14Å; H333-D335 PolarHBondContact O-N 3.39Å; D335-N337 PolarHBondContact O-N 2.65Å; D335-N337 PolarHBondContact OD1-N 2.65Å; D335-H338 PolarHBondContact OD1-N 3.19Å; D335-H338 IonicContact OD1-ND1 2.62Å; D335-H338 IonicContact OD2-CE1 3.6Å; D335-H338 PolarHBondContact OD2-CE1 3.18Å; D335-H338 IonicContact OD2-CG 3.47Å; D335-H338 IonicContact OD2-ND1 2.8Å; D335-H338 PolarHBondContact OD2-ND1 2.88Å
336G76.9Confident92.9Very high6 Ų634.7 Ų34.76%0.06216%0.162CC..SBendtrans77.3-4.6-176.200000116H333 R426H333-G336 PolarHBondContact O-N 2.89Å; G336-R426 PolarHBondContact O-NH2 3.23Å
337N83.3Confident92.5Very high45 Ų4536.4 Ų36.424%0.24117%0.169CC..SBendtrans-110.5-9.8-172.2-73-31.8000114.2D335 R426 A462D335-N337 PolarHBondContact O-N 2.65Å; D335-N337 PolarHBondContact OD1-N 2.65Å; N337-R426 WeakPolarHBondContact O-CB 3.24Å; N337-R426 PolarHBondContact O-N 2.86Å; N337-A462 VanDerWaalsContact OD1-CB 3.3Å; N337-A462 WeakPolarHBondContact OD1-CB 3.4Å
338H93.2Very high92.1Very high53 Ų5339.7 Ų39.725%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-116.8159.5171.1-60.680.4000112.2H333 D335 W423 F424 T425H333-H338 HydrophobicContact CB-CB 3.6Å; H333-H338 WeakPolarHBondContact CB-O 3.13Å; H333-H338 PolarHBondContact N-O 3.44Å; D335-H338 PolarHBondContact OD1-N 3.19Å; D335-H338 IonicContact OD1-ND1 2.62Å; D335-H338 IonicContact OD2-CE1 3.6Å; D335-H338 PolarHBondContact OD2-CE1 3.18Å; D335-H338 IonicContact OD2-CG 3.47Å; D335-H338 IonicContact OD2-ND1 2.8Å; D335-H338 PolarHBondContact OD2-ND1 2.88Å; H338-W423 HydrophobicContact CB-CB 4.33Å; H338-W423 HydrophobicContact CB-CE3 4.33Å; H338-F424 CarbonylContact C-O 3.44Å; H338-F424 VanDerWaalsContact CA-O 3.23Å; H338-F424 WeakPolarHBondContact CA-O 3.34Å; H338-T425 WeakPolarHBondContact NE2-CG2 3.4Å
339C97.1Very high91.8Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-136.2148.217487.20000112.1V331 W423 F424 W457V331-C339 CarbonylContact O-C 3.59Å; V331-C339 VanDerWaalsContact O-CA 3.25Å; V331-C339 WeakPolarHBondContact O-CA 3.22Å; V331-C339 WeakPolarHBondContact O-CB 3.43Å; C339-W423 VanDerWaalsContact C-CE3 3.42Å; C339-W423 CarbonylContact O-C 3.6Å; C339-W423 WeakPolarHBondContact O-CA 3.4Å; C339-F424 PolarHBondContact N-O 2.7Å; C339-F424 PolarHBondContact O-N 2.87Å; C339-W457 HydrophobicContact CB-CD2 4.03Å; C339-W457 HydrophobicContact CB-CE3 3.99Å; C339-W457 HydrophobicContact CB-CH2 3.57Å; C339-W457 HydrophobicContact CB-CZ2 3.63Å; C339-W457 HydrophobicContact CB-CZ3 3.77Å; C339-W457 VanDerWaalsContact SG-CZ3 3.54Å
340L98.6Very high91.4Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-87.4129.5179.3-168.664.6000109V331 L355 V373 A377 V379 I411 A421 W423V331-L340 HydrophobicContact CB-CB 3.87Å; V331-L340 HydrophobicContact CB-CD2 4.42Å; V331-L340 HydrophobicContact CG1-CB 4.37Å; V331-L340 HydrophobicContact CG2-CD2 4.47Å; V331-L340 PolarHBondContact O-N 3.39Å; L340-L355 HydrophobicContact CD2-CD1 3.85Å; L340-V373 HydrophobicContact CD2-CG1 4.12Å; L340-A377 HydrophobicContact CD2-CB 3.9Å; L340-V379 HydrophobicContact CD2-CB 4.3Å; L340-V379 HydrophobicContact CD2-CG2 4.12Å; L340-I411 HydrophobicContact CD1-CD1 3.6Å; L340-I411 HydrophobicContact CD1-CG1 4.19Å; L340-A421 HydrophobicContact CD1-CB 4.41Å; L340-W423 HydrophobicContact CB-CE3 3.91Å; L340-W423 HydrophobicContact CB-CH2 3.95Å; L340-W423 HydrophobicContact CB-CZ3 3.56Å; L340-W423 HydrophobicContact CD1-CD2 4.19Å; L340-W423 HydrophobicContact CD1-CE3 4.34Å; L340-W423 HydrophobicContact CD1-CH2 4.49Å; L340-W423 HydrophobicContact CD1-CZ2 4.36Å; L340-W423 HydrophobicContact CD1-CZ3 4.5Å
341L98.4Very high91.2Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-131.1146.2167.3-55171.1000109.6F352 T353 A421 R422 F424 F441 V443 I454L341-F352 HydrophobicContact CB-CB 3.97Å; L341-F352 HydrophobicContact CB-CD1 4.29Å; L341-F352 HydrophobicContact CD1-CB 4.35Å; L341-T353 WeakPolarHBondContact CA-O 3.39Å; L341-A421 WeakPolarHBondContact O-CA 3.34Å; L341-R422 PolarHBondContact N-O 3.39Å; L341-R422 VanDerWaalsContact N-O 3.08Å; L341-R422 PolarHBondContact O-N 3.11Å; L341-F424 HydrophobicContact CB-CD2 3.77Å; L341-F424 HydrophobicContact CB-CE2 3.66Å; L341-F424 HydrophobicContact CD1-CD2 3.82Å; L341-F424 HydrophobicContact CD1-CE2 4.21Å; L341-F424 HydrophobicContact CD1-CG 4.18Å; L341-F424 HydrophobicContact CG-CD2 3.91Å; L341-F424 HydrophobicContact CG-CE2 4.29Å; L341-F441 HydrophobicContact CD1-CE2 4.28Å; L341-V443 HydrophobicContact CD1-CG1 4.45Å; L341-I454 HydrophobicContact CD2-CD1 3.95Å; L341-I454 HydrophobicContact CD2-CG1 4.11Å
342G97.4Very high91.2Very high2 Ų247.6 Ų47.62%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-121.6169.5177.100000112.9F352 T353 D420G342-F352 WeakPolarHBondContact O-CA 3.42Å; G342-T353 PolarHBondContact N-O 3.15Å; G342-T353 PolarHBondContact O-N 2.94Å; G342-D420 CarbonylContact C-O 3.57Å; G342-D420 VanDerWaalsContact CA-O 3.23Å; G342-D420 WeakPolarHBondContact CA-O 3.48Å
343R96.2Very high91.3Very high21 Ų2148.4 Ų48.48%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-142.7148.517162.4166.4-78118-1.7111.8F347 P348 M351 F352 I418 E419 D420R343-F347 HydrophobicContact CB-CD2 4.3Å; R343-F347 PolarHBondContact NH2-O 3.47Å; R343-F347 VanDerWaalsContact NH2-O 3.17Å; R343-P348 PolarHBondContact NH1-O 3.03Å; R343-M351 WeakPolarHBondContact CB-O 3.39Å; R343-M351 PolarHBondContact NH1-O 3.5Å; R343-F352 HydrophobicContact CB-CD1 4.26Å; R343-F352 HydrophobicContact CB-CE1 4.28Å; R343-F352 HydrophobicContact CB-CG 4.43Å; R343-F352 HydrophobicContact CB-CZ 4.44Å; R343-F352 HydrophobicContact CG-CD1 4.26Å; R343-F352 HydrophobicContact CG-CE1 3.77Å; R343-F352 HydrophobicContact CG-CE2 4.16Å; R343-F352 HydrophobicContact CG-CZ 3.69Å; R343-I418 WeakPolarHBondContact O-CB 3.42Å; R343-E419 HydrophobicContact CG-CB 4.45Å; R343-E419 IonicContact CZ-OE2 3.93Å; R343-E419 IonicContact NE-OE2 4Å; R343-E419 PolarHBondContact NE-OE2 3.43Å; R343-E419 IonicContact NH2-OE2 2.85Å; R343-E419 PolarHBondContact NH2-OE2 3.18Å; R343-E419 PolarHBondContact O-N 3.41Å; R343-D420 HydrophobicContact CG-CB 3.9Å; R343-D420 PolarHBondContact N-O 3.16Å; R343-D420 PolarHBondContact O-N 3.19Å
344Q92.6Very high91.6Very high41 Ų4147.1 Ų47.119%0.19224%0.243CC..  trans-98.1153.7170.8-66.9178.8-200110.7R346 F347 I418Q344-R346 HydrophobicContact CB-CG 4.16Å; Q344-R346 PolarHBondContact O-N 3.31Å; Q344-R346 VanDerWaalsContact O-N 3.09Å; Q344-F347 HydrophobicContact CB-CD1 4.28Å; Q344-F347 HydrophobicContact CB-CD2 4.23Å; Q344-F347 HydrophobicContact CB-CE1 4.22Å; Q344-F347 HydrophobicContact CB-CE2 4.16Å; Q344-F347 HydrophobicContact CB-CG 4.28Å; Q344-F347 HydrophobicContact CB-CZ 4.16Å; Q344-F347 HydrophobicContact CG-CE2 4.27Å; Q344-F347 HydrophobicContact CG-CZ 4.19Å; Q344-F347 WeakPolarHBondContact O-CB 3.12Å; Q344-F347 PolarHBondContact O-N 2.94Å; Q344-I418 HydrophobicContact CG-CG2 3.95Å
345K90.9Very high92.5Very high180 Ų18044.1 Ų44.178%0.78322%0.223SC*.THydrogen-bonded Turntrans-55.6-30.8-179.9-169.9176.3-177.7177.90113.8F347 E419K345-F347 VanDerWaalsContact C-N 3.33Å; K345-E419 WeakPolarHBondContact CA-OE2 3.34Å; K345-E419 HydrophobicContact CB-CB 4.39Å
346R90.8Very high93.4Very high199 Ų19942.7 Ų42.775%0.75122%0.219SC*.THydrogen-bonded Turntrans-76.9-14.4179.265.8-178.6173.4-166.6-2.3114.3Q344Q344-R346 HydrophobicContact CB-CG 4.16Å; Q344-R346 PolarHBondContact O-N 3.31Å; Q344-R346 VanDerWaalsContact O-N 3.09Å
347F89.9Confident94.4Very high47 Ų4742.8 Ų42.821%0.20622%0.22CC..SBendtrans-74.5150.1-178.3-67.9-9.9000111.1R343 Q344 K345 M351 T353R343-F347 HydrophobicContact CB-CD2 4.3Å; R343-F347 PolarHBondContact NH2-O 3.47Å; R343-F347 VanDerWaalsContact NH2-O 3.17Å; Q344-F347 HydrophobicContact CB-CD1 4.28Å; Q344-F347 HydrophobicContact CB-CD2 4.23Å; Q344-F347 HydrophobicContact CB-CE1 4.22Å; Q344-F347 HydrophobicContact CB-CE2 4.16Å; Q344-F347 HydrophobicContact CB-CG 4.28Å; Q344-F347 HydrophobicContact CB-CZ 4.16Å; Q344-F347 HydrophobicContact CG-CE2 4.27Å; Q344-F347 HydrophobicContact CG-CZ 4.19Å; Q344-F347 WeakPolarHBondContact O-CB 3.12Å; Q344-F347 PolarHBondContact O-N 2.94Å; K345-F347 VanDerWaalsContact C-N 3.33Å; F347-M351 HydrophobicContact CB-CB 4.38Å; F347-M351 HydrophobicContact CB-CE 4.36Å; F347-M351 HydrophobicContact CD1-CE 4.29Å; F347-M351 HydrophobicContact CD2-CE 3.79Å; F347-M351 HydrophobicContact CE2-CE 4.11Å; F347-M351 HydrophobicContact CG-CE 3.91Å; F347-M351 HydrophobicContact CZ-CE 4.49Å; F347-T353 HydrophobicContact CD2-CG2 4.37Å; F347-T353 HydrophobicContact CE2-CG2 3.6Å; F347-T353 HydrophobicContact CZ-CG2 4.39Å
348P90.5Very high95.2Very high69 Ų6946.4 Ų46.445%0.44823%0.234SC..PPolyproline II helixtrans-47.6139.9172.4-28.135.5000111.3R343 G350 M351 F442R343-P348 PolarHBondContact NH1-O 3.03Å; P348-G350 PolarHBondContact O-N 3.26Å; P348-M351 HydrophobicContact CB-CB 4.42Å; P348-M351 HydrophobicContact CG-SD 4.47Å; P348-M351 WeakPolarHBondContact O-CB 3.49Å; P348-M351 PolarHBondContact O-N 3.41Å; P348-F442 HydrophobicContact CB-CZ 3.87Å
349P91.2Very high95.4Very high119 Ų11945.3 Ų45.377%0.77323%0.231SC*.THydrogen-bonded Turntrans-52.8131.4177.7-27.335.4000111.3M351 F442P349-M351 VanDerWaalsContact C-N 3.32Å; P349-M351 PolarHBondContact O-N 2.97Å; P349-F442 WeakPolarHBondContact O-CE1 3.47Å
350G91.2Very high95.5Very high21 Ų2150.6 Ų50.622%0.21626%0.256CS..THydrogen-bonded Turntrans84-8.7-177.900000115.5P348 F352 F441 F442P348-G350 PolarHBondContact O-N 3.26Å; G350-F352 PolarHBondContact O-N 2.9Å; G350-F441 CarbonylContact O-C 3.47Å; G350-F441 WeakPolarHBondContact O-CA 3.48Å; G350-F441 VanDerWaalsContact O-CB 3.23Å; G350-F441 WeakPolarHBondContact O-CB 3.14Å; G350-F442 PolarHBondContact O-N 2.88Å
