A0A077Z7A3_TRITR Loading...

ribose-5-phosphate isomerase

AlphaFold DB , UniProt , Accession A0A077Z7A3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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
1M38.9Very low77.6Confident240 Ų24099.8 Ų99.8100%1.18254%0.544SS*.  0114.70-66.1171.9-174.500106.8S3M1-S3 PolarHBondContact O-N 2.88Å
2A52.1Low79.2Confident92 Ų9298 Ų9876%0.7653%0.534SS*.  trans-58.1124.8159.800000105.7T4A2-T4 PolarHBondContact O-N 3.49Å
3S59.1Low80.5Confident70 Ų7090.7 Ų90.749%0.4949%0.494SS..  trans-54.2143179.257.10000108.5M1 D5 G6 K7M1-S3 PolarHBondContact O-N 2.88Å; S3-D5 PolarHBondContact O-N 2.61Å; S3-G6 PolarHBondContact O-N 3.12Å; S3-G6 PolarHBondContact OG-N 3.04Å; S3-K7 PolarHBondContact O-N 3.45Å
4T75.9Confident81.8Confident131 Ų13184.9 Ų84.980%0.80446%0.462SS*.Hα-helixtrans-48.8-34.5176.9-36.80000111.3A2 K7 Q8A2-T4 PolarHBondContact O-N 3.49Å; T4-K7 PolarHBondContact O-N 3.33Å; T4-Q8 PolarHBondContact O-N 3.25Å
5D84.1Confident82.8Confident81 Ų8185.3 Ų85.343%0.43346%0.458SS..Hα-helixtrans-57.7-49.3171.9-176.829.6000113.4S3 K7 Q8 R9S3-D5 PolarHBondContact O-N 2.61Å; D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 2.88Å; D5-Q8 PolarHBondContact O-N 3.25Å; D5-R9 WeakPolarHBondContact O-CG 3.41Å; D5-R9 PolarHBondContact O-N 3.25Å; D5-R9 IonicContact OD1-CZ 3.68Å; D5-R9 IonicContact OD1-NE 2.93Å; D5-R9 PolarHBondContact OD1-NE 3.33Å; D5-R9 IonicContact OD1-NH2 3.55Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 3.28Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.68Å; D5-R9 PolarHBondContact OD2-NH2 3.23Å
6G84.8Confident83.7Confident35 Ų3583.7 Ų83.736%0.36145%0.448SS..Hα-helixtrans-63-35.1178.700000113.8S3 L10S3-G6 PolarHBondContact O-N 3.12Å; S3-G6 PolarHBondContact OG-N 3.04Å; G6-L10 PolarHBondContact O-N 3.18Å
7K86.6Confident84.6Confident146 Ų14678.8 Ų78.864%0.63542%0.422SS*.Hα-helixtrans-70.4-41.5174.6-173.1179.7177-175.50111.3S3 T4 D5 L10 E11S3-K7 PolarHBondContact O-N 3.45Å; T4-K7 PolarHBondContact O-N 3.33Å; D5-K7 VanDerWaalsContact C-N 3.32Å; D5-K7 PolarHBondContact O-N 2.88Å; K7-L10 WeakPolarHBondContact O-CB 3.5Å; K7-L10 PolarHBondContact O-N 3.37Å; K7-E11 PolarHBondContact O-N 3.28Å
8Q90.7Very high85.3Confident106 Ų10674.4 Ų74.450%0.49540%0.399SS..Hα-helixtrans-63.2-49.3178.2-174.357.846.800111.4T4 D5 L10 E11 D12T4-Q8 PolarHBondContact O-N 3.25Å; D5-Q8 PolarHBondContact O-N 3.25Å; Q8-L10 PolarHBondContact O-N 2.75Å; Q8-L10 VanDerWaalsContact O-N 3.13Å; Q8-E11 PolarHBondContact O-N 2.93Å; Q8-D12 PolarHBondContact NE2-OD1 3.33Å; Q8-D12 VanDerWaalsContact O-CG 3.31Å; Q8-D12 PolarHBondContact O-N 2.84Å
9R92.6Very high86Confident124 Ų12472.7 Ų72.747%0.46839%0.386SS..Hα-helixtrans-55.4-34.9176.9-69-178.2-161.3-162.35.1112.8D5 A13D5-R9 WeakPolarHBondContact O-CG 3.41Å; D5-R9 PolarHBondContact O-N 3.25Å; D5-R9 IonicContact OD1-CZ 3.68Å; D5-R9 IonicContact OD1-NE 2.93Å; D5-R9 PolarHBondContact OD1-NE 3.33Å; D5-R9 IonicContact OD1-NH2 3.55Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 3.28Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.68Å; D5-R9 PolarHBondContact OD2-NH2 3.23Å; R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 2.93Å
10L93.9Very high86.6Confident30 Ų3072.2 Ų72.216%0.15738%0.382CS..Hα-helixtrans-69.5-41.7177.2178.265.7000112.5G6 K7 Q8 A13 K14 D130 R132G6-L10 PolarHBondContact O-N 3.18Å; K7-L10 WeakPolarHBondContact O-CB 3.5Å; K7-L10 PolarHBondContact O-N 3.37Å; Q8-L10 PolarHBondContact O-N 2.75Å; Q8-L10 VanDerWaalsContact O-N 3.13Å; L10-A13 PolarHBondContact O-N 3.19Å; L10-K14 WeakPolarHBondContact O-CG 2.99Å; L10-K14 PolarHBondContact O-N 2.68Å; L10-K14 VanDerWaalsContact O-N 3.12Å; L10-D130 HydrophobicContact CD1-CB 3.69Å; L10-R132 VanDerWaalsContact CD2-CZ 3.42Å
11E95.3Very high87.2Confident43 Ų4368.7 Ų68.720%0.20136%0.363CS..Hα-helixtrans-68.6-37.6176-67-54.2128.400111.4K7 Q8 A13 K14 K15 Y42K7-E11 PolarHBondContact O-N 3.28Å; Q8-E11 PolarHBondContact O-N 2.93Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 3.33Å; E11-K14 PolarHBondContact O-N 3.01Å; E11-K14 IonicContact OE1-NZ 3.67Å; E11-K14 PolarHBondContact OE1-NZ 3.43Å; E11-K14 IonicContact OE2-NZ 2.82Å; E11-K15 WeakPolarHBondContact O-CB 3.38Å; E11-K15 PolarHBondContact O-N 3.44Å; E11-Y42 WeakPolarHBondContact OE2-CE2 3.07Å; E11-Y42 PolarHBondContact OE2-OH 3.32Å
12D96.1Very high90Very high78 Ų7857.3 Ų57.342%0.41731%0.307SS..Hα-helixtrans-62.4-42.5174.1-63.7-26.6000111.3Q8 K14 K15 L16Q8-D12 PolarHBondContact NE2-OD1 3.33Å; Q8-D12 VanDerWaalsContact O-CG 3.31Å; Q8-D12 PolarHBondContact O-N 2.84Å; D12-K14 PolarHBondContact O-N 3.47Å; D12-K15 PolarHBondContact O-N 3.09Å; D12-L16 WeakPolarHBondContact O-CB 3.36Å; D12-L16 PolarHBondContact O-N 3Å
13A97.1Very high92.2Very high3 Ų356.5 Ų56.53%0.02529%0.29CS..Hα-helixtrans-58.7-47.617400000112R9 L10 E11 K15 L16 A17 G233R9-A13 WeakPolarHBondContact O-CB 3.28Å; R9-A13 PolarHBondContact O-N 2.93Å; L10-A13 PolarHBondContact O-N 3.19Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-A13 PolarHBondContact O-N 3.33Å; A13-K15 VanDerWaalsContact C-N 3.34Å; A13-K15 PolarHBondContact O-N 2.88Å; A13-L16 PolarHBondContact O-N 2.91Å; A13-A17 PolarHBondContact O-N 3.33Å; A13-A17 VanDerWaalsContact O-N 3.08Å; A13-G233 VanDerWaalsContact O-CA 3.28Å; A13-G233 WeakPolarHBondContact O-CA 3.23Å
14K97.5Very high94.1Very high9 Ų958.4 Ų58.44%0.03929%0.291CS..Hα-helixtrans-59.5-45.2176.6-71.1176.7-169170.90111.9L10 E11 D12 A17 A18 S38 T39 Y42 D130L10-K14 WeakPolarHBondContact O-CG 2.99Å; L10-K14 PolarHBondContact O-N 2.68Å; L10-K14 VanDerWaalsContact O-N 3.12Å; E11-K14 PolarHBondContact O-N 3.01Å; E11-K14 IonicContact OE1-NZ 3.67Å; E11-K14 PolarHBondContact OE1-NZ 3.43Å; E11-K14 IonicContact OE2-NZ 2.82Å; D12-K14 PolarHBondContact O-N 3.47Å; K14-A17 PolarHBondContact O-N 2.92Å; K14-A18 PolarHBondContact O-N 2.89Å; K14-A18 VanDerWaalsContact O-N 3.16Å; K14-S38 PolarHBondContact NZ-OG 2.83Å; K14-T39 HydrophobicContact CB-CG2 3.93Å; K14-T39 HydrophobicContact CG-CG2 4.17Å; K14-T39 WeakPolarHBondContact CG-OG1 3.18Å; K14-Y42 HydrophobicContact CB-CD2 3.81Å; K14-Y42 HydrophobicContact CB-CE2 3.78Å; K14-Y42 HydrophobicContact CD-CE2 4.24Å; K14-D130 HydrophobicContact CG-CB 3.97Å
15K97.4Very high95.2Very high92 Ų9253.2 Ų53.240%0.426%0.258SS..Hα-helixtrans-60.9-46.4177.7-174.7179.4179-179.10110.9E11 D12 A13 A17 A18 Y19 Y42E11-K15 WeakPolarHBondContact O-CB 3.38Å; E11-K15 PolarHBondContact O-N 3.44Å; D12-K15 PolarHBondContact O-N 3.09Å; A13-K15 VanDerWaalsContact C-N 3.34Å; A13-K15 PolarHBondContact O-N 2.88Å; K15-A17 PolarHBondContact O-N 3.38Å; K15-A18 PolarHBondContact O-N 3.29Å; K15-Y19 HydrophobicContact CD-CE2 4.18Å; K15-Y19 WeakPolarHBondContact CE-OH 3.47Å; K15-Y19 HydrophobicContact CG-CD2 3.7Å; K15-Y19 HydrophobicContact CG-CE2 3.54Å; K15-Y19 WeakPolarHBondContact O-CD2 3.17Å; K15-Y19 PolarHBondContact O-N 3.09Å; K15-Y42 HydrophobicContact CB-CD1 3.78Å; K15-Y42 HydrophobicContact CB-CE1 4.08Å; K15-Y42 HydrophobicContact CB-CG 4.08Å; K15-Y42 HydrophobicContact CD-CD1 4.4Å; K15-Y42 HydrophobicContact CG-CD1 3.89Å; K15-Y42 HydrophobicContact CG-CE1 4.41Å; K15-Y42 HydrophobicContact CG-CG 4.44Å
16L97.5Very high95.9Very high59 Ų5950 Ų5031%0.30924%0.241SC..Hα-helixtrans-60.2-46.5-179.1-173.770.6000112D12 A13 A18 Y19 E20 G237 V239D12-L16 WeakPolarHBondContact O-CB 3.36Å; D12-L16 PolarHBondContact O-N 3Å; A13-L16 PolarHBondContact O-N 2.91Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.16Å; L16-Y19 PolarHBondContact O-N 3.4Å; L16-E20 WeakPolarHBondContact O-CB 3.42Å; L16-E20 PolarHBondContact O-N 3.08Å; L16-G237 VanDerWaalsContact CD2-C 3.43Å; L16-G237 WeakPolarHBondContact CD2-O 3.1Å; L16-V239 HydrophobicContact CB-CG2 4.35Å; L16-V239 HydrophobicContact CD1-CG2 4.45Å; L16-V239 HydrophobicContact CD2-CG2 3.54Å; L16-V239 HydrophobicContact CG-CG2 3.44Å; L16-V239 VanDerWaalsContact CG-CG2 3.44Å
17A98.4Very high96.5Very high0 Ų054.5 Ų54.50%025%0.253CS..Hα-helixtrans-59.4-42.2176.300000112.5A13 K14 K15 C21A13-A17 PolarHBondContact O-N 3.33Å; A13-A17 VanDerWaalsContact O-N 3.08Å; K14-A17 PolarHBondContact O-N 2.92Å; K15-A17 PolarHBondContact O-N 3.38Å; A17-C21 WeakPolarHBondContact O-CB 3.38Å; A17-C21 PolarHBondContact O-N 3.33Å; A17-C21 VanDerWaalsContact O-N 3.08Å
18A98.2Very high97.1Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-64.3-47.1177.500000112.2K14 K15 L16 C21 V22 V43K14-A18 PolarHBondContact O-N 2.89Å; K14-A18 VanDerWaalsContact O-N 3.16Å; K15-A18 PolarHBondContact O-N 3.29Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.16Å; A18-C21 PolarHBondContact O-N 3.3Å; A18-V22 WeakPolarHBondContact O-CG2 3.34Å; A18-V22 PolarHBondContact O-N 2.85Å; A18-V43 HydrophobicContact CB-CG2 3.75Å
19Y98.1Very high97.4Very high42 Ų4247.5 Ų47.517%0.16524%0.241CC..Hα-helixtrans-66.4-40.7-179.5-84.2-119.2000111.6K15 L16 V22 N23 C46 D49K15-Y19 HydrophobicContact CD-CE2 4.18Å; K15-Y19 WeakPolarHBondContact CE-OH 3.47Å; K15-Y19 HydrophobicContact CG-CD2 3.7Å; K15-Y19 HydrophobicContact CG-CE2 3.54Å; K15-Y19 WeakPolarHBondContact O-CD2 3.17Å; K15-Y19 PolarHBondContact O-N 3.09Å; L16-Y19 PolarHBondContact O-N 3.4Å; Y19-V22 PolarHBondContact O-N 2.9Å; Y19-N23 VanDerWaalsContact O-CB 3.32Å; Y19-N23 WeakPolarHBondContact O-CB 3.32Å; Y19-N23 PolarHBondContact O-N 3.48Å; Y19-N23 PolarHBondContact O-ND2 3.44Å; Y19-N23 VanDerWaalsContact O-ND2 3.16Å; Y19-C46 HydrophobicContact CD1-CB 4.33Å; Y19-C46 VanDerWaalsContact CD1-SG 3.53Å; Y19-C46 HydrophobicContact CD2-CB 3.75Å; Y19-C46 HydrophobicContact CE1-CB 4.16Å; Y19-C46 HydrophobicContact CE2-CB 3.59Å; Y19-C46 HydrophobicContact CG-CB 4.15Å; Y19-D49 PolarHBondContact OH-OD2 3.27Å
20E98.4Very high97.7Very high62 Ų6242.9 Ų42.929%0.2923%0.225SC..Hα-helixtrans-60.4-48.5175.4-173.660.4-154.400110.7L16 V22 N23 Q24 Y231 V239L16-E20 WeakPolarHBondContact O-CB 3.42Å; L16-E20 PolarHBondContact O-N 3.08Å; E20-V22 PolarHBondContact O-N 3.5Å; E20-N23 PolarHBondContact O-N 3.46Å; E20-Q24 WeakPolarHBondContact O-CB 3.18Å; E20-Q24 WeakPolarHBondContact O-CG 3.46Å; E20-Q24 PolarHBondContact O-N 2.93Å; E20-Q24 VanDerWaalsContact O-N 3.09Å; E20-Q24 PolarHBondContact OE1-NE2 3.4Å; E20-Y231 HydrophobicContact CB-CD1 4.49Å; E20-Y231 HydrophobicContact CG-CD1 4Å; E20-Y231 HydrophobicContact CG-CE1 4.05Å; E20-V239 HydrophobicContact CB-CG1 4.44Å; E20-V239 HydrophobicContact CB-CG2 4.06Å; E20-V239 HydrophobicContact CG-CB 4.37Å; E20-V239 HydrophobicContact CG-CG1 4.27Å; E20-V239 HydrophobicContact CG-CG2 4.32Å
21C98.6Very high97.9Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-59.5-44.6177.5-174.80000112.6A17 A18 Q24 H25 Y126 V128 Y231A17-C21 WeakPolarHBondContact O-CB 3.38Å; A17-C21 PolarHBondContact O-N 3.33Å; A17-C21 VanDerWaalsContact O-N 3.08Å; A18-C21 PolarHBondContact O-N 3.3Å; C21-Q24 PolarHBondContact O-N 3.22Å; C21-H25 PolarHBondContact O-N 3.49Å; C21-Y126 VanDerWaalsContact SG-CB 3.53Å; C21-V128 HydrophobicContact CB-CG1 3.53Å; C21-Y231 HydrophobicContact CB-CD2 3.57Å; C21-Y231 HydrophobicContact CB-CE2 3.75Å; C21-Y231 HydrophobicContact CB-CG 4.12Å
22V98.5Very high98.1Very high1 Ų139.8 Ų39.81%0.00621%0.21CC..Hα-helixtrans-64.4-45.8179170.80000110.8A18 Y19 E20 Q24 H25 V26 V43 C46 L47 Y50 I92A18-V22 WeakPolarHBondContact O-CG2 3.34Å; A18-V22 PolarHBondContact O-N 2.85Å; Y19-V22 PolarHBondContact O-N 2.9Å; E20-V22 PolarHBondContact O-N 3.5Å; V22-Q24 PolarHBondContact O-N 3.4Å; V22-H25 PolarHBondContact O-N 3.08Å; V22-V26 HydrophobicContact CB-CG2 4.34Å; V22-V26 HydrophobicContact CG1-CB 4.01Å; V22-V26 HydrophobicContact CG1-CG2 4.11Å; V22-V26 HydrophobicContact CG2-CG2 4.36Å; V22-V26 WeakPolarHBondContact O-CB 3.28Å; V22-V26 PolarHBondContact O-N 2.89Å; V22-V43 HydrophobicContact CG2-CG1 3.82Å; V22-C46 HydrophobicContact CG2-CB 4.28Å; V22-L47 HydrophobicContact CG1-CD2 3.89Å; V22-L47 HydrophobicContact CG2-CD2 4.33Å; V22-Y50 HydrophobicContact CG1-CD2 4.04Å; V22-Y50 HydrophobicContact CG1-CE2 3.97Å; V22-I92 HydrophobicContact CG2-CD1 4.25Å
23N98.3Very high98.2Very high75 Ų7536.1 Ų36.140%0.40119%0.19SC..Hα-helixtrans-60.8-33.9179.6-77.2-30.2000113.3Y19 E20 Y50 K55Y19-N23 VanDerWaalsContact O-CB 3.32Å; Y19-N23 WeakPolarHBondContact O-CB 3.32Å; Y19-N23 PolarHBondContact O-N 3.48Å; Y19-N23 PolarHBondContact O-ND2 3.44Å; Y19-N23 VanDerWaalsContact O-ND2 3.16Å; E20-N23 PolarHBondContact O-N 3.46Å; N23-Y50 WeakPolarHBondContact OD1-CE2 3.42Å; N23-Y50 VanDerWaalsContact OD1-CZ 3.29Å; N23-Y50 PolarHBondContact OD1-OH 2.91Å; N23-K55 PolarHBondContact OD1-NZ 2.91Å
24Q98.2Very high98.3Very high109 Ų10936 Ų3651%0.50919%0.189SC..Hα-helixtrans-83.7-25.1-175-66.9-708.300113.7E20 C21 V22E20-Q24 WeakPolarHBondContact O-CB 3.18Å; E20-Q24 WeakPolarHBondContact O-CG 3.46Å; E20-Q24 PolarHBondContact O-N 2.93Å; E20-Q24 VanDerWaalsContact O-N 3.09Å; E20-Q24 PolarHBondContact OE1-NE2 3.4Å; C21-Q24 PolarHBondContact O-N 3.22Å; V22-Q24 PolarHBondContact O-N 3.4Å
25H98.3Very high98.2Very high23 Ų2335.6 Ų35.611%0.10619%0.188CC..Hα-helixtrans-132.2-20.1-165.2-65.1-62.1000115.6C21 V22 Q30 L90 Y126 R229 Y231C21-H25 PolarHBondContact O-N 3.49Å; V22-H25 PolarHBondContact O-N 3.08Å; H25-Q30 PolarHBondContact O-NE2 2.85Å; H25-Q30 PolarHBondContact O-OE1 3.27Å; H25-L90 HydrophobicContact CB-CD2 4.19Å; H25-L90 WeakPolarHBondContact O-CD2 3.44Å; H25-Y126 HydrophobicContact CB-CD2 4.13Å; H25-Y126 HydrophobicContact CB-CE2 3.63Å; H25-Y126 AromaticContact CD2-CD2 3.79Å; H25-Y126 AromaticContact CD2-CE1 3.92Å; H25-Y126 AromaticContact CD2-CE2 3.64Å; H25-Y126 AromaticContact CD2-CG 3.99Å; H25-Y126 AromaticContact CD2-CZ 3.7Å; H25-Y126 AromaticContact CE1-CE1 3.66Å; H25-Y126 AromaticContact CE1-CZ 3.45Å; H25-Y126 VanDerWaalsContact CE1-CZ 3.45Å; H25-Y126 PolarHBondContact CE1-OH 3.3Å; H25-Y126 AromaticContact CG-CE2 3.46Å; H25-Y126 VanDerWaalsContact CG-CE2 3.46Å; H25-Y126 AromaticContact CG-CZ 3.6Å; H25-Y126 AromaticContact ND1-CE2 3.8Å; H25-Y126 AromaticContact ND1-CZ 3.46Å; H25-Y126 PolarHBondContact ND1-OH 3.28Å; H25-Y126 AromaticContact NE2-CD1 3.84Å; H25-Y126 AromaticContact NE2-CE1 3.48Å; H25-Y126 WeakPolarHBondContact NE2-CE1 3.26Å; H25-Y126 AromaticContact NE2-CZ 3.58Å; H25-R229 PolarHBondContact CE1-NH1 3.31Å; H25-R229 VanDerWaalsContact CE1-NH1 3.26Å; H25-Y231 PolarHBondContact CD2-OH 3.24Å; H25-Y231 VanDerWaalsContact CD2-OH 3.28Å; H25-Y231 AromaticContact NE2-CE2 3.96Å; H25-Y231 AromaticContact NE2-CZ 3.79Å; H25-Y231 PolarHBondContact NE2-OH 3.2Å
26V98.6Very high97.9Very high14 Ų1432 Ų329%0.08517%0.174CC..  trans-93.1125.3-176.1179.80000110.7V22 I32 L47 L56 L90 I92V22-V26 HydrophobicContact CB-CG2 4.34Å; V22-V26 HydrophobicContact CG1-CB 4.01Å; V22-V26 HydrophobicContact CG1-CG2 4.11Å; V22-V26 HydrophobicContact CG2-CG2 4.36Å; V22-V26 WeakPolarHBondContact O-CB 3.28Å; V22-V26 PolarHBondContact O-N 2.89Å; V26-I32 HydrophobicContact CG1-CD1 3.48Å; V26-I32 VanDerWaalsContact CG1-CD1 3.48Å; V26-I32 HydrophobicContact CG2-CD1 4.35Å; V26-L47 HydrophobicContact CB-CD2 4.34Å; V26-L47 HydrophobicContact CG1-CD2 3.72Å; V26-L47 HydrophobicContact CG2-CD2 4.22Å; V26-L56 HydrophobicContact CG1-CD1 3.69Å; V26-L56 HydrophobicContact CG1-CD2 4.12Å; V26-L90 HydrophobicContact CG2-CD1 4.31Å; V26-L90 HydrophobicContact CG2-CD2 4.39Å; V26-I92 HydrophobicContact CG2-CD1 3.81Å
27E98.4Very high97.7Very high128 Ų12830.5 Ų30.560%0.59817%0.174SC*.  trans-126.2158.9179.8-61177.7-179.900110.7Q30E27-Q30 HydrophobicContact CB-CG 4.28Å; E27-Q30 WeakPolarHBondContact O-CB 3.35Å; E27-Q30 WeakPolarHBondContact O-CG 3.25Å; E27-Q30 PolarHBondContact O-N 3.12Å
28S98.5Very high97.4Very high60 Ų6033.7 Ų33.742%0.4220%0.196SC..THydrogen-bonded Turntrans-60.3145.6174.2-63.80000111.2Q30 R57S28-Q30 VanDerWaalsContact C-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.46Å; S28-R57 CarbonylContact C-O 3.54Å; S28-R57 WeakPolarHBondContact CA-O 3.35Å; S28-R57 WeakPolarHBondContact CB-O 3.19Å; S28-R57 PolarHBondContact OG-N 2.99Å
29G97.9Very high97.1Very high45 Ų4534.2 Ų34.246%0.46420%0.199SC..THydrogen-bonded Turntrans83-4.8-17900000115.4R57 D58G29-R57 PolarHBondContact N-O 3.48Å; G29-D58 CarbonylContact C-O 3.59Å; G29-D58 WeakPolarHBondContact CA-O 3.46Å
30Q98.3Very high96.9Very high28 Ų2832.3 Ų32.313%0.13119%0.192CC..  trans-79.8145.4-179.2-71.5-178.8-19.300113H25 E27 S28 I32 I59 V60 D89H25-Q30 PolarHBondContact O-NE2 2.85Å; H25-Q30 PolarHBondContact O-OE1 3.27Å; E27-Q30 HydrophobicContact CB-CG 4.28Å; E27-Q30 WeakPolarHBondContact O-CB 3.35Å; E27-Q30 WeakPolarHBondContact O-CG 3.25Å; E27-Q30 PolarHBondContact O-N 3.12Å; S28-Q30 VanDerWaalsContact C-N 3.3Å; S28-Q30 PolarHBondContact O-N 3.46Å; Q30-I32 HydrophobicContact CB-CD1 4.4Å; Q30-I32 HydrophobicContact CB-CG1 4.01Å; Q30-I59 VanDerWaalsContact O-CA 3.28Å; Q30-I59 WeakPolarHBondContact O-CA 3.32Å; Q30-V60 PolarHBondContact O-N 3.3Å; Q30-D89 WeakPolarHBondContact CA-OD2 3.32Å; Q30-D89 HydrophobicContact CB-CB 4.12Å; Q30-D89 HydrophobicContact CG-CB 4.05Å
31V98.3Very high96.8Very high8 Ų831.6 Ų31.65%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-94.8119.7165.9-172.40000108.5V60 V62 Y85 L88 D89V31-V60 HydrophobicContact CG1-CB 4.23Å; V31-V60 HydrophobicContact CG1-CG1 4.38Å; V31-V60 HydrophobicContact CG2-CB 4.39Å; V31-V62 HydrophobicContact CG1-CG2 3.88Å; V31-Y85 HydrophobicContact CG1-CD1 4.08Å; V31-Y85 HydrophobicContact CG1-CG 4.02Å; V31-Y85 HydrophobicContact CG2-CD1 3.66Å; V31-Y85 HydrophobicContact CG2-CE1 4.24Å; V31-Y85 HydrophobicContact CG2-CG 4.44Å; V31-L88 HydrophobicContact CG1-CD1 4.13Å; V31-L88 HydrophobicContact CG1-CG 3.85Å; V31-D89 PolarHBondContact N-OD2 2.85Å; V31-D89 PolarHBondContact O-N 3.17Å
32I98.7Very high96.8Very high0 Ų033.7 Ų33.70%020%0.2CC..EExtended strand (participates in β ladder)trans-121.2120.7-165.7-55.2162.3000109.7V26 Q30 V34 L47 I59 V60 C61 V62 L90V26-I32 HydrophobicContact CG1-CD1 3.48Å; V26-I32 VanDerWaalsContact CG1-CD1 3.48Å; V26-I32 HydrophobicContact CG2-CD1 4.35Å; Q30-I32 HydrophobicContact CB-CD1 4.4Å; Q30-I32 HydrophobicContact CB-CG1 4.01Å; I32-V34 HydrophobicContact CG2-CG1 3.87Å; I32-L47 HydrophobicContact CD1-CD2 4.27Å; I32-I59 HydrophobicContact CD1-CB 4.18Å; I32-I59 HydrophobicContact CD1-CG2 4.22Å; I32-V60 PolarHBondContact N-O 2.95Å; I32-C61 CarbonylContact O-C 3.52Å; I32-C61 WeakPolarHBondContact O-CA 3.25Å; I32-V62 PolarHBondContact O-N 2.82Å; I32-L90 CarbonylContact C-O 3.58Å; I32-L90 WeakPolarHBondContact CA-O 3.36Å; I32-L90 HydrophobicContact CG1-CD1 4.47Å; I32-L90 HydrophobicContact CG2-CD1 3.7Å
33G98.7Very high96.8Very high0 Ų033.7 Ų33.70%020%0.199CC..EExtended strand (participates in β ladder)trans-71.1124.5165.500000109.9V62 L90 C91 I92G33-V62 CarbonylContact C-O 3.42Å; G33-V62 WeakPolarHBondContact CA-O 3.35Å; G33-L90 PolarHBondContact N-O 3.06Å; G33-C91 CarbonylContact O-C 3.54Å; G33-C91 WeakPolarHBondContact O-CA 3.34Å; G33-I92 PolarHBondContact O-N 3.36Å
34V98.5Very high96.8Very high0 Ų030.2 Ų30.20%018%0.181CC..EExtended strand (participates in β ladder)trans-118.6124.3-178.5-65.30000112.2I32 I44 L47 C61 V62 T64 V72I32-V34 HydrophobicContact CG2-CG1 3.87Å; V34-I44 HydrophobicContact CB-CD1 4.31Å; V34-I44 HydrophobicContact CB-CG1 4.01Å; V34-I44 HydrophobicContact CG1-CG1 4.44Å; V34-I44 HydrophobicContact CG2-CD1 4.2Å; V34-I44 HydrophobicContact CG2-CG1 4.25Å; V34-L47 HydrophobicContact CG1-CD1 3.84Å; V34-C61 HydrophobicContact CG1-CB 4.41Å; V34-C61 HydrophobicContact CG2-CB 4.07Å; V34-V62 PolarHBondContact N-O 3.49Å; V34-T64 WeakPolarHBondContact O-CG2 3.46Å; V34-T64 PolarHBondContact O-N 3.5Å; V34-T64 PolarHBondContact O-OG1 2.79Å; V34-V72 HydrophobicContact CG2-CG2 3.68Å
35G96.1Very high96.8Very high1 Ų126.2 Ų26.21%0.0116%0.163CC..  trans-69.5-176.3-17600000117T64 A68 I92 D93G35-T64 VanDerWaalsContact CA-OG1 3.29Å; G35-T64 WeakPolarHBondContact CA-OG1 3.3Å; G35-A68 VanDerWaalsContact O-CB 3.31Å; G35-A68 WeakPolarHBondContact O-CB 3.4Å; G35-I92 PolarHBondContact N-O 2.92Å; G35-D93 WeakPolarHBondContact CA-OD1 3.41Å
