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5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase

Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively. Also cleaves 5'-deoxyadenosine, a toxic by-product of radical S-adenosylmethionine (SAM) enzymes, into 5-deoxyribose and adenine.

AlphaFold DB (Q2FXX8), UniProt , Accession Q99TQ0, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene mtnN, Length 228 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
1M96.4Very high97.3Very high60 Ų6026.5 Ų26.530%0.29613%0.128SC..  0140.60-178.4173.9-72.300110.3E41 V43 F65 P67 D68M1-E41 CarbonylContact C-O 3.56Å; M1-E41 VanDerWaalsContact CA-O 3.31Å; M1-E41 WeakPolarHBondContact CA-O 3.31Å; M1-E41 HydrophobicContact CB-CB 4.43Å; M1-E41 HydrophobicContact CE-CB 4.17Å; M1-E41 HydrophobicContact CG-CB 4.36Å; M1-V43 HydrophobicContact CG-CG1 4.45Å; M1-V43 HydrophobicContact SD-CB 4.29Å; M1-V43 HydrophobicContact SD-CG1 4.11Å; M1-F65 HydrophobicContact SD-CB 3.91Å; M1-F65 HydrophobicContact SD-CD1 4.43Å; M1-P67 CarbonylContact O-C 3.51Å; M1-P67 VanDerWaalsContact O-CA 3.3Å; M1-P67 WeakPolarHBondContact O-CA 3.46Å; M1-D68 PolarHBondContact N-OD2 3.36Å; M1-D68 PolarHBondContact O-N 3.18Å
2I98.8Very high97.3Very high13 Ų1324.3 Ų24.37%0.06712%0.117CC..EExtended strand (participates in β ladder)trans-103.1130.3178.7-60.8159.3000109.9I4 R40 E41 V42 V43 V69 I71 V225 L228I2-I4 HydrophobicContact CG2-CG1 4.16Å; I2-R40 HydrophobicContact CD1-CB 4.04Å; I2-R40 HydrophobicContact CD1-CG 4.29Å; I2-E41 PolarHBondContact N-O 2.62Å; I2-V42 HydrophobicContact CB-CG1 4.14Å; I2-V42 HydrophobicContact CD1-CG1 4.48Å; I2-V42 CarbonylContact O-C 3.56Å; I2-V42 VanDerWaalsContact O-CA 3.26Å; I2-V42 WeakPolarHBondContact O-CA 3.45Å; I2-V43 PolarHBondContact O-N 2.94Å; I2-V69 HydrophobicContact CB-CG2 4.49Å; I2-V69 HydrophobicContact CG1-CG2 4.18Å; I2-V69 HydrophobicContact CG2-CG2 4.11Å; I2-I71 HydrophobicContact CG2-CD1 3.56Å; I2-I71 HydrophobicContact CG2-CG1 4.33Å; I2-V225 HydrophobicContact CD1-CB 4.45Å; I2-V225 HydrophobicContact CD1-CG1 3.99Å; I2-V225 HydrophobicContact CD1-CG2 4.31Å; I2-V225 HydrophobicContact CG2-CG2 4.5Å; I2-L228 HydrophobicContact CD1-CB 3.79Å; I2-L228 HydrophobicContact CD1-CD1 3.77Å; I2-L228 HydrophobicContact CD1-CG 4.42Å; I2-L228 HydrophobicContact CG1-CD1 4.09Å; I2-L228 HydrophobicContact CG2-CD1 4.35Å
3G98.9Very high97.3Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-91.9132171.100000111.3V43 V69 I70 I71G3-V43 CarbonylContact C-O 3.56Å; G3-V43 WeakPolarHBondContact CA-O 3.46Å; G3-V69 PolarHBondContact N-O 3.41Å; G3-I70 CarbonylContact O-C 3.5Å; G3-I70 WeakPolarHBondContact O-CA 3.33Å; G3-I71 PolarHBondContact O-N 3.47Å
4I98.9Very high97.3Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-123.6127.5175.4-55.6173.3000108.5I2 L15 L37 V43 I44 T45 I71 T73 V221 V225I2-I4 HydrophobicContact CG2-CG1 4.16Å; I4-L15 HydrophobicContact CD1-CD1 4.33Å; I4-L15 HydrophobicContact CG2-CD1 3.91Å; I4-L37 HydrophobicContact CD1-CD2 4.41Å; I4-V43 PolarHBondContact N-O 3.34Å; I4-I44 HydrophobicContact CB-CG1 4.2Å; I4-I44 HydrophobicContact CD1-CG1 4.26Å; I4-I44 CarbonylContact O-C 3.57Å; I4-I44 WeakPolarHBondContact O-CA 3.36Å; I4-T45 PolarHBondContact O-N 2.83Å; I4-I71 CarbonylContact C-O 3.57Å; I4-I71 VanDerWaalsContact CA-O 3.31Å; I4-I71 WeakPolarHBondContact CA-O 3.47Å; I4-I71 HydrophobicContact CG1-CD1 4.39Å; I4-T73 HydrophobicContact CG2-CG2 3.98Å; I4-V221 HydrophobicContact CD1-CG1 3.86Å; I4-V221 HydrophobicContact CG1-CG1 4.32Å; I4-V221 HydrophobicContact CG2-CG1 4.14Å; I4-V225 HydrophobicContact CD1-CG2 3.97Å