351M94.4Very high95.5Very high28 Ų2857 Ų5714%0.13830%0.298CS..BIsolated β-bridgetrans-75.3126.6174.2-164.7175.110800110.9R343 F347 P348 P349 F442 P444R343-M351 WeakPolarHBondContact CB-O 3.39Å; R343-M351 PolarHBondContact NH1-O 3.5Å; F347-M351 HydrophobicContact CB-CB 4.38Å; F347-M351 HydrophobicContact CB-CE 4.36Å; F347-M351 HydrophobicContact CD1-CE 4.29Å; F347-M351 HydrophobicContact CD2-CE 3.79Å; F347-M351 HydrophobicContact CE2-CE 4.11Å; F347-M351 HydrophobicContact CG-CE 3.91Å; F347-M351 HydrophobicContact CZ-CE 4.49Å; P348-M351 HydrophobicContact CB-CB 4.42Å; P348-M351 HydrophobicContact CG-SD 4.47Å; P348-M351 WeakPolarHBondContact O-CB 3.49Å; P348-M351 PolarHBondContact O-N 3.41Å; P349-M351 VanDerWaalsContact C-N 3.32Å; P349-M351 PolarHBondContact O-N 2.97Å; M351-F442 WeakPolarHBondContact CA-O 3.27Å; M351-F442 HydrophobicContact CB-CD2 4.32Å; M351-F442 HydrophobicContact CB-CE1 4.07Å; M351-F442 HydrophobicContact CB-CE2 3.74Å; M351-F442 HydrophobicContact CB-CZ 3.63Å; M351-F442 HydrophobicContact CG-CD2 4.09Å; M351-F442 HydrophobicContact CG-CE2 3.66Å; M351-F442 HydrophobicContact CG-CZ 4.09Å; M351-F442 HydrophobicContact SD-CE2 3.99Å; M351-P444 HydrophobicContact CE-CG 4.22Å
352F96.8Very high95.4Very high5 Ų561.5 Ų61.52%0.02234%0.343CS..  trans-124.6145.6170.6-81.2-100000110L341 G342 R343 G350 D420 F424 F441 F442 V443 P444L341-F352 HydrophobicContact CB-CB 3.97Å; L341-F352 HydrophobicContact CB-CD1 4.29Å; L341-F352 HydrophobicContact CD1-CB 4.35Å; G342-F352 WeakPolarHBondContact O-CA 3.42Å; R343-F352 HydrophobicContact CB-CD1 4.26Å; R343-F352 HydrophobicContact CB-CE1 4.28Å; R343-F352 HydrophobicContact CB-CG 4.43Å; R343-F352 HydrophobicContact CB-CZ 4.44Å; R343-F352 HydrophobicContact CG-CD1 4.26Å; R343-F352 HydrophobicContact CG-CE1 3.77Å; R343-F352 HydrophobicContact CG-CE2 4.16Å; R343-F352 HydrophobicContact CG-CZ 3.69Å; G350-F352 PolarHBondContact O-N 2.9Å; F352-D420 HydrophobicContact CE1-CB 4.26Å; F352-D420 HydrophobicContact CZ-CB 4.21Å; F352-D420 WeakPolarHBondContact CZ-OD2 3.31Å; F352-F424 HydrophobicContact CB-CZ 4.3Å; F352-F424 AromaticContact CD1-CE2 3.77Å; F352-F424 HydrophobicContact CD1-CE2 3.77Å; F352-F424 AromaticContact CD1-CZ 3.63Å; F352-F424 HydrophobicContact CD1-CZ 3.63Å; F352-F424 HydrophobicContact CD2-CZ 4.16Å; F352-F424 HydrophobicContact CE1-CE2 4.25Å; F352-F424 AromaticContact CE1-CZ 3.95Å; F352-F424 HydrophobicContact CE1-CZ 3.95Å; F352-F424 HydrophobicContact CE2-CZ 4.45Å; F352-F424 HydrophobicContact CG-CE2 4.2Å; F352-F424 AromaticContact CG-CZ 3.76Å; F352-F424 HydrophobicContact CG-CZ 3.76Å; F352-F424 HydrophobicContact CZ-CZ 4.36Å; F352-F441 HydrophobicContact CB-CD2 4.2Å; F352-F441 HydrophobicContact CD2-CB 3.93Å; F352-F441 HydrophobicContact CE2-CB 4.48Å; F352-F442 PolarHBondContact N-O 2.89Å; F352-V443 WeakPolarHBondContact O-CA 3.47Å; F352-P444 WeakPolarHBondContact O-CD 3.33Å
353T97.4Very high95.4Very high18 Ų1863.4 Ų63.411%0.1135%0.352CS..BIsolated β-bridgetrans-146.6168.6-175.4-176.90000111.1L341 G342 F347 A450L341-T353 WeakPolarHBondContact CA-O 3.39Å; G342-T353 PolarHBondContact N-O 3.15Å; G342-T353 PolarHBondContact O-N 2.94Å; F347-T353 HydrophobicContact CD2-CG2 4.37Å; F347-T353 HydrophobicContact CE2-CG2 3.6Å; F347-T353 HydrophobicContact CZ-CG2 4.39Å; T353-A450 VanDerWaalsContact OG1-CB 3.23Å; T353-A450 WeakPolarHBondContact OG1-CB 3.19Å
354C98.3Very high95.5Very high5 Ų565.4 Ų65.43%0.03437%0.367CS..  trans-54.5144.2166-57.60000110.7I328 M329 A450I328-C354 HydrophobicContact CD1-CB 4.01Å; I328-C354 HydrophobicContact CG1-CB 3.61Å; M329-C354 WeakPolarHBondContact O-CB 3.17Å; C354-A450 HydrophobicContact CB-CB 4.3Å
355L98.4Very high95.8Very high6 Ų666.2 Ų66.23%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-67.7150.2169.2-55.8-171.8000109.5I328 M329 L340 V373 E376 A377 I418I328-L355 WeakPolarHBondContact CA-O 3.25Å; M329-L355 HydrophobicContact CE-CB 3.76Å; M329-L355 PolarHBondContact N-O 3.15Å; L340-L355 HydrophobicContact CD2-CD1 3.85Å; L355-V373 HydrophobicContact CD1-CG1 4.41Å; L355-V373 HydrophobicContact CD1-CG2 4.43Å; L355-E376 WeakPolarHBondContact CB-OE2 3.37Å; L355-E376 HydrophobicContact CD1-CB 4.29Å; L355-E376 WeakPolarHBondContact CD2-OE2 3.34Å; L355-A377 HydrophobicContact CD1-CB 3.94Å; L355-I418 HydrophobicContact CD2-CD1 4.44Å
356A98.2Very high96.1Very high31 Ų3161.3 Ų61.326%0.25635%0.351SS..EExtended strand (participates in β ladder)trans-159.9142.3-176.600000112.2V326 V327 I328 M399V326-A356 HydrophobicContact CG1-CB 4.39Å; V327-A356 CarbonylContact O-C 3.08Å; V327-A356 WeakPolarHBondContact O-CA 3.49Å; V327-A356 VanDerWaalsContact O-CB 3.27Å; V327-A356 WeakPolarHBondContact O-CB 3.35Å; I328-A356 HydrophobicContact CB-CB 3.83Å; I328-A356 HydrophobicContact CD1-CB 4.21Å; I328-A356 HydrophobicContact CG1-CB 3.92Å; A356-M399 HydrophobicContact CB-CE 4.44Å
357G97.9Very high96.4Very high8 Ų855.3 Ų55.38%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-160.517317700000113.9V326 V327 E372V326-G357 CarbonylContact C-O 3.15Å; V326-G357 VanDerWaalsContact CA-O 3.28Å; V326-G357 WeakPolarHBondContact CA-O 3.47Å; V326-G357 WeakPolarHBondContact CG1-O 3.49Å; V327-G357 WeakPolarHBondContact CG2-O 3.39Å; V327-G357 PolarHBondContact N-O 3.32Å; V327-G357 PolarHBondContact O-N 3.42Å; G357-E372 VanDerWaalsContact CA-CD 3.45Å; G357-E372 WeakPolarHBondContact CA-OE1 3.31Å
358F98.7Very high96.8Very high122 Ų12253.1 Ų53.154%0.53533%0.325SS..EExtended strand (participates in β ladder)trans-77.5142.9-173.7-71.2-81.5000110.6D324 V326 R371 E372D324-F358 HydrophobicContact CB-CD1 4.14Å; D324-F358 HydrophobicContact CB-CE1 3.8Å; V326-F358 HydrophobicContact CG2-CD1 3.5Å; V326-F358 VanDerWaalsContact CG2-CD1 3.5Å; V326-F358 HydrophobicContact CG2-CE1 3.51Å; V326-F358 HydrophobicContact CG2-CG 4.25Å; V326-F358 HydrophobicContact CG2-CZ 4.28Å; F358-R371 PolarHBondContact O-NH2 2.97Å; F358-E372 PolarHBondContact N-OE1 3.41Å
359V98.7Very high97.2Very high29 Ų2949.8 Ų49.818%0.17630%0.303CS..PPolyproline II helixtrans-75132.2169.2-176.40000109P325 V327 E363 A368P325-V359 HydrophobicContact CB-CB 4.19Å; P325-V359 HydrophobicContact CB-CG2 3.99Å; P325-V359 HydrophobicContact CG-CB 3.98Å; P325-V359 HydrophobicContact CG-CG2 4.36Å; P325-V359 PolarHBondContact O-N 3.27Å; V327-V359 HydrophobicContact CG1-CG2 3.78Å; V359-E363 HydrophobicContact CG1-CB 4.02Å; V359-A368 HydrophobicContact CB-CB 4.32Å; V359-A368 HydrophobicContact CG1-CB 4.25Å; V359-A368 HydrophobicContact CG2-CB 3.94Å
360E98.6Very high97.5Very high112 Ų11247.8 Ų47.852%0.52328%0.28SS..PPolyproline II helixtrans-86.3159.5179.2-69.2-159.5157.200113.5G362 E363E360-G362 PolarHBondContact O-N 3.02Å; E360-E363 HydrophobicContact CB-CB 4.22Å; E360-E363 PolarHBondContact N-OE2 3.41Å; E360-E363 WeakPolarHBondContact O-CB 3.36Å; E360-E363 PolarHBondContact O-N 3.4Å; E360-E363 VanDerWaalsContact O-N 3.08Å
361P98.3Very high97.9Very high135 Ų13548.7 Ų48.788%0.87728%0.277SS*.THydrogen-bonded Turntrans-58.6123.9175.7-24.535.2000112.9E363P361-E363 VanDerWaalsContact C-N 3.31Å
362G96.7Very high98.1Very high93 Ų9348.1 Ų48.196%0.95927%0.274SS*.THydrogen-bonded Turntrans85.42.4-178.700000114.2E360E360-G362 PolarHBondContact O-N 3.02Å
363E97.5Very high98.2Very high43 Ų4347.9 Ų47.920%0.20127%0.273CS..  trans-92.3143.3-179.5-160.4174.9-144.600111.8V359 E360 P361 D367 A368 R371V359-E363 HydrophobicContact CG1-CB 4.02Å; E360-E363 HydrophobicContact CB-CB 4.22Å; E360-E363 PolarHBondContact N-OE2 3.41Å; E360-E363 WeakPolarHBondContact O-CB 3.36Å; E360-E363 PolarHBondContact O-N 3.4Å; E360-E363 VanDerWaalsContact O-N 3.08Å; P361-E363 VanDerWaalsContact C-N 3.31Å; E363-D367 HydrophobicContact CG-CB 3.71Å; E363-A368 HydrophobicContact CG-CB 4.11Å; E363-A368 VanDerWaalsContact OE1-CA 3.27Å; E363-A368 WeakPolarHBondContact OE1-CA 3.4Å; E363-A368 PolarHBondContact OE1-N 2.96Å; E363-A368 WeakPolarHBondContact OE2-CA 3.39Å; E363-A368 VanDerWaalsContact OE2-CB 3.27Å; E363-A368 WeakPolarHBondContact OE2-CB 3.26Å; E363-R371 IonicContact OE1-CZ 2.82Å; E363-R371 IonicContact OE1-NE 2.76Å; E363-R371 PolarHBondContact OE1-NE 2.98Å; E363-R371 IonicContact OE1-NH2 2.71Å; E363-R371 IonicContact OE2-CZ 2.73Å; E363-R371 IonicContact OE2-NE 3.33Å; E363-R371 PolarHBondContact OE2-NE 3Å; E363-R371 IonicContact OE2-NH2 3.15Å; E363-R371 PolarHBondContact OE2-NH2 3.25Å
364T97.9Very high98.2Very high63 Ų6351.6 Ų51.639%0.38729%0.289SS..  trans-82.2165.2168.968.90000110.7E366 D367 A368T364-E366 PolarHBondContact O-N 3.01Å; T364-D367 PolarHBondContact O-N 2.94Å; T364-D367 WeakPolarHBondContact OG1-CB 3.5Å; T364-D367 PolarHBondContact OG1-N 3.23Å; T364-D367 PolarHBondContact OG1-OD2 3.37Å; T364-A368 PolarHBondContact O-N 2.91Å
365I98.3Very high98.2Very high58 Ų5855.4 Ų55.430%0.29731%0.307SS..Hα-helixtrans-58.9-42.8174.3-72.1163.5000110V327 A368 V369 I400V327-I365 HydrophobicContact CG1-CG2 3.99Å; I365-A368 PolarHBondContact O-N 3.19Å; I365-V369 WeakPolarHBondContact O-CG2 3.44Å; I365-V369 PolarHBondContact O-N 3.33Å; I365-I400 HydrophobicContact CD1-CD1 4.23Å; I365-I400 HydrophobicContact CD1-CG2 4.01Å; I365-I400 HydrophobicContact CG1-CD1 4.19Å; I365-I400 HydrophobicContact CG1-CG2 4.32Å; I365-I400 HydrophobicContact CG2-CG2 3.95Å
366E98.2Very high98.2Very high76 Ų7655.5 Ų55.536%0.35531%0.307SS..Hα-helixtrans-67.8-38.3-177.7-61.483.517200112T364 V369 R370 V384T364-E366 PolarHBondContact O-N 3.01Å; E366-V369 PolarHBondContact O-N 3.12Å; E366-R370 VanDerWaalsContact O-CG 3.32Å; E366-R370 WeakPolarHBondContact O-CG 3.27Å; E366-R370 PolarHBondContact O-N 3.12Å; E366-R370 VanDerWaalsContact O-N 3.09Å; E366-R370 PolarHBondContact O-NH1 3.19Å; E366-V384 HydrophobicContact CB-CB 4.01Å; E366-V384 HydrophobicContact CB-CG1 4.34Å; E366-V384 HydrophobicContact CB-CG2 4.32Å; E366-V384 HydrophobicContact CG-CB 3.82Å; E366-V384 HydrophobicContact CG-CG1 4.04Å