36S92.4Very high96.8Very high16 Ų1625.1 Ų25.111%0.11216%0.158CC..  trans-129172.3177.883.90000113.3A40 S65 D93 E115S36-A40 VanDerWaalsContact O-CB 3.26Å; S36-A40 WeakPolarHBondContact O-CB 3.39Å; S36-S65 WeakPolarHBondContact CB-OG 3.48Å; S36-D93 PolarHBondContact N-OD1 3.38Å; S36-D93 VanDerWaalsContact N-OD1 3.17Å; S36-E115 PolarHBondContact OG-OE1 2.55Å
37G92.1Very high96.8Very high29 Ų2924.5 Ų24.530%0.29915%0.154SC..Hα-helixtrans84.6-173.4179.800000115.2T39 V41 Q67G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.27Å; G37-T39 VanDerWaalsContact O-N 3.15Å; G37-V41 PolarHBondContact O-N 2.92Å; G37-Q67 VanDerWaalsContact N-OE1 3.08Å
38S91.2Very high96.8Very high67 Ų6718.8 Ų18.847%0.46913%0.129SC..Hα-helixtrans-69.3-18.4-160.575.10000115.5K14 Y42K14-S38 PolarHBondContact NZ-OG 2.83Å; S38-Y42 WeakPolarHBondContact O-CD2 3.33Å; S38-Y42 VanDerWaalsContact O-CE2 3.28Å; S38-Y42 WeakPolarHBondContact O-CE2 3.5Å
39T93.1Very high96.7Very high11 Ų1118.5 Ų18.57%0.06712%0.123CC..Hα-helixtrans-102.6-42.6177.3-49.30000111.5K14 G37 V41 Y42 V128K14-T39 HydrophobicContact CB-CG2 3.93Å; K14-T39 HydrophobicContact CG-CG2 4.17Å; K14-T39 WeakPolarHBondContact CG-OG1 3.18Å; G37-T39 VanDerWaalsContact C-N 3.27Å; G37-T39 PolarHBondContact O-N 3.27Å; G37-T39 VanDerWaalsContact O-N 3.15Å; T39-V41 PolarHBondContact O-N 2.91Å; T39-Y42 WeakPolarHBondContact O-CB 3.47Å; T39-Y42 PolarHBondContact O-N 3.31Å; T39-V128 HydrophobicContact CG2-CB 4.09Å; T39-V128 HydrophobicContact CG2-CG2 3.98Å; T39-V128 WeakPolarHBondContact CG2-O 3.43Å
40A93.8Very high96.8Very high1 Ų117.8 Ų17.81%0.00811%0.106CC..Hα-helixtrans-63.5-26.7-178.600000113S36 Y42 V43 I44S36-A40 VanDerWaalsContact O-CB 3.26Å; S36-A40 WeakPolarHBondContact O-CB 3.39Å; A40-Y42 PolarHBondContact O-N 2.96Å; A40-V43 VanDerWaalsContact O-CB 3.25Å; A40-V43 WeakPolarHBondContact O-CB 3.35Å; A40-V43 PolarHBondContact O-N 3Å; A40-I44 PolarHBondContact O-N 3.06Å
41V96.3Very high96.8Very high47 Ų4720.5 Ų20.529%0.28512%0.116SC..Hα-helixtrans-56.5-32.9172.4720000112.7G37 T39 V43 I44 N45 T71G37-V41 PolarHBondContact O-N 2.92Å; T39-V41 PolarHBondContact O-N 2.91Å; V41-V43 VanDerWaalsContact C-N 3.31Å; V41-V43 PolarHBondContact O-N 3.19Å; V41-I44 PolarHBondContact O-N 2.58Å; V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 PolarHBondContact O-ND2 2.97Å; V41-T71 HydrophobicContact CG2-CG2 4.08Å
42Y97.9Very high96.7Very high45 Ų4528 Ų2818%0.17615%0.151CC..Hα-helixtrans-71.6-26.1177-67.8-72.6000112.7E11 K14 K15 S38 T39 A40 C46E11-Y42 WeakPolarHBondContact OE2-CE2 3.07Å; E11-Y42 PolarHBondContact OE2-OH 3.32Å; K14-Y42 HydrophobicContact CB-CD2 3.81Å; K14-Y42 HydrophobicContact CB-CE2 3.78Å; K14-Y42 HydrophobicContact CD-CE2 4.24Å; K15-Y42 HydrophobicContact CB-CD1 3.78Å; K15-Y42 HydrophobicContact CB-CE1 4.08Å; K15-Y42 HydrophobicContact CB-CG 4.08Å; K15-Y42 HydrophobicContact CD-CD1 4.4Å; K15-Y42 HydrophobicContact CG-CD1 3.89Å; K15-Y42 HydrophobicContact CG-CE1 4.41Å; K15-Y42 HydrophobicContact CG-CG 4.44Å; S38-Y42 WeakPolarHBondContact O-CD2 3.33Å; S38-Y42 VanDerWaalsContact O-CE2 3.28Å; S38-Y42 WeakPolarHBondContact O-CE2 3.5Å; T39-Y42 WeakPolarHBondContact O-CB 3.47Å; T39-Y42 PolarHBondContact O-N 3.31Å; A40-Y42 PolarHBondContact O-N 2.96Å; Y42-C46 WeakPolarHBondContact O-CB 3.21Å; Y42-C46 PolarHBondContact O-N 3.21Å
43V98.6Very high96.7Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-64.1-52.1171.6179.60000108.9A18 V22 A40 V41 N45 C46 L47 I92 V128A18-V43 HydrophobicContact CB-CG2 3.75Å; V22-V43 HydrophobicContact CG2-CG1 3.82Å; A40-V43 VanDerWaalsContact O-CB 3.25Å; A40-V43 WeakPolarHBondContact O-CB 3.35Å; A40-V43 PolarHBondContact O-N 3Å; V41-V43 VanDerWaalsContact C-N 3.31Å; V41-V43 PolarHBondContact O-N 3.19Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 3.13Å; V43-C46 WeakPolarHBondContact O-CB 3.21Å; V43-C46 PolarHBondContact O-N 3.34Å; V43-C46 VanDerWaalsContact O-N 3.11Å; V43-L47 HydrophobicContact CG1-CD1 4.15Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 WeakPolarHBondContact O-CG 3.48Å; V43-L47 PolarHBondContact O-N 3.36Å; V43-I92 HydrophobicContact CG1-CB 4.08Å; V43-I92 HydrophobicContact CG1-CD1 4.07Å; V43-I92 HydrophobicContact CG1-CG2 4.11Å; V43-I92 HydrophobicContact CG2-CB 4.47Å; V43-I92 HydrophobicContact CG2-CG2 3.68Å; V43-V128 HydrophobicContact CG2-CG1 4.45Å; V43-V128 HydrophobicContact CG2-CG2 3.73Å
44I98.4Very high96.6Very high2 Ų236.6 Ų36.61%0.0120%0.195CC..Hα-helixtrans-60.5-41.2179.5-57.4173.3000110.7V34 A40 V41 L47 A48 A68 T71 V72 R75 L77V34-I44 HydrophobicContact CB-CD1 4.31Å; V34-I44 HydrophobicContact CB-CG1 4.01Å; V34-I44 HydrophobicContact CG1-CG1 4.44Å; V34-I44 HydrophobicContact CG2-CD1 4.2Å; V34-I44 HydrophobicContact CG2-CG1 4.25Å; A40-I44 PolarHBondContact O-N 3.06Å; V41-I44 PolarHBondContact O-N 2.58Å; I44-L47 PolarHBondContact O-N 3.23Å; I44-A48 WeakPolarHBondContact O-CB 3.16Å; I44-A48 PolarHBondContact O-N 2.96Å; I44-A68 HydrophobicContact CD1-CB 4.41Å; I44-T71 HydrophobicContact CB-CG2 4.12Å; I44-T71 HydrophobicContact CD1-CG2 4.02Å; I44-T71 HydrophobicContact CG2-CG2 3.77Å; I44-V72 HydrophobicContact CD1-CG2 4.18Å; I44-V72 HydrophobicContact CG2-CG2 4.2Å; I44-R75 HydrophobicContact CG2-CB 4.47Å; I44-R75 HydrophobicContact CG2-CG 4.26Å; I44-L77 HydrophobicContact CG2-CD1 3.77Å
45N97.9Very high96.5Very high26 Ų2642.2 Ų42.214%0.13922%0.22CC..Hα-helixtrans-62.3-43.5175.1-66.5-30.3000112.2V41 V43 A48 D49 R75V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 PolarHBondContact O-ND2 2.97Å; V43-N45 VanDerWaalsContact C-N 3.3Å; V43-N45 PolarHBondContact O-N 3.13Å; N45-A48 WeakPolarHBondContact O-CB 3.49Å; N45-A48 PolarHBondContact O-N 2.79Å; N45-D49 PolarHBondContact O-N 3.34Å; N45-R75 VanDerWaalsContact OD1-CZ 3.26Å; N45-R75 PolarHBondContact OD1-NE 2.91Å; N45-R75 PolarHBondContact OD1-NH2 3.19Å
46C98.2Very high96.6Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-63.1-43.1177.2-173.40000112Y19 V22 Y42 V43 A48 D49 Y50Y19-C46 HydrophobicContact CD1-CB 4.33Å; Y19-C46 VanDerWaalsContact CD1-SG 3.53Å; Y19-C46 HydrophobicContact CD2-CB 3.75Å; Y19-C46 HydrophobicContact CE1-CB 4.16Å; Y19-C46 HydrophobicContact CE2-CB 3.59Å; Y19-C46 HydrophobicContact CG-CB 4.15Å; V22-C46 HydrophobicContact CG2-CB 4.28Å; Y42-C46 WeakPolarHBondContact O-CB 3.21Å; Y42-C46 PolarHBondContact O-N 3.21Å; V43-C46 WeakPolarHBondContact O-CB 3.21Å; V43-C46 PolarHBondContact O-N 3.34Å; V43-C46 VanDerWaalsContact O-N 3.11Å; C46-A48 VanDerWaalsContact C-N 3.32Å; C46-A48 PolarHBondContact O-N 3.26Å; C46-D49 PolarHBondContact O-N 2.78Å; C46-Y50 PolarHBondContact O-N 3.28Å; C46-Y50 VanDerWaalsContact O-N 3.08Å
47L98.6Very high96.9Very high0 Ų049 Ų490%024%0.243CC..Hα-helixtrans-60.5-44.5175.9-67.1175.6000110.9V22 V26 I32 V34 V43 I44 Y50 Y51 L56 I59 L77V22-L47 HydrophobicContact CG1-CD2 3.89Å; V22-L47 HydrophobicContact CG2-CD2 4.33Å; V26-L47 HydrophobicContact CB-CD2 4.34Å; V26-L47 HydrophobicContact CG1-CD2 3.72Å; V26-L47 HydrophobicContact CG2-CD2 4.22Å; I32-L47 HydrophobicContact CD1-CD2 4.27Å; V34-L47 HydrophobicContact CG1-CD1 3.84Å; V43-L47 HydrophobicContact CG1-CD1 4.15Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 WeakPolarHBondContact O-CG 3.48Å; V43-L47 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 3.23Å; L47-Y50 PolarHBondContact O-N 3.43Å; L47-Y51 VanDerWaalsContact O-CB 3.25Å; L47-Y51 WeakPolarHBondContact O-CB 3.21Å; L47-Y51 PolarHBondContact O-N 3.48Å; L47-L56 HydrophobicContact CD2-CD1 3.82Å; L47-I59 HydrophobicContact CB-CD1 4.44Å; L47-I59 HydrophobicContact CD2-CD1 4.42Å; L47-L77 HydrophobicContact CB-CD1 3.95Å; L47-L77 HydrophobicContact CB-CD2 4.38Å
48A98.3Very high97.1Very high9 Ų953.6 Ų53.67%0.07426%0.261CS..Hα-helixtrans-60.5-48.2177.500000111.9I44 N45 C46 Y50 Y51 E52 R75 L77I44-A48 WeakPolarHBondContact O-CB 3.16Å; I44-A48 PolarHBondContact O-N 2.96Å; N45-A48 WeakPolarHBondContact O-CB 3.49Å; N45-A48 PolarHBondContact O-N 2.79Å; C46-A48 VanDerWaalsContact C-N 3.32Å; C46-A48 PolarHBondContact O-N 3.26Å; A48-Y50 VanDerWaalsContact C-N 3.26Å; A48-Y50 PolarHBondContact O-N 3.28Å; A48-Y51 PolarHBondContact O-N 2.82Å; A48-E52 WeakPolarHBondContact O-CB 3.36Å; A48-E52 PolarHBondContact O-N 3Å; A48-R75 HydrophobicContact CB-CB 3.75Å; A48-R75 HydrophobicContact CB-CG 4.15Å; A48-L77 HydrophobicContact CB-CD1 4.14Å; A48-L77 HydrophobicContact CB-CD2 4.49Å; A48-L77 HydrophobicContact CB-CG 4.22Å
49D98.1Very high97.5Very high53 Ų5350.5 Ų50.528%0.28324%0.239SC..Hα-helixtrans-57.1-41177.4-71.1-12.4000111.6Y19 N45 C46 K53Y19-D49 PolarHBondContact OH-OD2 3.27Å; N45-D49 PolarHBondContact O-N 3.34Å; C46-D49 PolarHBondContact O-N 2.78Å; D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 VanDerWaalsContact O-CD 3.28Å; D49-K53 WeakPolarHBondContact O-CD 3.46Å; D49-K53 WeakPolarHBondContact O-CG 3.28Å; D49-K53 PolarHBondContact O-N 3.29Å
50Y98.4Very high97.7Very high31 Ų3150.8 Ų50.812%0.12224%0.241CC..Hα-helixtrans-77.4-34.7-178.4-71.9-2.2000112.9V22 N23 C46 L47 A48 G54 K55 L56V22-Y50 HydrophobicContact CG1-CD2 4.04Å; V22-Y50 HydrophobicContact CG1-CE2 3.97Å; N23-Y50 WeakPolarHBondContact OD1-CE2 3.42Å; N23-Y50 VanDerWaalsContact OD1-CZ 3.29Å; N23-Y50 PolarHBondContact OD1-OH 2.91Å; C46-Y50 PolarHBondContact O-N 3.28Å; C46-Y50 VanDerWaalsContact O-N 3.08Å; L47-Y50 PolarHBondContact O-N 3.43Å; A48-Y50 VanDerWaalsContact C-N 3.26Å; A48-Y50 PolarHBondContact O-N 3.28Å; Y50-G54 PolarHBondContact O-N 3.08Å; Y50-K55 HydrophobicContact CD1-CD 3.98Å; Y50-K55 HydrophobicContact CD2-CD 3.97Å; Y50-K55 HydrophobicContact CE1-CD 4.21Å; Y50-K55 HydrophobicContact CE2-CD 4.2Å; Y50-K55 VanDerWaalsContact CE2-NZ 3.31Å; Y50-K55 HydrophobicContact CG-CD 3.86Å; Y50-K55 VanDerWaalsContact CZ-NZ 3.34Å; Y50-K55 WeakPolarHBondContact O-CB 3.3Å; Y50-K55 PolarHBondContact O-N 2.93Å; Y50-K55 PolarHBondContact OH-NZ 3.41Å; Y50-L56 HydrophobicContact CD2-CD1 4.06Å; Y50-L56 HydrophobicContact CD2-CG 4.39Å; Y50-L56 HydrophobicContact CG-CD1 4.48Å; Y50-L56 PolarHBondContact O-N 3.35Å; Y50-L56 VanDerWaalsContact O-N 3.09Å
51Y98.2Very high98Very high85 Ų8550.7 Ų50.733%0.33324%0.24SC..Hα-helixtrans-68.3-46.3175.9-169.2-101000111.2L47 A48 K53 G54 L56 I59 L77 P78L47-Y51 VanDerWaalsContact O-CB 3.25Å; L47-Y51 WeakPolarHBondContact O-CB 3.21Å; L47-Y51 PolarHBondContact O-N 3.48Å; A48-Y51 PolarHBondContact O-N 2.82Å; Y51-K53 VanDerWaalsContact C-N 3.3Å; Y51-K53 PolarHBondContact O-N 3.39Å; Y51-G54 PolarHBondContact O-N 2.96Å; Y51-L56 WeakPolarHBondContact CD2-O 3.32Å; Y51-I59 HydrophobicContact CD2-CD1 4.19Å; Y51-I59 HydrophobicContact CD2-CG1 3.91Å; Y51-I59 HydrophobicContact CE2-CG1 4.21Å; Y51-L77 HydrophobicContact CD1-CD2 4.23Å; Y51-L77 HydrophobicContact CG-CD2 3.95Å; Y51-P78 HydrophobicContact CE1-CG 4.29Å; Y51-P78 HydrophobicContact CE2-CG 4.02Å; Y51-P78 WeakPolarHBondContact OH-CG 3.25Å
52E97.5Very high98.1Very high166 Ų16648.6 Ų48.678%0.77623%0.227SC*.Hα-helixtrans-60.8-39.3176.6-176.6175.1-15600112A48 G54A48-E52 WeakPolarHBondContact O-CB 3.36Å; A48-E52 PolarHBondContact O-N 3Å; E52-G54 PolarHBondContact O-N 2.94Å
53K97.7Very high98.1Very high152 Ų15247.5 Ų47.566%0.66123%0.226SC*.THydrogen-bonded Turntrans-77.3-1.8176.2-67.8169.6-170.9166.10113.6D49 Y51 K55D49-K53 WeakPolarHBondContact O-CB 3.48Å; D49-K53 VanDerWaalsContact O-CD 3.28Å; D49-K53 WeakPolarHBondContact O-CD 3.46Å; D49-K53 WeakPolarHBondContact O-CG 3.28Å; D49-K53 PolarHBondContact O-N 3.29Å; Y51-K53 VanDerWaalsContact C-N 3.3Å; Y51-K53 PolarHBondContact O-N 3.39Å; K53-K55 PolarHBondContact O-N 3.16Å
54G96.9Very high98.1Very high27 Ų2747.5 Ų47.528%0.27823%0.226SC..THydrogen-bonded Turntrans68.413.1-178.500000115.1Y50 Y51 E52 R57Y50-G54 PolarHBondContact O-N 3.08Å; Y51-G54 PolarHBondContact O-N 2.96Å; E52-G54 PolarHBondContact O-N 2.94Å; G54-R57 PolarHBondContact O-NE 2.91Å; G54-R57 VanDerWaalsContact O-NE 3.12Å
55K97.6Very high98Very high118 Ų11847.8 Ų47.851%0.51323%0.228SC..SBendtrans-70.7-39.9173.2177.9-177.7173.8-170.70110.7N23 Y50 K53N23-K55 PolarHBondContact OD1-NZ 2.91Å; Y50-K55 HydrophobicContact CD1-CD 3.98Å; Y50-K55 HydrophobicContact CD2-CD 3.97Å; Y50-K55 HydrophobicContact CE1-CD 4.21Å; Y50-K55 HydrophobicContact CE2-CD 4.2Å; Y50-K55 VanDerWaalsContact CE2-NZ 3.31Å; Y50-K55 HydrophobicContact CG-CD 3.86Å; Y50-K55 VanDerWaalsContact CZ-NZ 3.34Å; Y50-K55 WeakPolarHBondContact O-CB 3.3Å; Y50-K55 PolarHBondContact O-N 2.93Å; Y50-K55 PolarHBondContact OH-NZ 3.41Å; K53-K55 PolarHBondContact O-N 3.16Å
56L98.1Very high97.9Very high7 Ų753.9 Ų53.94%0.03725%0.25CS..SBendtrans-107.8141.4169.3-70.2177.1000109.4V26 L47 Y50 Y51 I59V26-L56 HydrophobicContact CG1-CD1 3.69Å; V26-L56 HydrophobicContact CG1-CD2 4.12Å; L47-L56 HydrophobicContact CD2-CD1 3.82Å; Y50-L56 HydrophobicContact CD2-CD1 4.06Å; Y50-L56 HydrophobicContact CD2-CG 4.39Å; Y50-L56 HydrophobicContact CG-CD1 4.48Å; Y50-L56 PolarHBondContact O-N 3.35Å; Y50-L56 VanDerWaalsContact O-N 3.09Å; Y51-L56 WeakPolarHBondContact CD2-O 3.32Å; L56-I59 HydrophobicContact CB-CG2 4.39Å; L56-I59 HydrophobicContact CD1-CD1 4.39Å
57R97.9Very high97.8Very high154 Ų15459.2 Ų59.258%0.58128%0.275SS*.  trans-139.4156178.6-57.6-178.3-171.2-167.9-0.5109.6S28 G29 G54 I59S28-R57 CarbonylContact C-O 3.54Å; S28-R57 WeakPolarHBondContact CA-O 3.35Å; S28-R57 WeakPolarHBondContact CB-O 3.19Å; S28-R57 PolarHBondContact OG-N 2.99Å; G29-R57 PolarHBondContact N-O 3.48Å; G54-R57 PolarHBondContact O-NE 2.91Å; G54-R57 VanDerWaalsContact O-NE 3.12Å; R57-I59 PolarHBondContact O-N 3.11Å
58D97.4Very high97.7Very high125 Ų12559.2 Ų59.267%0.66828%0.275SS*.SBendtrans53.826.4171.8-48.4-46.9000114.4G29G29-D58 CarbonylContact C-O 3.59Å; G29-D58 WeakPolarHBondContact CA-O 3.46Å
59I98.4Very high97.7Very high1 Ų164 Ų641%0.00529%0.292CS..  trans-81.6153.5173.563.3172000110Q30 I32 L47 Y51 L56 R57 L77 P78Q30-I59 VanDerWaalsContact O-CA 3.28Å; Q30-I59 WeakPolarHBondContact O-CA 3.32Å; I32-I59 HydrophobicContact CD1-CB 4.18Å; I32-I59 HydrophobicContact CD1-CG2 4.22Å; L47-I59 HydrophobicContact CB-CD1 4.44Å; L47-I59 HydrophobicContact CD2-CD1 4.42Å; Y51-I59 HydrophobicContact CD2-CD1 4.19Å; Y51-I59 HydrophobicContact CD2-CG1 3.91Å; Y51-I59 HydrophobicContact CE2-CG1 4.21Å; L56-I59 HydrophobicContact CB-CG2 4.39Å; L56-I59 HydrophobicContact CD1-CD1 4.39Å; R57-I59 PolarHBondContact O-N 3.11Å; I59-L77 HydrophobicContact CD1-CD2 4.12Å; I59-P78 VanDerWaalsContact O-CB 3.25Å; I59-P78 WeakPolarHBondContact O-CB 3.06Å; I59-P78 VanDerWaalsContact O-CG 3.27Å; I59-P78 WeakPolarHBondContact O-CG 3.5Å
60V98.6Very high97.7Very high17 Ų1763.9 Ų63.910%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-126.2129.6172.2178.70000109.3Q30 V31 I32 Y85Q30-V60 PolarHBondContact O-N 3.3Å; V31-V60 HydrophobicContact CG1-CB 4.23Å; V31-V60 HydrophobicContact CG1-CG1 4.38Å; V31-V60 HydrophobicContact CG2-CB 4.39Å; I32-V60 PolarHBondContact N-O 2.95Å; V60-Y85 HydrophobicContact CB-CE1 4.37Å; V60-Y85 HydrophobicContact CG1-CD1 4.44Å; V60-Y85 HydrophobicContact CG1-CD2 3.85Å; V60-Y85 HydrophobicContact CG1-CE1 4.25Å; V60-Y85 HydrophobicContact CG1-CE2 3.66Å; V60-Y85 HydrophobicContact CG1-CG 4.24Å; V60-Y85 HydrophobicContact CG2-CE1 3.88Å; V60-Y85 HydrophobicContact CG2-CE2 4.42Å
61C98.8Very high97.7Very high0 Ų063.3 Ų63.30%029%0.294CS..EExtended strand (participates in β ladder)trans-101.2117.4178.6-64.30000110.5I32 V34 V72 P78 G80I32-C61 CarbonylContact O-C 3.52Å; I32-C61 WeakPolarHBondContact O-CA 3.25Å; V34-C61 HydrophobicContact CG1-CB 4.41Å; V34-C61 HydrophobicContact CG2-CB 4.07Å; C61-V72 HydrophobicContact CB-CG1 3.81Å; C61-V72 HydrophobicContact CB-CG2 3.91Å; C61-P78 PolarHBondContact N-O 3.35Å; C61-G80 PolarHBondContact O-N 2.94Å
62V98.7Very high97.7Very high2 Ų259.2 Ų59.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-101.5111.2173.7-179.60000108.6V31 I32 G33 V34 L82 L88 V118V31-V62 HydrophobicContact CG1-CG2 3.88Å; I32-V62 PolarHBondContact O-N 2.82Å; G33-V62 CarbonylContact C-O 3.42Å; G33-V62 WeakPolarHBondContact CA-O 3.35Å; V34-V62 PolarHBondContact N-O 3.49Å; V62-L82 HydrophobicContact CG1-CD2 3.9Å; V62-L82 HydrophobicContact CG1-CG 4.22Å; V62-L88 HydrophobicContact CB-CD2 4.1Å; V62-L88 HydrophobicContact CG1-CD2 4.44Å; V62-L88 HydrophobicContact CG2-CD1 4.29Å; V62-L88 HydrophobicContact CG2-CD2 4.4Å; V62-L88 HydrophobicContact CG2-CG 4.38Å; V62-V118 HydrophobicContact CB-CG1 4.43Å; V62-V118 HydrophobicContact CG1-CG1 3.98Å; V62-V118 HydrophobicContact CG1-CG2 4.16Å
63P98.4Very high97.7Very high22 Ų2255.3 Ų55.314%0.14326%0.261CS..EExtended strand (participates in β ladder)trans-79.4144.3-172.631.7-35.1000112.9A68 R69 L79 G80P63-A68 HydrophobicContact CB-CB 3.75Å; P63-R69 HydrophobicContact CB-CB 3.89Å; P63-R69 VanDerWaalsContact CB-N 3.34Å; P63-R69 HydrophobicContact CG-CB 3.72Å; P63-R69 HydrophobicContact CG-CG 4.13Å; P63-L79 HydrophobicContact CG-CD1 3.91Å; P63-G80 WeakPolarHBondContact CD-O 3.27Å
64T97.6Very high97.8Very high0 Ų055 Ų550%026%0.262CS..SBendtrans-89.70.4176.365.90000115.3V34 G35 Q114 E115 V118V34-T64 WeakPolarHBondContact O-CG2 3.46Å; V34-T64 PolarHBondContact O-N 3.5Å; V34-T64 PolarHBondContact O-OG1 2.79Å; G35-T64 VanDerWaalsContact CA-OG1 3.29Å; G35-T64 WeakPolarHBondContact CA-OG1 3.3Å; T64-Q114 WeakPolarHBondContact O-CB 3.49Å; T64-E115 HydrophobicContact CG2-CG 4.47Å; T64-V118 HydrophobicContact CG2-CB 3.92Å; T64-V118 HydrophobicContact CG2-CG1 4.01Å; T64-V118 HydrophobicContact CG2-CG2 4.32Å
65S97.2Very high97.8Very high9 Ų959.3 Ų59.36%0.06327%0.27CS..SBendtrans-162.8169.5179.563.70000111.2S36 Q67 A68 R69 C111 D184S36-S65 WeakPolarHBondContact CB-OG 3.48Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.01Å; S65-Q67 PolarHBondContact OG-N 3.2Å; S65-A68 PolarHBondContact O-N 3.34Å; S65-A68 WeakPolarHBondContact OG-CB 3.15Å; S65-A68 PolarHBondContact OG-N 3.2Å; S65-R69 PolarHBondContact O-N 2.97Å; S65-C111 VanDerWaalsContact CB-SG 3.56Å; S65-D184 WeakPolarHBondContact CA-OD2 3.39Å
66Y96Very high97.8Very high153 Ų15362.3 Ų62.360%0.628%0.283SS*.Hα-helixtrans-58.9-40170.1-171.1-98.7000112.8A68 R69 C70 D184Y66-A68 PolarHBondContact O-N 3.24Å; Y66-R69 WeakPolarHBondContact O-CB 3.49Å; Y66-R69 PolarHBondContact O-N 2.75Å; Y66-C70 WeakPolarHBondContact CE1-SG 3.28Å; Y66-C70 PolarHBondContact O-N 2.94Å; Y66-C70 PolarHBondContact O-SG 3.49Å; Y66-D184 PolarHBondContact N-OD2 2.69Å
67Q95.3Very high97.8Very high112 Ų11262.4 Ų62.452%0.52328%0.284SS..Hα-helixtrans-61.7-46.2177.3-177.2-174.344.600111.7G37 S65 R69 C70 T71G37-Q67 VanDerWaalsContact N-OE1 3.08Å; S65-Q67 VanDerWaalsContact C-N 3.3Å; S65-Q67 PolarHBondContact O-N 3.01Å; S65-Q67 PolarHBondContact OG-N 3.2Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.21Å; Q67-C70 PolarHBondContact O-N 3Å; Q67-T71 PolarHBondContact O-N 3.38Å; Q67-T71 PolarHBondContact O-OG1 3.18Å
68A97.7Very high97.9Very high1 Ų157 Ų571%0.00827%0.268CS..Hα-helixtrans-60.5-45.1177.600000110.3G35 I44 P63 S65 Y66 C70 T71 V72G35-A68 VanDerWaalsContact O-CB 3.31Å; G35-A68 WeakPolarHBondContact O-CB 3.4Å; I44-A68 HydrophobicContact CD1-CB 4.41Å; P63-A68 HydrophobicContact CB-CB 3.75Å; S65-A68 PolarHBondContact O-N 3.34Å; S65-A68 WeakPolarHBondContact OG-CB 3.15Å; S65-A68 PolarHBondContact OG-N 3.2Å; Y66-A68 PolarHBondContact O-N 3.24Å; A68-C70 PolarHBondContact O-N 3.13Å; A68-T71 PolarHBondContact O-N 3.33Å; A68-T71 VanDerWaalsContact O-N 3.12Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.89Å
69R98.3Very high97.9Very high110 Ų11054.2 Ų54.242%0.41525%0.253SS..Hα-helixtrans-56.5-49.6176.7-174.7179.3-177.5-81.4-2112.2P63 S65 Y66 Q67 T71 V72 I73 L79P63-R69 HydrophobicContact CB-CB 3.89Å; P63-R69 VanDerWaalsContact CB-N 3.34Å; P63-R69 HydrophobicContact CG-CB 3.72Å; P63-R69 HydrophobicContact CG-CG 4.13Å; S65-R69 PolarHBondContact O-N 2.97Å; Y66-R69 WeakPolarHBondContact O-CB 3.49Å; Y66-R69 PolarHBondContact O-N 2.75Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.21Å; R69-T71 VanDerWaalsContact C-N 3.28Å; R69-T71 PolarHBondContact O-N 3.46Å; R69-V72 PolarHBondContact O-N 2.85Å; R69-I73 HydrophobicContact CG-CD1 4.06Å; R69-I73 WeakPolarHBondContact O-CG1 3.46Å; R69-I73 PolarHBondContact O-N 2.98Å; R69-I73 VanDerWaalsContact O-N 3.08Å; R69-L79 HydrophobicContact CG-CD1 4.19Å; R69-L79 HydrophobicContact CG-CD2 4.27Å
70C97.7Very high97.9Very high49 Ų4954.6 Ų54.633%0.33126%0.257SS..Hα-helixtrans-59.1-41.1177.1-720000112Y66 Q67 A68 I73 Q74Y66-C70 WeakPolarHBondContact CE1-SG 3.28Å; Y66-C70 PolarHBondContact O-N 2.94Å; Y66-C70 PolarHBondContact O-SG 3.49Å; Q67-C70 PolarHBondContact O-N 3Å; A68-C70 PolarHBondContact O-N 3.13Å; C70-I73 PolarHBondContact O-N 3.27Å; C70-Q74 VanDerWaalsContact O-CB 3.29Å; C70-Q74 WeakPolarHBondContact O-CB 3.44Å; C70-Q74 PolarHBondContact O-N 2.93Å
71T97.7Very high97.8Very high19 Ų1957.3 Ų57.312%0.11727%0.271CS..Hα-helixtrans-66.5-44.5-179.9-50.90000111.3V41 I44 Q67 A68 R69 I73 Q74 R75V41-T71 HydrophobicContact CG2-CG2 4.08Å; I44-T71 HydrophobicContact CB-CG2 4.12Å; I44-T71 HydrophobicContact CD1-CG2 4.02Å; I44-T71 HydrophobicContact CG2-CG2 3.77Å; Q67-T71 PolarHBondContact O-N 3.38Å; Q67-T71 PolarHBondContact O-OG1 3.18Å; A68-T71 PolarHBondContact O-N 3.33Å; A68-T71 VanDerWaalsContact O-N 3.12Å; R69-T71 VanDerWaalsContact C-N 3.28Å; R69-T71 PolarHBondContact O-N 3.46Å; T71-I73 PolarHBondContact O-N 3.33Å; T71-Q74 PolarHBondContact O-N 2.98Å; T71-R75 HydrophobicContact CG2-CG 4.38Å; T71-R75 WeakPolarHBondContact O-CB 3.27Å; T71-R75 VanDerWaalsContact O-CG 3.27Å; T71-R75 WeakPolarHBondContact O-CG 3.33Å; T71-R75 PolarHBondContact O-N 2.88Å
72V98.5Very high97.7Very high0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-56.6-48.6175.3170.30000110.8V34 I44 C61 A68 R69 R75 K76 L77 L79V34-V72 HydrophobicContact CG2-CG2 3.68Å; I44-V72 HydrophobicContact CD1-CG2 4.18Å; I44-V72 HydrophobicContact CG2-CG2 4.2Å; C61-V72 HydrophobicContact CB-CG1 3.81Å; C61-V72 HydrophobicContact CB-CG2 3.91Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.89Å; R69-V72 PolarHBondContact O-N 2.85Å; V72-R75 CarbonylContact O-C 3.56Å; V72-R75 PolarHBondContact O-N 3.47Å; V72-K76 PolarHBondContact O-N 2.77Å; V72-L77 HydrophobicContact CG1-CB 3.91Å; V72-L77 PolarHBondContact O-N 3.18Å; V72-L77 VanDerWaalsContact O-N 3.13Å; V72-L79 HydrophobicContact CB-CD1 4.35Å; V72-L79 HydrophobicContact CG1-CB 4.15Å; V72-L79 HydrophobicContact CG1-CD1 3.85Å
73I98.3Very high97.5Very high83 Ų8365.5 Ų65.543%0.42632%0.315SS..Hα-helixtrans-62.5-48.7178.4-66.9168.2000111.1R69 C70 T71 R75 K76 L79R69-I73 HydrophobicContact CG-CD1 4.06Å; R69-I73 WeakPolarHBondContact O-CG1 3.46Å; R69-I73 PolarHBondContact O-N 2.98Å; R69-I73 VanDerWaalsContact O-N 3.08Å; C70-I73 PolarHBondContact O-N 3.27Å; T71-I73 PolarHBondContact O-N 3.33Å; I73-R75 PolarHBondContact O-N 2.82Å; I73-K76 PolarHBondContact O-N 3.01Å; I73-L79 HydrophobicContact CD1-CD2 3.99Å; I73-L79 HydrophobicContact CG1-CD2 3.95Å
74Q98Very high97.3Very high145 Ų14568.4 Ų68.468%0.67833%0.334SS*.Hα-helixtrans-60.3-34.6-179.6-176179.84.500111.9C70 T71 K76C70-Q74 VanDerWaalsContact O-CB 3.29Å; C70-Q74 WeakPolarHBondContact O-CB 3.44Å; C70-Q74 PolarHBondContact O-N 2.93Å; T71-Q74 PolarHBondContact O-N 2.98Å; Q74-K76 VanDerWaalsContact C-N 3.29Å
75R97.9Very high97.2Very high119 Ų11972.6 Ų72.645%0.44935%0.351SS..THydrogen-bonded Turntrans-84.23.4176.9-67.2-58.8-173.2-157.70.2114.3I44 N45 A48 T71 V72 I73 L77I44-R75 HydrophobicContact CG2-CB 4.47Å; I44-R75 HydrophobicContact CG2-CG 4.26Å; N45-R75 VanDerWaalsContact OD1-CZ 3.26Å; N45-R75 PolarHBondContact OD1-NE 2.91Å; N45-R75 PolarHBondContact OD1-NH2 3.19Å; A48-R75 HydrophobicContact CB-CB 3.75Å; A48-R75 HydrophobicContact CB-CG 4.15Å; T71-R75 HydrophobicContact CG2-CG 4.38Å; T71-R75 WeakPolarHBondContact O-CB 3.27Å; T71-R75 VanDerWaalsContact O-CG 3.27Å; T71-R75 WeakPolarHBondContact O-CG 3.33Å; T71-R75 PolarHBondContact O-N 2.88Å; V72-R75 CarbonylContact O-C 3.56Å; V72-R75 PolarHBondContact O-N 3.47Å; I73-R75 PolarHBondContact O-N 2.82Å; R75-L77 HydrophobicContact CB-CD1 4.37Å; R75-L77 HydrophobicContact CB-CG 4.42Å; R75-L77 PolarHBondContact O-N 3.33Å
76K97.9Very high97.1Very high181 Ų18174.2 Ų74.279%0.78736%0.361SS*.THydrogen-bonded Turntrans56.531.9178.3-53.6178.4-179.2176.70113.5V72 I73 Q74V72-K76 PolarHBondContact O-N 2.77Å; I73-K76 PolarHBondContact O-N 3.01Å; Q74-K76 VanDerWaalsContact C-N 3.29Å
77L98.5Very high97Very high9 Ų967.6 Ų67.65%0.04734%0.336CS..PPolyproline II helixtrans-82.5148.6173.1-76.2169.9000110.1I44 L47 A48 Y51 I59 V72 R75 L79I44-L77 HydrophobicContact CG2-CD1 3.77Å; L47-L77 HydrophobicContact CB-CD1 3.95Å; L47-L77 HydrophobicContact CB-CD2 4.38Å; A48-L77 HydrophobicContact CB-CD1 4.14Å; A48-L77 HydrophobicContact CB-CD2 4.49Å; A48-L77 HydrophobicContact CB-CG 4.22Å; Y51-L77 HydrophobicContact CD1-CD2 4.23Å; Y51-L77 HydrophobicContact CG-CD2 3.95Å; I59-L77 HydrophobicContact CD1-CD2 4.12Å; V72-L77 HydrophobicContact CG1-CB 3.91Å; V72-L77 PolarHBondContact O-N 3.18Å; V72-L77 VanDerWaalsContact O-N 3.13Å; R75-L77 HydrophobicContact CB-CD1 4.37Å; R75-L77 HydrophobicContact CB-CG 4.42Å; R75-L77 PolarHBondContact O-N 3.33Å; L77-L79 PolarHBondContact O-N 2.98Å; L77-L79 VanDerWaalsContact O-N 3.17Å
78P98.4Very high97.1Very high39 Ų3962.5 Ų62.525%0.25331%0.312SS..PPolyproline II helixtrans-60.4119.9174.2-22.334.2000110.7Y51 I59 C61Y51-P78 HydrophobicContact CE1-CG 4.29Å; Y51-P78 HydrophobicContact CE2-CG 4.02Å; Y51-P78 WeakPolarHBondContact OH-CG 3.25Å; I59-P78 VanDerWaalsContact O-CB 3.25Å; I59-P78 WeakPolarHBondContact O-CB 3.06Å; I59-P78 VanDerWaalsContact O-CG 3.27Å; I59-P78 WeakPolarHBondContact O-CG 3.5Å; C61-P78 PolarHBondContact N-O 3.35Å
79L98.5Very high97.1Very high68 Ų6864.6 Ų64.636%0.35632%0.323SS..BIsolated β-bridgetrans-92.7134.9-179.1178.869.9000110.1P63 R69 V72 I73 L77P63-L79 HydrophobicContact CG-CD1 3.91Å; R69-L79 HydrophobicContact CG-CD1 4.19Å; R69-L79 HydrophobicContact CG-CD2 4.27Å; V72-L79 HydrophobicContact CB-CD1 4.35Å; V72-L79 HydrophobicContact CG1-CB 4.15Å; V72-L79 HydrophobicContact CG1-CD1 3.85Å; I73-L79 HydrophobicContact CD1-CD2 3.99Å; I73-L79 HydrophobicContact CG1-CD2 3.95Å; L77-L79 PolarHBondContact O-N 2.98Å; L77-L79 VanDerWaalsContact O-N 3.17Å
80G98Very high97.2Very high8 Ų859.6 Ų59.68%0.08231%0.305CS..  trans-128.6175.2169.300000112.5C61 P63C61-G80 PolarHBondContact O-N 2.94Å; P63-G80 WeakPolarHBondContact CD-O 3.27Å
81D97.1Very high97.2Very high75 Ų7557.3 Ų57.340%0.40129%0.289SS..  trans-135.9174.1172.856.749.2000110D83 C84 Y85D81-D83 VanDerWaalsContact C-N 3.3Å; D81-D83 PolarHBondContact O-N 2.94Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D81-D83 VanDerWaalsContact OD1-N 3.09Å; D81-C84 WeakPolarHBondContact OD1-CB 3.22Å; D81-C84 PolarHBondContact OD1-N 2.94Å; D81-C84 PolarHBondContact OD1-SG 2.89Å; D81-C84 VanDerWaalsContact OD1-SG 3.35Å; D81-Y85 WeakPolarHBondContact O-CA 3.46Å; D81-Y85 WeakPolarHBondContact O-CB 3.45Å; D81-Y85 PolarHBondContact O-N 2.84Å
82L95.7Very high97.3Very high35 Ų3556.4 Ų56.418%0.18328%0.283CS..THydrogen-bonded Turntrans-75.4-17.3-178.1-64.7178000113.6V62 Y85 P86 L88 L117 V118 C121V62-L82 HydrophobicContact CG1-CD2 3.9Å; V62-L82 HydrophobicContact CG1-CG 4.22Å; L82-Y85 CarbonylContact O-C 3.56Å; L82-P86 WeakPolarHBondContact O-CA 3.37Å; L82-P86 WeakPolarHBondContact O-CB 3.42Å; L82-P86 WeakPolarHBondContact O-CD 3.32Å; L82-P86 VanDerWaalsContact O-N 3.14Å; L82-L88 HydrophobicContact CD2-CD1 3.88Å; L82-L117 HydrophobicContact CD1-CD1 4.45Å; L82-L117 HydrophobicContact CD1-CD2 3.89Å; L82-L117 HydrophobicContact CD1-CG 3.67Å; L82-V118 HydrophobicContact CD1-CG2 4.11Å; L82-V118 HydrophobicContact CD2-CG2 4.49Å; L82-V118 HydrophobicContact CG-CG2 4.44Å; L82-C121 HydrophobicContact CD2-CB 3.86Å
83D94.3Very high97.2Very high139 Ų13956.4 Ų56.474%0.74328%0.284SS*.THydrogen-bonded Turntrans-74.3-41.2176.7-64.7-22.7000109.8D81D81-D83 VanDerWaalsContact C-N 3.3Å; D81-D83 PolarHBondContact O-N 2.94Å; D81-D83 PolarHBondContact OD1-N 2.92Å; D81-D83 VanDerWaalsContact OD1-N 3.09Å
84C95.1Very high97.2Very high82 Ų8253 Ų5355%0.55427%0.268SS*.THydrogen-bonded Turntrans-81.7-31.9176.5-62.10000112.3D81D81-C84 WeakPolarHBondContact OD1-CB 3.22Å; D81-C84 PolarHBondContact OD1-N 2.94Å; D81-C84 PolarHBondContact OD1-SG 2.89Å; D81-C84 VanDerWaalsContact OD1-SG 3.35Å
85Y95Very high97.2Very high89 Ų8946.6 Ų46.635%0.34924%0.24SC..  trans-133.772.7-176.5-56.2-88.4000111.2V31 V60 D81 L82 L87 L88V31-Y85 HydrophobicContact CG1-CD1 4.08Å; V31-Y85 HydrophobicContact CG1-CG 4.02Å; V31-Y85 HydrophobicContact CG2-CD1 3.66Å; V31-Y85 HydrophobicContact CG2-CE1 4.24Å; V31-Y85 HydrophobicContact CG2-CG 4.44Å; V60-Y85 HydrophobicContact CB-CE1 4.37Å; V60-Y85 HydrophobicContact CG1-CD1 4.44Å; V60-Y85 HydrophobicContact CG1-CD2 3.85Å; V60-Y85 HydrophobicContact CG1-CE1 4.25Å; V60-Y85 HydrophobicContact CG1-CE2 3.66Å; V60-Y85 HydrophobicContact CG1-CG 4.24Å; V60-Y85 HydrophobicContact CG2-CE1 3.88Å; V60-Y85 HydrophobicContact CG2-CE2 4.42Å; D81-Y85 WeakPolarHBondContact O-CA 3.46Å; D81-Y85 WeakPolarHBondContact O-CB 3.45Å; D81-Y85 PolarHBondContact O-N 2.84Å; L82-Y85 CarbonylContact O-C 3.56Å; Y85-L87 PolarHBondContact O-N 3.15Å; Y85-L88 WeakPolarHBondContact O-CD1 3.35Å
86P94.3Very high97.2Very high42 Ų4242.4 Ų42.427%0.27323%0.227SC..SBendtrans-72.2-14.3-176.927.8-36000114L82 C121L82-P86 WeakPolarHBondContact O-CA 3.37Å; L82-P86 WeakPolarHBondContact O-CB 3.42Å; L82-P86 WeakPolarHBondContact O-CD 3.32Å; L82-P86 VanDerWaalsContact O-N 3.14Å; P86-C121 VanDerWaalsContact O-CB 3.28Å; P86-C121 WeakPolarHBondContact O-CB 3.2Å; P86-C121 PolarHBondContact O-SG 3.09Å
87L95.5Very high97.2Very high14 Ų1433.8 Ų33.87%0.07319%0.19CC..SBendtrans-122.2120.8177.5-62.4-175.5000110.3Y85 L253 R255 M258Y85-L87 PolarHBondContact O-N 3.15Å; L87-L253 HydrophobicContact CD1-CB 4.03Å; L87-L253 HydrophobicContact CD2-CB 3.83Å; L87-L253 HydrophobicContact CD2-CD1 4.14Å; L87-R255 HydrophobicContact CB-CG 3.86Å; L87-R255 HydrophobicContact CD1-CB 4.21Å; L87-R255 HydrophobicContact CD1-CG 3.51Å; L87-R255 HydrophobicContact CG-CG 4.28Å; L87-R255 PolarHBondContact O-NE 2.94Å; L87-R255 PolarHBondContact O-NH2 3.18Å; L87-M258 HydrophobicContact CD1-CG 4.47Å; L87-M258 HydrophobicContact CD1-SD 3.36Å; L87-M258 WeakPolarHBondContact CD1-SD 3.38Å; L87-M258 HydrophobicContact CD2-SD 4.04Å; L87-M258 HydrophobicContact CG-SD 3.71Å
88L97.7Very high97.2Very high5 Ų533.4 Ų33.43%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-107148-178.2-78.857.5000110.3V31 V62 L82 Y85 V118 C121 A122 K123V31-L88 HydrophobicContact CG1-CD1 4.13Å; V31-L88 HydrophobicContact CG1-CG 3.85Å; V62-L88 HydrophobicContact CB-CD2 4.1Å; V62-L88 HydrophobicContact CG1-CD2 4.44Å; V62-L88 HydrophobicContact CG2-CD1 4.29Å; V62-L88 HydrophobicContact CG2-CD2 4.4Å; V62-L88 HydrophobicContact CG2-CG 4.38Å; L82-L88 HydrophobicContact CD2-CD1 3.88Å; Y85-L88 WeakPolarHBondContact O-CD1 3.35Å; L88-V118 HydrophobicContact CD2-CG1 3.57Å; L88-C121 HydrophobicContact CD1-CB 4.02Å; L88-C121 PolarHBondContact N-O 3.17Å; L88-A122 HydrophobicContact CB-CB 3.82Å; L88-A122 CarbonylContact O-C 3.48Å; L88-A122 WeakPolarHBondContact O-CA 3.38Å; L88-K123 PolarHBondContact O-N 3.26Å
89D97.9Very high97.1Very high46 Ų4631.8 Ų31.825%0.24618%0.177CC..EExtended strand (participates in β ladder)trans-75.7-40.2177.3-63.4-72.7000110.8Q30 V31 K123 Y124 R255Q30-D89 WeakPolarHBondContact CA-OD2 3.32Å; Q30-D89 HydrophobicContact CB-CB 4.12Å; Q30-D89 HydrophobicContact CG-CB 4.05Å; V31-D89 PolarHBondContact N-OD2 2.85Å; V31-D89 PolarHBondContact O-N 3.17Å; D89-K123 WeakPolarHBondContact O-CB 3.41Å; D89-Y124 PolarHBondContact O-N 3.32Å; D89-R255 VanDerWaalsContact CG-NH2 3.34Å; D89-R255 IonicContact OD1-CZ 3.49Å; D89-R255 IonicContact OD1-NH1 2.67Å; D89-R255 IonicContact OD1-NH2 2.69Å; D89-R255 IonicContact OD2-CZ 3.6Å; D89-R255 IonicContact OD2-NH1 3.79Å; D89-R255 PolarHBondContact OD2-NH1 3.39Å; D89-R255 IonicContact OD2-NH2 3.79Å; D89-R255 PolarHBondContact OD2-NH2 3.49Å
90L98.5Very high97Very high5 Ų533.4 Ų33.43%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-156162.2175.562.694.4000111.5H25 V26 I32 G33 I92 Y124 Y126H25-L90 HydrophobicContact CB-CD2 4.19Å; H25-L90 WeakPolarHBondContact O-CD2 3.44Å; V26-L90 HydrophobicContact CG2-CD1 4.31Å; V26-L90 HydrophobicContact CG2-CD2 4.39Å; I32-L90 CarbonylContact C-O 3.58Å; I32-L90 WeakPolarHBondContact CA-O 3.36Å; I32-L90 HydrophobicContact CG1-CD1 4.47Å; I32-L90 HydrophobicContact CG2-CD1 3.7Å; G33-L90 PolarHBondContact N-O 3.06Å; L90-I92 HydrophobicContact CD1-CD1 3.68Å; L90-I92 HydrophobicContact CD1-CG1 3.42Å; L90-I92 VanDerWaalsContact CD1-CG1 3.42Å; L90-Y124 CarbonylContact C-O 3.6Å; L90-Y124 WeakPolarHBondContact CA-O 3.36Å; L90-Y126 HydrophobicContact CB-CD2 4.36Å; L90-Y126 HydrophobicContact CB-CE2 4.04Å; L90-Y126 HydrophobicContact CD1-CD2 4.43Å; L90-Y126 HydrophobicContact CD2-CE2 4.31Å
91C98.7Very high97Very high0 Ų038.7 Ų38.70%021%0.207CC..EExtended strand (participates in β ladder)trans-125.5136.2169.6-175.90000109G33 A122 Y124 F125 Y126G33-C91 CarbonylContact O-C 3.54Å; G33-C91 WeakPolarHBondContact O-CA 3.34Å; C91-A122 HydrophobicContact CB-CB 3.74Å; C91-Y124 PolarHBondContact N-O 3.5Å; C91-F125 HydrophobicContact CB-CD2 4.18Å; C91-F125 WeakPolarHBondContact O-CA 3.47Å; C91-F125 WeakPolarHBondContact O-CD2 3.33Å; C91-Y126 PolarHBondContact O-N 3.42Å
92I98.8Very high97Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.8122.9175.1-48.9176.1000108.8V22 V26 G33 G35 V43 L90 Y126 V128V22-I92 HydrophobicContact CG2-CD1 4.25Å; V26-I92 HydrophobicContact CG2-CD1 3.81Å; G33-I92 PolarHBondContact O-N 3.36Å; G35-I92 PolarHBondContact N-O 2.92Å; V43-I92 HydrophobicContact CG1-CB 4.08Å; V43-I92 HydrophobicContact CG1-CD1 4.07Å; V43-I92 HydrophobicContact CG1-CG2 4.11Å; V43-I92 HydrophobicContact CG2-CB 4.47Å; V43-I92 HydrophobicContact CG2-CG2 3.68Å; L90-I92 HydrophobicContact CD1-CD1 3.68Å; L90-I92 HydrophobicContact CD1-CG1 3.42Å; L90-I92 VanDerWaalsContact CD1-CG1 3.42Å; I92-Y126 WeakPolarHBondContact CA-O 3.38Å; I92-Y126 HydrophobicContact CG1-CD2 4.41Å; I92-V128 HydrophobicContact CG2-CB 4.49Å; I92-V128 HydrophobicContact CG2-CG1 3.7Å; I92-V128 HydrophobicContact CG2-CG2 3.95Å
93D98.1Very high97.1Very high1 Ų133.9 Ų33.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-149.5163.4-178.1-158-5.2000112G35 S36 K106 E115 F125 Y126 V127 V128G35-D93 WeakPolarHBondContact CA-OD1 3.41Å; S36-D93 PolarHBondContact N-OD1 3.38Å; S36-D93 VanDerWaalsContact N-OD1 3.17Å; D93-K106 IonicContact OD1-NZ 3.59Å; D93-K106 IonicContact OD2-NZ 3.5Å; D93-K106 PolarHBondContact OD2-NZ 2.93Å; D93-E115 WeakPolarHBondContact OD2-CG 3.25Å; D93-F125 HydrophobicContact CB-CE2 3.78Å; D93-F125 HydrophobicContact CB-CZ 4.31Å; D93-Y126 PolarHBondContact N-O 3.41Å; D93-V127 CarbonylContact O-C 3.51Å; D93-V127 WeakPolarHBondContact O-CA 3.35Å; D93-V128 PolarHBondContact O-N 3.01Å
94G97.4Very high97.3Very high10 Ų1027.3 Ų27.310%0.10315%0.147CC..  trans-80.2173.317100000113.4K106 V128G94-K106 PolarHBondContact O-NZ 3.12Å; G94-V128 VanDerWaalsContact CA-O 3.32Å; G94-V128 WeakPolarHBondContact CA-O 3.4Å
95A97.9Very high97.4Very high11 Ų1123.4 Ų23.49%0.09112%0.12CC..  trans-140.6155.317200000111.5V98 C104 K106 V127 K133A95-V98 HydrophobicContact CB-CG2 3.54Å; A95-C104 HydrophobicContact CB-CB 4.07Å; A95-K106 HydrophobicContact CB-CG 4.11Å; A95-V127 HydrophobicContact CB-CG1 3.79Å; A95-K133 WeakPolarHBondContact O-CD 3.08Å
96D97.7Very high97.6Very high31 Ų3119.4 Ų19.417%0.16611%0.105CC..SBendtrans-82.1-31176-70.6-55.1000112.4I105 K106 G107 G108 K133 W142D96-I105 WeakPolarHBondContact CA-O 3.03Å; D96-I105 WeakPolarHBondContact CB-O 3.08Å; D96-I105 PolarHBondContact N-O 3.44Å; D96-K106 WeakPolarHBondContact OD2-CA 3.43Å; D96-G107 PolarHBondContact OD2-N 2.78Å; D96-G107 VanDerWaalsContact OD2-N 3.08Å; D96-G108 WeakPolarHBondContact OD2-CA 3.26Å; D96-G108 PolarHBondContact OD2-N 3.08Å; D96-K133 WeakPolarHBondContact O-CD 3.45Å; D96-K133 PolarHBondContact O-NZ 3.47Å; D96-K133 VanDerWaalsContact O-NZ 3.09Å; D96-K133 IonicContact OD1-NZ 3.65Å; D96-W142 HydrophobicContact CB-CD2 3.77Å; D96-W142 HydrophobicContact CB-CE3 3.71Å; D96-W142 HydrophobicContact CB-CG 4.49Å; D96-W142 HydrophobicContact CB-CH2 3.73Å; D96-W142 HydrophobicContact CB-CZ2 3.79Å; D96-W142 HydrophobicContact CB-CZ3 3.7Å; D96-W142 VanDerWaalsContact CG-CH2 3.48Å; D96-W142 WeakPolarHBondContact OD1-CH2 3.45Å
97E97.9Very high97.7Very high1 Ų117.4 Ų17.41%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-155.9147.1168.4-175.7168.9-134.800109.8C104 I105 K133 S135 L138 G139 D140 R141 W142E97-C104 CarbonylContact O-C 3.56Å; E97-C104 VanDerWaalsContact O-CA 3.25Å; E97-C104 WeakPolarHBondContact O-CA 3.31Å; E97-I105 HydrophobicContact CB-CB 4.33Å; E97-I105 PolarHBondContact N-O 3.43Å; E97-I105 PolarHBondContact O-N 3.38Å; E97-K133 CarbonylContact C-O 3.56Å; E97-K133 WeakPolarHBondContact CA-O 3.38Å; E97-S135 WeakPolarHBondContact OE1-CB 3.46Å; E97-S135 PolarHBondContact OE1-OG 2.87Å; E97-L138 HydrophobicContact CB-CD2 4.36Å; E97-L138 HydrophobicContact CG-CD2 4.03Å; E97-G139 PolarHBondContact OE2-N 3.05Å; E97-D140 PolarHBondContact OE1-N 2.7Å; E97-R141 WeakPolarHBondContact OE1-CA 3.38Å; E97-R141 WeakPolarHBondContact OE1-CB 3.29Å; E97-R141 PolarHBondContact OE1-N 3.3Å; E97-W142 HydrophobicContact CB-CB 3.78Å; E97-W142 HydrophobicContact CG-CB 4.44Å; E97-W142 PolarHBondContact OE1-N 2.87Å; E97-W142 VanDerWaalsContact OE2-CB 3.3Å; E97-W142 WeakPolarHBondContact OE2-CB 3.35Å; E97-W142 PolarHBondContact OE2-N 3.1Å
98V98.4Very high97.6Very high0 Ų018.1 Ų18.10%010%0.102CC..EExtended strand (participates in β ladder)trans-133.9129.5176.3-170.50000108.8A95 L102 N103 V127 K133 S135 A230 F232A95-V98 HydrophobicContact CB-CG2 3.54Å; V98-L102 HydrophobicContact CG1-CD2 4.31Å; V98-N103 WeakPolarHBondContact CA-O 3.39Å; V98-V127 HydrophobicContact CG2-CG1 3.83Å; V98-K133 PolarHBondContact N-O 3.14Å; V98-S135 PolarHBondContact O-N 2.96Å; V98-A230 HydrophobicContact CG1-CB 4.3Å; V98-F232 HydrophobicContact CB-CE1 4.1Å; V98-F232 HydrophobicContact CB-CZ 3.79Å; V98-F232 HydrophobicContact CG1-CZ 3.94Å; V98-F232 HydrophobicContact CG2-CE1 4.14Å; V98-F232 HydrophobicContact CG2-CZ 4.16Å
99D97.3Very high97.5Very high5 Ų520.9 Ų20.93%0.02713%0.132CC..  trans-90.7178.5174.775.910.1000113.2E101 L102 N103 S135 L138D99-E101 PolarHBondContact O-N 3.31Å; D99-E101 WeakPolarHBondContact OD1-CA 3.11Å; D99-E101 PolarHBondContact OD1-N 3.06Å; D99-L102 PolarHBondContact O-N 3.41Å; D99-L102 VanDerWaalsContact O-N 3.13Å; D99-L102 PolarHBondContact OD1-N 2.89Å; D99-N103 PolarHBondContact N-O 3.48Å; D99-N103 WeakPolarHBondContact OD1-CB 3.23Å; D99-N103 PolarHBondContact OD1-N 3.05Å; D99-N103 PolarHBondContact OD1-ND2 2.74Å; D99-N103 WeakPolarHBondContact OD2-CB 3.42Å; D99-N103 PolarHBondContact OD2-ND2 2.92Å; D99-S135 WeakPolarHBondContact CA-O 3.48Å; D99-L138 HydrophobicContact CB-CD2 4.08Å; D99-L138 HydrophobicContact CB-CG 4Å
100I96.8Very high97.4Very high103 Ų10318.9 Ų18.953%0.52812%0.122SC..THydrogen-bonded Turntrans-66.5-21.6-18062.1177.8000113.8L102 N136I100-L102 VanDerWaalsContact C-N 3.26Å; I100-N136 WeakPolarHBondContact CG1-O 3.4Å
101E96.1Very high97.3Very high119 Ų11919.4 Ų19.456%0.55613%0.126SC*.THydrogen-bonded Turntrans-88.32.4177.6-60.3-169.4136.300112.2D99 N103 R248D99-E101 PolarHBondContact O-N 3.31Å; D99-E101 WeakPolarHBondContact OD1-CA 3.11Å; D99-E101 PolarHBondContact OD1-N 3.06Å; E101-N103 VanDerWaalsContact C-N 3.27Å; E101-N103 PolarHBondContact OE2-ND2 3.13Å; E101-R248 PolarHBondContact O-NH1 2.91Å; E101-R248 PolarHBondContact O-NH2 3.34Å