367D97.4Very high98.1Very high74 Ų7454 Ų5440%0.39630%0.295SS..Hα-helixtrans-69.3-42.7177.3-63.3-32.5000111.4E363 T364 V369 R370 R371E363-D367 HydrophobicContact CG-CB 3.71Å; T364-D367 PolarHBondContact O-N 2.94Å; T364-D367 WeakPolarHBondContact OG1-CB 3.5Å; T364-D367 PolarHBondContact OG1-N 3.23Å; T364-D367 PolarHBondContact OG1-OD2 3.37Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 3.46Å; D367-R370 PolarHBondContact O-N 3.02Å; D367-R370 VanDerWaalsContact O-N 3.07Å; D367-R370 IonicContact OD1-NH1 3.01Å; D367-R370 PolarHBondContact OD1-NH1 3.37Å; D367-R371 WeakPolarHBondContact O-CB 3.17Å; D367-R371 PolarHBondContact O-N 3.48Å
368A98.6Very high98.1Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-58.4-44.517400000111.6V327 V359 E363 T364 I365 R370 R371 E372V327-A368 HydrophobicContact CG1-CB 4.01Å; V327-A368 HydrophobicContact CG2-CB 3.89Å; V359-A368 HydrophobicContact CB-CB 4.32Å; V359-A368 HydrophobicContact CG1-CB 4.25Å; V359-A368 HydrophobicContact CG2-CB 3.94Å; E363-A368 HydrophobicContact CG-CB 4.11Å; E363-A368 VanDerWaalsContact OE1-CA 3.27Å; E363-A368 WeakPolarHBondContact OE1-CA 3.4Å; E363-A368 PolarHBondContact OE1-N 2.96Å; E363-A368 WeakPolarHBondContact OE2-CA 3.39Å; E363-A368 VanDerWaalsContact OE2-CB 3.27Å; E363-A368 WeakPolarHBondContact OE2-CB 3.26Å; T364-A368 PolarHBondContact O-N 2.91Å; I365-A368 PolarHBondContact O-N 3.19Å; A368-R370 VanDerWaalsContact C-N 3.31Å; A368-R370 PolarHBondContact O-N 3.16Å; A368-R371 PolarHBondContact O-N 3.09Å; A368-E372 VanDerWaalsContact O-CB 3.25Å; A368-E372 WeakPolarHBondContact O-CB 3.13Å; A368-E372 WeakPolarHBondContact O-CG 3.5Å; A368-E372 PolarHBondContact O-N 3.12Å
369V98.7Very high97.9Very high0 Ų049 Ų490%028%0.277CS..Hα-helixtrans-59.3-42.4175.41660000111.5V327 M329 I365 E366 D367 V373 V384 C402 A404V327-V369 HydrophobicContact CB-CG2 3.69Å; V327-V369 HydrophobicContact CG1-CG2 3.91Å; V327-V369 HydrophobicContact CG2-CG2 4.03Å; M329-V369 HydrophobicContact CB-CG1 3.87Å; M329-V369 HydrophobicContact CB-CG2 4.27Å; M329-V369 HydrophobicContact CG-CG1 3.98Å; M329-V369 HydrophobicContact SD-CG1 4.5Å; M329-V369 HydrophobicContact SD-CG2 4.23Å; I365-V369 WeakPolarHBondContact O-CG2 3.44Å; I365-V369 PolarHBondContact O-N 3.33Å; E366-V369 PolarHBondContact O-N 3.12Å; D367-V369 VanDerWaalsContact C-N 3.32Å; D367-V369 PolarHBondContact O-N 3.46Å; V369-V373 WeakPolarHBondContact O-CG2 3.32Å; V369-V373 PolarHBondContact O-N 3.15Å; V369-V384 HydrophobicContact CB-CG1 4.01Å; V369-V384 HydrophobicContact CB-CG2 4.1Å; V369-V384 HydrophobicContact CG1-CB 4.48Å; V369-V384 HydrophobicContact CG1-CG1 3.93Å; V369-V384 HydrophobicContact CG1-CG2 3.67Å; V369-V384 HydrophobicContact CG2-CG1 4.02Å; V369-C402 HydrophobicContact CG2-CB 4.04Å; V369-A404 HydrophobicContact CG1-CB 3.86Å
370R98.1Very high97.4Very high77 Ų7753 Ų5329%0.29129%0.293SS..Hα-helixtrans-68.4-47.4180-69.9177.6-166.8101.510111.7E366 D367 A368 E374 V381 G382 V384E366-R370 VanDerWaalsContact O-CG 3.32Å; E366-R370 WeakPolarHBondContact O-CG 3.27Å; E366-R370 PolarHBondContact O-N 3.12Å; E366-R370 VanDerWaalsContact O-N 3.09Å; E366-R370 PolarHBondContact O-NH1 3.19Å; D367-R370 PolarHBondContact O-N 3.02Å; D367-R370 VanDerWaalsContact O-N 3.07Å; D367-R370 IonicContact OD1-NH1 3.01Å; D367-R370 PolarHBondContact OD1-NH1 3.37Å; A368-R370 VanDerWaalsContact C-N 3.31Å; A368-R370 PolarHBondContact O-N 3.16Å; R370-E374 WeakPolarHBondContact O-CB 3.39Å; R370-E374 PolarHBondContact O-N 3.23Å; R370-E374 VanDerWaalsContact O-N 3.14Å; R370-V381 HydrophobicContact CG-CB 4Å; R370-V381 HydrophobicContact CG-CG1 4.02Å; R370-G382 PolarHBondContact NE-O 3.12Å; R370-G382 PolarHBondContact NH2-O 3.42Å; R370-V384 HydrophobicContact CG-CG2 4.32Å
371R98.5Very high97.1Very high40 Ų4048.4 Ų48.415%0.15127%0.272CS..Hα-helixtrans-59.2-55-179.8176.7-177.453.271.42.1110.7F358 E363 D367 A368 V373 E374 E375F358-R371 PolarHBondContact O-NH2 2.97Å; E363-R371 IonicContact OE1-CZ 2.82Å; E363-R371 IonicContact OE1-NE 2.76Å; E363-R371 PolarHBondContact OE1-NE 2.98Å; E363-R371 IonicContact OE1-NH2 2.71Å; E363-R371 IonicContact OE2-CZ 2.73Å; E363-R371 IonicContact OE2-NE 3.33Å; E363-R371 PolarHBondContact OE2-NE 3Å; E363-R371 IonicContact OE2-NH2 3.15Å; E363-R371 PolarHBondContact OE2-NH2 3.25Å; D367-R371 WeakPolarHBondContact O-CB 3.17Å; D367-R371 PolarHBondContact O-N 3.48Å; A368-R371 PolarHBondContact O-N 3.09Å; R371-V373 VanDerWaalsContact C-N 3.33Å; R371-V373 PolarHBondContact O-N 3.42Å; R371-E374 PolarHBondContact O-N 2.92Å; R371-E374 VanDerWaalsContact O-N 3.08Å; R371-E375 WeakPolarHBondContact CD-OE1 3.38Å; R371-E375 HydrophobicContact CG-CG 4.15Å; R371-E375 WeakPolarHBondContact CG-OE1 3.4Å; R371-E375 WeakPolarHBondContact CG-OE2 3.18Å; R371-E375 IonicContact CZ-OE2 2.92Å; R371-E375 IonicContact NH1-OE1 3.24Å; R371-E375 IonicContact NH1-OE2 3.56Å; R371-E375 PolarHBondContact NH1-OE2 3.29Å; R371-E375 WeakPolarHBondContact O-CB 3.33Å; R371-E375 WeakPolarHBondContact O-CG 3.27Å; R371-E375 PolarHBondContact O-N 3.36Å
372E98.5Very high96.5Very high16 Ų1643.1 Ų43.18%0.07524%0.242CC..Hα-helixtrans-60.4-39.6-176.2-70.5-74.4171.700112.5V327 M329 G357 F358 A368 E376V327-E372 HydrophobicContact CG2-CG 4.29Å; M329-E372 HydrophobicContact CE-CB 3.4Å; M329-E372 VanDerWaalsContact CE-CB 3.4Å; M329-E372 HydrophobicContact CE-CG 4.43Å; G357-E372 VanDerWaalsContact CA-CD 3.45Å; G357-E372 WeakPolarHBondContact CA-OE1 3.31Å; F358-E372 PolarHBondContact N-OE1 3.41Å; A368-E372 VanDerWaalsContact O-CB 3.25Å; A368-E372 WeakPolarHBondContact O-CB 3.13Å; A368-E372 WeakPolarHBondContact O-CG 3.5Å; A368-E372 PolarHBondContact O-N 3.12Å; E372-E376 WeakPolarHBondContact O-CB 3.4Å; E372-E376 PolarHBondContact O-N 3.03Å
373V98.5Very high95.9Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-68.3-37.8176.8178.60000111.7M329 V331 L340 L355 V369 R371 A377 G378 V379 V381M329-V373 HydrophobicContact CE-CG2 3.6Å; M329-V373 HydrophobicContact CG-CG2 3.62Å; M329-V373 HydrophobicContact SD-CG2 4.41Å; V331-V373 HydrophobicContact CG2-CG1 4.03Å; V331-V373 HydrophobicContact CG2-CG2 3.59Å; L340-V373 HydrophobicContact CD2-CG1 4.12Å; L355-V373 HydrophobicContact CD1-CG1 4.41Å; L355-V373 HydrophobicContact CD1-CG2 4.43Å; V369-V373 WeakPolarHBondContact O-CG2 3.32Å; V369-V373 PolarHBondContact O-N 3.15Å; R371-V373 VanDerWaalsContact C-N 3.33Å; R371-V373 PolarHBondContact O-N 3.42Å; V373-A377 PolarHBondContact O-N 3.19Å; V373-A377 VanDerWaalsContact O-N 3.11Å; V373-G378 PolarHBondContact O-N 2.9Å; V373-V379 HydrophobicContact CG1-CB 3.93Å; V373-V379 HydrophobicContact CG1-CG1 4.29Å; V373-V379 WeakPolarHBondContact CG1-O 3.47Å; V373-V381 HydrophobicContact CB-CG2 3.9Å; V373-V381 HydrophobicContact CG1-CG2 3.7Å; V373-V381 HydrophobicContact CG2-CG2 4.15Å
374E98.3Very high95.7Very high95 Ų9539.1 Ų39.144%0.44420%0.199SC..Hα-helixtrans-72-38.1177.8-171.7165.3-16100111.7R370 R371 G378 K380R370-E374 WeakPolarHBondContact O-CB 3.39Å; R370-E374 PolarHBondContact O-N 3.23Å; R370-E374 VanDerWaalsContact O-N 3.14Å; R371-E374 PolarHBondContact O-N 2.92Å; R371-E374 VanDerWaalsContact O-N 3.08Å; E374-G378 WeakPolarHBondContact O-CA 3.42Å; E374-G378 PolarHBondContact O-N 3.34Å; E374-K380 VanDerWaalsContact OE1-CE 3.26Å; E374-K380 WeakPolarHBondContact OE1-CE 3.41Å
375E97.8Very high95.4Very high86 Ų8638.6 Ų38.640%0.40219%0.192SC..Hα-helixtrans-65.4-54.8176.2-74.3173.1167.500111.8R371R371-E375 WeakPolarHBondContact CD-OE1 3.38Å; R371-E375 HydrophobicContact CG-CG 4.15Å; R371-E375 WeakPolarHBondContact CG-OE1 3.4Å; R371-E375 WeakPolarHBondContact CG-OE2 3.18Å; R371-E375 IonicContact CZ-OE2 2.92Å; R371-E375 IonicContact NH1-OE1 3.24Å; R371-E375 IonicContact NH1-OE2 3.56Å; R371-E375 PolarHBondContact NH1-OE2 3.29Å; R371-E375 WeakPolarHBondContact O-CB 3.33Å; R371-E375 WeakPolarHBondContact O-CG 3.27Å; R371-E375 PolarHBondContact O-N 3.36Å
376E97.9Very high95.2Very high8 Ų841.5 Ų41.54%0.03720%0.2CC..Hα-helixtrans-72.9-39.2-174.2-72.7-168.5154.400112.5L355 E372 V413 D414 E417 I418L355-E376 WeakPolarHBondContact CB-OE2 3.37Å; L355-E376 HydrophobicContact CD1-CB 4.29Å; L355-E376 WeakPolarHBondContact CD2-OE2 3.34Å; E372-E376 WeakPolarHBondContact O-CB 3.4Å; E372-E376 PolarHBondContact O-N 3.03Å; E376-V413 WeakPolarHBondContact O-CA 3.28Å; E376-D414 PolarHBondContact O-N 3.19Å; E376-E417 HydrophobicContact CG-CB 4.49Å; E376-E417 VanDerWaalsContact CG-OE2 3.3Å; E376-E417 WeakPolarHBondContact CG-OE2 3.49Å; E376-I418 HydrophobicContact CB-CD1 4.02Å; E376-I418 HydrophobicContact CB-CG1 4.19Å; E376-I418 HydrophobicContact CG-CG2 4.43Å; E376-I418 WeakPolarHBondContact O-CD1 3.47Å
377A98.1Very high94.9Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-125-5.3-168.400000115.3L340 L355 V373 V379 I411 K412 A421L340-A377 HydrophobicContact CD2-CB 3.9Å; L355-A377 HydrophobicContact CD1-CB 3.94Å; V373-A377 PolarHBondContact O-N 3.19Å; V373-A377 VanDerWaalsContact O-N 3.11Å; A377-V379 HydrophobicContact CB-CG2 4.38Å; A377-V379 PolarHBondContact O-N 3.46Å; A377-I411 CarbonylContact O-C 3.29Å; A377-I411 WeakPolarHBondContact O-CA 3.17Å; A377-K412 CarbonylContact C-O 3.51Å; A377-K412 CarbonylContact O-C 3.49Å; A377-K412 PolarHBondContact O-N 3.1Å; A377-A421 HydrophobicContact CB-CB 4.15Å
378G96Very high94.7Very high25 Ų2535.4 Ų35.426%0.25817%0.171SC..  trans715.1-178.100000114.9V373 E374 K412V373-G378 PolarHBondContact O-N 2.9Å; E374-G378 WeakPolarHBondContact O-CA 3.42Å; E374-G378 PolarHBondContact O-N 3.34Å; G378-K412 PolarHBondContact N-O 3.36Å
379V95.5Very high94.5Very high0 Ų037.3 Ų37.30%018%0.184CC..  trans-89128.2-176.1174.60000109.6L340 V373 A377 A406 I411 W423L340-V379 HydrophobicContact CD2-CB 4.3Å; L340-V379 HydrophobicContact CD2-CG2 4.12Å; V373-V379 HydrophobicContact CG1-CB 3.93Å; V373-V379 HydrophobicContact CG1-CG1 4.29Å; V373-V379 WeakPolarHBondContact CG1-O 3.47Å; A377-V379 HydrophobicContact CB-CG2 4.38Å; A377-V379 PolarHBondContact O-N 3.46Å; V379-A406 HydrophobicContact CG1-CB 3.64Å; V379-I411 HydrophobicContact CG2-CG1 3.97Å; V379-W423 HydrophobicContact CG1-CH2 4.11Å; V379-W423 HydrophobicContact CG1-CZ2 3.91Å; V379-W423 HydrophobicContact CG2-CZ2 3.98Å