102L98.1Very high97.2Very high1 Ų119.4 Ų19.41%0.00513%0.126CC..  trans65.423.2-173.4-55.5173.5000114.1V98 D99 I100 A227 A230 L242 A244V98-L102 HydrophobicContact CG1-CD2 4.31Å; D99-L102 PolarHBondContact O-N 3.41Å; D99-L102 VanDerWaalsContact O-N 3.13Å; D99-L102 PolarHBondContact OD1-N 2.89Å; I100-L102 VanDerWaalsContact C-N 3.26Å; L102-A227 HydrophobicContact CB-CB 3.91Å; L102-A227 WeakPolarHBondContact CD1-O 3.24Å; L102-A230 HydrophobicContact CD2-CB 3.48Å; L102-A230 VanDerWaalsContact CD2-CB 3.48Å; L102-L242 HydrophobicContact CD2-CB 3.58Å; L102-L242 HydrophobicContact CD2-CD1 4.3Å; L102-L242 HydrophobicContact CG-CB 4.5Å; L102-A244 HydrophobicContact CD1-CB 3.99Å
103N97.6Very high97.2Very high8 Ų820.6 Ų20.64%0.04313%0.134CC..  trans-72.9142.1165.2-54-51.4000108.5V98 D99 E101 L138 I224 G225V98-N103 WeakPolarHBondContact CA-O 3.39Å; D99-N103 PolarHBondContact N-O 3.48Å; D99-N103 WeakPolarHBondContact OD1-CB 3.23Å; D99-N103 PolarHBondContact OD1-N 3.05Å; D99-N103 PolarHBondContact OD1-ND2 2.74Å; D99-N103 WeakPolarHBondContact OD2-CB 3.42Å; D99-N103 PolarHBondContact OD2-ND2 2.92Å; E101-N103 VanDerWaalsContact C-N 3.27Å; E101-N103 PolarHBondContact OE2-ND2 3.13Å; N103-L138 HydrophobicContact CB-CD1 3.67Å; N103-L138 HydrophobicContact CB-CG 4.23Å; N103-L138 WeakPolarHBondContact O-CD2 3.48Å; N103-I224 HydrophobicContact CB-CD1 3.8Å; N103-I224 WeakPolarHBondContact OD1-CG2 3.46Å; N103-G225 PolarHBondContact OD1-N 2.88Å
104C98.4Very high97.2Very high1 Ų123.1 Ų23.11%0.00715%0.145CC..EExtended strand (participates in β ladder)trans-121.5143-177.9-54.40000111.8A95 E97 K106 F223A95-C104 HydrophobicContact CB-CB 4.07Å; E97-C104 CarbonylContact O-C 3.56Å; E97-C104 VanDerWaalsContact O-CA 3.25Å; E97-C104 WeakPolarHBondContact O-CA 3.31Å; C104-K106 HydrophobicContact CB-CD 4.47Å; C104-K106 HydrophobicContact CB-CG 4.46Å; C104-F223 HydrophobicContact CB-CB 4.09Å; C104-F223 PolarHBondContact N-O 3.07Å; C104-F223 PolarHBondContact O-N 3.44Å
105I98.3Very high97.2Very high0 Ų023.1 Ų23.10%014%0.143CC..EExtended strand (participates in β ladder)trans-95.3130.9154.7-60.9167.1000107.7D96 E97 L138 W142 I145 G221 L222D96-I105 WeakPolarHBondContact CA-O 3.03Å; D96-I105 WeakPolarHBondContact CB-O 3.08Å; D96-I105 PolarHBondContact N-O 3.44Å; E97-I105 HydrophobicContact CB-CB 4.33Å; E97-I105 PolarHBondContact N-O 3.43Å; E97-I105 PolarHBondContact O-N 3.38Å; I105-L138 HydrophobicContact CD1-CB 4.08Å; I105-L138 HydrophobicContact CD1-CD2 4.2Å; I105-L138 HydrophobicContact CG1-CB 4.43Å; I105-L138 HydrophobicContact CG1-CD1 4.05Å; I105-L138 HydrophobicContact CG1-CD2 3.94Å; I105-L138 HydrophobicContact CG1-CG 4.36Å; I105-W142 HydrophobicContact CD1-CB 4.36Å; I105-W142 VanDerWaalsContact CG2-CD1 3.49Å; I105-W142 HydrophobicContact CG2-CG 4.24Å; I105-I145 HydrophobicContact CD1-CD1 3.52Å; I105-I145 HydrophobicContact CG1-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CD1 4.17Å; I105-G221 CarbonylContact C-O 3.56Å; I105-G221 VanDerWaalsContact CA-O 3.31Å; I105-G221 WeakPolarHBondContact CA-O 3.37Å; I105-L222 HydrophobicContact CG1-CD2 4.35Å
106K98Very high97.2Very high4 Ų422.9 Ų22.92%0.01714%0.14CC..  trans-135.3168175.4-75.7169.562.857.60109.5D93 G94 A95 D96 C104 E115 P146 G221 F223D93-K106 IonicContact OD1-NZ 3.59Å; D93-K106 IonicContact OD2-NZ 3.5Å; D93-K106 PolarHBondContact OD2-NZ 2.93Å; G94-K106 PolarHBondContact O-NZ 3.12Å; A95-K106 HydrophobicContact CB-CG 4.11Å; D96-K106 WeakPolarHBondContact OD2-CA 3.43Å; C104-K106 HydrophobicContact CB-CD 4.47Å; C104-K106 HydrophobicContact CB-CG 4.46Å; K106-E115 WeakPolarHBondContact CE-OE2 3.43Å; K106-E115 IonicContact NZ-OE1 3.87Å; K106-E115 IonicContact NZ-OE2 2.79Å; K106-E115 PolarHBondContact NZ-OE2 2.82Å; K106-P146 WeakPolarHBondContact O-CG 3.46Å; K106-G221 PolarHBondContact N-O 2.76Å; K106-G221 WeakPolarHBondContact O-CA 3.37Å; K106-F223 HydrophobicContact CB-CD2 3.76Å; K106-F223 HydrophobicContact CB-CE2 3.49Å; K106-F223 VanDerWaalsContact CB-CE2 3.49Å; K106-F223 HydrophobicContact CB-CZ 4.13Å; K106-F223 HydrophobicContact CD-CD1 4.02Å; K106-F223 HydrophobicContact CD-CD2 3.88Å; K106-F223 HydrophobicContact CD-CE1 4.01Å; K106-F223 HydrophobicContact CD-CE2 3.95Å; K106-F223 HydrophobicContact CD-CG 3.93Å; K106-F223 HydrophobicContact CD-CZ 3.97Å; K106-F223 HydrophobicContact CG-CD2 4.18Å; K106-F223 HydrophobicContact CG-CE2 4.23Å
107G96.5Very high97.2Very high1 Ų125.3 Ų25.31%0.0115%0.152CC..  trans107.39.5177.200000115D96 G109 G110 R172D96-G107 PolarHBondContact OD2-N 2.78Å; D96-G107 VanDerWaalsContact OD2-N 3.08Å; G107-G109 PolarHBondContact O-N 2.74Å; G107-G110 PolarHBondContact O-N 3.19Å; G107-G110 VanDerWaalsContact O-N 3.08Å; G107-R172 PolarHBondContact O-NH1 3.28Å; G107-R172 PolarHBondContact O-NH2 2.88Å; G107-R172 VanDerWaalsContact O-NH2 3.09Å
108G94.5Very high97.2Very high28 Ų2825.4 Ų25.429%0.28915%0.153SC..SBendtrans-57.5-34.2166.700000112.1D96 R172D96-G108 WeakPolarHBondContact OD2-CA 3.26Å; D96-G108 PolarHBondContact OD2-N 3.08Å; G108-R172 PolarHBondContact O-NH1 2.89Å; G108-R172 VanDerWaalsContact O-NH1 3.08Å
109G94.7Very high97.2Very high63 Ų6325.4 Ų25.465%0.64915%0.153SC*.SBendtrans-82.8-15.3172.700000115.4G107G107-G109 PolarHBondContact O-N 2.74Å
110G95.8Very high97.2Very high4 Ų427.2 Ų27.24%0.04117%0.166CC..SBendtrans80.321.7-177.500000115.7G107 Q112 T183G107-G110 PolarHBondContact O-N 3.19Å; G107-G110 VanDerWaalsContact O-N 3.08Å; G110-Q112 VanDerWaalsContact C-OE1 3.28Å; G110-T183 WeakPolarHBondContact O-CG2 3.36Å
111C96.5Very high97.2Very high16 Ų1623.1 Ų23.111%0.10815%0.146CC..  trans-109.28.1-179.3-56.90000113.2S65 T113 Q114 E115S65-C111 VanDerWaalsContact CB-SG 3.56Å; C111-T113 PolarHBondContact O-N 2.91Å; C111-T113 VanDerWaalsContact O-N 3.07Å; C111-Q114 PolarHBondContact O-N 3.39Å; C111-Q114 VanDerWaalsContact O-N 3.12Å; C111-E115 HydrophobicContact CB-CG 4.12Å; C111-E115 VanDerWaalsContact O-CG 3.31Å; C111-E115 WeakPolarHBondContact O-CG 3.43Å; C111-E115 PolarHBondContact O-N 3Å
112Q97.3Very high97.3Very high0 Ų017.5 Ų17.50%012%0.12CC..Hα-helixtrans-58-31.6-166.165-85.321.900114.5G110 K116 F223G110-Q112 VanDerWaalsContact C-OE1 3.28Å; Q112-K116 VanDerWaalsContact O-CB 3.31Å; Q112-K116 WeakPolarHBondContact O-CB 3.22Å; Q112-K116 PolarHBondContact O-N 2.85Å; Q112-F223 HydrophobicContact CB-CE2 4.03Å; Q112-F223 HydrophobicContact CB-CZ 4.21Å; Q112-F223 WeakPolarHBondContact O-CZ 3.46Å
113T98.1Very high97.3Very high26 Ų2621.6 Ų21.616%0.1614%0.138CC..Hα-helixtrans-68.1-48.7178.8-57.10000111.3C111 K116 L117 E148 V218 E219C111-T113 PolarHBondContact O-N 2.91Å; C111-T113 VanDerWaalsContact O-N 3.07Å; T113-K116 PolarHBondContact O-N 2.83Å; T113-L117 WeakPolarHBondContact O-CB 3.47Å; T113-L117 PolarHBondContact O-N 2.77Å; T113-E148 WeakPolarHBondContact CB-OE2 3.37Å; T113-E148 PolarHBondContact OG1-OE2 2.91Å; T113-V218 HydrophobicContact CG2-CG1 4.03Å; T113-E219 HydrophobicContact CG2-CB 4.24Å; T113-E219 WeakPolarHBondContact OG1-CB 3.33Å
114Q97.7Very high97.3Very high53 Ų5323.4 Ų23.425%0.24814%0.144CC..Hα-helixtrans-67.3-39.3178.1-70.7-70-12.600111.1T64 C111 K116 L117 V118 N185T64-Q114 WeakPolarHBondContact O-CB 3.49Å; C111-Q114 PolarHBondContact O-N 3.39Å; C111-Q114 VanDerWaalsContact O-N 3.12Å; Q114-K116 PolarHBondContact O-N 3.42Å; Q114-L117 PolarHBondContact O-N 2.89Å; Q114-V118 WeakPolarHBondContact O-CG2 3.39Å; Q114-V118 PolarHBondContact O-N 2.78Å; Q114-N185 PolarHBondContact NE2-OD1 2.79Å
115E98.1Very high97.3Very high10 Ų1023.4 Ų23.45%0.04714%0.144CC..Hα-helixtrans-56.6-49171.7-68.1172.717400111.9S36 T64 D93 K106 C111 M119 F223S36-E115 PolarHBondContact OG-OE1 2.55Å; T64-E115 HydrophobicContact CG2-CG 4.47Å; D93-E115 WeakPolarHBondContact OD2-CG 3.25Å; K106-E115 WeakPolarHBondContact CE-OE2 3.43Å; K106-E115 IonicContact NZ-OE1 3.87Å; K106-E115 IonicContact NZ-OE2 2.79Å; K106-E115 PolarHBondContact NZ-OE2 2.82Å; C111-E115 HydrophobicContact CB-CG 4.12Å; C111-E115 VanDerWaalsContact O-CG 3.31Å; C111-E115 WeakPolarHBondContact O-CG 3.43Å; C111-E115 PolarHBondContact O-N 3Å; E115-M119 WeakPolarHBondContact O-CB 3.34Å; E115-M119 PolarHBondContact O-N 2.83Å; E115-F223 HydrophobicContact CB-CE1 4.38Å; E115-F223 HydrophobicContact CB-CZ 4.13Å
116K98Very high97.3Very high7 Ų724 Ų243%0.0315%0.147CC..Hα-helixtrans-68.6-37.3-179.8-159.6171.9-58.7-176.90112.4Q112 T113 Q114 M119 S120 E219 T220 L222 F223Q112-K116 VanDerWaalsContact O-CB 3.31Å; Q112-K116 WeakPolarHBondContact O-CB 3.22Å; Q112-K116 PolarHBondContact O-N 2.85Å; T113-K116 PolarHBondContact O-N 2.83Å; Q114-K116 PolarHBondContact O-N 3.42Å; K116-M119 PolarHBondContact O-N 2.87Å; K116-S120 VanDerWaalsContact O-CB 3.28Å; K116-S120 WeakPolarHBondContact O-CB 3.31Å; K116-S120 PolarHBondContact O-N 2.92Å; K116-S120 PolarHBondContact O-OG 3.09Å; K116-E219 HydrophobicContact CD-CG 4.05Å; K116-E219 VanDerWaalsContact NZ-CD 3.27Å; K116-E219 IonicContact NZ-OE1 2.78Å; K116-E219 PolarHBondContact NZ-OE1 3.4Å; K116-T220 PolarHBondContact NZ-O 2.8Å; K116-L222 PolarHBondContact NZ-O 3.34Å; K116-F223 HydrophobicContact CB-CD1 4.41Å; K116-F223 HydrophobicContact CB-CE1 3.54Å; K116-F223 HydrophobicContact CB-CZ 3.71Å; K116-F223 HydrophobicContact CD-CE1 4.4Å; K116-F223 HydrophobicContact CG-CD1 4.19Å; K116-F223 HydrophobicContact CG-CE1 3.8Å; K116-F223 HydrophobicContact CG-CZ 4.26Å
117L97.6Very high97.4Very high82 Ų8223.9 Ų23.943%0.42915%0.146SC..Hα-helixtrans-60.1-56.8176.5-179.563.1000111.1L82 T113 Q114 M119 S120 C121L82-L117 HydrophobicContact CD1-CD1 4.45Å; L82-L117 HydrophobicContact CD1-CD2 3.89Å; L82-L117 HydrophobicContact CD1-CG 3.67Å; T113-L117 WeakPolarHBondContact O-CB 3.47Å; T113-L117 PolarHBondContact O-N 2.77Å; Q114-L117 PolarHBondContact O-N 2.89Å; L117-M119 VanDerWaalsContact C-N 3.31Å; L117-M119 PolarHBondContact O-N 2.84Å; L117-S120 PolarHBondContact O-N 3.47Å; L117-S120 VanDerWaalsContact O-N 3.12Å; L117-S120 PolarHBondContact O-OG 3.19Å; L117-C121 PolarHBondContact O-N 2.84Å
118V98.2Very high97.5Very high2 Ų223.8 Ų23.81%0.01215%0.145CC..Hα-helixtrans-60.9-41.8179.1175.50000111.2V62 T64 L82 L88 Q114 S120 C121 A122V62-V118 HydrophobicContact CB-CG1 4.43Å; V62-V118 HydrophobicContact CG1-CG1 3.98Å; V62-V118 HydrophobicContact CG1-CG2 4.16Å; T64-V118 HydrophobicContact CG2-CB 3.92Å; T64-V118 HydrophobicContact CG2-CG1 4.01Å; T64-V118 HydrophobicContact CG2-CG2 4.32Å; L82-V118 HydrophobicContact CD1-CG2 4.11Å; L82-V118 HydrophobicContact CD2-CG2 4.49Å; L82-V118 HydrophobicContact CG-CG2 4.44Å; L88-V118 HydrophobicContact CD2-CG1 3.57Å; Q114-V118 WeakPolarHBondContact O-CG2 3.39Å; Q114-V118 PolarHBondContact O-N 2.78Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 2.77Å; V118-C121 WeakPolarHBondContact O-CB 3.33Å; V118-C121 PolarHBondContact O-N 2.76Å; V118-C121 VanDerWaalsContact O-N 3.16Å; V118-A122 PolarHBondContact O-N 3.36Å
119M97.8Very high97.6Very high0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-62.2-37176.7-174.1-173.9-5500112.6E115 K116 L117 C121 A122 F125 F223 Y226 I250E115-M119 WeakPolarHBondContact O-CB 3.34Å; E115-M119 PolarHBondContact O-N 2.83Å; K116-M119 PolarHBondContact O-N 2.87Å; L117-M119 VanDerWaalsContact C-N 3.31Å; L117-M119 PolarHBondContact O-N 2.84Å; M119-C121 PolarHBondContact O-N 2.8Å; M119-A122 WeakPolarHBondContact O-CB 3.38Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.09Å; M119-F125 HydrophobicContact CE-CD1 3.73Å; M119-F125 HydrophobicContact CE-CD2 3.61Å; M119-F125 HydrophobicContact CE-CE1 3.46Å; M119-F125 VanDerWaalsContact CE-CE1 3.46Å; M119-F125 HydrophobicContact CE-CE2 3.37Å; M119-F125 HydrophobicContact CE-CG 3.82Å; M119-F125 HydrophobicContact CE-CZ 3.29Å; M119-F125 HydrophobicContact CG-CB 3.84Å; M119-F125 HydrophobicContact CG-CD1 4.21Å; M119-F125 HydrophobicContact CG-CD2 3.96Å; M119-F125 HydrophobicContact CG-CG 3.73Å; M119-F125 HydrophobicContact SD-CB 4.09Å; M119-F125 HydrophobicContact SD-CD1 3.33Å; M119-F125 WeakPolarHBondContact SD-CD1 3.47Å; M119-F125 HydrophobicContact SD-CD2 3.9Å; M119-F125 HydrophobicContact SD-CE1 3.65Å; M119-F125 HydrophobicContact SD-CE2 4.21Å; M119-F125 HydrophobicContact SD-CG 3.49Å; M119-F125 WeakPolarHBondContact SD-CG 3.25Å; M119-F125 HydrophobicContact SD-CZ 4.09Å; M119-F223 HydrophobicContact CE-CD1 3.59Å; M119-F223 HydrophobicContact CE-CE1 3.6Å; M119-F223 HydrophobicContact SD-CD1 3.66Å; M119-F223 HydrophobicContact SD-CE1 4.08Å; M119-Y226 HydrophobicContact CG-CD1 3.91Å; M119-Y226 HydrophobicContact SD-CD1 3.62Å; M119-Y226 HydrophobicContact SD-CE1 4.44Å; M119-Y226 HydrophobicContact SD-CG 3.78Å; M119-I250 HydrophobicContact CG-CD1 4.03Å
120S96.9Very high97.7Very high43 Ų4319.6 Ų19.630%0.30110%0.101SC..Hα-helixtrans-68-20.6177.276.60000113.7K116 L117 V118 N251K116-S120 VanDerWaalsContact O-CB 3.28Å; K116-S120 WeakPolarHBondContact O-CB 3.31Å; K116-S120 PolarHBondContact O-N 2.92Å; K116-S120 PolarHBondContact O-OG 3.09Å; L117-S120 PolarHBondContact O-N 3.47Å; L117-S120 VanDerWaalsContact O-N 3.12Å; L117-S120 PolarHBondContact O-OG 3.19Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-S120 PolarHBondContact O-N 2.77Å; S120-N251 WeakPolarHBondContact O-CB 3.25Å; S120-N251 PolarHBondContact O-ND2 2.8Å
121C97.3Very high97.7Very high18 Ų1822.1 Ų22.112%0.12211%0.112CC..THydrogen-bonded Turntrans-84-12.9173-68.50000112.8L82 P86 L88 L117 V118 M119L82-C121 HydrophobicContact CD2-CB 3.86Å; P86-C121 VanDerWaalsContact O-CB 3.28Å; P86-C121 WeakPolarHBondContact O-CB 3.2Å; P86-C121 PolarHBondContact O-SG 3.09Å; L88-C121 HydrophobicContact CD1-CB 4.02Å; L88-C121 PolarHBondContact N-O 3.17Å; L117-C121 PolarHBondContact O-N 2.84Å; V118-C121 WeakPolarHBondContact O-CB 3.33Å; V118-C121 PolarHBondContact O-N 2.76Å; V118-C121 VanDerWaalsContact O-N 3.16Å; M119-C121 PolarHBondContact O-N 2.8Å
122A98Very high97.7Very high0 Ų026.5 Ų26.50%013%0.126CC..EExtended strand (participates in β ladder)trans-87.3147.8-179.200000112.8L88 C91 V118 M119 I250 N251L88-A122 HydrophobicContact CB-CB 3.82Å; L88-A122 CarbonylContact O-C 3.48Å; L88-A122 WeakPolarHBondContact O-CA 3.38Å; C91-A122 HydrophobicContact CB-CB 3.74Å; V118-A122 PolarHBondContact O-N 3.36Å; M119-A122 WeakPolarHBondContact O-CB 3.38Å; M119-A122 PolarHBondContact O-N 3Å; M119-A122 VanDerWaalsContact O-N 3.09Å; A122-I250 WeakPolarHBondContact O-CB 3.27Å; A122-N251 WeakPolarHBondContact O-CB 3.38Å; A122-N251 PolarHBondContact O-N 3.37Å
123K97.7Very high97.7Very high88 Ų8828.6 Ų28.638%0.38314%0.136SC..EExtended strand (participates in β ladder)trans-68.8-44.8170.2-177.7-179.5-179.4179.10111.2L88 D89 K249 I250L88-K123 PolarHBondContact O-N 3.26Å; D89-K123 WeakPolarHBondContact O-CB 3.41Å; K123-K249 HydrophobicContact CG-CD 4.41Å; K123-K249 HydrophobicContact CG-CG 4.12Å; K123-K249 CarbonylContact O-C 3.58Å; K123-K249 VanDerWaalsContact O-CA 3.26Å; K123-K249 WeakPolarHBondContact O-CA 3.29Å; K123-I250 PolarHBondContact O-N 3.07Å
124Y98.4Very high97.7Very high46 Ų4630.8 Ų30.818%0.1814%0.143CC..EExtended strand (participates in β ladder)trans-124147.3179.3-68.8-64.2000112.9D89 L90 C91 Q228 D247 K249D89-Y124 PolarHBondContact O-N 3.32Å; L90-Y124 CarbonylContact C-O 3.6Å; L90-Y124 WeakPolarHBondContact CA-O 3.36Å; C91-Y124 PolarHBondContact N-O 3.5Å; Y124-Q228 HydrophobicContact CD1-CB 4.14Å; Y124-Q228 HydrophobicContact CD1-CG 4.02Å; Y124-Q228 HydrophobicContact CE1-CG 4.33Å; Y124-D247 WeakPolarHBondContact CE1-OD1 3.38Å; Y124-D247 PolarHBondContact OH-OD1 3.03Å; Y124-D247 PolarHBondContact OH-OD2 2.99Å; Y124-K249 HydrophobicContact CD1-CG 4.49Å; Y124-K249 HydrophobicContact CE1-CG 3.72Å; Y124-K249 VanDerWaalsContact OH-CE 3.24Å; Y124-K249 WeakPolarHBondContact OH-CE 3.31Å
125F98.6Very high97.6Very high0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-120.7130.5170173.9-128.5000111.3C91 D93 M119 V127 A227 Q228 I250C91-F125 HydrophobicContact CB-CD2 4.18Å; C91-F125 WeakPolarHBondContact O-CA 3.47Å; C91-F125 WeakPolarHBondContact O-CD2 3.33Å; D93-F125 HydrophobicContact CB-CE2 3.78Å; D93-F125 HydrophobicContact CB-CZ 4.31Å; M119-F125 HydrophobicContact CE-CD1 3.73Å; M119-F125 HydrophobicContact CE-CD2 3.61Å; M119-F125 HydrophobicContact CE-CE1 3.46Å; M119-F125 VanDerWaalsContact CE-CE1 3.46Å; M119-F125 HydrophobicContact CE-CE2 3.37Å; M119-F125 HydrophobicContact CE-CG 3.82Å; M119-F125 HydrophobicContact CE-CZ 3.29Å; M119-F125 HydrophobicContact CG-CB 3.84Å; M119-F125 HydrophobicContact CG-CD1 4.21Å; M119-F125 HydrophobicContact CG-CD2 3.96Å; M119-F125 HydrophobicContact CG-CG 3.73Å; M119-F125 HydrophobicContact SD-CB 4.09Å; M119-F125 HydrophobicContact SD-CD1 3.33Å; M119-F125 WeakPolarHBondContact SD-CD1 3.47Å; M119-F125 HydrophobicContact SD-CD2 3.9Å; M119-F125 HydrophobicContact SD-CE1 3.65Å; M119-F125 HydrophobicContact SD-CE2 4.21Å; M119-F125 HydrophobicContact SD-CG 3.49Å; M119-F125 WeakPolarHBondContact SD-CG 3.25Å; M119-F125 HydrophobicContact SD-CZ 4.09Å; F125-V127 HydrophobicContact CD1-CG2 4.29Å; F125-V127 HydrophobicContact CE1-CG2 3.45Å; F125-V127 VanDerWaalsContact CE1-CG2 3.45Å; F125-V127 HydrophobicContact CE2-CG2 4.47Å; F125-V127 HydrophobicContact CZ-CB 4.47Å; F125-V127 HydrophobicContact CZ-CG2 3.55Å; F125-A227 HydrophobicContact CD1-CB 3.67Å; F125-A227 HydrophobicContact CE1-CB 3.94Å; F125-Q228 PolarHBondContact O-N 2.9Å; F125-I250 HydrophobicContact CB-CD1 3.48Å; F125-I250 VanDerWaalsContact CB-CD1 3.48Å
126Y98.7Very high97.5Very high14 Ų1433.5 Ų33.56%0.05516%0.16CC..EExtended strand (participates in β ladder)trans-121.4129.3176.6-55-58.6000111.1C21 H25 L90 C91 I92 D93 Q228 R229C21-Y126 VanDerWaalsContact SG-CB 3.53Å; H25-Y126 HydrophobicContact CB-CD2 4.13Å; H25-Y126 HydrophobicContact CB-CE2 3.63Å; H25-Y126 AromaticContact CD2-CD2 3.79Å; H25-Y126 AromaticContact CD2-CE1 3.92Å; H25-Y126 AromaticContact CD2-CE2 3.64Å; H25-Y126 AromaticContact CD2-CG 3.99Å; H25-Y126 AromaticContact CD2-CZ 3.7Å; H25-Y126 AromaticContact CE1-CE1 3.66Å; H25-Y126 AromaticContact CE1-CZ 3.45Å; H25-Y126 VanDerWaalsContact CE1-CZ 3.45Å; H25-Y126 PolarHBondContact CE1-OH 3.3Å; H25-Y126 AromaticContact CG-CE2 3.46Å; H25-Y126 VanDerWaalsContact CG-CE2 3.46Å; H25-Y126 AromaticContact CG-CZ 3.6Å; H25-Y126 AromaticContact ND1-CE2 3.8Å; H25-Y126 AromaticContact ND1-CZ 3.46Å; H25-Y126 PolarHBondContact ND1-OH 3.28Å; H25-Y126 AromaticContact NE2-CD1 3.84Å; H25-Y126 AromaticContact NE2-CE1 3.48Å; H25-Y126 WeakPolarHBondContact NE2-CE1 3.26Å; H25-Y126 AromaticContact NE2-CZ 3.58Å; L90-Y126 HydrophobicContact CB-CD2 4.36Å; L90-Y126 HydrophobicContact CB-CE2 4.04Å; L90-Y126 HydrophobicContact CD1-CD2 4.43Å; L90-Y126 HydrophobicContact CD2-CE2 4.31Å; C91-Y126 PolarHBondContact O-N 3.42Å; I92-Y126 WeakPolarHBondContact CA-O 3.38Å; I92-Y126 HydrophobicContact CG1-CD2 4.41Å; D93-Y126 PolarHBondContact N-O 3.41Å; Y126-Q228 HydrophobicContact CD1-CB 4.36Å; Y126-Q228 HydrophobicContact CE1-CB 3.97Å; Y126-Q228 HydrophobicContact CE1-CG 4Å; Y126-R229 WeakPolarHBondContact CA-O 3.36Å; Y126-R229 HydrophobicContact CD1-CB 3.85Å; Y126-R229 HydrophobicContact CD1-CG 4.26Å; Y126-R229 HydrophobicContact CE1-CB 4.29Å; Y126-R229 HydrophobicContact CE1-CG 4.18Å
127V98.6Very high97.4Very high0 Ų040.4 Ų40.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.5134.5178.3-173.20000109.9D93 A95 V98 F125 A227 R229 A230 Y231D93-V127 CarbonylContact O-C 3.51Å; D93-V127 WeakPolarHBondContact O-CA 3.35Å; A95-V127 HydrophobicContact CB-CG1 3.79Å; V98-V127 HydrophobicContact CG2-CG1 3.83Å; F125-V127 HydrophobicContact CD1-CG2 4.29Å; F125-V127 HydrophobicContact CE1-CG2 3.45Å; F125-V127 VanDerWaalsContact CE1-CG2 3.45Å; F125-V127 HydrophobicContact CE2-CG2 4.47Å; F125-V127 HydrophobicContact CZ-CB 4.47Å; F125-V127 HydrophobicContact CZ-CG2 3.55Å; V127-A227 HydrophobicContact CG2-CB 3.76Å; V127-R229 PolarHBondContact N-O 3.46Å; V127-A230 HydrophobicContact CB-CB 3.81Å; V127-A230 HydrophobicContact CG2-CB 4.42Å; V127-A230 CarbonylContact O-C 3.56Å; V127-A230 WeakPolarHBondContact O-CA 3.41Å; V127-Y231 PolarHBondContact O-N 3.34Å