380K87.6Confident94.4Very high113 Ų11337.4 Ų37.449%0.49118%0.184SC..  trans-83.5135.9177.6-65.7-175.6178.2-179.20110.5E374 A406 V407 S408E374-K380 VanDerWaalsContact OE1-CE 3.26Å; E374-K380 WeakPolarHBondContact OE1-CE 3.41Å; K380-A406 CarbonylContact O-C 3.5Å; K380-A406 VanDerWaalsContact O-CA 3.31Å; K380-A406 WeakPolarHBondContact O-CA 3.14Å; K380-V407 HydrophobicContact CB-CG2 3.74Å; K380-V407 WeakPolarHBondContact O-CG2 3.25Å; K380-V407 PolarHBondContact O-N 2.86Å; K380-S408 PolarHBondContact N-OG 3.41Å
381V92.2Very high94.3Very high14 Ų1435.6 Ų35.69%0.08518%0.182CC..EExtended strand (participates in β ladder)trans-114.5135.7-179.41710000110.8V331 R370 V373 V384 A404V331-V381 HydrophobicContact CG1-CG2 4.17Å; R370-V381 HydrophobicContact CG-CB 4Å; R370-V381 HydrophobicContact CG-CG1 4.02Å; V373-V381 HydrophobicContact CB-CG2 3.9Å; V373-V381 HydrophobicContact CG1-CG2 3.7Å; V373-V381 HydrophobicContact CG2-CG2 4.15Å; V381-V384 HydrophobicContact CG1-CG2 3.82Å; V381-A404 HydrophobicContact CG1-CB 3.71Å; V381-A404 HydrophobicContact CG2-CB 4.38Å
382G85.6Confident94.3Very high25 Ų2536.1 Ų36.126%0.25819%0.185SC..EExtended strand (participates in β ladder)trans-96.2-94.717300000111.8R370 V405R370-G382 PolarHBondContact NE-O 3.12Å; R370-G382 PolarHBondContact NH2-O 3.42Å; G382-V405 PolarHBondContact N-O 3.11Å
383H84.8Confident94.2Very high40 Ų4035.4 Ų35.419%0.18518%0.181CC..EExtended strand (participates in β ladder)trans-70.7138.2-177.7-174.680.8000111.6P107 L110 A404 V405P107-H383 HydrophobicContact CG-CB 4.14Å; L110-H383 WeakPolarHBondContact CD1-CD2 3.23Å; L110-H383 VanDerWaalsContact CD1-NE2 3.33Å; L110-H383 WeakPolarHBondContact CD1-NE2 3.33Å; H383-A404 CarbonylContact O-C 3.56Å; H383-A404 WeakPolarHBondContact O-CA 3.41Å; H383-V405 HydrophobicContact CB-CB 4.41Å; H383-V405 HydrophobicContact CB-CG2 4.45Å; H383-V405 PolarHBondContact O-N 2.9Å
384V94.1Very high94.1Very high11 Ų1138.2 Ų38.27%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-129.8132.4174.4-1790000108E366 V369 R370 V381 C402 L403E366-V384 HydrophobicContact CB-CB 4.01Å; E366-V384 HydrophobicContact CB-CG1 4.34Å; E366-V384 HydrophobicContact CB-CG2 4.32Å; E366-V384 HydrophobicContact CG-CB 3.82Å; E366-V384 HydrophobicContact CG-CG1 4.04Å; V369-V384 HydrophobicContact CB-CG1 4.01Å; V369-V384 HydrophobicContact CB-CG2 4.1Å; V369-V384 HydrophobicContact CG1-CB 4.48Å; V369-V384 HydrophobicContact CG1-CG1 3.93Å; V369-V384 HydrophobicContact CG1-CG2 3.67Å; V369-V384 HydrophobicContact CG2-CG1 4.02Å; R370-V384 HydrophobicContact CG-CG2 4.32Å; V381-V384 HydrophobicContact CG1-CG2 3.82Å; V384-C402 HydrophobicContact CG1-CB 3.93Å; V384-L403 CarbonylContact C-O 3.59Å; V384-L403 WeakPolarHBondContact CA-O 3.3Å
385Q91.5Very high93.9Very high53 Ų5335.2 Ų35.225%0.24818%0.184CC..EExtended strand (participates in β ladder)trans-128.8120.2-178173.96470.200109.1L110 C402 L403L110-Q385 HydrophobicContact CD1-CB 4.35Å; Q385-C402 CarbonylContact O-C 3.54Å; Q385-C402 VanDerWaalsContact O-CA 3.23Å; Q385-C402 WeakPolarHBondContact O-CA 3.34Å; Q385-L403 HydrophobicContact CB-CB 4.41Å; Q385-L403 PolarHBondContact N-O 3.5Å; Q385-L403 PolarHBondContact O-N 2.97Å
386Y93.9Very high93.9Very high118 Ų11831.9 Ų31.946%0.46317%0.17SC..EExtended strand (participates in β ladder)trans-60.7140.7168.3167.2-101.1000111.4C388 I400Y386-C388 WeakPolarHBondContact OH-CA 3.19Å; Y386-I400 HydrophobicContact CD2-CG2 4.1Å; Y386-I400 HydrophobicContact CE2-CG2 4.42Å
387V91.5Very high93.9Very high20 Ų2032.2 Ų32.212%0.12117%0.173CC..EExtended strand (participates in β ladder)trans-118.3-59.8176.1-176.60000111Y117 G401 L403 L453Y117-V387 HydrophobicContact CD2-CG1 4.07Å; Y117-V387 HydrophobicContact CE2-CG1 4.13Å; V387-G401 PolarHBondContact N-O 3.36Å; V387-L403 HydrophobicContact CG2-CB 4.5Å; V387-L403 HydrophobicContact CG2-CD1 4.32Å; V387-L403 HydrophobicContact CG2-CD2 4.39Å; V387-L403 HydrophobicContact CG2-CG 3.68Å; V387-L453 HydrophobicContact CB-CD2 3.9Å; V387-L453 HydrophobicContact CG1-CD2 4.14Å; V387-L453 HydrophobicContact CG2-CD2 3.98Å
388C92.7Very high93.9Very high3 Ų334.9 Ų34.92%0.0219%0.187CC..EExtended strand (participates in β ladder)trans-162.8167.9-170.460.40000111.8Y117 N119 Y386 G401Y117-C388 HydrophobicContact CD2-CB 4.47Å; N119-C388 WeakPolarHBondContact ND2-CB 3.5Å; N119-C388 PolarHBondContact ND2-SG 2.95Å; Y386-C388 WeakPolarHBondContact OH-CA 3.19Å; C388-G401 PolarHBondContact N-O 3.4Å; C388-G401 WeakPolarHBondContact O-CA 3.34Å; C388-G401 PolarHBondContact O-N 3.03Å
389C94.7Very high94Very high39 Ų3934.7 Ų34.726%0.26418%0.18SC..EExtended strand (participates in β ladder)trans-121.4151.2176.4-78.80000111.7N119 L398 M399N119-C389 WeakPolarHBondContact CB-O 3.46Å; N119-C389 PolarHBondContact ND2-O 2.82Å; C389-L398 HydrophobicContact CB-CD1 4.09Å; C389-M399 CarbonylContact C-O 3.55Å; C389-M399 WeakPolarHBondContact CA-O 3.35Å
390Q96.5Very high94.1Very high2 Ų235.3 Ų35.31%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-137.3117.7171.9168.2162.772.600109.5N119 Y120 W392 M399 R447 I449N119-Q390 HydrophobicContact CB-CB 3.9Å; N119-Q390 HydrophobicContact CB-CG 4.47Å; Y120-Q390 WeakPolarHBondContact O-CG 3.41Å; Y120-Q390 PolarHBondContact O-NE2 2.75Å; Q390-W392 PolarHBondContact O-N 2.99Å; Q390-M399 HydrophobicContact CB-CB 4.26Å; Q390-M399 PolarHBondContact N-O 3Å; Q390-M399 VanDerWaalsContact O-CB 3.26Å; Q390-M399 WeakPolarHBondContact O-CB 3.31Å; Q390-M399 WeakPolarHBondContact O-CG 3.46Å; Q390-M399 PolarHBondContact O-N 3.08Å; Q390-R447 PolarHBondContact NE2-O 2.88Å; Q390-I449 HydrophobicContact CB-CB 3.89Å; Q390-I449 HydrophobicContact CB-CD1 3.87Å; Q390-I449 HydrophobicContact CB-CG1 4.37Å; Q390-I449 HydrophobicContact CB-CG2 4.31Å; Q390-I449 HydrophobicContact CG-CB 4.48Å; Q390-I449 VanDerWaalsContact OE1-CB 3.28Å
391P97.1Very high94.6Very high39 Ų3930 Ų3025%0.25316%0.16SC..EExtended strand (participates in β ladder)trans-59.3135.1166.5-2234.3000110F121 A271F121-P391 HydrophobicContact CB-CB 4.12Å; F121-P391 HydrophobicContact CB-CG 4.48Å; F121-P391 VanDerWaalsContact CB-O 3.24Å; F121-P391 WeakPolarHBondContact CB-O 3.28Å; F121-P391 WeakPolarHBondContact CD2-O 3.32Å; A271-P391 HydrophobicContact CB-CB 4.41Å
392W97.4Very high94.9Very high52 Ų5229.3 Ų29.320%0.19716%0.156CC..EExtended strand (participates in β ladder)trans-12896.6178.3-167.9-109.8000109.1F121 M256 L260 Q390 M394 S397 M399F121-W392 HydrophobicContact CD2-CE3 4.01Å; F121-W392 HydrophobicContact CD2-CZ3 4.25Å; F121-W392 AromaticContact CE2-CE3 3.77Å; F121-W392 HydrophobicContact CE2-CE3 3.77Å; F121-W392 AromaticContact CE2-CZ3 3.69Å; F121-W392 HydrophobicContact CE2-CZ3 3.69Å; M256-W392 HydrophobicContact CE-CH2 3.87Å; M256-W392 HydrophobicContact CE-CZ2 4.14Å; M256-W392 HydrophobicContact CG-CZ2 4.32Å; M256-W392 HydrophobicContact SD-CH2 3.4Å; M256-W392 WeakPolarHBondContact SD-CH2 3.34Å; M256-W392 HydrophobicContact SD-CZ2 3.5Å; M256-W392 VanDerWaalsContact SD-CZ2 3.5Å; L260-W392 HydrophobicContact CD1-CH2 4.49Å; L260-W392 HydrophobicContact CD2-CH2 4.35Å; L260-W392 HydrophobicContact CD2-CZ3 4.11Å; Q390-W392 PolarHBondContact O-N 2.99Å; W392-M394 PolarHBondContact O-N 3.31Å; W392-S397 PolarHBondContact N-O 3.4Å; W392-S397 PolarHBondContact O-N 3.34Å; W392-M399 HydrophobicContact CB-CG 3.66Å; W392-M399 HydrophobicContact CB-SD 3.97Å; W392-M399 HydrophobicContact CG-CG 4.36Å; W392-M399 HydrophobicContact CG-SD 4.37Å
393P96.9Very high95.4Very high1 Ų128.2 Ų28.21%0.00614%0.144CC..THydrogen-bonded Turntrans-80.254.9-167.735.3-39000111F121 L259 A271 R274 S275 P395F121-P393 HydrophobicContact CZ-CG 4.44Å; L259-P393 HydrophobicContact CD1-CG 4.27Å; A271-P393 HydrophobicContact CB-CB 4.11Å; A271-P393 HydrophobicContact CB-CG 3.93Å; R274-P393 HydrophobicContact CB-CB 4.29Å; R274-P393 PolarHBondContact NH1-O 2.98Å; S275-P393 WeakPolarHBondContact OG-CB 3.43Å; P393-P395 CarbonylContact C-O 3.54Å; P393-P395 WeakPolarHBondContact CA-O 3.3Å
394M95.8Very high95.8Very high59 Ų5926.3 Ų26.329%0.29114%0.135SC..THydrogen-bonded Turntrans-133.661.1-175.6-61.3-65.8-116.100113.5P255 M256 R274 W392P255-M394 VanDerWaalsContact C-CE 3.47Å; P255-M394 HydrophobicContact CB-CE 3.43Å; P255-M394 VanDerWaalsContact CB-CE 3.43Å; P255-M394 HydrophobicContact CB-SD 3.79Å; P255-M394 HydrophobicContact CG-CE 3.73Å; P255-M394 HydrophobicContact CG-SD 4.06Å; M256-M394 HydrophobicContact CB-CE 3.52Å; R274-M394 PolarHBondContact NH1-SD 3.12Å; W392-M394 PolarHBondContact O-N 3.31Å
395P94.4Very high95.7Very high32 Ų3226.7 Ų26.721%0.20814%0.138CC..THydrogen-bonded Turncis-90.4-28.6-0.331.8-31.6000114.4S275 A278 P393S275-P395 WeakPolarHBondContact CA-O 3.49Å; S275-P395 PolarHBondContact OG-O 3.41Å; A278-P395 HydrophobicContact CB-CB 3.71Å; P393-P395 CarbonylContact C-O 3.54Å; P393-P395 WeakPolarHBondContact CA-O 3.3Å
396S97.3Very high95.6Very high15 Ų1524.3 Ų24.311%0.10513%0.127CC..THydrogen-bonded Turntrans-152.838.1-164.447.40000113.7R322 V323 D324R322-S396 WeakPolarHBondContact O-CB 3.2Å; V323-S396 CarbonylContact C-O 3.48Å; V323-S396 WeakPolarHBondContact CA-O 3.49Å; D324-S396 PolarHBondContact N-O 3.03Å; D324-S396 PolarHBondContact OD2-OG 3.08Å
397S98.3Very high95Very high16 Ų1622.9 Ų22.911%0.11213%0.13CC..EExtended strand (participates in β ladder)trans-88.9146.6-177.2-59.10000112.2D324 W392D324-S397 CarbonylContact O-C 3.51Å; D324-S397 VanDerWaalsContact O-CA 3.25Å; D324-S397 WeakPolarHBondContact O-CA 3.43Å; W392-S397 PolarHBondContact N-O 3.4Å; W392-S397 PolarHBondContact O-N 3.34Å
398L98.4Very high94.5Very high56 Ų5623.4 Ų23.429%0.29314%0.135SC..EExtended strand (participates in β ladder)trans-111106.9165.4177.663000107.9V323 D324 V326 C389 I400V323-L398 HydrophobicContact CG1-CB 3.78Å; D324-L398 PolarHBondContact O-N 3.39Å; V326-L398 PolarHBondContact N-O 3.01Å; C389-L398 HydrophobicContact CB-CD1 4.09Å; L398-I400 HydrophobicContact CG-CG1 4.37Å; L398-I400 PolarHBondContact O-N 3.22Å