128V98.7Very high97.3Very high0 Ų036.8 Ų36.80%017%0.167CC..EExtended strand (participates in β ladder)trans-119.7122.7171.2-67.80000110.3C21 T39 V43 I92 D93 G94C21-V128 HydrophobicContact CB-CG1 3.53Å; T39-V128 HydrophobicContact CG2-CB 4.09Å; T39-V128 HydrophobicContact CG2-CG2 3.98Å; T39-V128 WeakPolarHBondContact CG2-O 3.43Å; V43-V128 HydrophobicContact CG2-CG1 4.45Å; V43-V128 HydrophobicContact CG2-CG2 3.73Å; I92-V128 HydrophobicContact CG2-CB 4.49Å; I92-V128 HydrophobicContact CG2-CG1 3.7Å; I92-V128 HydrophobicContact CG2-CG2 3.95Å; D93-V128 PolarHBondContact O-N 3.01Å; G94-V128 VanDerWaalsContact CA-O 3.32Å; G94-V128 WeakPolarHBondContact CA-O 3.4Å
129A97.7Very high97.1Very high1 Ų137.3 Ų37.31%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-150.1166.3-175.600000112.5K133 Y231 F232 G233A129-K133 HydrophobicContact CB-CB 3.74Å; A129-K133 HydrophobicContact CB-CG 4.01Å; A129-Y231 PolarHBondContact N-O 3.02Å; A129-F232 HydrophobicContact CB-CD1 4Å; A129-F232 HydrophobicContact CB-CE1 4.09Å; A129-F232 CarbonylContact O-C 3.57Å; A129-F232 VanDerWaalsContact O-CA 3.3Å; A129-F232 WeakPolarHBondContact O-CA 3.39Å; A129-G233 PolarHBondContact O-N 3.43Å
130D96.6Very high96.9Very high1 Ų140.1 Ų40.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-84.3157.3165.273.476.2000110.7L10 K14 R132 K133L10-D130 HydrophobicContact CD1-CB 3.69Å; K14-D130 HydrophobicContact CG-CB 3.97Å; D130-R132 PolarHBondContact O-N 2.98Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 IonicContact OD1-CZ 3.67Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 IonicContact OD1-NE 2.8Å; D130-R132 PolarHBondContact OD1-NE 3.44Å; D130-R132 IonicContact OD1-NH2 2.76Å; D130-R132 PolarHBondContact OD1-NH2 3.12Å; D130-R132 IonicContact OD2-CZ 3.63Å; D130-R132 IonicContact OD2-NE 3.77Å; D130-R132 IonicContact OD2-NH2 3.54Å; D130-R132 PolarHBondContact OD2-NH2 3.3Å; D130-K133 WeakPolarHBondContact O-CB 3.07Å; D130-K133 PolarHBondContact O-N 3.3Å
131H96.1Very high96.7Very high57 Ų5745.1 Ų45.126%0.26420%0.199SC..G310 helixtrans-50.5-24.8-178.168.8-76.6000115.4K133 K134 G233 M234 P235H131-K133 PolarHBondContact O-N 2.97Å; H131-K134 PolarHBondContact O-N 3.31Å; H131-G233 WeakPolarHBondContact CB-O 3.29Å; H131-G233 PolarHBondContact N-O 2.66Å; H131-M234 HydrophobicContact CB-CE 3.94Å; H131-M234 HydrophobicContact CB-SD 3.54Å; H131-M234 VanDerWaalsContact CB-SD 3.54Å; H131-P235 WeakPolarHBondContact CE1-CG 3.41Å
132R96.1Very high96.5Very high108 Ų10846.2 Ų46.241%0.40820%0.201SC..G310 helixtrans-73-18.5-178.8-53.8169.3-62.3162.310.2112.5L10 D130 K134 R141L10-R132 VanDerWaalsContact CD2-CZ 3.42Å; D130-R132 PolarHBondContact O-N 2.98Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.36Å; D130-R132 IonicContact OD1-CZ 3.67Å; D130-R132 PolarHBondContact OD1-N 2.96Å; D130-R132 IonicContact OD1-NE 2.8Å; D130-R132 PolarHBondContact OD1-NE 3.44Å; D130-R132 IonicContact OD1-NH2 2.76Å; D130-R132 PolarHBondContact OD1-NH2 3.12Å; D130-R132 IonicContact OD2-CZ 3.63Å; D130-R132 IonicContact OD2-NE 3.77Å; D130-R132 IonicContact OD2-NH2 3.54Å; D130-R132 PolarHBondContact OD2-NH2 3.3Å; R132-K134 VanDerWaalsContact C-N 3.32Å; R132-R141 WeakPolarHBondContact O-CD 3.46Å; R132-R141 PolarHBondContact O-NH1 2.96Å; R132-R141 VanDerWaalsContact O-NH1 3.09Å
133K97.2Very high96.4Very high45 Ų4551.3 Ų51.320%0.19622%0.223CC..G310 helixtrans-82.6-10.6178.5-58.9-64.6-168.6172.60112.8A95 D96 E97 V98 A129 D130 H131A95-K133 WeakPolarHBondContact O-CD 3.08Å; D96-K133 WeakPolarHBondContact O-CD 3.45Å; D96-K133 PolarHBondContact O-NZ 3.47Å; D96-K133 VanDerWaalsContact O-NZ 3.09Å; D96-K133 IonicContact OD1-NZ 3.65Å; E97-K133 CarbonylContact C-O 3.56Å; E97-K133 WeakPolarHBondContact CA-O 3.38Å; V98-K133 PolarHBondContact N-O 3.14Å; A129-K133 HydrophobicContact CB-CB 3.74Å; A129-K133 HydrophobicContact CB-CG 4.01Å; D130-K133 WeakPolarHBondContact O-CB 3.07Å; D130-K133 PolarHBondContact O-N 3.3Å; H131-K133 PolarHBondContact O-N 2.97Å
134K97.2Very high96.4Very high72 Ų7249.2 Ų49.231%0.31321%0.213SC..BIsolated β-bridgetrans-83.2127.7175.5-170-172.4174.5-159.90110.6H131 R132 R141 F232H131-K134 PolarHBondContact O-N 3.31Å; R132-K134 VanDerWaalsContact C-N 3.32Å; K134-R141 PolarHBondContact O-NE 3.24Å; K134-F232 HydrophobicContact CB-CD1 3.78Å; K134-F232 HydrophobicContact CB-CE1 3.67Å; K134-F232 HydrophobicContact CB-CE2 4.43Å; K134-F232 HydrophobicContact CB-CG 4.2Å; K134-F232 HydrophobicContact CB-CZ 4.01Å; K134-F232 HydrophobicContact CD-CD2 4.19Å; K134-F232 HydrophobicContact CD-CE2 4.32Å; K134-F232 HydrophobicContact CD-CG 4.45Å; K134-F232 HydrophobicContact CG-CD1 4.48Å; K134-F232 HydrophobicContact CG-CD2 4.39Å; K134-F232 HydrophobicContact CG-CE1 4.21Å; K134-F232 HydrophobicContact CG-CE2 4.13Å; K134-F232 HydrophobicContact CG-CZ 4.03Å
135S96.6Very high96.4Very high5 Ų547 Ų474%0.03521%0.205CC..  trans-131162.9177.4-71.70000111.5E97 V98 D99 R137 R141E97-S135 WeakPolarHBondContact OE1-CB 3.46Å; E97-S135 PolarHBondContact OE1-OG 2.87Å; V98-S135 PolarHBondContact O-N 2.96Å; D99-S135 WeakPolarHBondContact CA-O 3.48Å; S135-R137 WeakPolarHBondContact CB-O 3.26Å; S135-R141 VanDerWaalsContact OG-CD 3.31Å; S135-R141 WeakPolarHBondContact OG-CD 3.39Å; S135-R141 WeakPolarHBondContact OG-CG 3.48Å
136N96.1Very high96.4Very high114 Ų11447 Ų4761%0.6121%0.205SC*.SBendtrans-76.4-44.6173.4-71.5-25.2000109.9I100 D140I100-N136 WeakPolarHBondContact CG1-O 3.4Å; N136-D140 PolarHBondContact N-OD2 3.33Å
137R95Very high96.4Very high153 Ų15346.4 Ų46.458%0.57720%0.202SC*.SBendtrans-128.7148.7174-59.8176.2-61.3-170.63.1109.4S135 D140S135-R137 WeakPolarHBondContact CB-O 3.26Å; R137-D140 PolarHBondContact N-OD2 3.41Å; R137-D140 IonicContact NE-OD1 2.75Å; R137-D140 IonicContact NH2-OD1 2.7Å; R137-D140 WeakPolarHBondContact O-CB 3.36Å; R137-D140 VanDerWaalsContact O-CG 3.24Å; R137-D140 PolarHBondContact O-N 2.96Å
138L95.6Very high96.4Very high6 Ų646.4 Ų46.43%0.03120%0.202CC..THydrogen-bonded Turntrans-56.9141166.7-68.8-174.4000109.7E97 D99 N103 I105 W204 L222 I224E97-L138 HydrophobicContact CB-CD2 4.36Å; E97-L138 HydrophobicContact CG-CD2 4.03Å; D99-L138 HydrophobicContact CB-CD2 4.08Å; D99-L138 HydrophobicContact CB-CG 4Å; N103-L138 HydrophobicContact CB-CD1 3.67Å; N103-L138 HydrophobicContact CB-CG 4.23Å; N103-L138 WeakPolarHBondContact O-CD2 3.48Å; I105-L138 HydrophobicContact CD1-CB 4.08Å; I105-L138 HydrophobicContact CD1-CD2 4.2Å; I105-L138 HydrophobicContact CG1-CB 4.43Å; I105-L138 HydrophobicContact CG1-CD1 4.05Å; I105-L138 HydrophobicContact CG1-CD2 3.94Å; I105-L138 HydrophobicContact CG1-CG 4.36Å; L138-W204 HydrophobicContact CB-CD2 4.28Å; L138-W204 HydrophobicContact CB-CH2 4.16Å; L138-W204 HydrophobicContact CB-CZ2 3.5Å; L138-W204 HydrophobicContact CD1-CD2 4.02Å; L138-W204 HydrophobicContact CD1-CG 4.09Å; L138-W204 WeakPolarHBondContact O-CZ2 3.4Å; L138-L222 HydrophobicContact CD1-CD2 4.47Å; L138-I224 HydrophobicContact CD1-CD1 4.21Å
139G94.2Very high96.4Very high12 Ų1246.4 Ų46.412%0.12420%0.202CC..THydrogen-bonded Turntrans93.1-13.5-17500000114.8E97 R141 W142 K143E97-G139 PolarHBondContact OE2-N 3.05Å; G139-R141 PolarHBondContact O-N 2.82Å; G139-W142 VanDerWaalsContact CA-O 3.3Å; G139-W142 WeakPolarHBondContact CA-O 3.45Å; G139-K143 WeakPolarHBondContact O-CD 3.37Å; G139-K143 WeakPolarHBondContact O-CE 3.43Å; G139-K143 PolarHBondContact O-NZ 3.45Å
140D93.5Very high96.5Very high59 Ų5949.7 Ų49.732%0.31622%0.219SC..SBendtrans-64.7-41.3-178.7-75.9-19.4000111.2E97 N136 R137 K143E97-D140 PolarHBondContact OE1-N 2.7Å; N136-D140 PolarHBondContact N-OD2 3.33Å; R137-D140 PolarHBondContact N-OD2 3.41Å; R137-D140 IonicContact NE-OD1 2.75Å; R137-D140 IonicContact NH2-OD1 2.7Å; R137-D140 WeakPolarHBondContact O-CB 3.36Å; R137-D140 VanDerWaalsContact O-CG 3.24Å; R137-D140 PolarHBondContact O-N 2.96Å; D140-K143 WeakPolarHBondContact O-CE 3.42Å; D140-K143 PolarHBondContact O-NZ 3.48Å
141R92Very high96.5Very high149 Ų14951.4 Ų51.456%0.56223%0.231SC*.SBendtrans-115.4-29.7-178.5-60.2179.2-177.2-127-4.4113.2E97 R132 K134 S135 G139E97-R141 WeakPolarHBondContact OE1-CA 3.38Å; E97-R141 WeakPolarHBondContact OE1-CB 3.29Å; E97-R141 PolarHBondContact OE1-N 3.3Å; R132-R141 WeakPolarHBondContact O-CD 3.46Å; R132-R141 PolarHBondContact O-NH1 2.96Å; R132-R141 VanDerWaalsContact O-NH1 3.09Å; K134-R141 PolarHBondContact O-NE 3.24Å; S135-R141 VanDerWaalsContact OG-CD 3.31Å; S135-R141 WeakPolarHBondContact OG-CD 3.39Å; S135-R141 WeakPolarHBondContact OG-CG 3.48Å; G139-R141 PolarHBondContact O-N 2.82Å
142W94.5Very high96.6Very high41 Ų4159.7 Ų59.716%0.15526%0.26CS..  trans-109.2115.2-178.9-169.8-84.6000111.3D96 E97 I105 G139 Y144 M194D96-W142 HydrophobicContact CB-CD2 3.77Å; D96-W142 HydrophobicContact CB-CE3 3.71Å; D96-W142 HydrophobicContact CB-CG 4.49Å; D96-W142 HydrophobicContact CB-CH2 3.73Å; D96-W142 HydrophobicContact CB-CZ2 3.79Å; D96-W142 HydrophobicContact CB-CZ3 3.7Å; D96-W142 VanDerWaalsContact CG-CH2 3.48Å; D96-W142 WeakPolarHBondContact OD1-CH2 3.45Å; E97-W142 HydrophobicContact CB-CB 3.78Å; E97-W142 HydrophobicContact CG-CB 4.44Å; E97-W142 PolarHBondContact OE1-N 2.87Å; E97-W142 VanDerWaalsContact OE2-CB 3.3Å; E97-W142 WeakPolarHBondContact OE2-CB 3.35Å; E97-W142 PolarHBondContact OE2-N 3.1Å; I105-W142 HydrophobicContact CD1-CB 4.36Å; I105-W142 VanDerWaalsContact CG2-CD1 3.49Å; I105-W142 HydrophobicContact CG2-CG 4.24Å; G139-W142 VanDerWaalsContact CA-O 3.3Å; G139-W142 WeakPolarHBondContact CA-O 3.45Å; W142-Y144 AromaticContact CE2-CE1 3.84Å; W142-Y144 AromaticContact CE2-CE2 3.91Å; W142-Y144 AromaticContact CE2-CZ 3.61Å; W142-Y144 HydrophobicContact CH2-CE1 4.49Å; W142-Y144 AromaticContact CH2-CZ 3.97Å; W142-Y144 WeakPolarHBondContact CH2-OH 3.44Å; W142-Y144 AromaticContact CZ2-CE1 3.86Å; W142-Y144 HydrophobicContact CZ2-CE1 3.86Å; W142-Y144 AromaticContact CZ2-CE2 3.64Å; W142-Y144 HydrophobicContact CZ2-CE2 3.64Å; W142-Y144 AromaticContact CZ2-CZ 3.23Å; W142-Y144 WeakPolarHBondContact CZ2-OH 3.28Å; W142-Y144 AromaticContact NE1-CD2 3.82Å; W142-Y144 AromaticContact NE1-CE1 3.95Å; W142-Y144 AromaticContact NE1-CE2 3.75Å; W142-Y144 AromaticContact NE1-CG 3.96Å; W142-Y144 AromaticContact NE1-CZ 3.83Å; W142-Y144 PolarHBondContact NE1-O 3.09Å; W142-M194 VanDerWaalsContact O-CE 3.24Å; W142-M194 WeakPolarHBondContact O-CE 3.4Å
143K95.7Very high96.7Very high107 Ų10755.1 Ų55.147%0.46525%0.245SC..  trans-95.82.6-161.8-57.3-60.2177.1-176.30115.7G139 D140 M194G139-K143 WeakPolarHBondContact O-CD 3.37Å; G139-K143 WeakPolarHBondContact O-CE 3.43Å; G139-K143 PolarHBondContact O-NZ 3.45Å; D140-K143 WeakPolarHBondContact O-CE 3.42Å; D140-K143 PolarHBondContact O-NZ 3.48Å; K143-M194 PolarHBondContact O-N 3.25Å
144Y97.8Very high96.7Very high44 Ų4455.2 Ų55.217%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-141.6152.2-179.663.4-89.9000112.7W142 P146 D191 W192 Y193W142-Y144 AromaticContact CE2-CE1 3.84Å; W142-Y144 AromaticContact CE2-CE2 3.91Å; W142-Y144 AromaticContact CE2-CZ 3.61Å; W142-Y144 HydrophobicContact CH2-CE1 4.49Å; W142-Y144 AromaticContact CH2-CZ 3.97Å; W142-Y144 WeakPolarHBondContact CH2-OH 3.44Å; W142-Y144 AromaticContact CZ2-CE1 3.86Å; W142-Y144 HydrophobicContact CZ2-CE1 3.86Å; W142-Y144 AromaticContact CZ2-CE2 3.64Å; W142-Y144 HydrophobicContact CZ2-CE2 3.64Å; W142-Y144 AromaticContact CZ2-CZ 3.23Å; W142-Y144 WeakPolarHBondContact CZ2-OH 3.28Å; W142-Y144 AromaticContact NE1-CD2 3.82Å; W142-Y144 AromaticContact NE1-CE1 3.95Å; W142-Y144 AromaticContact NE1-CE2 3.75Å; W142-Y144 AromaticContact NE1-CG 3.96Å; W142-Y144 AromaticContact NE1-CZ 3.83Å; W142-Y144 PolarHBondContact NE1-O 3.09Å; Y144-P146 HydrophobicContact CD2-CG 4.06Å; Y144-P146 HydrophobicContact CE2-CG 3.86Å; Y144-D191 HydrophobicContact CD2-CB 3.72Å; Y144-D191 WeakPolarHBondContact CD2-OD1 3.37Å; Y144-D191 HydrophobicContact CE2-CB 4.24Å; Y144-D191 VanDerWaalsContact CE2-OD1 3.3Å; Y144-D191 WeakPolarHBondContact CE2-OD1 3.1Å; Y144-D191 HydrophobicContact CG-CB 4.26Å; Y144-W192 CarbonylContact C-O 3.55Å; Y144-W192 WeakPolarHBondContact CA-O 3.5Å; Y144-W192 WeakPolarHBondContact CB-O 3.22Å; Y144-Y193 HydrophobicContact CD1-CD1 4.3Å; Y144-Y193 AromaticContact CD1-CE1 3.79Å; Y144-Y193 HydrophobicContact CD1-CE1 3.79Å; Y144-Y193 HydrophobicContact CG-CD1 4.45Å; Y144-Y193 HydrophobicContact CG-CE1 4.22Å
145I98.3Very high96.8Very high0 Ų055.3 Ų55.30%025%0.253CS..EExtended strand (participates in β ladder)trans-102.8117.1171.6-54.8-54.9000108.6I105 L147 W192 M194 W204 L222I105-I145 HydrophobicContact CD1-CD1 3.52Å; I105-I145 HydrophobicContact CG1-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CD1 4.17Å; I145-L147 HydrophobicContact CG2-CD2 4.05Å; I145-L147 PolarHBondContact O-N 3.16Å; I145-W192 HydrophobicContact CB-CE3 3.97Å; I145-W192 HydrophobicContact CG1-CE3 3.72Å; I145-W192 HydrophobicContact CG1-CZ3 3.94Å; I145-W192 PolarHBondContact N-O 3.34Å; I145-W192 PolarHBondContact O-N 3.31Å; I145-M194 HydrophobicContact CD1-CE 4.35Å; I145-M194 HydrophobicContact CD1-SD 4.43Å; I145-M194 HydrophobicContact CG1-SD 4.39Å; I145-W204 HydrophobicContact CD1-CZ3 4.31Å; I145-L222 HydrophobicContact CD1-CD2 3.65Å; I145-L222 HydrophobicContact CD1-CG 4.31Å; I145-L222 HydrophobicContact CG1-CD2 4.28Å; I145-L222 HydrophobicContact CG2-CD1 4.32Å; I145-L222 HydrophobicContact CG2-CD2 4.39Å; I145-L222 HydrophobicContact CG2-CG 3.85Å
146P98.6Very high96.9Very high0 Ų058.8 Ų58.80%028%0.275CS..EExtended strand (participates in β ladder)trans-66130.4172.5-21.233.4000111K106 Y144 I189 T220 G221K106-P146 WeakPolarHBondContact O-CG 3.46Å; Y144-P146 HydrophobicContact CD2-CG 4.06Å; Y144-P146 HydrophobicContact CE2-CG 3.86Å; P146-I189 HydrophobicContact CB-CG2 4.36Å; P146-T220 CarbonylContact O-C 3.54Å; P146-G221 WeakPolarHBondContact O-CA 3.35Å; P146-G221 PolarHBondContact O-N 2.85Å
147L98.8Very high97Very high0 Ų053.4 Ų53.40%025%0.247CC..EExtended strand (participates in β ladder)trans-117.1123.2173.5-51.2176.5000108.5I145 V149 I161 I189 L190 W192 M211 E219 T220I145-L147 HydrophobicContact CG2-CD2 4.05Å; I145-L147 PolarHBondContact O-N 3.16Å; L147-V149 HydrophobicContact CB-CG1 4.03Å; L147-I161 HydrophobicContact CD1-CG1 4.17Å; L147-I189 CarbonylContact O-C 3.42Å; L147-I189 VanDerWaalsContact O-CA 3.29Å; L147-I189 WeakPolarHBondContact O-CA 3.07Å; L147-L190 HydrophobicContact CB-CB 4.36Å; L147-L190 WeakPolarHBondContact CB-O 3.3Å; L147-L190 PolarHBondContact N-O 2.52Å; L147-L190 PolarHBondContact O-N 2.7Å; L147-W192 HydrophobicContact CD1-CB 4.3Å; L147-M211 HydrophobicContact CD2-SD 3.79Å; L147-E219 CarbonylContact C-O 3.58Å; L147-E219 WeakPolarHBondContact CA-O 3.35Å; L147-T220 HydrophobicContact CD2-CG2 3.78Å
148E98.7Very high97.2Very high1 Ų149.1 Ų49.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-80.8127.2164.1-173.8170.5157.900108.2T113 T183 N185 N187 F188 V218 E219T113-E148 WeakPolarHBondContact CB-OE2 3.37Å; T113-E148 PolarHBondContact OG1-OE2 2.91Å; E148-T183 HydrophobicContact CB-CG2 4.44Å; E148-T183 VanDerWaalsContact CD-CG2 3.49Å; E148-T183 VanDerWaalsContact CD-OG1 3.25Å; E148-T183 HydrophobicContact CG-CG2 3.72Å; E148-T183 PolarHBondContact OE1-OG1 3.46Å; E148-T183 WeakPolarHBondContact OE2-CG2 3.3Å; E148-N185 WeakPolarHBondContact OE1-CB 3.49Å; E148-N185 PolarHBondContact OE1-ND2 3.36Å; E148-N187 HydrophobicContact CG-CB 3.57Å; E148-N187 WeakPolarHBondContact OE1-CB 3.26Å; E148-N187 PolarHBondContact OE1-ND2 3.4Å; E148-F188 WeakPolarHBondContact CA-O 3.4Å; E148-V218 HydrophobicContact CB-CB 4.18Å; E148-V218 HydrophobicContact CG-CB 3.95Å; E148-V218 HydrophobicContact CG-CG1 4.24Å; E148-V218 HydrophobicContact CG-CG2 4.43Å; E148-V218 WeakPolarHBondContact O-CA 3.28Å; E148-V218 WeakPolarHBondContact O-CB 3.27Å; E148-V218 PolarHBondContact O-N 3.39Å; E148-E219 PolarHBondContact N-O 2.71Å; E148-E219 PolarHBondContact O-N 2.86Å
149V98.8Very high97.3Very high0 Ų054.7 Ų54.70%026%0.26CS..EExtended strand (participates in β ladder)trans-134.3146-174.9-56.50000110.6L147 S151 H154 V157 N187 F188 L190 G216 V217L147-V149 HydrophobicContact CB-CG1 4.03Å; V149-S151 PolarHBondContact O-N 3.12Å; V149-H154 HydrophobicContact CG2-CB 3.75Å; V149-V157 HydrophobicContact CG1-CB 4.43Å; V149-V157 HydrophobicContact CG1-CG1 3.82Å; V149-N187 WeakPolarHBondContact O-CB 3.25Å; V149-F188 HydrophobicContact CG2-CB 4.03Å; V149-F188 PolarHBondContact N-O 2.83Å; V149-F188 PolarHBondContact O-N 2.84Å; V149-L190 HydrophobicContact CG1-CB 4.29Å; V149-L190 HydrophobicContact CG2-CB 4.29Å; V149-G216 CarbonylContact C-O 3.57Å; V149-G216 VanDerWaalsContact CA-O 3.23Å; V149-G216 WeakPolarHBondContact CA-O 3.17Å; V149-V217 HydrophobicContact CG1-CG2 4.38Å
150L98.6Very high97.5Very high69 Ų6956 Ų5636%0.36127%0.269SS..  trans-54.5129.6170.3-64.5-179.4000108.7R152 A153 H154 G216 V218L150-R152 PolarHBondContact O-N 3.27Å; L150-R152 VanDerWaalsContact O-N 3.08Å; L150-A153 HydrophobicContact CB-CB 4.07Å; L150-A153 WeakPolarHBondContact O-CA 3.43Å; L150-A153 PolarHBondContact O-N 2.85Å; L150-H154 PolarHBondContact O-N 3.24Å; L150-G216 PolarHBondContact N-O 3.22Å; L150-V218 HydrophobicContact CD2-CG2 3.92Å; L150-V218 HydrophobicContact CG-CG2 4.15Å
151S98Very high97.8Very high38 Ų3853.2 Ų53.227%0.26625%0.254SS..G310 helixtrans-55.1-36.7-173.5-51.60000112.5V149 A153 H154 G186 F188V149-S151 PolarHBondContact O-N 3.12Å; S151-A153 VanDerWaalsContact C-N 3.28Å; S151-A153 PolarHBondContact O-N 3.46Å; S151-H154 PolarHBondContact O-ND1 2.78Å; S151-G186 PolarHBondContact OG-O 2.9Å; S151-F188 WeakPolarHBondContact OG-CD1 3.28Å
152R97.8Very high98Very high230 Ų23048.6 Ų48.687%0.86824%0.239SC*.G310 helixtrans-72.7-12.5176.777.1178.2-173.4116.6-1115.1L150L150-R152 PolarHBondContact O-N 3.27Å; L150-R152 VanDerWaalsContact O-N 3.08Å
153A97.9Very high98.2Very high12 Ų1254.7 Ų54.710%0.09927%0.269CS..G310 helixtrans-112.4-0-17400000113.4L150 S151 V155 P156 V157L150-A153 HydrophobicContact CB-CB 4.07Å; L150-A153 WeakPolarHBondContact O-CA 3.43Å; L150-A153 PolarHBondContact O-N 2.85Å; S151-A153 VanDerWaalsContact C-N 3.28Å; S151-A153 PolarHBondContact O-N 3.46Å; A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 2.88Å; A153-P156 HydrophobicContact CB-CG 4.42Å; A153-P156 WeakPolarHBondContact O-CD 3.48Å; A153-P156 VanDerWaalsContact O-CG 3.26Å; A153-P156 WeakPolarHBondContact O-CG 3.3Å; A153-V157 HydrophobicContact CB-CG2 4.17Å; A153-V157 WeakPolarHBondContact O-CB 3.33Å; A153-V157 VanDerWaalsContact O-CG2 3.24Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.33Å
154H97.7Very high98.2Very high48 Ų4852.9 Ų52.922%0.22227%0.274CS..Hα-helixtrans-59.4-34.2-173.477.1-85.5000113.8V149 L150 S151 K158 L171 F188V149-H154 HydrophobicContact CG2-CB 3.75Å; L150-H154 PolarHBondContact O-N 3.24Å; S151-H154 PolarHBondContact O-ND1 2.78Å; H154-K158 WeakPolarHBondContact O-CB 3.31Å; H154-K158 PolarHBondContact O-N 3.48Å; H154-L171 HydrophobicContact CB-CD1 4.48Å; H154-F188 HydrophobicContact CB-CD2 4.13Å; H154-F188 AromaticContact CG-CD2 3.96Å; H154-F188 AromaticContact ND1-CD2 3.73Å; H154-F188 AromaticContact ND1-CE2 3.84Å
155V98.4Very high98.1Very high74 Ų7452.3 Ų52.345%0.44827%0.273SS..Hα-helixtrans-70-56.1176.3-179.70000112.6A153 V157 K158 M159A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 2.88Å; V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 2.91Å; V155-K158 WeakPolarHBondContact O-CB 3.47Å; V155-K158 PolarHBondContact O-N 2.99Å; V155-K158 VanDerWaalsContact O-N 3.17Å; V155-M159 HydrophobicContact CG1-SD 4.2Å; V155-M159 WeakPolarHBondContact O-CG 2.99Å; V155-M159 PolarHBondContact O-N 3.37Å
156P98.5Very high97.9Very high77 Ų7753.9 Ų53.950%0.529%0.289SS..Hα-helixtrans-62.5-35177.821.7-32.4000112.7A153 M159 A160A153-P156 HydrophobicContact CB-CG 4.42Å; A153-P156 WeakPolarHBondContact O-CD 3.48Å; A153-P156 VanDerWaalsContact O-CG 3.26Å; A153-P156 WeakPolarHBondContact O-CG 3.3Å; P156-M159 PolarHBondContact O-N 3.49Å; P156-A160 WeakPolarHBondContact O-CB 3.36Å; P156-A160 PolarHBondContact O-N 3.01Å
157V98.7Very high97.9Very high1 Ų155.7 Ų55.71%0.00631%0.308CS..Hα-helixtrans-63.1-47172.6172.40000110.8V149 A153 V155 M159 A160 I161 L190 V214 P215 V217V149-V157 HydrophobicContact CG1-CB 4.43Å; V149-V157 HydrophobicContact CG1-CG1 3.82Å; A153-V157 HydrophobicContact CB-CG2 4.17Å; A153-V157 WeakPolarHBondContact O-CB 3.33Å; A153-V157 VanDerWaalsContact O-CG2 3.24Å; A153-V157 WeakPolarHBondContact O-CG2 3.3Å; A153-V157 PolarHBondContact O-N 3.33Å; V155-V157 VanDerWaalsContact C-N 3.29Å; V155-V157 PolarHBondContact O-N 2.91Å; V157-M159 VanDerWaalsContact C-N 3.33Å; V157-M159 PolarHBondContact O-N 2.91Å; V157-A160 PolarHBondContact O-N 3.33Å; V157-I161 HydrophobicContact CG1-CG1 4.04Å; V157-I161 WeakPolarHBondContact O-CB 3.45Å; V157-I161 VanDerWaalsContact O-CG1 3.26Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 3.09Å; V157-L190 HydrophobicContact CG1-CD2 4.11Å; V157-V214 HydrophobicContact CG2-CG1 4.18Å; V157-P215 WeakPolarHBondContact CG2-O 3.42Å; V157-V217 HydrophobicContact CG1-CG2 3.55Å; V157-V217 HydrophobicContact CG2-CG2 4.16Å
158K98.7Very high97.8Very high63 Ų6362.9 Ų62.927%0.27434%0.335SS..Hα-helixtrans-51.5-52.1174.3158.4170.4176.767.70111.5H154 V155 I161 E162 C169 L190H154-K158 WeakPolarHBondContact O-CB 3.31Å; H154-K158 PolarHBondContact O-N 3.48Å; V155-K158 WeakPolarHBondContact O-CB 3.47Å; V155-K158 PolarHBondContact O-N 2.99Å; V155-K158 VanDerWaalsContact O-N 3.17Å; K158-I161 PolarHBondContact O-N 3.35Å; K158-E162 WeakPolarHBondContact CG-OE2 3.24Å; K158-E162 IonicContact NZ-OE1 2.63Å; K158-E162 PolarHBondContact NZ-OE1 3.08Å; K158-E162 IonicContact NZ-OE2 2.99Å; K158-E162 PolarHBondContact NZ-OE2 2.73Å; K158-E162 WeakPolarHBondContact O-CB 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 2.73Å; K158-C169 HydrophobicContact CB-CB 3.96Å; K158-C169 HydrophobicContact CD-CB 4.28Å; K158-C169 HydrophobicContact CG-CB 3.77Å; K158-C169 PolarHBondContact NZ-O 3.08Å; K158-L190 HydrophobicContact CB-CD1 4.29Å; K158-L190 HydrophobicContact CB-CD2 3.89Å
159M98.5Very high97.8Very high124 Ų12463 Ų6361%0.61134%0.336SS*.Hα-helixtrans-61.6-46-179.2-66.8172.866.300111.8V155 P156 V157 I161 E162 E163V155-M159 HydrophobicContact CG1-SD 4.2Å; V155-M159 WeakPolarHBondContact O-CG 2.99Å; V155-M159 PolarHBondContact O-N 3.37Å; P156-M159 PolarHBondContact O-N 3.49Å; V157-M159 VanDerWaalsContact C-N 3.33Å; V157-M159 PolarHBondContact O-N 2.91Å; M159-I161 PolarHBondContact O-N 2.83Å; M159-E162 PolarHBondContact O-N 2.78Å; M159-E163 VanDerWaalsContact O-CB 3.25Å; M159-E163 WeakPolarHBondContact O-CB 3.04Å; M159-E163 PolarHBondContact O-N 3.47Å
160A98.5Very high97.8Very high39 Ų3966.1 Ų66.132%0.32235%0.35SS..Hα-helixtrans-63.4-42.2-179.500000112.7P156 V157 A164 V214P156-A160 WeakPolarHBondContact O-CB 3.36Å; P156-A160 PolarHBondContact O-N 3.01Å; V157-A160 PolarHBondContact O-N 3.33Å; A160-A164 VanDerWaalsContact O-CB 3.27Å; A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.07Å; A160-V214 HydrophobicContact CB-CG1 3.98Å
161I98.2Very high97.7Very high1 Ų165 Ų651%0.00534%0.344CS..Hα-helixtrans-69-44.6179.2-65.4-62.5000111.3L147 V157 K158 M159 A164 H165 W192 M211 V214L147-I161 HydrophobicContact CD1-CG1 4.17Å; V157-I161 HydrophobicContact CG1-CG1 4.04Å; V157-I161 WeakPolarHBondContact O-CB 3.45Å; V157-I161 VanDerWaalsContact O-CG1 3.26Å; V157-I161 WeakPolarHBondContact O-CG1 3.4Å; V157-I161 PolarHBondContact O-N 3.09Å; K158-I161 PolarHBondContact O-N 3.35Å; M159-I161 PolarHBondContact O-N 2.83Å; I161-A164 PolarHBondContact O-N 3.49Å; I161-H165 WeakPolarHBondContact O-CB 3.36Å; I161-H165 PolarHBondContact O-N 3.12Å; I161-W192 HydrophobicContact CG2-CB 4.34Å; I161-W192 VanDerWaalsContact CG2-CD1 3.49Å; I161-W192 HydrophobicContact CG2-CD2 4.34Å; I161-W192 HydrophobicContact CG2-CG 3.8Å; I161-M211 HydrophobicContact CD1-CB 4.26Å; I161-M211 HydrophobicContact CD1-CE 4.47Å; I161-M211 HydrophobicContact CD1-CG 3.83Å; I161-M211 HydrophobicContact CG2-CE 4.11Å; I161-V214 HydrophobicContact CD1-CG2 3.97Å
162E97.8Very high97.8Very high51 Ų5164.8 Ų64.824%0.23834%0.338CS..Hα-helixtrans-64.8-39.6177.9-72.2179.315700112K158 M159 G166 R168 C169K158-E162 WeakPolarHBondContact CG-OE2 3.24Å; K158-E162 IonicContact NZ-OE1 2.63Å; K158-E162 PolarHBondContact NZ-OE1 3.08Å; K158-E162 IonicContact NZ-OE2 2.99Å; K158-E162 PolarHBondContact NZ-OE2 2.73Å; K158-E162 WeakPolarHBondContact O-CB 3.44Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 2.73Å; M159-E162 PolarHBondContact O-N 2.78Å; E162-G166 WeakPolarHBondContact O-CA 3.43Å; E162-G166 PolarHBondContact O-N 2.96Å; E162-R168 VanDerWaalsContact OE1-CA 3.27Å; E162-R168 WeakPolarHBondContact OE1-CA 3.31Å; E162-C169 HydrophobicContact CG-CB 4.08Å; E162-C169 PolarHBondContact OE1-N 3.35Å
163E97.6Very high97.7Very high170 Ų17059.5 Ų59.579%0.79433%0.326SS*.Hα-helixtrans-65.5-46.2176.1-176.864.3-163.400111.7M159M159-E163 VanDerWaalsContact O-CB 3.25Å; M159-E163 WeakPolarHBondContact O-CB 3.04Å; M159-E163 PolarHBondContact O-N 3.47Å
164A96.1Very high97.5Very high69 Ų6959.9 Ų59.957%0.5733%0.331SS*.Hα-helixtrans-76.5-30.4-174.700000113.9A160 I161A160-A164 VanDerWaalsContact O-CB 3.27Å; A160-A164 WeakPolarHBondContact O-CB 3.43Å; A160-A164 PolarHBondContact O-N 3.07Å; I161-A164 PolarHBondContact O-N 3.49Å
165H95.2Very high97.1Very high32 Ų3262.9 Ų62.915%0.14836%0.364CS..Hα-helixtrans-127.8-2.2-168.9-54.8-51.4000114.1I161 W192 Q210I161-H165 WeakPolarHBondContact O-CB 3.36Å; I161-H165 PolarHBondContact O-N 3.12Å; H165-W192 HydrophobicContact CB-CH2 4.32Å; H165-W192 HydrophobicContact CB-CZ2 3.62Å; H165-Q210 PolarHBondContact CE1-OE1 2.94Å
166G95.5Very high96.8Very high32 Ų3271.4 Ų71.433%0.3339%0.389SS..  trans65.1-154-171.200000111.9E162 W192E162-G166 WeakPolarHBondContact O-CA 3.43Å; E162-G166 PolarHBondContact O-N 2.96Å; G166-W192 PolarHBondContact O-NE1 3.35Å
167G96.7Very high96.1Very high38 Ų3872.6 Ų72.639%0.39239%0.386SS..SBendtrans70.9-156.8-178.700000112.4Y193G167-Y193 VanDerWaalsContact CA-O 3.28Å; G167-Y193 WeakPolarHBondContact CA-O 3.4Å
168R98Very high95.7Very high152 Ų15279.6 Ų79.657%0.57443%0.428SS*.EExtended strand (participates in β ladder)trans-143.2124.3-178.4176.8174.9162155.1-4.5111.3E162 E170 Y193E162-R168 VanDerWaalsContact OE1-CA 3.27Å; E162-R168 WeakPolarHBondContact OE1-CA 3.31Å; R168-E170 HydrophobicContact CG-CG 4.16Å; R168-E170 IonicContact CZ-OE1 3.05Å; R168-E170 IonicContact NE-OE1 3.85Å; R168-E170 PolarHBondContact NE-OE1 3.08Å; R168-E170 IonicContact NH2-OE1 2.7Å; R168-E170 PolarHBondContact NH2-OE1 2.89Å; R168-Y193 PolarHBondContact N-O 2.84Å; R168-Y193 WeakPolarHBondContact O-CB 3.16Å; R168-Y193 PolarHBondContact O-N 2.98Å
169C98.5Very high95.6Very high3 Ų377.9 Ų77.92%0.0243%0.428CS..EExtended strand (participates in β ladder)trans-90.2129.1171.9-810000110.8K158 E162 L190 D191 W192K158-C169 HydrophobicContact CB-CB 3.96Å; K158-C169 HydrophobicContact CD-CB 4.28Å; K158-C169 HydrophobicContact CG-CB 3.77Å; K158-C169 PolarHBondContact NZ-O 3.08Å; E162-C169 HydrophobicContact CG-CB 4.08Å; E162-C169 PolarHBondContact OE1-N 3.35Å; C169-L190 HydrophobicContact CB-CD1 4.02Å; C169-L190 HydrophobicContact CB-CD2 3.76Å; C169-L190 HydrophobicContact CB-CG 3.82Å; C169-D191 CarbonylContact C-O 3.55Å; C169-D191 WeakPolarHBondContact CA-O 3.31Å; C169-W192 VanDerWaalsContact SG-CD1 3.53Å
170E98.2Very high95.5Very high65 Ų6573.2 Ų73.230%0.30441%0.408SS..EExtended strand (participates in β ladder)trans-123.4132.9175.7-58.5-163.2149.100111.5R168 R172 L190 D191 Y193R168-E170 HydrophobicContact CG-CG 4.16Å; R168-E170 IonicContact CZ-OE1 3.05Å; R168-E170 IonicContact NE-OE1 3.85Å; R168-E170 PolarHBondContact NE-OE1 3.08Å; R168-E170 IonicContact NH2-OE1 2.7Å; R168-E170 PolarHBondContact NH2-OE1 2.89Å; E170-R172 PolarHBondContact O-N 3.09Å; E170-L190 CarbonylContact O-C 3.51Å; E170-L190 WeakPolarHBondContact O-CA 3.35Å; E170-D191 PolarHBondContact N-O 3.46Å; E170-D191 PolarHBondContact O-N 2.78Å; E170-Y193 HydrophobicContact CB-CD2 4.48Å; E170-Y193 HydrophobicContact CB-CE2 4.04Å; E170-Y193 HydrophobicContact CG-CD2 3.97Å; E170-Y193 HydrophobicContact CG-CE2 3.8Å; E170-Y193 WeakPolarHBondContact OE2-CE2 3.38Å
171L98.1Very high95.4Very high46 Ų4673.2 Ų73.224%0.24140%0.403CS..EExtended strand (participates in β ladder)trans-71.2120.7173-178.163.2000108.9H154 L173 P180 F188H154-L171 HydrophobicContact CB-CD1 4.48Å; L171-L173 PolarHBondContact O-N 3.33Å; L171-P180 HydrophobicContact CD1-CB 4.21Å; L171-P180 HydrophobicContact CD1-CG 4.5Å; L171-P180 HydrophobicContact CD2-CB 4.14Å; L171-P180 HydrophobicContact CD2-CG 3.58Å; L171-P180 HydrophobicContact CG-CB 4.14Å; L171-P180 HydrophobicContact CG-CG 4.12Å; L171-F188 HydrophobicContact CD1-CB 3.78Å; L171-F188 HydrophobicContact CD1-CD2 3.7Å; L171-F188 HydrophobicContact CD1-CG 3.92Å; L171-F188 HydrophobicContact CD2-CD2 4.38Å; L171-F188 HydrophobicContact CD2-CE2 4.5Å
172R98.2Very high95.3Very high33 Ų3377.2 Ų77.213%0.12542%0.424CS..  trans-69115-178.3-168.1-178.8-69.4175.62110.4G107 G108 E170 P180 V181 I189 D191G107-R172 PolarHBondContact O-NH1 3.28Å; G107-R172 PolarHBondContact O-NH2 2.88Å; G107-R172 VanDerWaalsContact O-NH2 3.09Å; G108-R172 PolarHBondContact O-NH1 2.89Å; G108-R172 VanDerWaalsContact O-NH1 3.08Å; E170-R172 PolarHBondContact O-N 3.09Å; R172-P180 WeakPolarHBondContact O-CA 3.09Å; R172-V181 HydrophobicContact CB-CG2 4.45Å; R172-V181 HydrophobicContact CG-CB 4.4Å; R172-V181 HydrophobicContact CG-CG2 3.9Å; R172-V181 PolarHBondContact O-N 3.29Å; R172-I189 HydrophobicContact CB-CB 4.02Å; R172-I189 HydrophobicContact CB-CG2 4.25Å; R172-I189 PolarHBondContact N-O 2.96Å; R172-D191 IonicContact CZ-OD1 2.8Å; R172-D191 IonicContact CZ-OD2 3.49Å; R172-D191 IonicContact NE-OD1 3.35Å; R172-D191 IonicContact NE-OD2 3.29Å; R172-D191 PolarHBondContact NE-OD2 2.67Å; R172-D191 IonicContact NH2-OD1 3.46Å; R172-D191 PolarHBondContact NH2-OD1 3.01Å; R172-D191 IonicContact NH2-OD2 3.28Å; R172-D191 PolarHBondContact NH2-OD2 2.94Å
173L96.9Very high95.3Very high120 Ų12075.2 Ų75.263%0.62842%0.416SS*.BIsolated β-bridgetrans-87.2146.2177.7-58.9-178.2000111.6L171L171-L173 PolarHBondContact O-N 3.33Å
174G92.8Very high95.1Very high20 Ų2071 Ų7121%0.20640%0.399CS..  trans-69139.5175.900000111.8G179G174-G179 PolarHBondContact N-O 2.68Å
175A90Very high95.2Very high111 Ų11170.8 Ų70.892%0.91739%0.388SS*.SBendtrans-71.8-34.8178.300000113.3
176R91Very high95.2Very high253 Ų25371.1 Ų71.196%0.95540%0.4SS*.SBendtrans-116-17.9178.1-64.6-175.2-177.1176.60.7113.6
177K85.2Confident95.4Very high102 Ų10270.7 Ų70.744%0.44339%0.39SS..SBendtrans-92.1133177.6179.4-170.6172.5-163.60107.9G179 P180K177-G179 PolarHBondContact O-N 3.46Å; K177-P180 PolarHBondContact NZ-O 2.91Å
178V90.9Very high95.5Very high147 Ų14770.6 Ų70.689%0.89138%0.379SS*.SBendtrans-70.2120.2167.7-178.70000108.6
179G94.9Very high95.5Very high27 Ų2763.4 Ų63.428%0.27835%0.352SS..SBendtrans102-167.5179.800000114.6G174 K177G174-G179 PolarHBondContact N-O 2.68Å; K177-G179 PolarHBondContact O-N 3.46Å
180P96.5Very high95.5Very high27 Ų2763.3 Ų63.318%0.17535%0.351CS..BIsolated β-bridgetrans-69.2150.3-171.2-22.535.8000114L171 R172 K177 F188L171-P180 HydrophobicContact CD1-CB 4.21Å; L171-P180 HydrophobicContact CD1-CG 4.5Å; L171-P180 HydrophobicContact CD2-CB 4.14Å; L171-P180 HydrophobicContact CD2-CG 3.58Å; L171-P180 HydrophobicContact CG-CB 4.14Å; L171-P180 HydrophobicContact CG-CG 4.12Å; R172-P180 WeakPolarHBondContact O-CA 3.09Å; K177-P180 PolarHBondContact NZ-O 2.91Å; P180-F188 HydrophobicContact CB-CD1 3.84Å; P180-F188 HydrophobicContact CB-CD2 4.45Å; P180-F188 HydrophobicContact CB-CE1 3.75Å; P180-F188 HydrophobicContact CB-CE2 4.39Å; P180-F188 HydrophobicContact CB-CG 4.21Å; P180-F188 HydrophobicContact CB-CZ 4.05Å; P180-F188 HydrophobicContact CG-CD1 4.45Å; P180-F188 HydrophobicContact CG-CD2 4.49Å; P180-F188 HydrophobicContact CG-CE1 3.98Å; P180-F188 HydrophobicContact CG-CE2 4.04Å; P180-F188 HydrophobicContact CG-CZ 3.76Å
181V96.9Very high95.5Very high38 Ų3860.6 Ų60.623%0.2334%0.338CS..  trans-62.8136.1164177.10000108.8R172 I189R172-V181 HydrophobicContact CB-CG2 4.45Å; R172-V181 HydrophobicContact CG-CB 4.4Å; R172-V181 HydrophobicContact CG-CG2 3.9Å; R172-V181 PolarHBondContact O-N 3.29Å; V181-I189 HydrophobicContact CB-CD1 4.45Å; V181-I189 HydrophobicContact CG1-CD1 3.81Å
182L96.4Very high95.5Very high85 Ų8558.4 Ų58.445%0.44533%0.327SS..BIsolated β-bridgetrans-104.5134.7169.6-61.2178.4000108.5N187 F188L182-N187 CarbonylContact C-O 3.53Å; L182-N187 VanDerWaalsContact CA-O 3.29Å; L182-N187 WeakPolarHBondContact CA-O 3.02Å; L182-F188 HydrophobicContact CD2-CD1 3.68Å; L182-F188 HydrophobicContact CD2-CE1 3.6Å
183T97.2Very high95.5Very high10 Ų1060.8 Ų60.86%0.06134%0.337CS..  trans-69.7170.5167.667.30000110.5G110 E148 N185 G186 N187 I189G110-T183 WeakPolarHBondContact O-CG2 3.36Å; E148-T183 HydrophobicContact CB-CG2 4.44Å; E148-T183 VanDerWaalsContact CD-CG2 3.49Å; E148-T183 VanDerWaalsContact CD-OG1 3.25Å; E148-T183 HydrophobicContact CG-CG2 3.72Å; E148-T183 PolarHBondContact OE1-OG1 3.46Å; E148-T183 WeakPolarHBondContact OE2-CG2 3.3Å; T183-N185 PolarHBondContact O-N 2.92Å; T183-N185 PolarHBondContact OG1-N 2.85Å; T183-G186 PolarHBondContact O-N 3.12Å; T183-N187 PolarHBondContact N-O 2.75Å; T183-N187 PolarHBondContact OG1-N 2.82Å; T183-I189 HydrophobicContact CG2-CD1 3.93Å; T183-I189 HydrophobicContact CG2-CG1 3.54Å
184D94.8Very high95.5Very high82 Ų8256.1 Ų56.144%0.43931%0.312SS..THydrogen-bonded Turntrans-57.8-20172.4-71.9-14.5000112.3S65 Y66S65-D184 WeakPolarHBondContact CA-OD2 3.39Å; Y66-D184 PolarHBondContact N-OD2 2.69Å
185N96.7Very high95.6Very high63 Ų6357.7 Ų57.734%0.33732%0.318SS..THydrogen-bonded Turntrans-91.71.2175.5-53-53.1000113.8Q114 E148 T183Q114-N185 PolarHBondContact NE2-OD1 2.79Å; E148-N185 WeakPolarHBondContact OE1-CB 3.49Å; E148-N185 PolarHBondContact OE1-ND2 3.36Å; T183-N185 PolarHBondContact O-N 2.92Å; T183-N185 PolarHBondContact OG1-N 2.85Å
186G96.7Very high95.4Very high39 Ų3958.5 Ų58.540%0.40232%0.317SS..SBendtrans79.214.1-178.800000115.4S151 T183S151-G186 PolarHBondContact OG-O 2.9Å; T183-G186 PolarHBondContact O-N 3.12Å
187N98.4Very high95.1Very high24 Ų2451.8 Ų51.813%0.12831%0.309CS..  trans-94.6165.9-179.7-69.7-48.6000112.3E148 V149 L182 T183E148-N187 HydrophobicContact CG-CB 3.57Å; E148-N187 WeakPolarHBondContact OE1-CB 3.26Å; E148-N187 PolarHBondContact OE1-ND2 3.4Å; V149-N187 WeakPolarHBondContact O-CB 3.25Å; L182-N187 CarbonylContact C-O 3.53Å; L182-N187 VanDerWaalsContact CA-O 3.29Å; L182-N187 WeakPolarHBondContact CA-O 3.02Å; T183-N187 PolarHBondContact N-O 2.75Å; T183-N187 PolarHBondContact OG1-N 2.82Å
188F98.4Very high95.3Very high36 Ų3649.1 Ų49.116%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-84.7157.3173.8-72.7-5000111.5E148 V149 S151 H154 L171 P180 L182E148-F188 WeakPolarHBondContact CA-O 3.4Å; V149-F188 HydrophobicContact CG2-CB 4.03Å; V149-F188 PolarHBondContact N-O 2.83Å; V149-F188 PolarHBondContact O-N 2.84Å; S151-F188 WeakPolarHBondContact OG-CD1 3.28Å; H154-F188 HydrophobicContact CB-CD2 4.13Å; H154-F188 AromaticContact CG-CD2 3.96Å; H154-F188 AromaticContact ND1-CD2 3.73Å; H154-F188 AromaticContact ND1-CE2 3.84Å; L171-F188 HydrophobicContact CD1-CB 3.78Å; L171-F188 HydrophobicContact CD1-CD2 3.7Å; L171-F188 HydrophobicContact CD1-CG 3.92Å; L171-F188 HydrophobicContact CD2-CD2 4.38Å; L171-F188 HydrophobicContact CD2-CE2 4.5Å; P180-F188 HydrophobicContact CB-CD1 3.84Å; P180-F188 HydrophobicContact CB-CD2 4.45Å; P180-F188 HydrophobicContact CB-CE1 3.75Å; P180-F188 HydrophobicContact CB-CE2 4.39Å; P180-F188 HydrophobicContact CB-CG 4.21Å; P180-F188 HydrophobicContact CB-CZ 4.05Å; P180-F188 HydrophobicContact CG-CD1 4.45Å; P180-F188 HydrophobicContact CG-CD2 4.49Å; P180-F188 HydrophobicContact CG-CE1 3.98Å; P180-F188 HydrophobicContact CG-CE2 4.04Å; P180-F188 HydrophobicContact CG-CZ 3.76Å; L182-F188 HydrophobicContact CD2-CD1 3.68Å; L182-F188 HydrophobicContact CD2-CE1 3.6Å
189I98.6Very high95.1Very high0 Ų046.7 Ų46.70%028%0.282CS..EExtended strand (participates in β ladder)trans-110127.5170-56.1168.7000109P146 L147 R172 V181 T183P146-I189 HydrophobicContact CB-CG2 4.36Å; L147-I189 CarbonylContact O-C 3.42Å; L147-I189 VanDerWaalsContact O-CA 3.29Å; L147-I189 WeakPolarHBondContact O-CA 3.07Å; R172-I189 HydrophobicContact CB-CB 4.02Å; R172-I189 HydrophobicContact CB-CG2 4.25Å; R172-I189 PolarHBondContact N-O 2.96Å; V181-I189 HydrophobicContact CB-CD1 4.45Å; V181-I189 HydrophobicContact CG1-CD1 3.81Å; T183-I189 HydrophobicContact CG2-CD1 3.93Å; T183-I189 HydrophobicContact CG2-CG1 3.54Å
190L98.5Very high94.8Very high1 Ų145.9 Ų45.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-112.3115.4173-168.975.3000108.6L147 V149 V157 K158 C169 E170L147-L190 HydrophobicContact CB-CB 4.36Å; L147-L190 WeakPolarHBondContact CB-O 3.3Å; L147-L190 PolarHBondContact N-O 2.52Å; L147-L190 PolarHBondContact O-N 2.7Å; V149-L190 HydrophobicContact CG1-CB 4.29Å; V149-L190 HydrophobicContact CG2-CB 4.29Å; V157-L190 HydrophobicContact CG1-CD2 4.11Å; K158-L190 HydrophobicContact CB-CD1 4.29Å; K158-L190 HydrophobicContact CB-CD2 3.89Å; C169-L190 HydrophobicContact CB-CD1 4.02Å; C169-L190 HydrophobicContact CB-CD2 3.76Å; C169-L190 HydrophobicContact CB-CG 3.82Å; E170-L190 CarbonylContact O-C 3.51Å; E170-L190 WeakPolarHBondContact O-CA 3.35Å
191D98.7Very high94.4Very high8 Ų849.7 Ų49.74%0.04330%0.297CS..EExtended strand (participates in β ladder)trans-88.1109.9177.8-70.5-38.6000109.4Y144 C169 E170 R172 Y193Y144-D191 HydrophobicContact CD2-CB 3.72Å; Y144-D191 WeakPolarHBondContact CD2-OD1 3.37Å; Y144-D191 HydrophobicContact CE2-CB 4.24Å; Y144-D191 VanDerWaalsContact CE2-OD1 3.3Å; Y144-D191 WeakPolarHBondContact CE2-OD1 3.1Å; Y144-D191 HydrophobicContact CG-CB 4.26Å; C169-D191 CarbonylContact C-O 3.55Å; C169-D191 WeakPolarHBondContact CA-O 3.31Å; E170-D191 PolarHBondContact N-O 3.46Å; E170-D191 PolarHBondContact O-N 2.78Å; R172-D191 IonicContact CZ-OD1 2.8Å; R172-D191 IonicContact CZ-OD2 3.49Å; R172-D191 IonicContact NE-OD1 3.35Å; R172-D191 IonicContact NE-OD2 3.29Å; R172-D191 PolarHBondContact NE-OD2 2.67Å; R172-D191 IonicContact NH2-OD1 3.46Å; R172-D191 PolarHBondContact NH2-OD1 3.01Å; R172-D191 IonicContact NH2-OD2 3.28Å; R172-D191 PolarHBondContact NH2-OD2 2.94Å; D191-Y193 HydrophobicContact CB-CD2 4.47Å; D191-Y193 HydrophobicContact CB-CE2 3.97Å; D191-Y193 PolarHBondContact O-N 3.48Å
192W98.5Very high94.2Very high0 Ų053.4 Ų53.40%032%0.316CS..EExtended strand (participates in β ladder)trans-86.9100.5174.4175.365.9000110.3Y144 I145 L147 I161 H165 G166 C169 M194 Y198 L207 M211Y144-W192 CarbonylContact C-O 3.55Å; Y144-W192 WeakPolarHBondContact CA-O 3.5Å; Y144-W192 WeakPolarHBondContact CB-O 3.22Å; I145-W192 HydrophobicContact CB-CE3 3.97Å; I145-W192 HydrophobicContact CG1-CE3 3.72Å; I145-W192 HydrophobicContact CG1-CZ3 3.94Å; I145-W192 PolarHBondContact N-O 3.34Å; I145-W192 PolarHBondContact O-N 3.31Å; L147-W192 HydrophobicContact CD1-CB 4.3Å; I161-W192 HydrophobicContact CG2-CB 4.34Å; I161-W192 VanDerWaalsContact CG2-CD1 3.49Å; I161-W192 HydrophobicContact CG2-CD2 4.34Å; I161-W192 HydrophobicContact CG2-CG 3.8Å; H165-W192 HydrophobicContact CB-CH2 4.32Å; H165-W192 HydrophobicContact CB-CZ2 3.62Å; G166-W192 PolarHBondContact O-NE1 3.35Å; C169-W192 VanDerWaalsContact SG-CD1 3.53Å; W192-M194 HydrophobicContact CE3-CG 3.79Å; W192-M194 HydrophobicContact CH2-CG 3.76Å; W192-M194 HydrophobicContact CZ2-CG 4.42Å; W192-M194 HydrophobicContact CZ3-CG 3.4Å; W192-M194 HydrophobicContact CZ3-SD 4.16Å; W192-M194 PolarHBondContact O-N 3.31Å; W192-Y198 HydrophobicContact CH2-CD1 4.17Å; W192-Y198 HydrophobicContact CH2-CD2 4.21Å; W192-Y198 AromaticContact CH2-CE1 3.79Å; W192-Y198 HydrophobicContact CH2-CE1 3.79Å; W192-Y198 AromaticContact CH2-CE2 3.81Å; W192-Y198 HydrophobicContact CH2-CE2 3.81Å; W192-Y198 HydrophobicContact CH2-CG 4.37Å; W192-Y198 AromaticContact CH2-CZ 3.6Å; W192-Y198 HydrophobicContact CZ2-CE2 4.2Å; W192-Y198 HydrophobicContact CZ3-CE1 4.37Å; W192-L207 HydrophobicContact CH2-CD2 4.2Å; W192-L207 HydrophobicContact CZ3-CD2 3.92Å; W192-M211 HydrophobicContact CD2-CE 3.75Å; W192-M211 HydrophobicContact CE3-CE 3.48Å; W192-M211 VanDerWaalsContact CE3-CE 3.48Å; W192-M211 HydrophobicContact CG-CE 4.33Å; W192-M211 HydrophobicContact CH2-CE 4.24Å; W192-M211 HydrophobicContact CZ3-CE 3.72Å