399M98.1Very high94.3Very high21 Ų2126.5 Ų26.510%0.10315%0.153CC..EExtended strand (participates in β ladder)trans-76122.8177.2-48.7-59.7-62.200109V326 I328 A356 C389 Q390 W392 I449V326-M399 HydrophobicContact CB-CE 4.22Å; V326-M399 HydrophobicContact CB-SD 3.88Å; V326-M399 HydrophobicContact CG1-CE 3.55Å; V326-M399 HydrophobicContact CG1-SD 3.82Å; V326-M399 HydrophobicContact CG2-SD 4.46Å; V326-M399 CarbonylContact O-C 3.55Å; V326-M399 WeakPolarHBondContact O-CA 3.29Å; I328-M399 HydrophobicContact CB-CE 4.08Å; I328-M399 HydrophobicContact CD1-CE 4.23Å; I328-M399 HydrophobicContact CG2-CB 4.18Å; I328-M399 HydrophobicContact CG2-CE 4.15Å; A356-M399 HydrophobicContact CB-CE 4.44Å; C389-M399 CarbonylContact C-O 3.55Å; C389-M399 WeakPolarHBondContact CA-O 3.35Å; Q390-M399 HydrophobicContact CB-CB 4.26Å; Q390-M399 PolarHBondContact N-O 3Å; Q390-M399 VanDerWaalsContact O-CB 3.26Å; Q390-M399 WeakPolarHBondContact O-CB 3.31Å; Q390-M399 WeakPolarHBondContact O-CG 3.46Å; Q390-M399 PolarHBondContact O-N 3.08Å; W392-M399 HydrophobicContact CB-CG 3.66Å; W392-M399 HydrophobicContact CB-SD 3.97Å; W392-M399 HydrophobicContact CG-CG 4.36Å; W392-M399 HydrophobicContact CG-SD 4.37Å; M399-I449 HydrophobicContact CB-CD1 4.19Å; M399-I449 HydrophobicContact CB-CG2 3.97Å; M399-I449 HydrophobicContact CG-CG2 4.33Å
400I98.3Very high94.3Very high13 Ų1332.4 Ų32.47%0.06718%0.177CC..EExtended strand (participates in β ladder)trans-109.5102.1-179.4-58.4169.6000106.7P325 V326 V327 I328 I365 Y386 L398P325-I400 HydrophobicContact CB-CD1 4.02Å; V326-I400 PolarHBondContact O-N 3.32Å; V327-I400 WeakPolarHBondContact CA-O 3.49Å; I328-I400 PolarHBondContact N-O 2.94Å; I365-I400 HydrophobicContact CD1-CD1 4.23Å; I365-I400 HydrophobicContact CD1-CG2 4.01Å; I365-I400 HydrophobicContact CG1-CD1 4.19Å; I365-I400 HydrophobicContact CG1-CG2 4.32Å; I365-I400 HydrophobicContact CG2-CG2 3.95Å; Y386-I400 HydrophobicContact CD2-CG2 4.1Å; Y386-I400 HydrophobicContact CE2-CG2 4.42Å; L398-I400 HydrophobicContact CG-CG1 4.37Å; L398-I400 PolarHBondContact O-N 3.22Å
401G97.8Very high94.4Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-80.8125.2-175.700000112.5I328 V387 C388I328-G401 CarbonylContact O-C 3.2Å; I328-G401 VanDerWaalsContact O-CA 3.31Å; I328-G401 WeakPolarHBondContact O-CA 3.23Å; V387-G401 PolarHBondContact N-O 3.36Å; C388-G401 PolarHBondContact N-O 3.4Å; C388-G401 WeakPolarHBondContact O-CA 3.34Å; C388-G401 PolarHBondContact O-N 3.03Å
402C97.4Very high94.4Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-126.4149.9-179.2-63.30000112.3I328 M329 Q330 V369 V384 Q385I328-C402 PolarHBondContact O-N 3.07Å; M329-C402 CarbonylContact C-O 3.56Å; M329-C402 WeakPolarHBondContact CA-O 3.3Å; M329-C402 HydrophobicContact CB-CB 4.43Å; Q330-C402 PolarHBondContact N-O 3.3Å; V369-C402 HydrophobicContact CG2-CB 4.04Å; V384-C402 HydrophobicContact CG1-CB 3.93Å; Q385-C402 CarbonylContact O-C 3.54Å; Q385-C402 VanDerWaalsContact O-CA 3.23Å; Q385-C402 WeakPolarHBondContact O-CA 3.34Å
403L96Very high94.4Very high3 Ų340.5 Ų40.52%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-93135.7156.1-62.3179.8000108.4L110 Q330 V384 Q385 V387 M460L110-L403 HydrophobicContact CD2-CB 4.47Å; L110-L403 HydrophobicContact CD2-CD1 3.78Å; Q330-L403 HydrophobicContact CB-CD2 3.81Å; Q330-L403 HydrophobicContact CG-CD2 4.04Å; V384-L403 CarbonylContact C-O 3.59Å; V384-L403 WeakPolarHBondContact CA-O 3.3Å; Q385-L403 HydrophobicContact CB-CB 4.41Å; Q385-L403 PolarHBondContact N-O 3.5Å; Q385-L403 PolarHBondContact O-N 2.97Å; V387-L403 HydrophobicContact CG2-CB 4.5Å; V387-L403 HydrophobicContact CG2-CD1 4.32Å; V387-L403 HydrophobicContact CG2-CD2 4.39Å; V387-L403 HydrophobicContact CG2-CG 3.68Å; L403-M460 HydrophobicContact CD1-CE 3.76Å; L403-M460 HydrophobicContact CD1-SD 3.52Å; L403-M460 VanDerWaalsContact CD1-SD 3.52Å
404A94.7Very high94.3Very high0 Ų043.1 Ų43.10%023%0.229CC..EExtended strand (participates in β ladder)trans-126.1143.6178.100000109.6M329 Q330 V331 I332 V369 V381 H383M329-A404 HydrophobicContact CB-CB 4.36Å; Q330-A404 PolarHBondContact O-N 3.37Å; V331-A404 CarbonylContact C-O 3.58Å; V331-A404 WeakPolarHBondContact CA-O 3.36Å; V331-A404 HydrophobicContact CB-CB 4.46Å; V331-A404 HydrophobicContact CG2-CB 4.13Å; I332-A404 PolarHBondContact N-O 3.36Å; V369-A404 HydrophobicContact CG1-CB 3.86Å; V381-A404 HydrophobicContact CG1-CB 3.71Å; V381-A404 HydrophobicContact CG2-CB 4.38Å; H383-A404 CarbonylContact O-C 3.56Å; H383-A404 WeakPolarHBondContact O-CA 3.41Å
405V91.8Very high94.2Very high19 Ų1946.8 Ų46.812%0.11524%0.243CC..EExtended strand (participates in β ladder)trans-111.7116.7175.8-176.50000109.2P107 F109 G382 H383P107-V405 HydrophobicContact CG-CG2 4.08Å; F109-V405 HydrophobicContact CE2-CG2 4.28Å; F109-V405 HydrophobicContact CZ-CG1 4.37Å; F109-V405 HydrophobicContact CZ-CG2 3.79Å; G382-V405 PolarHBondContact N-O 3.11Å; H383-V405 HydrophobicContact CB-CB 4.41Å; H383-V405 HydrophobicContact CB-CG2 4.45Å; H383-V405 PolarHBondContact O-N 2.9Å
406A87.9Confident94.1Very high2 Ų252.3 Ų52.32%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-67.9147.7176.400000110.9V331 I332 P334 V379 K380 W423V331-A406 HydrophobicContact CG1-CB 3.92Å; I332-A406 WeakPolarHBondContact O-CB 3.31Å; I332-A406 PolarHBondContact O-N 2.85Å; P334-A406 WeakPolarHBondContact CG-O 3.4Å; V379-A406 HydrophobicContact CG1-CB 3.64Å; K380-A406 CarbonylContact O-C 3.5Å; K380-A406 VanDerWaalsContact O-CA 3.31Å; K380-A406 WeakPolarHBondContact O-CA 3.14Å; A406-W423 HydrophobicContact CB-CH2 3.78Å; A406-W423 HydrophobicContact CB-CZ2 4.38Å
407V82.4Confident93.8Very high89 Ų8956 Ų5654%0.53929%0.286SS..SBendtrans-119.7-2.5174.2-61.20000112K380K380-V407 HydrophobicContact CB-CG2 3.74Å; K380-V407 WeakPolarHBondContact O-CG2 3.25Å; K380-V407 PolarHBondContact O-N 2.86Å
408S80.3Confident93.6Very high31 Ų3155.4 Ų55.422%0.21728%0.282CS..  trans-130.3166.1165.671.70000110.3K380K380-S408 PolarHBondContact N-OG 3.41Å
409T88.7Confident93.5Very high67 Ų6756.6 Ų56.641%0.41129%0.286SS..  trans-125.7-19.6-173.760.80000113.6H333 P334 I411 W423H333-T409 WeakPolarHBondContact NE2-CG2 3.16Å; P334-T409 HydrophobicContact CG-CG2 3.9Å; T409-I411 PolarHBondContact O-N 3.34Å; T409-W423 PolarHBondContact O-NE1 2.63Å
410E94.7Very high93.4Very high164 Ų16457.7 Ų57.777%0.76629%0.292SS*.  trans-65.8125.8177.3-66.1168.1-174.100110.1
411I98.3Very high93.4Very high59 Ų5957.3 Ų57.330%0.30329%0.291SS..  trans-99.9128.7177.8-65.9174.4000108.9L340 A377 V379 T409 V413 A421 W423L340-I411 HydrophobicContact CD1-CD1 3.6Å; L340-I411 HydrophobicContact CD1-CG1 4.19Å; A377-I411 CarbonylContact O-C 3.29Å; A377-I411 WeakPolarHBondContact O-CA 3.17Å; V379-I411 HydrophobicContact CG2-CG1 3.97Å; T409-I411 PolarHBondContact O-N 3.34Å; I411-V413 HydrophobicContact CG2-CG2 3.76Å; I411-A421 HydrophobicContact CG2-CB 4.18Å; I411-W423 HydrophobicContact CD1-CG 4.17Å
412K97.4Very high93.4Very high171 Ų17162.3 Ų62.374%0.74331%0.31SS*.  trans-131100.9170.2-177.4-175173.4-169.20108.8A377 G378A377-K412 CarbonylContact C-O 3.51Å; A377-K412 CarbonylContact O-C 3.49Å; A377-K412 PolarHBondContact O-N 3.1Å; G378-K412 PolarHBondContact N-O 3.36Å
413V97.1Very high93.5Very high32 Ų3264.8 Ų64.819%0.19432%0.319CS..  trans-75.7127.1-175.2-174.90000111.3E376 I411 K415 I418 A421E376-V413 WeakPolarHBondContact O-CA 3.28Å; I411-V413 HydrophobicContact CG2-CG2 3.76Å; V413-K415 HydrophobicContact CB-CD 4.44Å; V413-K415 HydrophobicContact CG1-CD 3.96Å; V413-K415 PolarHBondContact O-N 3.29Å; V413-I418 HydrophobicContact CG1-CD1 3.82Å; V413-I418 HydrophobicContact CG1-CG1 3.64Å; V413-I418 WeakPolarHBondContact CG1-O 3.3Å; V413-A421 HydrophobicContact CG2-CB 4.06Å
414D95.1Very high93.5Very high57 Ų5764.9 Ų64.931%0.30532%0.32SS..  trans-77.6108.6162.4-169.2-14.2000110.1E376 N416 E417 I418E376-D414 PolarHBondContact O-N 3.19Å; D414-N416 PolarHBondContact O-N 3.37Å; D414-N416 VanDerWaalsContact OD1-CB 3.29Å; D414-N416 WeakPolarHBondContact OD1-CB 3.15Å; D414-N416 PolarHBondContact OD1-N 2.98Å; D414-N416 PolarHBondContact OD1-ND2 3.5Å; D414-E417 PolarHBondContact O-N 2.79Å; D414-I418 PolarHBondContact O-N 3.39Å
415K93.9Very high93.5Very high136 Ų13666.4 Ų66.459%0.59133%0.329SS*.THydrogen-bonded Turntrans-72.3-9.5-178.5-62.1-60.3-176.5-171.20113.9V413 E417 I418 E419V413-K415 HydrophobicContact CB-CD 4.44Å; V413-K415 HydrophobicContact CG1-CD 3.96Å; V413-K415 PolarHBondContact O-N 3.29Å; K415-E417 VanDerWaalsContact C-N 3.34Å; K415-I418 WeakPolarHBondContact CA-O 3.42Å; K415-E419 PolarHBondContact NZ-O 2.88Å
416N92.5Very high93.4Very high148 Ų14866.7 Ų66.779%0.79133%0.328SS*.THydrogen-bonded Turntrans-72.2-32.5172-61.9-45.9000111.4D414D414-N416 PolarHBondContact O-N 3.37Å; D414-N416 VanDerWaalsContact OD1-CB 3.29Å; D414-N416 WeakPolarHBondContact OD1-CB 3.15Å; D414-N416 PolarHBondContact OD1-N 2.98Å; D414-N416 PolarHBondContact OD1-ND2 3.5Å
417E90.2Very high93.5Very high91 Ų9172.1 Ų72.143%0.42535%0.353SS..THydrogen-bonded Turntrans-104-52.8-174.6-58.9-160.9166.600112.2E376 D414 K415E376-E417 HydrophobicContact CG-CB 4.49Å; E376-E417 VanDerWaalsContact CG-OE2 3.3Å; E376-E417 WeakPolarHBondContact CG-OE2 3.49Å; D414-E417 PolarHBondContact O-N 2.79Å; K415-E417 VanDerWaalsContact C-N 3.34Å
418I95.1Very high93.9Very high4 Ų471.7 Ų71.72%0.02135%0.345CS..  trans-122.6146.1-174.958.4154.9000112.3R343 Q344 L355 E376 V413 D414 K415 A421R343-I418 WeakPolarHBondContact O-CB 3.42Å; Q344-I418 HydrophobicContact CG-CG2 3.95Å; L355-I418 HydrophobicContact CD2-CD1 4.44Å; E376-I418 HydrophobicContact CB-CD1 4.02Å; E376-I418 HydrophobicContact CB-CG1 4.19Å; E376-I418 HydrophobicContact CG-CG2 4.43Å; E376-I418 WeakPolarHBondContact O-CD1 3.47Å; V413-I418 HydrophobicContact CG1-CD1 3.82Å; V413-I418 HydrophobicContact CG1-CG1 3.64Å; V413-I418 WeakPolarHBondContact CG1-O 3.3Å; D414-I418 PolarHBondContact O-N 3.39Å; K415-I418 WeakPolarHBondContact CA-O 3.42Å; I418-A421 HydrophobicContact CD1-CB 3.8Å
419E96Very high94.5Very high81 Ų8170.2 Ų70.238%0.37934%0.335SS..SBendtrans-78.8-37.9-178.8177176.3-147.600111.6R343 K345 K415R343-E419 HydrophobicContact CG-CB 4.45Å; R343-E419 IonicContact CZ-OE2 3.93Å; R343-E419 IonicContact NE-OE2 4Å; R343-E419 PolarHBondContact NE-OE2 3.43Å; R343-E419 IonicContact NH2-OE2 2.85Å; R343-E419 PolarHBondContact NH2-OE2 3.18Å; R343-E419 PolarHBondContact O-N 3.41Å; K345-E419 WeakPolarHBondContact CA-OE2 3.34Å; K345-E419 HydrophobicContact CB-CB 4.39Å; K415-E419 PolarHBondContact NZ-O 2.88Å
420D97.1Very high94.5Very high45 Ų4569.2 Ų69.224%0.24133%0.328CS..EExtended strand (participates in β ladder)trans-158148.7-176.3-168.629.9000111.2G342 R343 F352 R422G342-D420 CarbonylContact C-O 3.57Å; G342-D420 VanDerWaalsContact CA-O 3.23Å; G342-D420 WeakPolarHBondContact CA-O 3.48Å; R343-D420 HydrophobicContact CG-CB 3.9Å; R343-D420 PolarHBondContact N-O 3.16Å; R343-D420 PolarHBondContact O-N 3.19Å; F352-D420 HydrophobicContact CE1-CB 4.26Å; F352-D420 HydrophobicContact CZ-CB 4.21Å; F352-D420 WeakPolarHBondContact CZ-OD2 3.31Å; D420-R422 IonicContact OD2-CZ 3.53Å; D420-R422 IonicContact OD2-NE 3.62Å; D420-R422 PolarHBondContact OD2-NE 2.88Å
421A97.8Very high94.1Very high5 Ų564 Ų644%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-142.1134.8171.700000109.6L340 L341 A377 I411 V413 I418L340-A421 HydrophobicContact CD1-CB 4.41Å; L341-A421 WeakPolarHBondContact O-CA 3.34Å; A377-A421 HydrophobicContact CB-CB 4.15Å; I411-A421 HydrophobicContact CG2-CB 4.18Å; V413-A421 HydrophobicContact CG2-CB 4.06Å; I418-A421 HydrophobicContact CD1-CB 3.8Å
422R97.9Very high93.7Very high105 Ų10561.7 Ų61.740%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-145.2152.5-175.5-68.1-174.5-75.4155.47.6111.9L341 D420 F424L341-R422 PolarHBondContact N-O 3.39Å; L341-R422 VanDerWaalsContact N-O 3.08Å; L341-R422 PolarHBondContact O-N 3.11Å; D420-R422 IonicContact OD2-CZ 3.53Å; D420-R422 IonicContact OD2-NE 3.62Å; D420-R422 PolarHBondContact OD2-NE 2.88Å; R422-F424 HydrophobicContact CB-CD2 4.38Å; R422-F424 HydrophobicContact CB-CE2 3.73Å; R422-F424 HydrophobicContact CB-CZ 4.07Å; R422-F424 WeakPolarHBondContact O-CD2 3.44Å; R422-F424 WeakPolarHBondContact O-CE2 3.28Å
423W97.8Very high93.2Very high52 Ų5255.5 Ų55.520%0.19727%0.267CS..EExtended strand (participates in β ladder)trans-78.1127.9164.9-65.1115.3000109.7V331 H333 H338 C339 L340 V379 A406 T409 I411V331-W423 HydrophobicContact CG1-CH2 4.18Å; H333-W423 HydrophobicContact CB-CD2 4.41Å; H333-W423 HydrophobicContact CB-CE3 3.77Å; H333-W423 HydrophobicContact CB-CH2 4.2Å; H333-W423 HydrophobicContact CB-CZ3 3.65Å; H333-W423 AromaticContact CD2-CD2 3.67Å; H333-W423 AromaticContact CD2-CE2 3.62Å; H333-W423 AromaticContact CD2-CE3 3.93Å; H333-W423 AromaticContact CD2-CZ2 3.87Å; H338-W423 HydrophobicContact CB-CB 4.33Å; H338-W423 HydrophobicContact CB-CE3 4.33Å; C339-W423 VanDerWaalsContact C-CE3 3.42Å; C339-W423 CarbonylContact O-C 3.6Å; C339-W423 WeakPolarHBondContact O-CA 3.4Å; L340-W423 HydrophobicContact CB-CE3 3.91Å; L340-W423 HydrophobicContact CB-CH2 3.95Å; L340-W423 HydrophobicContact CB-CZ3 3.56Å; L340-W423 HydrophobicContact CD1-CD2 4.19Å; L340-W423 HydrophobicContact CD1-CE3 4.34Å; L340-W423 HydrophobicContact CD1-CH2 4.49Å; L340-W423 HydrophobicContact CD1-CZ2 4.36Å; L340-W423 HydrophobicContact CD1-CZ3 4.5Å; V379-W423 HydrophobicContact CG1-CH2 4.11Å; V379-W423 HydrophobicContact CG1-CZ2 3.91Å; V379-W423 HydrophobicContact CG2-CZ2 3.98Å; A406-W423 HydrophobicContact CB-CH2 3.78Å; A406-W423 HydrophobicContact CB-CZ2 4.38Å; T409-W423 PolarHBondContact O-NE1 2.63Å; I411-W423 HydrophobicContact CD1-CG 4.17Å
424F96.6Very high92.5Very high5 Ų560.2 Ų60.22%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-113.6136.2176.1-66.5-93.8000109.5H338 C339 L341 F352 R422 V429 F441H338-F424 CarbonylContact C-O 3.44Å; H338-F424 VanDerWaalsContact CA-O 3.23Å; H338-F424 WeakPolarHBondContact CA-O 3.34Å; C339-F424 PolarHBondContact N-O 2.7Å; C339-F424 PolarHBondContact O-N 2.87Å; L341-F424 HydrophobicContact CB-CD2 3.77Å; L341-F424 HydrophobicContact CB-CE2 3.66Å; L341-F424 HydrophobicContact CD1-CD2 3.82Å; L341-F424 HydrophobicContact CD1-CE2 4.21Å; L341-F424 HydrophobicContact CD1-CG 4.18Å; L341-F424 HydrophobicContact CG-CD2 3.91Å; L341-F424 HydrophobicContact CG-CE2 4.29Å; F352-F424 HydrophobicContact CB-CZ 4.3Å; F352-F424 AromaticContact CD1-CE2 3.77Å; F352-F424 HydrophobicContact CD1-CE2 3.77Å; F352-F424 AromaticContact CD1-CZ 3.63Å; F352-F424 HydrophobicContact CD1-CZ 3.63Å; F352-F424 HydrophobicContact CD2-CZ 4.16Å; F352-F424 HydrophobicContact CE1-CE2 4.25Å; F352-F424 AromaticContact CE1-CZ 3.95Å; F352-F424 HydrophobicContact CE1-CZ 3.95Å; F352-F424 HydrophobicContact CE2-CZ 4.45Å; F352-F424 HydrophobicContact CG-CE2 4.2Å; F352-F424 AromaticContact CG-CZ 3.76Å; F352-F424 HydrophobicContact CG-CZ 3.76Å; F352-F424 HydrophobicContact CZ-CZ 4.36Å; R422-F424 HydrophobicContact CB-CD2 4.38Å; R422-F424 HydrophobicContact CB-CE2 3.73Å; R422-F424 HydrophobicContact CB-CZ 4.07Å; R422-F424 WeakPolarHBondContact O-CD2 3.44Å; R422-F424 WeakPolarHBondContact O-CE2 3.28Å; F424-V429 HydrophobicContact CB-CG2 3.87Å; F424-F441 HydrophobicContact CD1-CD1 4.13Å; F424-F441 HydrophobicContact CD1-CD2 4.36Å; F424-F441 AromaticContact CD1-CE1 3.59Å; F424-F441 HydrophobicContact CD1-CE1 3.59Å; F424-F441 AromaticContact CD1-CE2 3.83Å; F424-F441 HydrophobicContact CD1-CE2 3.83Å; F424-F441 HydrophobicContact CD1-CG 4.48Å; F424-F441 AromaticContact CD1-CZ 3.41Å; F424-F441 HydrophobicContact CD1-CZ 3.41Å; F424-F441 VanDerWaalsContact CD1-CZ 3.41Å; F424-F441 AromaticContact CE1-CD1 3.76Å; F424-F441 HydrophobicContact CE1-CD1 3.76Å; F424-F441 AromaticContact CE1-CD2 3.91Å; F424-F441 HydrophobicContact CE1-CD2 3.91Å; F424-F441 AromaticContact CE1-CE1 3.72Å; F424-F441 HydrophobicContact CE1-CE1 3.72Å; F424-F441 AromaticContact CE1-CE2 3.86Å; F424-F441 HydrophobicContact CE1-CE2 3.86Å; F424-F441 AromaticContact CE1-CG 3.85Å; F424-F441 HydrophobicContact CE1-CG 3.85Å; F424-F441 AromaticContact CE1-CZ 3.76Å; F424-F441 HydrophobicContact CE1-CZ 3.76Å; F424-F441 HydrophobicContact CG-CE2 4.5Å; F424-F441 HydrophobicContact CG-CZ 4.23Å; F424-F441 HydrophobicContact CZ-CD2 4.45Å
425T94.3Very high91.4Very high32 Ų3263 Ų6320%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-71.6153.9177.988.30000109.8H338 E427 Q428 V429H338-T425 WeakPolarHBondContact NE2-CG2 3.4Å; T425-E427 VanDerWaalsContact CB-OE2 3.25Å; T425-E427 WeakPolarHBondContact CB-OE2 3.21Å; T425-E427 PolarHBondContact O-N 3.35Å; T425-E427 PolarHBondContact OG1-N 2.96Å; T425-E427 PolarHBondContact OG1-OE2 2.91Å; T425-Q428 HydrophobicContact CG2-CG 4.38Å; T425-Q428 WeakPolarHBondContact O-CB 3.15Å; T425-Q428 PolarHBondContact O-N 3.21Å; T425-Q428 WeakPolarHBondContact OG1-CG 3.39Å; T425-Q428 PolarHBondContact OG1-N 3.04Å; T425-Q428 VanDerWaalsContact OG1-N 3.11Å; T425-V429 WeakPolarHBondContact O-CG2 3.31Å; T425-V429 PolarHBondContact O-N 3.46Å; T425-V429 VanDerWaalsContact O-N 3.13Å
426R89.5Confident89.9Confident24 Ų2457.9 Ų57.99%0.09129%0.286CS..Hα-helixtrans-54.7-41.2173.9-174.5176.6-67.5-89.7-7.5111.9G336 N337 V429 V430 W457 I458 M460G336-R426 PolarHBondContact O-NH2 3.23Å; N337-R426 WeakPolarHBondContact O-CB 3.24Å; N337-R426 PolarHBondContact O-N 2.86Å; R426-V429 PolarHBondContact O-N 2.91Å; R426-V430 HydrophobicContact CG-CG2 4.33Å; R426-V430 WeakPolarHBondContact O-CB 3.31Å; R426-V430 VanDerWaalsContact O-CG2 3.25Å; R426-V430 WeakPolarHBondContact O-CG2 3.26Å; R426-V430 PolarHBondContact O-N 3.42Å; R426-W457 VanDerWaalsContact CA-CH2 3.49Å; R426-W457 HydrophobicContact CB-CH2 3.83Å; R426-W457 HydrophobicContact CB-CZ2 4.23Å; R426-W457 HydrophobicContact CG-CH2 4.3Å; R426-W457 PolarHBondContact NH1-O 2.85Å; R426-W457 VanDerWaalsContact NH2-NE1 3.15Å; R426-I458 VanDerWaalsContact NH1-C 3.28Å; R426-I458 VanDerWaalsContact NH1-CA 3.27Å; R426-I458 PolarHBondContact NH1-O 3.24Å; R426-M460 PolarHBondContact NH1-O 3.48Å
427E90.1Very high88.4Confident116 Ų11656.6 Ų56.654%0.54228%0.279SS..Hα-helixtrans-62.4-46.4178.5-58.469.8-148.800111.2T425 V429 V430 E431T425-E427 VanDerWaalsContact CB-OE2 3.25Å; T425-E427 WeakPolarHBondContact CB-OE2 3.21Å; T425-E427 PolarHBondContact O-N 3.35Å; T425-E427 PolarHBondContact OG1-N 2.96Å; T425-E427 PolarHBondContact OG1-OE2 2.91Å; E427-V429 VanDerWaalsContact C-N 3.28Å; E427-V429 PolarHBondContact O-N 3.22Å; E427-V430 PolarHBondContact O-N 3.5Å; E427-E431 WeakPolarHBondContact O-CB 3.19Å; E427-E431 VanDerWaalsContact O-CG 3.32Å; E427-E431 WeakPolarHBondContact O-CG 3.3Å; E427-E431 PolarHBondContact O-N 3.36Å
428Q92.3Very high86.7Confident81 Ų8160.9 Ų60.938%0.37930%0.299SS..Hα-helixtrans-57.2-44.2177.5-71.7174.3-32.100111.4T425 V432 F441T425-Q428 HydrophobicContact CG2-CG 4.38Å; T425-Q428 WeakPolarHBondContact O-CB 3.15Å; T425-Q428 PolarHBondContact O-N 3.21Å; T425-Q428 WeakPolarHBondContact OG1-CG 3.39Å; T425-Q428 PolarHBondContact OG1-N 3.04Å; T425-Q428 VanDerWaalsContact OG1-N 3.11Å; Q428-V432 WeakPolarHBondContact O-CG2 3.45Å; Q428-V432 PolarHBondContact O-N 3.35Å; Q428-V432 VanDerWaalsContact O-N 3.09Å; Q428-F441 HydrophobicContact CB-CE1 4.29Å; Q428-F441 HydrophobicContact CB-CZ 4.46Å
429V92.3Very high85.3Confident0 Ų066.2 Ų66.20%032%0.319CS..Hα-helixtrans-70.7-43-179.1175.90000111.9F424 T425 R426 E427 E431 V432 I433 I454 W457 I458F424-V429 HydrophobicContact CB-CG2 3.87Å; T425-V429 WeakPolarHBondContact O-CG2 3.31Å; T425-V429 PolarHBondContact O-N 3.46Å; T425-V429 VanDerWaalsContact O-N 3.13Å; R426-V429 PolarHBondContact O-N 2.91Å; E427-V429 VanDerWaalsContact C-N 3.28Å; E427-V429 PolarHBondContact O-N 3.22Å; V429-E431 VanDerWaalsContact C-N 3.29Å; V429-E431 PolarHBondContact O-N 2.97Å; V429-V432 PolarHBondContact O-N 3.21Å; V429-I433 HydrophobicContact CG1-CD1 4.1Å; V429-I433 PolarHBondContact O-N 3.47Å; V429-I454 HydrophobicContact CG1-CG2 3.21Å; V429-W457 HydrophobicContact CB-CZ3 3.9Å; V429-W457 HydrophobicContact CG1-CE3 4.4Å; V429-W457 HydrophobicContact CG1-CZ3 3.99Å; V429-W457 HydrophobicContact CG2-CZ3 3.9Å; V429-I458 HydrophobicContact CB-CG2 4.27Å; V429-I458 HydrophobicContact CG1-CG2 3.68Å