193Y98.3Very high94.2Very high83 Ų8351 Ų5133%0.32531%0.312SS..EExtended strand (participates in β ladder)trans-71.9121.1172-68.4-93.8000110.4Y144 G167 R168 E170 D191Y144-Y193 HydrophobicContact CD1-CD1 4.3Å; Y144-Y193 AromaticContact CD1-CE1 3.79Å; Y144-Y193 HydrophobicContact CD1-CE1 3.79Å; Y144-Y193 HydrophobicContact CG-CD1 4.45Å; Y144-Y193 HydrophobicContact CG-CE1 4.22Å; G167-Y193 VanDerWaalsContact CA-O 3.28Å; G167-Y193 WeakPolarHBondContact CA-O 3.4Å; R168-Y193 PolarHBondContact N-O 2.84Å; R168-Y193 WeakPolarHBondContact O-CB 3.16Å; R168-Y193 PolarHBondContact O-N 2.98Å; E170-Y193 HydrophobicContact CB-CD2 4.48Å; E170-Y193 HydrophobicContact CB-CE2 4.04Å; E170-Y193 HydrophobicContact CG-CD2 3.97Å; E170-Y193 HydrophobicContact CG-CE2 3.8Å; E170-Y193 WeakPolarHBondContact OE2-CE2 3.38Å; D191-Y193 HydrophobicContact CB-CD2 4.47Å; D191-Y193 HydrophobicContact CB-CE2 3.97Å; D191-Y193 PolarHBondContact O-N 3.48Å
194M96.5Very high94.1Very high23 Ų2352 Ų5211%0.11331%0.314CS..PPolyproline II helixtrans-71.5149.5-179-68.2177.8-77.300111W142 K143 I145 W192 Y198 W204W142-M194 VanDerWaalsContact O-CE 3.24Å; W142-M194 WeakPolarHBondContact O-CE 3.4Å; K143-M194 PolarHBondContact O-N 3.25Å; I145-M194 HydrophobicContact CD1-CE 4.35Å; I145-M194 HydrophobicContact CD1-SD 4.43Å; I145-M194 HydrophobicContact CG1-SD 4.39Å; W192-M194 HydrophobicContact CE3-CG 3.79Å; W192-M194 HydrophobicContact CH2-CG 3.76Å; W192-M194 HydrophobicContact CZ2-CG 4.42Å; W192-M194 HydrophobicContact CZ3-CG 3.4Å; W192-M194 HydrophobicContact CZ3-SD 4.16Å; W192-M194 PolarHBondContact O-N 3.31Å; M194-Y198 HydrophobicContact CB-CG 4.26Å; M194-Y198 HydrophobicContact CG-CD1 4.25Å; M194-Y198 HydrophobicContact CG-CG 4.41Å; M194-Y198 HydrophobicContact SD-CD1 3.95Å; M194-W204 HydrophobicContact SD-CH2 3.67Å; M194-W204 HydrophobicContact SD-CZ3 4.16Å
195P94.8Very high94.2Very high52 Ų5254.2 Ų54.234%0.33832%0.32SS..PPolyproline II helixtrans-50.7145.4162.9-25.833.7000111.7S197 Y198P195-S197 PolarHBondContact O-N 3.03Å; P195-Y198 HydrophobicContact CG-CD2 4.02Å; P195-Y198 VanDerWaalsContact O-CB 3.3Å; P195-Y198 WeakPolarHBondContact O-CB 3.1Å; P195-Y198 PolarHBondContact O-N 2.8Å
196S85.9Confident94.3Very high128 Ų12853.2 Ų53.290%0.89532%0.316SS*.THydrogen-bonded Turntrans-55.7-21.2-171.1-54.50000115.8
197S83.7Confident94.3Very high112 Ų11251.5 Ų51.578%0.78330%0.298SS*.THydrogen-bonded Turntrans-12732.7177.7-55.80000111.9P195 V199P195-S197 PolarHBondContact O-N 3.03Å; S197-V199 PolarHBondContact O-N 3.06Å
198Y89.4Confident94.3Very high46 Ų4652 Ų5218%0.1830%0.3CS..  trans-62.2126.8-177.9-172-98.2000111.2W192 M194 P195 A200 W204 L207W192-Y198 HydrophobicContact CH2-CD1 4.17Å; W192-Y198 HydrophobicContact CH2-CD2 4.21Å; W192-Y198 AromaticContact CH2-CE1 3.79Å; W192-Y198 HydrophobicContact CH2-CE1 3.79Å; W192-Y198 AromaticContact CH2-CE2 3.81Å; W192-Y198 HydrophobicContact CH2-CE2 3.81Å; W192-Y198 HydrophobicContact CH2-CG 4.37Å; W192-Y198 AromaticContact CH2-CZ 3.6Å; W192-Y198 HydrophobicContact CZ2-CE2 4.2Å; W192-Y198 HydrophobicContact CZ3-CE1 4.37Å; M194-Y198 HydrophobicContact CB-CG 4.26Å; M194-Y198 HydrophobicContact CG-CD1 4.25Å; M194-Y198 HydrophobicContact CG-CG 4.41Å; M194-Y198 HydrophobicContact SD-CD1 3.95Å; P195-Y198 HydrophobicContact CG-CD2 4.02Å; P195-Y198 VanDerWaalsContact O-CB 3.3Å; P195-Y198 WeakPolarHBondContact O-CB 3.1Å; P195-Y198 PolarHBondContact O-N 2.8Å; Y198-A200 HydrophobicContact CE1-CB 4Å; Y198-W204 HydrophobicContact CD1-CH2 4.26Å; Y198-W204 HydrophobicContact CE1-CH2 4.36Å; Y198-W204 HydrophobicContact CE1-CZ3 4.39Å; Y198-L207 HydrophobicContact CE1-CD2 3.91Å; Y198-L207 WeakPolarHBondContact OH-CD1 3.29Å
199V87.1Confident94.3Very high97 Ų9754.4 Ų54.459%0.58831%0.311SS*.  trans-121.9123.9166.1179.50000105.2S197 P201S197-V199 PolarHBondContact O-N 3.06Å; V199-P201 WeakPolarHBondContact O-CD 3.35Å
200A88.8Confident94.3Very high9 Ų958.3 Ų58.37%0.07433%0.329CS..  trans-59.2110177.100000108.8Y198 N202 G203 W204Y198-A200 HydrophobicContact CE1-CB 4Å; A200-N202 PolarHBondContact O-N 2.88Å; A200-N202 VanDerWaalsContact O-N 3.14Å; A200-G203 PolarHBondContact O-N 2.93Å; A200-W204 HydrophobicContact CB-CD2 4.14Å; A200-W204 HydrophobicContact CB-CE3 4.29Å
201P87.3Confident94.2Very high108 Ų10858.2 Ų58.270%0.70133%0.329SS*.THydrogen-bonded Turntrans-60.3-34.8-165.6-27.335.9000113.6V199V199-P201 WeakPolarHBondContact O-CD 3.35Å
202N93.8Very high94.2Very high116 Ų11661.3 Ų61.362%0.6234%0.342SS*.THydrogen-bonded Turntrans-111.218.2178.2-59-41000112A200 T206A200-N202 PolarHBondContact O-N 2.88Å; A200-N202 VanDerWaalsContact O-N 3.14Å; N202-T206 HydrophobicContact CB-CG2 3.77Å; N202-T206 PolarHBondContact O-OG1 3.3Å
203G95.4Very high94.2Very high34 Ų3468 Ų6835%0.35138%0.377SS..Hα-helixtrans82.8166.1-175.900000114.7A200 K205 T206 L207A200-G203 PolarHBondContact O-N 2.93Å; G203-K205 VanDerWaalsContact C-N 3.32Å; G203-K205 PolarHBondContact O-N 3.18Å; G203-T206 PolarHBondContact O-N 2.88Å; G203-L207 PolarHBondContact O-N 2.87Å
204W96.8Very high94.2Very high30 Ų3065.4 Ų65.411%0.11437%0.37CS..Hα-helixtrans-66.3-30.5-173.4-67.3109.2000114.2L138 I145 M194 Y198 A200 L207 H208 L222 I224L138-W204 HydrophobicContact CB-CD2 4.28Å; L138-W204 HydrophobicContact CB-CH2 4.16Å; L138-W204 HydrophobicContact CB-CZ2 3.5Å; L138-W204 HydrophobicContact CD1-CD2 4.02Å; L138-W204 HydrophobicContact CD1-CG 4.09Å; L138-W204 WeakPolarHBondContact O-CZ2 3.4Å; I145-W204 HydrophobicContact CD1-CZ3 4.31Å; M194-W204 HydrophobicContact SD-CH2 3.67Å; M194-W204 HydrophobicContact SD-CZ3 4.16Å; Y198-W204 HydrophobicContact CD1-CH2 4.26Å; Y198-W204 HydrophobicContact CE1-CH2 4.36Å; Y198-W204 HydrophobicContact CE1-CZ3 4.39Å; A200-W204 HydrophobicContact CB-CD2 4.14Å; A200-W204 HydrophobicContact CB-CE3 4.29Å; W204-L207 HydrophobicContact CE3-CD2 3.87Å; W204-L207 HydrophobicContact CZ3-CD2 3.77Å; W204-L207 PolarHBondContact O-N 3.14Å; W204-H208 WeakPolarHBondContact O-CB 3.44Å; W204-H208 PolarHBondContact O-N 2.97Å; W204-L222 HydrophobicContact CD2-CD2 4.42Å; W204-L222 HydrophobicContact CE3-CD1 4.3Å; W204-L222 HydrophobicContact CE3-CD2 3.57Å; W204-L222 HydrophobicContact CZ3-CD2 3.99Å; W204-I224 HydrophobicContact CB-CD1 3.53Å; W204-I224 HydrophobicContact CB-CG1 4Å; W204-I224 HydrophobicContact CB-CG2 4.46Å; W204-I224 HydrophobicContact CG-CD1 4.33Å
205K96.9Very high94.3Very high130 Ų13070 Ų7057%0.56540%0.401SS*.Hα-helixtrans-62.4-49.2177.1-176.5176.6172.8-179.10111.1G203 L207 H208 E209 I224G203-K205 VanDerWaalsContact C-N 3.32Å; G203-K205 PolarHBondContact O-N 3.18Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.95Å; K205-H208 WeakPolarHBondContact O-CB 3.01Å; K205-H208 PolarHBondContact O-N 3.34Å; K205-E209 WeakPolarHBondContact CE-OE1 3.41Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 2.98Å; K205-I224 HydrophobicContact CB-CG2 3.98Å
206T97.7Very high94.5Very high42 Ų4268.2 Ų68.226%0.25839%0.392SS..Hα-helixtrans-64.1-39.4178.7-60.70000111.6N202 G203 E209 Q210N202-T206 HydrophobicContact CB-CG2 3.77Å; N202-T206 PolarHBondContact O-OG1 3.3Å; G203-T206 PolarHBondContact O-N 2.88Å; T206-E209 PolarHBondContact O-N 3.37Å; T206-Q210 HydrophobicContact CG2-CG 4.28Å; T206-Q210 WeakPolarHBondContact O-CB 3.48Å; T206-Q210 VanDerWaalsContact O-CG 3.23Å; T206-Q210 WeakPolarHBondContact O-CG 3.4Å; T206-Q210 PolarHBondContact O-N 3.45Å
207L97.6Very high95.1Very high3 Ų362.7 Ų62.72%0.01635%0.353CS..Hα-helixtrans-61.1-46.4174.2-176.364.1000111.7W192 Y198 G203 W204 K205 E209 Q210 M211 L222W192-L207 HydrophobicContact CH2-CD2 4.2Å; W192-L207 HydrophobicContact CZ3-CD2 3.92Å; Y198-L207 HydrophobicContact CE1-CD2 3.91Å; Y198-L207 WeakPolarHBondContact OH-CD1 3.29Å; G203-L207 PolarHBondContact O-N 2.87Å; W204-L207 HydrophobicContact CE3-CD2 3.87Å; W204-L207 HydrophobicContact CZ3-CD2 3.77Å; W204-L207 PolarHBondContact O-N 3.14Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.95Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.44Å; L207-Q210 PolarHBondContact O-N 3.45Å; L207-M211 HydrophobicContact CD1-CE 3.92Å; L207-M211 HydrophobicContact CD1-CG 4.32Å; L207-M211 HydrophobicContact CD1-SD 4.45Å; L207-M211 HydrophobicContact CD2-CE 4.39Å; L207-M211 HydrophobicContact CG-CE 4.14Å; L207-M211 HydrophobicContact CG-CG 4.47Å; L207-M211 HydrophobicContact CG-SD 4.23Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.29Å; L207-L222 HydrophobicContact CB-CD1 4.46Å; L207-L222 HydrophobicContact CD2-CD1 4.13Å; L207-L222 HydrophobicContact CG-CD1 4.2Å
208H97.9Very high95.8Very high35 Ų3559.1 Ų59.116%0.16233%0.327CS..Hα-helixtrans-55.6-48.8175.8166.466.1000111.7W204 K205 M211 K212 E219 T220 L222W204-H208 WeakPolarHBondContact O-CB 3.44Å; W204-H208 PolarHBondContact O-N 2.97Å; K205-H208 WeakPolarHBondContact O-CB 3.01Å; K205-H208 PolarHBondContact O-N 3.34Å; H208-M211 PolarHBondContact O-N 3.4Å; H208-K212 VanDerWaalsContact CE1-CG 3.5Å; H208-K212 WeakPolarHBondContact CE1-CG 3.4Å; H208-K212 WeakPolarHBondContact O-CB 3.08Å; H208-K212 WeakPolarHBondContact O-CG 3.5Å; H208-K212 PolarHBondContact O-N 3.38Å; H208-E219 IonicContact CE1-OE1 3.9Å; H208-E219 PolarHBondContact CE1-OE1 2.79Å; H208-E219 VanDerWaalsContact CE1-OE1 3.29Å; H208-E219 IonicContact ND1-OE1 2.76Å; H208-T220 PolarHBondContact CE1-OG1 2.88Å; H208-T220 PolarHBondContact ND1-OG1 2.81Å; H208-L222 HydrophobicContact CB-CB 4.05Å; H208-L222 HydrophobicContact CB-CD1 3.95Å
209E98Very high96.2Very high85 Ų8558.1 Ų58.140%0.39732%0.324SS..Hα-helixtrans-62.4-46.3178.8-70.5166.7169.500111.9K205 T206 L207 M211 K212 L213K205-E209 WeakPolarHBondContact CE-OE1 3.41Å; K205-E209 WeakPolarHBondContact O-CG 3.45Å; K205-E209 PolarHBondContact O-N 2.98Å; T206-E209 PolarHBondContact O-N 3.37Å; L207-E209 VanDerWaalsContact C-N 3.35Å; L207-E209 PolarHBondContact O-N 3.44Å; E209-M211 PolarHBondContact O-N 2.95Å; E209-K212 PolarHBondContact O-N 2.77Å; E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.47Å; E209-L213 PolarHBondContact O-N 3.44Å
210Q97.9Very high96.8Very high82 Ų8253.5 Ų53.538%0.38330%0.296SS..Hα-helixtrans-59.6-46.2177.6-75174-21.300111.9H165 T206 L207 L213H165-Q210 PolarHBondContact CE1-OE1 2.94Å; T206-Q210 HydrophobicContact CG2-CG 4.28Å; T206-Q210 WeakPolarHBondContact O-CB 3.48Å; T206-Q210 VanDerWaalsContact O-CG 3.23Å; T206-Q210 WeakPolarHBondContact O-CG 3.4Å; T206-Q210 PolarHBondContact O-N 3.45Å; L207-Q210 PolarHBondContact O-N 3.45Å; Q210-L213 PolarHBondContact O-N 3.23Å
211M98Very high97.2Very high0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-64.1-41.5176.6-69.8-173.216100111.8L147 I161 W192 L207 H208 E209 L213 V214 V217 T220L147-M211 HydrophobicContact CD2-SD 3.79Å; I161-M211 HydrophobicContact CD1-CB 4.26Å; I161-M211 HydrophobicContact CD1-CE 4.47Å; I161-M211 HydrophobicContact CD1-CG 3.83Å; I161-M211 HydrophobicContact CG2-CE 4.11Å; W192-M211 HydrophobicContact CD2-CE 3.75Å; W192-M211 HydrophobicContact CE3-CE 3.48Å; W192-M211 VanDerWaalsContact CE3-CE 3.48Å; W192-M211 HydrophobicContact CG-CE 4.33Å; W192-M211 HydrophobicContact CH2-CE 4.24Å; W192-M211 HydrophobicContact CZ3-CE 3.72Å; L207-M211 HydrophobicContact CD1-CE 3.92Å; L207-M211 HydrophobicContact CD1-CG 4.32Å; L207-M211 HydrophobicContact CD1-SD 4.45Å; L207-M211 HydrophobicContact CD2-CE 4.39Å; L207-M211 HydrophobicContact CG-CE 4.14Å; L207-M211 HydrophobicContact CG-CG 4.47Å; L207-M211 HydrophobicContact CG-SD 4.23Å; L207-M211 WeakPolarHBondContact O-CB 3.36Å; L207-M211 VanDerWaalsContact O-CG 3.28Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.29Å; H208-M211 PolarHBondContact O-N 3.4Å; E209-M211 PolarHBondContact O-N 2.95Å; M211-L213 PolarHBondContact O-N 2.85Å; M211-V214 WeakPolarHBondContact O-CB 3.39Å; M211-V214 PolarHBondContact O-N 3.45Å; M211-V217 WeakPolarHBondContact O-CB 3.43Å; M211-V217 WeakPolarHBondContact O-CG2 3.28Å; M211-T220 HydrophobicContact CB-CG2 3.75Å; M211-T220 HydrophobicContact SD-CG2 4.4Å
212K97.9Very high97.7Very high73 Ų7348 Ų4832%0.31726%0.259SS..Hα-helixtrans-64.2-27.2177.7-85.2-62.5-60.3157.40113.8H208 E209 V214 V217 V218 T220H208-K212 VanDerWaalsContact CE1-CG 3.5Å; H208-K212 WeakPolarHBondContact CE1-CG 3.4Å; H208-K212 WeakPolarHBondContact O-CB 3.08Å; H208-K212 WeakPolarHBondContact O-CG 3.5Å; H208-K212 PolarHBondContact O-N 3.38Å; E209-K212 PolarHBondContact O-N 2.77Å; K212-V214 VanDerWaalsContact C-N 3.29Å; K212-V217 HydrophobicContact CD-CG1 4.39Å; K212-V217 PolarHBondContact NZ-O 3.29Å; K212-V218 PolarHBondContact NZ-O 2.93Å; K212-T220 HydrophobicContact CD-CG2 4.35Å; K212-T220 HydrophobicContact CG-CG2 4.2Å
213L98.2Very high98Very high141 Ų14142.5 Ų42.574%0.73823%0.229SC*.THydrogen-bonded Turntrans-76.2-13.5177.3-73.6168.9000113.5E209 Q210 M211 P215E209-L213 VanDerWaalsContact O-CG 3.29Å; E209-L213 WeakPolarHBondContact O-CG 3.47Å; E209-L213 PolarHBondContact O-N 3.44Å; Q210-L213 PolarHBondContact O-N 3.23Å; M211-L213 PolarHBondContact O-N 2.85Å; L213-P215 VanDerWaalsContact O-CD 3.31Å; L213-P215 WeakPolarHBondContact O-CD 3.34Å
214V98.4Very high98.1Very high28 Ų2842.3 Ų42.317%0.1722%0.22CC..SBendtrans-72.5120177.1-177.90000110.1V157 A160 I161 M211 K212 G216 V217V157-V214 HydrophobicContact CG2-CG1 4.18Å; A160-V214 HydrophobicContact CB-CG1 3.98Å; I161-V214 HydrophobicContact CD1-CG2 3.97Å; M211-V214 WeakPolarHBondContact O-CB 3.39Å; M211-V214 PolarHBondContact O-N 3.45Å; K212-V214 VanDerWaalsContact C-N 3.29Å; V214-G216 PolarHBondContact O-N 2.8Å; V214-V217 HydrophobicContact CB-CG2 3.9Å; V214-V217 HydrophobicContact CG1-CG2 4.3Å; V214-V217 WeakPolarHBondContact O-CB 3.48Å; V214-V217 PolarHBondContact O-N 2.97Å
215P98.4Very high98Very high119 Ų11942.7 Ų42.777%0.77323%0.233SC*.THydrogen-bonded Turntrans-56.9125.3178.3-26.736.2000112.3V157 L213V157-P215 WeakPolarHBondContact CG2-O 3.42Å; L213-P215 VanDerWaalsContact O-CD 3.31Å; L213-P215 WeakPolarHBondContact O-CD 3.34Å
216G98.4Very high98Very high15 Ų1538.9 Ų38.916%0.15522%0.216CC..THydrogen-bonded Turntrans102.3-12.3-176.700000114.5V149 L150 V214 V218V149-G216 CarbonylContact C-O 3.57Å; V149-G216 VanDerWaalsContact CA-O 3.23Å; V149-G216 WeakPolarHBondContact CA-O 3.17Å; L150-G216 PolarHBondContact N-O 3.22Å; V214-G216 PolarHBondContact O-N 2.8Å; G216-V218 PolarHBondContact O-N 2.75Å
217V98.7Very high98Very high11 Ų1137 Ų377%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-77.6113.9168.6177.20000109.7V149 V157 M211 K212 V214 T220V149-V217 HydrophobicContact CG1-CG2 4.38Å; V157-V217 HydrophobicContact CG1-CG2 3.55Å; V157-V217 HydrophobicContact CG2-CG2 4.16Å; M211-V217 WeakPolarHBondContact O-CB 3.43Å; M211-V217 WeakPolarHBondContact O-CG2 3.28Å; K212-V217 HydrophobicContact CD-CG1 4.39Å; K212-V217 PolarHBondContact NZ-O 3.29Å; V214-V217 HydrophobicContact CB-CG2 3.9Å; V214-V217 HydrophobicContact CG1-CG2 4.3Å; V214-V217 WeakPolarHBondContact O-CB 3.48Å; V214-V217 PolarHBondContact O-N 2.97Å; V217-T220 HydrophobicContact CG1-CG2 4.23Å
218V98.6Very high98.1Very high38 Ų3837.7 Ų37.723%0.2321%0.207CC..EExtended strand (participates in β ladder)trans-79.6-50177.3179.30000109.7T113 E148 L150 K212 G216T113-V218 HydrophobicContact CG2-CG1 4.03Å; E148-V218 HydrophobicContact CB-CB 4.18Å; E148-V218 HydrophobicContact CG-CB 3.95Å; E148-V218 HydrophobicContact CG-CG1 4.24Å; E148-V218 HydrophobicContact CG-CG2 4.43Å; E148-V218 WeakPolarHBondContact O-CA 3.28Å; E148-V218 WeakPolarHBondContact O-CB 3.27Å; E148-V218 PolarHBondContact O-N 3.39Å; L150-V218 HydrophobicContact CD2-CG2 3.92Å; L150-V218 HydrophobicContact CG-CG2 4.15Å; K212-V218 PolarHBondContact NZ-O 2.93Å; G216-V218 PolarHBondContact O-N 2.75Å
219E98.5Very high98.1Very high25 Ų2540 Ų4012%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-160.6160.9175-165.140.7-99.200111.4T113 K116 L147 E148 H208T113-E219 HydrophobicContact CG2-CB 4.24Å; T113-E219 WeakPolarHBondContact OG1-CB 3.33Å; K116-E219 HydrophobicContact CD-CG 4.05Å; K116-E219 VanDerWaalsContact NZ-CD 3.27Å; K116-E219 IonicContact NZ-OE1 2.78Å; K116-E219 PolarHBondContact NZ-OE1 3.4Å; L147-E219 CarbonylContact C-O 3.58Å; L147-E219 WeakPolarHBondContact CA-O 3.35Å; E148-E219 PolarHBondContact N-O 2.71Å; E148-E219 PolarHBondContact O-N 2.86Å; H208-E219 IonicContact CE1-OE1 3.9Å; H208-E219 PolarHBondContact CE1-OE1 2.79Å; H208-E219 VanDerWaalsContact CE1-OE1 3.29Å; H208-E219 IonicContact ND1-OE1 2.76Å
220T98.6Very high98.1Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-110.1153.8176.269.30000110.5K116 P146 L147 H208 M211 K212 V217 L222K116-T220 PolarHBondContact NZ-O 2.8Å; P146-T220 CarbonylContact O-C 3.54Å; L147-T220 HydrophobicContact CD2-CG2 3.78Å; H208-T220 PolarHBondContact CE1-OG1 2.88Å; H208-T220 PolarHBondContact ND1-OG1 2.81Å; M211-T220 HydrophobicContact CB-CG2 3.75Å; M211-T220 HydrophobicContact SD-CG2 4.4Å; K212-T220 HydrophobicContact CD-CG2 4.35Å; K212-T220 HydrophobicContact CG-CG2 4.2Å; V217-T220 HydrophobicContact CG1-CG2 4.23Å; T220-L222 PolarHBondContact O-N 2.7Å; T220-L222 VanDerWaalsContact O-N 3.12Å; T220-L222 PolarHBondContact OG1-N 2.79Å
221G98.5Very high98.2Very high0 Ų032.3 Ų32.30%018%0.179CC..SBendtrans-71.35.6171.700000114.6I105 K106 P146 F223I105-G221 CarbonylContact C-O 3.56Å; I105-G221 VanDerWaalsContact CA-O 3.31Å; I105-G221 WeakPolarHBondContact CA-O 3.37Å; K106-G221 PolarHBondContact N-O 2.76Å; K106-G221 WeakPolarHBondContact O-CA 3.37Å; P146-G221 WeakPolarHBondContact O-CA 3.35Å; P146-G221 PolarHBondContact O-N 2.85Å; G221-F223 WeakPolarHBondContact O-CD2 3.4Å
222L98.4Very high98.2Very high0 Ų032.3 Ų32.30%018%0.179CC..EExtended strand (participates in β ladder)trans-89.8115179.6-67.7171.2000110.7I105 K116 L138 I145 W204 L207 H208 T220 I224I105-L222 HydrophobicContact CG1-CD2 4.35Å; K116-L222 PolarHBondContact NZ-O 3.34Å; L138-L222 HydrophobicContact CD1-CD2 4.47Å; I145-L222 HydrophobicContact CD1-CD2 3.65Å; I145-L222 HydrophobicContact CD1-CG 4.31Å; I145-L222 HydrophobicContact CG1-CD2 4.28Å; I145-L222 HydrophobicContact CG2-CD1 4.32Å; I145-L222 HydrophobicContact CG2-CD2 4.39Å; I145-L222 HydrophobicContact CG2-CG 3.85Å; W204-L222 HydrophobicContact CD2-CD2 4.42Å; W204-L222 HydrophobicContact CE3-CD1 4.3Å; W204-L222 HydrophobicContact CE3-CD2 3.57Å; W204-L222 HydrophobicContact CZ3-CD2 3.99Å; L207-L222 HydrophobicContact CB-CD1 4.46Å; L207-L222 HydrophobicContact CD2-CD1 4.13Å; L207-L222 HydrophobicContact CG-CD1 4.2Å; H208-L222 HydrophobicContact CB-CB 4.05Å; H208-L222 HydrophobicContact CB-CD1 3.95Å; T220-L222 PolarHBondContact O-N 2.7Å; T220-L222 VanDerWaalsContact O-N 3.12Å; T220-L222 PolarHBondContact OG1-N 2.79Å; L222-I224 HydrophobicContact CB-CD1 4.11Å; L222-I224 HydrophobicContact CB-CG1 4.09Å; L222-I224 HydrophobicContact CD2-CD1 4.3Å
223F98.3Very high98.2Very high1 Ų128.9 Ų28.90%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-113.790.4177.7-72.1-115.5000108.1C104 K106 Q112 E115 K116 M119 G221 Y226C104-F223 HydrophobicContact CB-CB 4.09Å; C104-F223 PolarHBondContact N-O 3.07Å; C104-F223 PolarHBondContact O-N 3.44Å; K106-F223 HydrophobicContact CB-CD2 3.76Å; K106-F223 HydrophobicContact CB-CE2 3.49Å; K106-F223 VanDerWaalsContact CB-CE2 3.49Å; K106-F223 HydrophobicContact CB-CZ 4.13Å; K106-F223 HydrophobicContact CD-CD1 4.02Å; K106-F223 HydrophobicContact CD-CD2 3.88Å; K106-F223 HydrophobicContact CD-CE1 4.01Å; K106-F223 HydrophobicContact CD-CE2 3.95Å; K106-F223 HydrophobicContact CD-CG 3.93Å; K106-F223 HydrophobicContact CD-CZ 3.97Å; K106-F223 HydrophobicContact CG-CD2 4.18Å; K106-F223 HydrophobicContact CG-CE2 4.23Å; Q112-F223 HydrophobicContact CB-CE2 4.03Å; Q112-F223 HydrophobicContact CB-CZ 4.21Å; Q112-F223 WeakPolarHBondContact O-CZ 3.46Å; E115-F223 HydrophobicContact CB-CE1 4.38Å; E115-F223 HydrophobicContact CB-CZ 4.13Å; K116-F223 HydrophobicContact CB-CD1 4.41Å; K116-F223 HydrophobicContact CB-CE1 3.54Å; K116-F223 HydrophobicContact CB-CZ 3.71Å; K116-F223 HydrophobicContact CD-CE1 4.4Å; K116-F223 HydrophobicContact CG-CD1 4.19Å; K116-F223 HydrophobicContact CG-CE1 3.8Å; K116-F223 HydrophobicContact CG-CZ 4.26Å; M119-F223 HydrophobicContact CE-CD1 3.59Å; M119-F223 HydrophobicContact CE-CE1 3.6Å; M119-F223 HydrophobicContact SD-CD1 3.66Å; M119-F223 HydrophobicContact SD-CE1 4.08Å; G221-F223 WeakPolarHBondContact O-CD2 3.4Å; F223-Y226 HydrophobicContact CB-CD2 4.38Å
224I97.4Very high98.1Very high31 Ų3124.5 Ų24.516%0.15914%0.14CC..  trans-106124.4-167.8-49.4-52.5000109.3N103 L138 W204 K205 L222 Y226N103-I224 HydrophobicContact CB-CD1 3.8Å; N103-I224 WeakPolarHBondContact OD1-CG2 3.46Å; L138-I224 HydrophobicContact CD1-CD1 4.21Å; W204-I224 HydrophobicContact CB-CD1 3.53Å; W204-I224 HydrophobicContact CB-CG1 4Å; W204-I224 HydrophobicContact CB-CG2 4.46Å; W204-I224 HydrophobicContact CG-CD1 4.33Å; K205-I224 HydrophobicContact CB-CG2 3.98Å; L222-I224 HydrophobicContact CB-CD1 4.11Å; L222-I224 HydrophobicContact CB-CG1 4.09Å; L222-I224 HydrophobicContact CD2-CD1 4.3Å; I224-Y226 VanDerWaalsContact C-N 3.28Å; I224-Y226 WeakPolarHBondContact O-CD2 3.29Å; I224-Y226 PolarHBondContact O-N 3.42Å
225G95.3Very high97.8Very high38 Ų3826 Ų2639%0.39215%0.151SC..SBendtrans72.68.9178.500000116.5N103N103-G225 PolarHBondContact OD1-N 2.88Å
226Y97.4Very high97.6Very high50 Ų5025.7 Ų25.720%0.19614%0.142CC..  trans-81.7-46.7178.6-78.2-95.2000113.3M119 F223 I224 Q228 I250M119-Y226 HydrophobicContact CG-CD1 3.91Å; M119-Y226 HydrophobicContact SD-CD1 3.62Å; M119-Y226 HydrophobicContact SD-CE1 4.44Å; M119-Y226 HydrophobicContact SD-CG 3.78Å; F223-Y226 HydrophobicContact CB-CD2 4.38Å; I224-Y226 VanDerWaalsContact C-N 3.28Å; I224-Y226 WeakPolarHBondContact O-CD2 3.29Å; I224-Y226 PolarHBondContact O-N 3.42Å; Y226-Q228 PolarHBondContact O-N 3.35Å; Y226-I250 HydrophobicContact CD1-CD1 3.72Å; Y226-I250 HydrophobicContact CD1-CG1 3.86Å; Y226-I250 HydrophobicContact CD1-CG2 3.89Å; Y226-I250 HydrophobicContact CE1-CG2 3.82Å; Y226-I250 HydrophobicContact CG-CD1 4.46Å
227A98.3Very high97.4Very high1 Ų127.4 Ų27.41%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-73.7127.8-168.100000111.8L102 F125 V127 R248L102-A227 HydrophobicContact CB-CB 3.91Å; L102-A227 WeakPolarHBondContact CD1-O 3.24Å; F125-A227 HydrophobicContact CD1-CB 3.67Å; F125-A227 HydrophobicContact CE1-CB 3.94Å; V127-A227 HydrophobicContact CG2-CB 3.76Å; A227-R248 WeakPolarHBondContact O-CD 3.37Å; A227-R248 PolarHBondContact O-NH1 3.32Å
228Q98.4Very high97.3Very high19 Ų1931.4 Ų31.49%0.08918%0.181CC..EExtended strand (participates in β ladder)trans-83.3-39172.9177.652.331.600111.2Y124 F125 Y126 Y226 A244 N246Y124-Q228 HydrophobicContact CD1-CB 4.14Å; Y124-Q228 HydrophobicContact CD1-CG 4.02Å; Y124-Q228 HydrophobicContact CE1-CG 4.33Å; F125-Q228 PolarHBondContact O-N 2.9Å; Y126-Q228 HydrophobicContact CD1-CB 4.36Å; Y126-Q228 HydrophobicContact CE1-CB 3.97Å; Y126-Q228 HydrophobicContact CE1-CG 4Å; Y226-Q228 PolarHBondContact O-N 3.35Å; Q228-A244 WeakPolarHBondContact O-CB 3.47Å; Q228-A244 PolarHBondContact O-N 2.94Å; Q228-N246 PolarHBondContact NE2-O 3.38Å; Q228-N246 PolarHBondContact OE1-O 2.84Å; Q228-N246 VanDerWaalsContact OE1-O 3.1Å
229R98.5Very high97.2Very high84 Ų8431.3 Ų31.332%0.31718%0.18SC..EExtended strand (participates in β ladder)trans-145.2155.6174.8-57.1-174.5175.1165.31.9111.5H25 Y126 V127 Y231 L242 N243H25-R229 PolarHBondContact CE1-NH1 3.31Å; H25-R229 VanDerWaalsContact CE1-NH1 3.26Å; Y126-R229 WeakPolarHBondContact CA-O 3.36Å; Y126-R229 HydrophobicContact CD1-CB 3.85Å; Y126-R229 HydrophobicContact CD1-CG 4.26Å; Y126-R229 HydrophobicContact CE1-CB 4.29Å; Y126-R229 HydrophobicContact CE1-CG 4.18Å; V127-R229 PolarHBondContact N-O 3.46Å; R229-Y231 HydrophobicContact CB-CE2 4.19Å; R229-L242 CarbonylContact C-O 3.58Å; R229-L242 WeakPolarHBondContact CA-O 3.42Å; R229-L242 WeakPolarHBondContact CB-O 3.24Å; R229-N243 WeakPolarHBondContact CD-OD1 3.23Å; R229-N243 VanDerWaalsContact CG-OD1 3.25Å; R229-N243 WeakPolarHBondContact CG-OD1 3.34Å; R229-N243 PolarHBondContact NE-OD1 3.17Å
230A98.6Very high97.2Very high0 Ų032.6 Ų32.60%019%0.19CC..EExtended strand (participates in β ladder)trans-128.9136.1167.800000110.8V98 L102 V127 F232 T241 L242V98-A230 HydrophobicContact CG1-CB 4.3Å; L102-A230 HydrophobicContact CD2-CB 3.48Å; L102-A230 VanDerWaalsContact CD2-CB 3.48Å; V127-A230 HydrophobicContact CB-CB 3.81Å; V127-A230 HydrophobicContact CG2-CB 4.42Å; V127-A230 CarbonylContact O-C 3.56Å; V127-A230 WeakPolarHBondContact O-CA 3.41Å; A230-F232 HydrophobicContact CB-CD2 4.46Å; A230-F232 HydrophobicContact CB-CE2 3.57Å; A230-F232 HydrophobicContact CB-CZ 3.7Å; A230-T241 CarbonylContact O-C 3.58Å; A230-T241 WeakPolarHBondContact O-CA 3.48Å; A230-L242 PolarHBondContact N-O 3.49Å; A230-L242 PolarHBondContact O-N 2.99Å
231Y98.7Very high97.2Very high5 Ų535.1 Ų35.12%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-111.5121.7178-64-88000109.4E20 C21 H25 V127 A129 R229 V239 T241E20-Y231 HydrophobicContact CB-CD1 4.49Å; E20-Y231 HydrophobicContact CG-CD1 4Å; E20-Y231 HydrophobicContact CG-CE1 4.05Å; C21-Y231 HydrophobicContact CB-CD2 3.57Å; C21-Y231 HydrophobicContact CB-CE2 3.75Å; C21-Y231 HydrophobicContact CB-CG 4.12Å; H25-Y231 PolarHBondContact CD2-OH 3.24Å; H25-Y231 VanDerWaalsContact CD2-OH 3.28Å; H25-Y231 AromaticContact NE2-CE2 3.96Å; H25-Y231 AromaticContact NE2-CZ 3.79Å; H25-Y231 PolarHBondContact NE2-OH 3.2Å; V127-Y231 PolarHBondContact O-N 3.34Å; A129-Y231 PolarHBondContact N-O 3.02Å; R229-Y231 HydrophobicContact CB-CE2 4.19Å; Y231-V239 HydrophobicContact CD1-CG1 3.9Å; Y231-V239 HydrophobicContact CG-CG1 4.45Å; Y231-T241 HydrophobicContact CD1-CG2 4.06Å; Y231-T241 WeakPolarHBondContact CD1-OG1 3.33Å; Y231-T241 HydrophobicContact CE1-CG2 3.81Å
232F98.4Very high97.2Very high0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-113.6114.6-179.6-59.3-80.7000110.7V98 A129 K134 A230 M234 V239 V240 L242V98-F232 HydrophobicContact CB-CE1 4.1Å; V98-F232 HydrophobicContact CB-CZ 3.79Å; V98-F232 HydrophobicContact CG1-CZ 3.94Å; V98-F232 HydrophobicContact CG2-CE1 4.14Å; V98-F232 HydrophobicContact CG2-CZ 4.16Å; A129-F232 HydrophobicContact CB-CD1 4Å; A129-F232 HydrophobicContact CB-CE1 4.09Å; A129-F232 CarbonylContact O-C 3.57Å; A129-F232 VanDerWaalsContact O-CA 3.3Å; A129-F232 WeakPolarHBondContact O-CA 3.39Å; K134-F232 HydrophobicContact CB-CD1 3.78Å; K134-F232 HydrophobicContact CB-CE1 3.67Å; K134-F232 HydrophobicContact CB-CE2 4.43Å; K134-F232 HydrophobicContact CB-CG 4.2Å; K134-F232 HydrophobicContact CB-CZ 4.01Å; K134-F232 HydrophobicContact CD-CD2 4.19Å; K134-F232 HydrophobicContact CD-CE2 4.32Å; K134-F232 HydrophobicContact CD-CG 4.45Å; K134-F232 HydrophobicContact CG-CD1 4.48Å; K134-F232 HydrophobicContact CG-CD2 4.39Å; K134-F232 HydrophobicContact CG-CE1 4.21Å; K134-F232 HydrophobicContact CG-CE2 4.13Å; K134-F232 HydrophobicContact CG-CZ 4.03Å; A230-F232 HydrophobicContact CB-CD2 4.46Å; A230-F232 HydrophobicContact CB-CE2 3.57Å; A230-F232 HydrophobicContact CB-CZ 3.7Å; F232-M234 PolarHBondContact O-N 2.87Å; F232-V239 WeakPolarHBondContact O-CA 3.26Å; F232-V240 HydrophobicContact CB-CB 4.39Å; F232-V240 WeakPolarHBondContact CD2-O 3.46Å; F232-V240 PolarHBondContact N-O 2.79Å; F232-V240 PolarHBondContact O-N 3.41Å; F232-L242 HydrophobicContact CD2-CG 4.44Å; F232-L242 HydrophobicContact CE2-CB 4.38Å; F232-L242 HydrophobicContact CE2-CD1 3.75Å; F232-L242 HydrophobicContact CE2-CG 3.86Å; F232-L242 HydrophobicContact CZ-CD1 4.4Å
233G97.9Very high97.1Very high0 Ų041 Ų410%024%0.237CC..EExtended strand (participates in β ladder)trans-71.1126.8173.200000111.1A13 A129 H131A13-G233 VanDerWaalsContact O-CA 3.28Å; A13-G233 WeakPolarHBondContact O-CA 3.23Å; A129-G233 PolarHBondContact O-N 3.43Å; H131-G233 WeakPolarHBondContact CB-O 3.29Å; H131-G233 PolarHBondContact N-O 2.66Å
234M96.5Very high97.1Very high49 Ų4941.5 Ų41.524%0.24124%0.241CC..  trans-101.2150.5-178.7-55.6-56.7-64.600111.1H131 F232 D236 G237 N238 V240H131-M234 HydrophobicContact CB-CE 3.94Å; H131-M234 HydrophobicContact CB-SD 3.54Å; H131-M234 VanDerWaalsContact CB-SD 3.54Å; F232-M234 PolarHBondContact O-N 2.87Å; M234-D236 WeakPolarHBondContact CB-OD1 3.44Å; M234-D236 PolarHBondContact O-N 2.96Å; M234-G237 PolarHBondContact O-N 3.49Å; M234-N238 HydrophobicContact CB-CB 4.45Å; M234-N238 VanDerWaalsContact CB-O 3.26Å; M234-N238 WeakPolarHBondContact CB-O 3.38Å; M234-N238 WeakPolarHBondContact CG-O 3.48Å; M234-N238 PolarHBondContact N-O 3.45Å; M234-V240 HydrophobicContact CE-CG2 4.42Å; M234-V240 HydrophobicContact CG-CB 4.38Å; M234-V240 HydrophobicContact CG-CG2 3.72Å; M234-V240 HydrophobicContact SD-CB 4.13Å; M234-V240 HydrophobicContact SD-CG2 3.72Å
235P92.9Very high96.8Very high61 Ų6145.1 Ų45.140%0.39627%0.266SS..THydrogen-bonded Turntrans-66.4-13.3179.5-21.934.7000115.1H131 G237H131-P235 WeakPolarHBondContact CE1-CG 3.41Å; P235-G237 VanDerWaalsContact C-N 3.35Å
236D93.2Very high96.7Very high111 Ų11149.2 Ų49.259%0.59428%0.279SS*.THydrogen-bonded Turntrans-90.11.9179.665.9-10000113M234 N238M234-D236 WeakPolarHBondContact CB-OD1 3.44Å; M234-D236 PolarHBondContact O-N 2.96Å; D236-N238 WeakPolarHBondContact OD1-CB 3.43Å; D236-N238 PolarHBondContact OD1-N 3.47Å; D236-N238 PolarHBondContact OD1-ND2 2.94Å; D236-N238 PolarHBondContact OD2-ND2 3.05Å
237G93.7Very high96.6Very high51 Ų5151 Ų5153%0.52629%0.292SS..SBendtrans86.511.1-178.900000114.5L16 M234 P235L16-G237 VanDerWaalsContact CD2-C 3.43Å; L16-G237 WeakPolarHBondContact CD2-O 3.1Å; M234-G237 PolarHBondContact O-N 3.49Å; P235-G237 VanDerWaalsContact C-N 3.35Å
238N96.6Very high96.4Very high95 Ų9553.5 Ų53.551%0.50830%0.301SS..  trans-99163.5173.4-65.8-53.4000112.6M234 D236M234-N238 HydrophobicContact CB-CB 4.45Å; M234-N238 VanDerWaalsContact CB-O 3.26Å; M234-N238 WeakPolarHBondContact CB-O 3.38Å; M234-N238 WeakPolarHBondContact CG-O 3.48Å; M234-N238 PolarHBondContact N-O 3.45Å; D236-N238 WeakPolarHBondContact OD1-CB 3.43Å; D236-N238 PolarHBondContact OD1-N 3.47Å; D236-N238 PolarHBondContact OD1-ND2 2.94Å; D236-N238 PolarHBondContact OD2-ND2 3.05Å
239V98Very high96.2Very high36 Ų3656.8 Ų56.822%0.21832%0.315CS..EExtended strand (participates in β ladder)trans-115.1123.6168.8-176.10000109.5L16 E20 Y231 F232L16-V239 HydrophobicContact CB-CG2 4.35Å; L16-V239 HydrophobicContact CD1-CG2 4.45Å; L16-V239 HydrophobicContact CD2-CG2 3.54Å; L16-V239 HydrophobicContact CG-CG2 3.44Å; L16-V239 VanDerWaalsContact CG-CG2 3.44Å; E20-V239 HydrophobicContact CB-CG1 4.44Å; E20-V239 HydrophobicContact CB-CG2 4.06Å; E20-V239 HydrophobicContact CG-CB 4.37Å; E20-V239 HydrophobicContact CG-CG1 4.27Å; E20-V239 HydrophobicContact CG-CG2 4.32Å; Y231-V239 HydrophobicContact CD1-CG1 3.9Å; Y231-V239 HydrophobicContact CG-CG1 4.45Å; F232-V239 WeakPolarHBondContact O-CA 3.26Å
240V97.8Very high96.1Very high53 Ų5355 Ų5532%0.32131%0.312SS..EExtended strand (participates in β ladder)trans-92125.6169.6170.60000108.5F232 M234F232-V240 HydrophobicContact CB-CB 4.39Å; F232-V240 WeakPolarHBondContact CD2-O 3.46Å; F232-V240 PolarHBondContact N-O 2.79Å; F232-V240 PolarHBondContact O-N 3.41Å; M234-V240 HydrophobicContact CE-CG2 4.42Å; M234-V240 HydrophobicContact CG-CB 4.38Å; M234-V240 HydrophobicContact CG-CG2 3.72Å; M234-V240 HydrophobicContact SD-CB 4.13Å; M234-V240 HydrophobicContact SD-CG2 3.72Å
241T98.2Very high95.8Very high53 Ų5356.5 Ų56.533%0.32532%0.319SS..EExtended strand (participates in β ladder)trans-108.8133.4179.4-55.30000110.6A230 Y231A230-T241 CarbonylContact O-C 3.58Å; A230-T241 WeakPolarHBondContact O-CA 3.48Å; Y231-T241 HydrophobicContact CD1-CG2 4.06Å; Y231-T241 WeakPolarHBondContact CD1-OG1 3.33Å; Y231-T241 HydrophobicContact CE1-CG2 3.81Å
242L98Very high95.2Very high34 Ų3460.7 Ų60.718%0.17835%0.349CS..EExtended strand (participates in β ladder)trans-108.7139.7166.7-65.1-173.8000109.3L102 R229 A230 F232L102-L242 HydrophobicContact CD2-CB 3.58Å; L102-L242 HydrophobicContact CD2-CD1 4.3Å; L102-L242 HydrophobicContact CG-CB 4.5Å; R229-L242 CarbonylContact C-O 3.58Å; R229-L242 WeakPolarHBondContact CA-O 3.42Å; R229-L242 WeakPolarHBondContact CB-O 3.24Å; A230-L242 PolarHBondContact N-O 3.49Å; A230-L242 PolarHBondContact O-N 2.99Å; F232-L242 HydrophobicContact CD2-CG 4.44Å; F232-L242 HydrophobicContact CE2-CB 4.38Å; F232-L242 HydrophobicContact CE2-CD1 3.75Å; F232-L242 HydrophobicContact CE2-CG 3.86Å; F232-L242 HydrophobicContact CZ-CD1 4.4Å
243N97.9Very high94.6Very high90 Ų9065.8 Ų65.848%0.48138%0.375SS..EExtended strand (participates in β ladder)trans-120.6140.7-178.8-63.3-75000110.1R229R229-N243 WeakPolarHBondContact CD-OD1 3.23Å; R229-N243 VanDerWaalsContact CG-OD1 3.25Å; R229-N243 WeakPolarHBondContact CG-OD1 3.34Å; R229-N243 PolarHBondContact NE-OD1 3.17Å
244A96.9Very high93.6Very high10 Ų1069 Ų698%0.08339%0.393CS..  trans-62.3144.3167.200000109.4L102 Q228 N246 R248L102-A244 HydrophobicContact CD1-CB 3.99Å; Q228-A244 WeakPolarHBondContact O-CB 3.47Å; Q228-A244 PolarHBondContact O-N 2.94Å; A244-N246 WeakPolarHBondContact CB-O 3.18Å; A244-N246 PolarHBondContact O-N 3.27Å; A244-R248 HydrophobicContact CB-CG 3.88Å
245P91.7Very high92.4Very high108 Ų10871.8 Ų71.870%0.70140%0.4SS*.SBendtrans-66.6-24.2179.126.2-34.4000112.8
246N92.9Very high91.5Very high124 Ų12476 Ų7666%0.66342%0.419SS*.SBendtrans-125166.6-179.7-61.3-34.2000110.4Q228 A244 R248Q228-N246 PolarHBondContact NE2-O 3.38Å; Q228-N246 PolarHBondContact OE1-O 2.84Å; Q228-N246 VanDerWaalsContact OE1-O 3.1Å; A244-N246 WeakPolarHBondContact CB-O 3.18Å; A244-N246 PolarHBondContact O-N 3.27Å; N246-R248 PolarHBondContact O-N 3.23Å
247D94.8Very high90.6Very high86 Ų8680.9 Ų80.946%0.4643%0.43SS..  trans-72.790.2172.5-172.836.7000110.6Y124 K249Y124-D247 WeakPolarHBondContact CE1-OD1 3.38Å; Y124-D247 PolarHBondContact OH-OD1 3.03Å; Y124-D247 PolarHBondContact OH-OD2 2.99Å; D247-K249 PolarHBondContact O-N 3.08Å; D247-K249 VanDerWaalsContact O-N 3.12Å; D247-K249 VanDerWaalsContact OD2-CE 3.23Å; D247-K249 WeakPolarHBondContact OD2-CE 3.45Å; D247-K249 IonicContact OD2-NZ 3.66Å; D247-K249 PolarHBondContact OD2-NZ 2.63Å
248R94.8Very high89.4Confident55 Ų5582.7 Ų82.721%0.20843%0.426CS..  trans-80.883.5178-64.7-178.9-177.5167.9-2110.3E101 A227 A244 N246E101-R248 PolarHBondContact O-NH1 2.91Å; E101-R248 PolarHBondContact O-NH2 3.34Å; A227-R248 WeakPolarHBondContact O-CD 3.37Å; A227-R248 PolarHBondContact O-NH1 3.32Å; A244-R248 HydrophobicContact CB-CG 3.88Å; N246-R248 PolarHBondContact O-N 3.23Å
249K95.3Very high87.9Confident87 Ų8784.9 Ų84.938%0.37844%0.442SS..  trans-81.1129.4164.8-68.2174.4175.81220109.9K123 Y124 D247 C252K123-K249 HydrophobicContact CG-CD 4.41Å; K123-K249 HydrophobicContact CG-CG 4.12Å; K123-K249 CarbonylContact O-C 3.58Å; K123-K249 VanDerWaalsContact O-CA 3.26Å; K123-K249 WeakPolarHBondContact O-CA 3.29Å; Y124-K249 HydrophobicContact CD1-CG 4.49Å; Y124-K249 HydrophobicContact CE1-CG 3.72Å; Y124-K249 VanDerWaalsContact OH-CE 3.24Å; Y124-K249 WeakPolarHBondContact OH-CE 3.31Å; D247-K249 PolarHBondContact O-N 3.08Å; D247-K249 VanDerWaalsContact O-N 3.12Å; D247-K249 VanDerWaalsContact OD2-CE 3.23Å; D247-K249 WeakPolarHBondContact OD2-CE 3.45Å; D247-K249 IonicContact OD2-NZ 3.66Å; D247-K249 PolarHBondContact OD2-NZ 2.63Å; K249-C252 WeakPolarHBondContact CB-SG 3.5Å
250I96.1Very high86.2Confident47 Ų4793.1 Ų93.124%0.24148%0.484CS..SBendtrans-86.3-60.2179.7-59.4153.3000109.3M119 A122 K123 F125 Y226M119-I250 HydrophobicContact CG-CD1 4.03Å; A122-I250 WeakPolarHBondContact O-CB 3.27Å; K123-I250 PolarHBondContact O-N 3.07Å; F125-I250 HydrophobicContact CB-CD1 3.48Å; F125-I250 VanDerWaalsContact CB-CD1 3.48Å; Y226-I250 HydrophobicContact CD1-CD1 3.72Å; Y226-I250 HydrophobicContact CD1-CG1 3.86Å; Y226-I250 HydrophobicContact CD1-CG2 3.89Å; Y226-I250 HydrophobicContact CE1-CG2 3.82Å; Y226-I250 HydrophobicContact CG-CD1 4.46Å
251N91.3Very high85.6Confident31 Ų3195.1 Ų95.117%0.16649%0.492CS..  trans-104.3122.8175.1-160.7-40.6000111S120 A122 L253S120-N251 WeakPolarHBondContact O-CB 3.25Å; S120-N251 PolarHBondContact O-ND2 2.8Å; A122-N251 WeakPolarHBondContact O-CB 3.38Å; A122-N251 PolarHBondContact O-N 3.37Å; N251-L253 VanDerWaalsContact OD1-CB 3.26Å; N251-L253 WeakPolarHBondContact OD1-CB 3.26Å; N251-L253 VanDerWaalsContact OD1-CG 3.25Å; N251-L253 WeakPolarHBondContact OD1-CG 3.17Å; N251-L253 PolarHBondContact OD1-N 3.03Å
252C87.3Confident85Confident94 Ų9497.3 Ų97.364%0.63550%0.501SS*.  trans-112.512.3179.6-63.50000113.1K249K249-C252 WeakPolarHBondContact CB-SG 3.5Å
253L84.2Confident84.3Confident107 Ų107100.8 Ų100.856%0.5652%0.519SS*.  trans-66143.1176.3-62.4174.1000110.2L87 N251 M258L87-L253 HydrophobicContact CD1-CB 4.03Å; L87-L253 HydrophobicContact CD2-CB 3.83Å; L87-L253 HydrophobicContact CD2-CD1 4.14Å; N251-L253 VanDerWaalsContact OD1-CB 3.26Å; N251-L253 WeakPolarHBondContact OD1-CB 3.26Å; N251-L253 VanDerWaalsContact OD1-CG 3.25Å; N251-L253 WeakPolarHBondContact OD1-CG 3.17Å; N251-L253 PolarHBondContact OD1-N 3.03Å; L253-M258 HydrophobicContact CB-SD 4.32Å; L253-M258 HydrophobicContact CD1-CE 3.89Å; L253-M258 HydrophobicContact CD1-SD 4.41Å
254D77.2Confident83.5Confident68 Ų68101.5 Ų101.536%0.36452%0.521SS..  trans-93.2119.7179.2-179.1-1000109.6N256 R257D254-N256 PolarHBondContact O-N 3.21Å; D254-N256 VanDerWaalsContact O-N 3.14Å; D254-N256 WeakPolarHBondContact OD1-CB 3.46Å; D254-N256 PolarHBondContact OD1-N 2.95Å; D254-N256 PolarHBondContact OD1-ND2 3.42Å; D254-R257 HydrophobicContact CB-CB 4.28Å; D254-R257 HydrophobicContact CB-CG 4.02Å; D254-R257 PolarHBondContact O-N 2.94Å; D254-R257 IonicContact OD2-NE 3.52Å
255R72.6Confident82.6Confident106 Ų106107.2 Ų107.240%0.455%0.549SS..G310 helixtrans-52.4-34.2176.7-75.6-177.7-178.3157.37112.2L87 D89 R257 M258L87-R255 HydrophobicContact CB-CG 3.86Å; L87-R255 HydrophobicContact CD1-CB 4.21Å; L87-R255 HydrophobicContact CD1-CG 3.51Å; L87-R255 HydrophobicContact CG-CG 4.28Å; L87-R255 PolarHBondContact O-NE 2.94Å; L87-R255 PolarHBondContact O-NH2 3.18Å; D89-R255 VanDerWaalsContact CG-NH2 3.34Å; D89-R255 IonicContact OD1-CZ 3.49Å; D89-R255 IonicContact OD1-NH1 2.67Å; D89-R255 IonicContact OD1-NH2 2.69Å; D89-R255 IonicContact OD2-CZ 3.6Å; D89-R255 IonicContact OD2-NH1 3.79Å; D89-R255 PolarHBondContact OD2-NH1 3.39Å; D89-R255 IonicContact OD2-NH2 3.79Å; D89-R255 PolarHBondContact OD2-NH2 3.49Å; R255-R257 PolarHBondContact O-N 3Å; R255-M258 PolarHBondContact O-N 3.37Å
256N74.2Confident82Confident149 Ų149107.1 Ų107.180%0.79754%0.538SS*.G310 helixtrans-74.8-11.9-178.5-60.1-52.5000113.7D254D254-N256 PolarHBondContact O-N 3.21Å; D254-N256 VanDerWaalsContact O-N 3.14Å; D254-N256 WeakPolarHBondContact OD1-CB 3.46Å; D254-N256 PolarHBondContact OD1-N 2.95Å; D254-N256 PolarHBondContact OD1-ND2 3.42Å
257R73.3Confident81.2Confident214 Ų214105.9 Ų105.981%0.80853%0.529SS*.G310 helixtrans-103.50.6-179.3-64-174.5-176.6-162.2-3.9113.3D254 R255D254-R257 HydrophobicContact CB-CB 4.28Å; D254-R257 HydrophobicContact CB-CG 4.02Å; D254-R257 PolarHBondContact O-N 2.94Å; D254-R257 IonicContact OD2-NE 3.52Å; R255-R257 PolarHBondContact O-N 3Å
258M68.5Low80.2Confident90 Ų90107.5 Ų107.544%0.44354%0.535SS..  trans-100.1124.6-180-61-172.395.600110.1L87 L253 R255L87-M258 HydrophobicContact CD1-CG 4.47Å; L87-M258 HydrophobicContact CD1-SD 3.36Å; L87-M258 WeakPolarHBondContact CD1-SD 3.38Å; L87-M258 HydrophobicContact CD2-SD 4.04Å; L87-M258 HydrophobicContact CG-SD 3.71Å; L253-M258 HydrophobicContact CB-SD 4.32Å; L253-M258 HydrophobicContact CD1-CE 3.89Å; L253-M258 HydrophobicContact CD1-SD 4.41Å; R255-M258 PolarHBondContact O-N 3.37Å
259T65.5Low79Confident140 Ų140111.8 Ų111.886%0.85956%0.562SS**  trans-103.4125.6161.3490000107.3
260L62.6Low77.5Confident209 Ų209114.1 Ų114.1100%1.09458%0.579SS**  trans-73.30167.7-69.9171.4000110.4

Retrieved 260 of 260 residues in 191.5 ms (Link to these results)

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