430V88.9Confident84.4Confident45 Ų4567.6 Ų67.627%0.27334%0.337SS..Hα-helixtrans-58.6-44.1174.81670000110.5R426 E427 V432 I433 I434 I458R426-V430 HydrophobicContact CG-CG2 4.33Å; R426-V430 WeakPolarHBondContact O-CB 3.31Å; R426-V430 VanDerWaalsContact O-CG2 3.25Å; R426-V430 WeakPolarHBondContact O-CG2 3.26Å; R426-V430 PolarHBondContact O-N 3.42Å; E427-V430 PolarHBondContact O-N 3.5Å; V430-V432 PolarHBondContact O-N 3.08Å; V430-I433 PolarHBondContact O-N 3.39Å; V430-I434 HydrophobicContact CG1-CD1 3.62Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3Å; V430-I458 HydrophobicContact CG2-CB 3.89Å; V430-I458 HydrophobicContact CG2-CD1 4.2Å; V430-I458 HydrophobicContact CG2-CG2 3.85Å
431E87.1Confident84.1Confident56 Ų5665.8 Ų65.826%0.26233%0.327SS..Hα-helixtrans-63.7-40.8177.9-73.2-169.8109.600112.4E427 V429 I434 K435 R439E427-E431 WeakPolarHBondContact O-CB 3.19Å; E427-E431 VanDerWaalsContact O-CG 3.32Å; E427-E431 WeakPolarHBondContact O-CG 3.3Å; E427-E431 PolarHBondContact O-N 3.36Å; V429-E431 VanDerWaalsContact C-N 3.29Å; V429-E431 PolarHBondContact O-N 2.97Å; E431-I434 PolarHBondContact O-N 3.48Å; E431-K435 WeakPolarHBondContact O-CA 3.3Å; E431-K435 VanDerWaalsContact O-CB 3.25Å; E431-K435 WeakPolarHBondContact O-CB 3.37Å; E431-K435 PolarHBondContact O-N 3.04Å; E431-K435 IonicContact OE1-NZ 3.24Å; E431-K435 PolarHBondContact OE1-NZ 3.19Å; E431-R439 IonicContact OE1-CZ 3.74Å; E431-R439 IonicContact OE1-NH1 2.83Å; E431-R439 PolarHBondContact OE1-NH1 3.23Å; E431-R439 IonicContact OE1-NH2 3.73Å; E431-R439 PolarHBondContact OE1-NH2 2.98Å; E431-R439 IonicContact OE2-CZ 2.98Å; E431-R439 IonicContact OE2-NH1 3.34Å; E431-R439 PolarHBondContact OE2-NH1 3.17Å; E431-R439 IonicContact OE2-NH2 2.89Å
432V89.1Confident83.8Confident9 Ų967.7 Ų67.76%0.05534%0.335CS..Hα-helixtrans-63.9-39.9175.9166.90000111.9Q428 V429 V430 G436 F441 V443Q428-V432 WeakPolarHBondContact O-CG2 3.45Å; Q428-V432 PolarHBondContact O-N 3.35Å; Q428-V432 VanDerWaalsContact O-N 3.09Å; V429-V432 PolarHBondContact O-N 3.21Å; V430-V432 PolarHBondContact O-N 3.08Å; V432-G436 PolarHBondContact O-N 2.87Å; V432-F441 HydrophobicContact CB-CZ 4.38Å; V432-F441 HydrophobicContact CG2-CD1 4.14Å; V432-F441 HydrophobicContact CG2-CD2 4.42Å; V432-F441 HydrophobicContact CG2-CE1 3.67Å; V432-F441 HydrophobicContact CG2-CE2 3.99Å; V432-F441 HydrophobicContact CG2-CG 4.5Å; V432-F441 HydrophobicContact CG2-CZ 3.6Å; V432-V443 HydrophobicContact CG1-CG1 4.24Å; V432-V443 HydrophobicContact CG1-CG2 4.15Å
433I85.8Confident83.6Confident42 Ų4263.4 Ų63.422%0.21532%0.32CS..Hα-helixtrans-69.8-38.1179.1-72.3174.4000111.9V429 V430 I454 K455 I458V429-I433 HydrophobicContact CG1-CD1 4.1Å; V429-I433 PolarHBondContact O-N 3.47Å; V430-I433 PolarHBondContact O-N 3.39Å; I433-I454 HydrophobicContact CD1-CG2 3.85Å; I433-K455 HydrophobicContact CD1-CB 4.38Å; I433-I458 HydrophobicContact CD1-CD1 3.78Å; I433-I458 HydrophobicContact CD1-CG1 4.48Å; I433-I458 HydrophobicContact CG2-CD1 4.43Å
434I83.3Confident83.4Confident130 Ų13061.3 Ų61.367%0.66731%0.313SS*.Hα-helixtrans-83.8-45.5-177.2-64.8174.3000112.2V430 E431V430-I434 HydrophobicContact CG1-CD1 3.62Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3Å; E431-I434 PolarHBondContact O-N 3.48Å
435K71.6Confident83.1Confident115 Ų11564.2 Ų64.250%0.533%0.333SS..Hα-helixtrans-94.2-9.6-169.5-60.2177.7179.5169.90113.7E431E431-K435 WeakPolarHBondContact O-CA 3.3Å; E431-K435 VanDerWaalsContact O-CB 3.25Å; E431-K435 WeakPolarHBondContact O-CB 3.37Å; E431-K435 PolarHBondContact O-N 3.04Å; E431-K435 IonicContact OE1-NZ 3.24Å; E431-K435 PolarHBondContact OE1-NZ 3.19Å
436G63Low82.9Confident30 Ų3066 Ų6631%0.30935%0.346SS..  trans73.5-162.4177.600000114.8V432 E438V432-G436 PolarHBondContact O-N 2.87Å; G436-E438 PolarHBondContact O-N 2.92Å
437N60.1Low83Confident121 Ų12168.5 Ų68.565%0.64736%0.356SS*.SBendtrans-70.115.6-164.7-74-5.2000116.8R439 F442N437-R439 PolarHBondContact O-N 3.09Å; N437-R439 VanDerWaalsContact O-N 3.15Å; N437-F442 VanDerWaalsContact OD1-CB 3.24Å; N437-F442 WeakPolarHBondContact OD1-CB 2.91Å
438E54.4Low83.1Confident181 Ų18163.4 Ų63.485%0.84633%0.334SS*.SBendtrans-83.722.8-173.9-66.6-171.5162.900114.4G436G436-E438 PolarHBondContact O-N 2.92Å
439R65.8Low83.3Confident115 Ų11559.8 Ų59.843%0.43432%0.317SS..SBendtrans-142.4176.9-172.3-69.4-164.8177-174.75.3114.8E431 N437 F441E431-R439 IonicContact OE1-CZ 3.74Å; E431-R439 IonicContact OE1-NH1 2.83Å; E431-R439 PolarHBondContact OE1-NH1 3.23Å; E431-R439 IonicContact OE1-NH2 3.73Å; E431-R439 PolarHBondContact OE1-NH2 2.98Å; E431-R439 IonicContact OE2-CZ 2.98Å; E431-R439 IonicContact OE2-NH1 3.34Å; E431-R439 PolarHBondContact OE2-NH1 3.17Å; E431-R439 IonicContact OE2-NH2 2.89Å; N437-R439 PolarHBondContact O-N 3.09Å; N437-R439 VanDerWaalsContact O-N 3.15Å; R439-F441 PolarHBondContact O-N 3.25Å
440S77.5Confident83.4Confident110 Ų11060 Ų6077%0.76932%0.318SS*.SBendtrans-57.2-15.4-17656.70000115.5
441F90.8Very high83.7Confident8 Ų858.9 Ų58.94%0.03531%0.31CS..  trans-153.2161.9170.283-78.2000112.1L341 G350 F352 F424 Q428 V432 R439 V443L341-F441 HydrophobicContact CD1-CE2 4.28Å; G350-F441 CarbonylContact O-C 3.47Å; G350-F441 WeakPolarHBondContact O-CA 3.48Å; G350-F441 VanDerWaalsContact O-CB 3.23Å; G350-F441 WeakPolarHBondContact O-CB 3.14Å; F352-F441 HydrophobicContact CB-CD2 4.2Å; F352-F441 HydrophobicContact CD2-CB 3.93Å; F352-F441 HydrophobicContact CE2-CB 4.48Å; F424-F441 HydrophobicContact CD1-CD1 4.13Å; F424-F441 HydrophobicContact CD1-CD2 4.36Å; F424-F441 AromaticContact CD1-CE1 3.59Å; F424-F441 HydrophobicContact CD1-CE1 3.59Å; F424-F441 AromaticContact CD1-CE2 3.83Å; F424-F441 HydrophobicContact CD1-CE2 3.83Å; F424-F441 HydrophobicContact CD1-CG 4.48Å; F424-F441 AromaticContact CD1-CZ 3.41Å; F424-F441 HydrophobicContact CD1-CZ 3.41Å; F424-F441 VanDerWaalsContact CD1-CZ 3.41Å; F424-F441 AromaticContact CE1-CD1 3.76Å; F424-F441 HydrophobicContact CE1-CD1 3.76Å; F424-F441 AromaticContact CE1-CD2 3.91Å; F424-F441 HydrophobicContact CE1-CD2 3.91Å; F424-F441 AromaticContact CE1-CE1 3.72Å; F424-F441 HydrophobicContact CE1-CE1 3.72Å; F424-F441 AromaticContact CE1-CE2 3.86Å; F424-F441 HydrophobicContact CE1-CE2 3.86Å; F424-F441 AromaticContact CE1-CG 3.85Å; F424-F441 HydrophobicContact CE1-CG 3.85Å; F424-F441 AromaticContact CE1-CZ 3.76Å; F424-F441 HydrophobicContact CE1-CZ 3.76Å; F424-F441 HydrophobicContact CG-CE2 4.5Å; F424-F441 HydrophobicContact CG-CZ 4.23Å; F424-F441 HydrophobicContact CZ-CD2 4.45Å; Q428-F441 HydrophobicContact CB-CE1 4.29Å; Q428-F441 HydrophobicContact CB-CZ 4.46Å; V432-F441 HydrophobicContact CB-CZ 4.38Å; V432-F441 HydrophobicContact CG2-CD1 4.14Å; V432-F441 HydrophobicContact CG2-CD2 4.42Å; V432-F441 HydrophobicContact CG2-CE1 3.67Å; V432-F441 HydrophobicContact CG2-CE2 3.99Å; V432-F441 HydrophobicContact CG2-CG 4.5Å; V432-F441 HydrophobicContact CG2-CZ 3.6Å; R439-F441 PolarHBondContact O-N 3.25Å; F441-V443 HydrophobicContact CE2-CG1 4.25Å
442F92.7Very high84Confident45 Ų4559.1 Ų59.120%0.19731%0.311CS..BIsolated β-bridgetrans-141165.817268.2-86.8000111.4P348 P349 G350 M351 F352 N437P348-F442 HydrophobicContact CB-CZ 3.87Å; P349-F442 WeakPolarHBondContact O-CE1 3.47Å; G350-F442 PolarHBondContact O-N 2.88Å; M351-F442 WeakPolarHBondContact CA-O 3.27Å; M351-F442 HydrophobicContact CB-CD2 4.32Å; M351-F442 HydrophobicContact CB-CE1 4.07Å; M351-F442 HydrophobicContact CB-CE2 3.74Å; M351-F442 HydrophobicContact CB-CZ 3.63Å; M351-F442 HydrophobicContact CG-CD2 4.09Å; M351-F442 HydrophobicContact CG-CE2 3.66Å; M351-F442 HydrophobicContact CG-CZ 4.09Å; M351-F442 HydrophobicContact SD-CE2 3.99Å; F352-F442 PolarHBondContact N-O 2.89Å; N437-F442 VanDerWaalsContact OD1-CB 3.24Å; N437-F442 WeakPolarHBondContact OD1-CB 2.91Å
443V93.4Very high84.2Confident14 Ų1458.7 Ų58.79%0.08531%0.309CS..  trans-112.5164.7-178.8-60.90000111.3L341 F352 V432 F441 I454L341-V443 HydrophobicContact CD1-CG1 4.45Å; F352-V443 WeakPolarHBondContact O-CA 3.47Å; V432-V443 HydrophobicContact CG1-CG1 4.24Å; V432-V443 HydrophobicContact CG1-CG2 4.15Å; F441-V443 HydrophobicContact CE2-CG1 4.25Å; V443-I454 HydrophobicContact CB-CD1 4.1Å; V443-I454 HydrophobicContact CG1-CD1 3.92Å
444P92.8Very high84.6Confident9 Ų956.7 Ų56.76%0.05830%0.299CS..  trans-54160177-29.437.4000114.1M351 F352 A448 A450 H451M351-P444 HydrophobicContact CE-CG 4.22Å; F352-P444 WeakPolarHBondContact O-CD 3.33Å; P444-A448 HydrophobicContact CB-CB 3.82Å; P444-A450 HydrophobicContact CG-CB 4.12Å; P444-H451 PolarHBondContact O-ND1 3.42Å
445P90.6Very high85Confident66 Ų6655.7 Ų55.743%0.42929%0.29SS..  trans-57.2157178.3-23.833.6000113.1L260 R447 A448 H451L260-P445 HydrophobicContact CD1-CG 4.44Å; P445-R447 PolarHBondContact O-N 3.06Å; P445-A448 WeakPolarHBondContact O-CB 3.36Å; P445-A448 PolarHBondContact O-N 3.41Å; P445-H451 VanDerWaalsContact O-CB 3.29Å; P445-H451 WeakPolarHBondContact O-CB 3.29Å
446S90.4Very high85.8Confident69 Ų6952.1 Ų52.148%0.48327%0.274SS..THydrogen-bonded Turntrans-57.1-24.7-175.959.50000114.9A448 Q452S446-A448 VanDerWaalsContact C-N 3.33Å; S446-Q452 PolarHBondContact O-NE2 3.09Å
447R91.3Very high87.1Confident76 Ų7650.7 Ų50.729%0.28726%0.26SS..THydrogen-bonded Turntrans-78.9-12.1177.5-70.3173.1172.2-176-0.6114Y120 L260 Q261 L262 Q390 P445Y120-R447 WeakPolarHBondContact CB-O 3.23Å; Y120-R447 HydrophobicContact CD1-CB 4.36Å; Y120-R447 HydrophobicContact CD2-CB 4.1Å; Y120-R447 HydrophobicContact CD2-CG 3.81Å; Y120-R447 VanDerWaalsContact CE2-CD 3.46Å; Y120-R447 HydrophobicContact CE2-CG 4.14Å; Y120-R447 HydrophobicContact CG-CB 3.96Å; Y120-R447 HydrophobicContact CG-CG 4.2Å; L260-R447 HydrophobicContact CD2-CB 4.13Å; L260-R447 WeakPolarHBondContact O-CD 3.39Å; L260-R447 PolarHBondContact O-NH1 2.86Å; Q261-R447 PolarHBondContact O-NH1 2.91Å; L262-R447 PolarHBondContact O-NH1 3.05Å; Q390-R447 PolarHBondContact NE2-O 2.88Å; P445-R447 PolarHBondContact O-N 3.06Å
448A92.6Very high88.3Confident10 Ų1046.8 Ų46.88%0.08324%0.238CC..SBendtrans-81.7139.8178.300000111.4P444 P445 S446 A450 H451 Q452P444-A448 HydrophobicContact CB-CB 3.82Å; P445-A448 WeakPolarHBondContact O-CB 3.36Å; P445-A448 PolarHBondContact O-N 3.41Å; S446-A448 VanDerWaalsContact C-N 3.33Å; A448-A450 VanDerWaalsContact C-N 3.25Å; A448-A450 PolarHBondContact O-N 3.44Å; A448-H451 WeakPolarHBondContact O-CB 3.33Å; A448-H451 PolarHBondContact O-N 3.03Å; A448-Q452 PolarHBondContact O-N 2.84Å
449I95.1Very high89.4Confident4 Ų441.2 Ų41.22%0.02123%0.23CC..Hα-helixtrans-58.5-35.8179.4-171.8168.8000112.5I328 Q390 M399 H451 Q452 L453I328-I449 HydrophobicContact CD1-CG2 4.05Å; I328-I449 HydrophobicContact CG2-CD1 4.1Å; I328-I449 HydrophobicContact CG2-CG1 4.37Å; I328-I449 HydrophobicContact CG2-CG2 3.86Å; Q390-I449 HydrophobicContact CB-CB 3.89Å; Q390-I449 HydrophobicContact CB-CD1 3.87Å; Q390-I449 HydrophobicContact CB-CG1 4.37Å; Q390-I449 HydrophobicContact CB-CG2 4.31Å; Q390-I449 HydrophobicContact CG-CB 4.48Å; Q390-I449 VanDerWaalsContact OE1-CB 3.28Å; M399-I449 HydrophobicContact CB-CD1 4.19Å; M399-I449 HydrophobicContact CB-CG2 3.97Å; M399-I449 HydrophobicContact CG-CG2 4.33Å; I449-H451 VanDerWaalsContact C-N 3.32Å; I449-H451 PolarHBondContact O-N 2.9Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.09Å; I449-L453 HydrophobicContact CG1-CD1 4.37Å; I449-L453 HydrophobicContact CG1-CG 4.32Å; I449-L453 WeakPolarHBondContact O-CG 3.37Å; I449-L453 PolarHBondContact O-N 3.14Å
450A96.1Very high89.9Confident4 Ų436.5 Ų36.53%0.03321%0.213CC..Hα-helixtrans-55.6-46.3173.700000111.9I328 T353 C354 P444 A448 Q452 L453 I454I328-A450 HydrophobicContact CD1-CB 3.83Å; T353-A450 VanDerWaalsContact OG1-CB 3.23Å; T353-A450 WeakPolarHBondContact OG1-CB 3.19Å; C354-A450 HydrophobicContact CB-CB 4.3Å; P444-A450 HydrophobicContact CG-CB 4.12Å; A448-A450 VanDerWaalsContact C-N 3.25Å; A448-A450 PolarHBondContact O-N 3.44Å; A450-Q452 VanDerWaalsContact C-N 3.32Å; A450-Q452 PolarHBondContact O-N 3.11Å; A450-L453 PolarHBondContact O-N 3.36Å; A450-I454 WeakPolarHBondContact O-CD1 3.34Å; A450-I454 WeakPolarHBondContact O-CG1 3.44Å; A450-I454 PolarHBondContact O-N 3.39Å
451H94.4Very high89Confident23 Ų2337.8 Ų37.811%0.10621%0.211CC..Hα-helixtrans-62.4-41.2176.8-173111.4000111.4P444 P445 A448 I449 I454 K455P444-H451 PolarHBondContact O-ND1 3.42Å; P445-H451 VanDerWaalsContact O-CB 3.29Å; P445-H451 WeakPolarHBondContact O-CB 3.29Å; A448-H451 WeakPolarHBondContact O-CB 3.33Å; A448-H451 PolarHBondContact O-N 3.03Å; I449-H451 VanDerWaalsContact C-N 3.32Å; I449-H451 PolarHBondContact O-N 2.9Å; H451-I454 PolarHBondContact O-N 3.32Å; H451-K455 WeakPolarHBondContact O-CB 3.33Å; H451-K455 PolarHBondContact O-N 2.87Å
452Q92.7Very high87.2Confident60 Ų6038.7 Ų38.728%0.2822%0.22SC..Hα-helixtrans-64.7-40.3178.4-65.5-60.1-36.800112.1S446 A448 I449 A450 K455 H456S446-Q452 PolarHBondContact O-NE2 3.09Å; A448-Q452 PolarHBondContact O-N 2.84Å; I449-Q452 PolarHBondContact O-N 3.04Å; I449-Q452 VanDerWaalsContact O-N 3.09Å; A450-Q452 VanDerWaalsContact C-N 3.32Å; A450-Q452 PolarHBondContact O-N 3.11Å; Q452-K455 PolarHBondContact O-N 3.49Å; Q452-H456 VanDerWaalsContact O-CB 3.24Å; Q452-H456 WeakPolarHBondContact O-CB 3.29Å; Q452-H456 PolarHBondContact O-N 3.15Å
453L94.7Very high84.8Confident0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-65.6-44.8175.8-66.5173.4000112I328 Q330 V387 I449 A450 H456 W457I328-L453 HydrophobicContact CG1-CD1 4.34Å; I328-L453 HydrophobicContact CG2-CD1 4.16Å; I328-L453 WeakPolarHBondContact O-CD1 3.37Å; Q330-L453 HydrophobicContact CB-CB 3.98Å; V387-L453 HydrophobicContact CB-CD2 3.9Å; V387-L453 HydrophobicContact CG1-CD2 4.14Å; V387-L453 HydrophobicContact CG2-CD2 3.98Å; I449-L453 HydrophobicContact CG1-CD1 4.37Å; I449-L453 HydrophobicContact CG1-CG 4.32Å; I449-L453 WeakPolarHBondContact O-CG 3.37Å; I449-L453 PolarHBondContact O-N 3.14Å; A450-L453 PolarHBondContact O-N 3.36Å; L453-H456 PolarHBondContact O-N 2.91Å; L453-W457 PolarHBondContact O-N 3.27Å
454I94.3Very high81.9Confident0 Ų051.7 Ų51.70%029%0.29CS..Hα-helixtrans-60.9-47.7175.9-64.2162000110L341 V429 I433 V443 A450 H451 H456 W457 I458L341-I454 HydrophobicContact CD2-CD1 3.95Å; L341-I454 HydrophobicContact CD2-CG1 4.11Å; V429-I454 HydrophobicContact CG1-CG2 3.21Å; I433-I454 HydrophobicContact CD1-CG2 3.85Å; V443-I454 HydrophobicContact CB-CD1 4.1Å; V443-I454 HydrophobicContact CG1-CD1 3.92Å; A450-I454 WeakPolarHBondContact O-CD1 3.34Å; A450-I454 WeakPolarHBondContact O-CG1 3.44Å; A450-I454 PolarHBondContact O-N 3.39Å; H451-I454 PolarHBondContact O-N 3.32Å; I454-H456 VanDerWaalsContact C-N 3.31Å; I454-H456 PolarHBondContact O-N 3.11Å; I454-W457 PolarHBondContact O-N 2.97Å; I454-I458 PolarHBondContact O-N 3.12Å
455K90.9Very high81.4Confident110 Ų11053.9 Ų53.948%0.47830%0.302SS..Hα-helixtrans-61.7-38.8177.3-174.5-175.9174.2-173.20111.9I433 H451 Q452 I458 G459I433-K455 HydrophobicContact CD1-CB 4.38Å; H451-K455 WeakPolarHBondContact O-CB 3.33Å; H451-K455 PolarHBondContact O-N 2.87Å; Q452-K455 PolarHBondContact O-N 3.49Å; K455-I458 WeakPolarHBondContact O-CG1 3.49Å; K455-G459 PolarHBondContact O-N 3.48Å
456H88.7Confident80.9Confident39 Ų3953.2 Ų53.218%0.18130%0.295CS..Hα-helixtrans-64.3-47.2176.2-177.864000110.4Y117 Q452 L453 I454 I458 G459 M460Y117-H456 AromaticContact CZ-ND1 3.89Å; Y117-H456 PolarHBondContact OH-CE1 3.18Å; Y117-H456 VanDerWaalsContact OH-CE1 3.3Å; Y117-H456 PolarHBondContact OH-ND1 3.48Å; Y117-H456 VanDerWaalsContact OH-ND1 3.17Å; Q452-H456 VanDerWaalsContact O-CB 3.24Å; Q452-H456 WeakPolarHBondContact O-CB 3.29Å; Q452-H456 PolarHBondContact O-N 3.15Å; L453-H456 PolarHBondContact O-N 2.91Å; I454-H456 VanDerWaalsContact C-N 3.31Å; I454-H456 PolarHBondContact O-N 3.11Å; H456-I458 PolarHBondContact O-N 3.35Å; H456-G459 PolarHBondContact O-N 3.24Å; H456-G459 VanDerWaalsContact O-N 3.12Å; H456-M460 WeakPolarHBondContact O-CG 3.49Å; H456-M460 PolarHBondContact O-N 3.38Å
457W89.3Confident80.4Confident1 Ų152.3 Ų52.30%0.00429%0.285CS..Hα-helixtrans-58.2-44.5178.116871.8000113.3Q330 C339 R426 V429 L453 I454 G459 M460Q330-W457 HydrophobicContact CG-CB 3.81Å; Q330-W457 HydrophobicContact CG-CG 4.16Å; C339-W457 HydrophobicContact CB-CD2 4.03Å; C339-W457 HydrophobicContact CB-CE3 3.99Å; C339-W457 HydrophobicContact CB-CH2 3.57Å; C339-W457 HydrophobicContact CB-CZ2 3.63Å; C339-W457 HydrophobicContact CB-CZ3 3.77Å; C339-W457 VanDerWaalsContact SG-CZ3 3.54Å; R426-W457 VanDerWaalsContact CA-CH2 3.49Å; R426-W457 HydrophobicContact CB-CH2 3.83Å; R426-W457 HydrophobicContact CB-CZ2 4.23Å; R426-W457 HydrophobicContact CG-CH2 4.3Å; R426-W457 PolarHBondContact NH1-O 2.85Å; R426-W457 VanDerWaalsContact NH2-NE1 3.15Å; V429-W457 HydrophobicContact CB-CZ3 3.9Å; V429-W457 HydrophobicContact CG1-CE3 4.4Å; V429-W457 HydrophobicContact CG1-CZ3 3.99Å; V429-W457 HydrophobicContact CG2-CZ3 3.9Å; L453-W457 PolarHBondContact O-N 3.27Å; I454-W457 PolarHBondContact O-N 2.97Å; W457-G459 PolarHBondContact O-N 2.97Å; W457-M460 HydrophobicContact CB-SD 4.47Å; W457-M460 WeakPolarHBondContact O-CB 3.01Å; W457-M460 PolarHBondContact O-N 2.73Å
458I86.4Confident79.7Confident38 Ų3850.9 Ų50.920%0.19529%0.285CS..Hα-helixtrans-61.1-28.5178.861164.5000112.8R426 V429 V430 I433 I454 K455 H456R426-I458 VanDerWaalsContact NH1-C 3.28Å; R426-I458 VanDerWaalsContact NH1-CA 3.27Å; R426-I458 PolarHBondContact NH1-O 3.24Å; V429-I458 HydrophobicContact CB-CG2 4.27Å; V429-I458 HydrophobicContact CG1-CG2 3.68Å; V430-I458 HydrophobicContact CG2-CB 3.89Å; V430-I458 HydrophobicContact CG2-CD1 4.2Å; V430-I458 HydrophobicContact CG2-CG2 3.85Å; I433-I458 HydrophobicContact CD1-CD1 3.78Å; I433-I458 HydrophobicContact CD1-CG1 4.48Å; I433-I458 HydrophobicContact CG2-CD1 4.43Å; I454-I458 PolarHBondContact O-N 3.12Å; K455-I458 WeakPolarHBondContact O-CG1 3.49Å; H456-I458 PolarHBondContact O-N 3.35Å
459G77.1Confident78.9Confident65 Ų6553.5 Ų53.567%0.6730%0.297SS*.THydrogen-bonded Turntrans-84.6-6.4178.300000114.6K455 H456 W457K455-G459 PolarHBondContact O-N 3.48Å; H456-G459 PolarHBondContact O-N 3.24Å; H456-G459 VanDerWaalsContact O-N 3.12Å; W457-G459 PolarHBondContact O-N 2.97Å
460M75.6Confident77.9Confident15 Ų1556.8 Ų56.87%0.07432%0.316CS..SBendtrans-75.5146.8174.2-62.1171.16800110.6F109 L110 L403 R426 H456 W457 A462F109-M460 HydrophobicContact CD2-CE 3.98Å; F109-M460 HydrophobicContact CE2-CE 4.46Å; F109-M460 WeakPolarHBondContact O-CE 3.04Å; L110-M460 HydrophobicContact CB-CE 4.48Å; L110-M460 HydrophobicContact CD2-CE 3.3Å; L110-M460 HydrophobicContact CG-CE 4.33Å; L403-M460 HydrophobicContact CD1-CE 3.76Å; L403-M460 HydrophobicContact CD1-SD 3.52Å; L403-M460 VanDerWaalsContact CD1-SD 3.52Å; R426-M460 PolarHBondContact NH1-O 3.48Å; H456-M460 WeakPolarHBondContact O-CG 3.49Å; H456-M460 PolarHBondContact O-N 3.38Å; W457-M460 HydrophobicContact CB-SD 4.47Å; W457-M460 WeakPolarHBondContact O-CB 3.01Å; W457-M460 PolarHBondContact O-N 2.73Å; M460-A462 PolarHBondContact O-N 3.04Å
461N59.4Low76.6Confident137 Ų13760.6 Ų60.673%0.73334%0.336SS*.  trans-59.4112175.5-75.2-18.3000109.6
462A52Low75.2Confident28 Ų2863.5 Ų63.523%0.23135%0.354CS..  trans-63.5136.5160.300000107.6N337 M460 L464N337-A462 VanDerWaalsContact OD1-CB 3.3Å; N337-A462 WeakPolarHBondContact OD1-CB 3.4Å; M460-A462 PolarHBondContact O-N 3.04Å; A462-L464 PolarHBondContact O-N 3.1Å
463N42.8Very low73.7Confident104 Ų10463.8 Ų63.856%0.55636%0.36SS*.  trans-64.594.8162.6-73.7-42.3000106.8
464L33.8Very low71.8Confident228 Ų22869.5 Ų69.5100%1.19439%0.392SS*.  trans-98.10158.3-78.9168.8000108.1A462A462-L464 PolarHBondContact O-N 3.1Å

Retrieved 464 of 464 residues in 93.3 ms (Link to these results)

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