5I98.8Very high97.4Very high0 Ų024.9 Ų24.90%012%0.124CC..EExtended strand (participates in β ladder)trans-124.2117.5-175-49.9-171.4000109.4T45 T58 L61 I70 I71 N72 T73 I177I5-T45 HydrophobicContact CB-CG2 4Å; I5-T45 HydrophobicContact CD1-CG2 4.37Å; I5-T45 HydrophobicContact CG1-CG2 3.73Å; I5-T45 HydrophobicContact CG2-CG2 3.79Å; I5-T58 HydrophobicContact CD1-CG2 3.99Å; I5-T58 WeakPolarHBondContact CD1-OG1 3.41Å; I5-L61 HydrophobicContact CD1-CD1 4.2Å; I5-L61 HydrophobicContact CG1-CD1 3.97Å; I5-I70 HydrophobicContact CD1-CG2 3.77Å; I5-I70 HydrophobicContact CG1-CG2 4.06Å; I5-I71 PolarHBondContact N-O 2.78Å; I5-N72 CarbonylContact O-C 3.55Å; I5-N72 WeakPolarHBondContact O-CA 3.32Å; I5-N72 PolarHBondContact O-ND2 3.4Å; I5-T73 PolarHBondContact O-N 3.5Å; I5-I177 HydrophobicContact CB-CD1 4.13Å; I5-I177 HydrophobicContact CD1-CG2 4Å; I5-I177 HydrophobicContact CG2-CD1 3.67Å; I5-I177 HydrophobicContact CG2-CG1 4.43Å
6G98.5Very high97.4Very high0 Ų025.6 Ų25.60%013%0.126CC..EExtended strand (participates in β ladder)trans-117.2150.3166.400000110.3T45 Q46 S47G6-T45 PolarHBondContact N-O 2.91Å; G6-Q46 CarbonylContact O-C 3.45Å; G6-Q46 VanDerWaalsContact O-CA 3.3Å; G6-Q46 WeakPolarHBondContact O-CA 3.42Å; G6-S47 PolarHBondContact O-N 2.82Å; G6-S47 PolarHBondContact O-OG 2.9Å
7A97.6Very high97.4Very high3 Ų331.1 Ų31.13%0.02516%0.156CC..SBendtrans-77.1-41-178.400000111.9E11 Q46 S47 G48 I49 E173A7-E11 WeakPolarHBondContact CA-OE2 3.13Å; A7-E11 WeakPolarHBondContact CB-OE2 3.3Å; A7-E11 PolarHBondContact N-OE2 3.45Å; A7-Q46 WeakPolarHBondContact O-CG 3.48Å; A7-S47 WeakPolarHBondContact CA-OG 3.49Å; A7-G48 CarbonylContact O-C 3.52Å; A7-G48 VanDerWaalsContact O-CA 3.24Å; A7-G48 WeakPolarHBondContact O-CA 3.3Å; A7-G48 PolarHBondContact O-N 2.79Å; A7-I49 HydrophobicContact CB-CG1 4.31Å; A7-E173 HydrophobicContact CB-CG 3.8Å
8M95.7Very high97.5Very high34 Ų3433.9 Ų33.917%0.16717%0.167CC..SBendtrans-113.1163.4-170.9-60.1178.863.700112.9E10 E11 V12 I49 F206 L210M8-E10 VanDerWaalsContact C-N 3.33Å; M8-E10 WeakPolarHBondContact CB-OE2 3.48Å; M8-E10 PolarHBondContact O-N 3.12Å; M8-E11 HydrophobicContact CB-CG 4.18Å; M8-E11 PolarHBondContact N-OE2 2.62Å; M8-E11 PolarHBondContact O-N 2.97Å; M8-V12 PolarHBondContact O-N 3.44Å; M8-I49 HydrophobicContact CG-CD1 3.86Å; M8-I49 HydrophobicContact CG-CG1 3.83Å; M8-I49 HydrophobicContact SD-CD1 3.91Å; M8-I49 HydrophobicContact SD-CG1 4.39Å; M8-F206 HydrophobicContact CE-CZ 4.19Å; M8-F206 HydrophobicContact SD-CZ 3.81Å; M8-L210 HydrophobicContact CE-CD2 3.63Å; M8-L210 HydrophobicContact SD-CD2 4.2Å
9E94.9Very high97.5Very high95 Ų9533.1 Ų33.144%0.44416%0.163SC..Hα-helixtrans-65.7-39.4-178.6-178.6164.6-171.300111.3E11 V12 T13E9-E11 PolarHBondContact O-N 3.28Å; E9-V12 WeakPolarHBondContact O-CG2 3.38Å; E9-V12 PolarHBondContact O-N 3.43Å; E9-T13 WeakPolarHBondContact CG-OG1 3.37Å; E9-T13 WeakPolarHBondContact O-CB 3.3Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 PolarHBondContact O-OG1 2.66Å
10E95.2Very high97.5Very high85 Ų8535.6 Ų35.640%0.39718%0.18SC..Hα-helixtrans-58.4-36.7177.5-6285167.400111.4M8 L210M8-E10 VanDerWaalsContact C-N 3.33Å; M8-E10 WeakPolarHBondContact CB-OE2 3.48Å; M8-E10 PolarHBondContact O-N 3.12Å; E10-L210 HydrophobicContact CB-CD2 4.19Å; E10-L210 HydrophobicContact CB-CG 4.34Å; E10-L210 HydrophobicContact CG-CD2 4.05Å
11E96.4Very high97.5Very high2 Ų241.8 Ų41.81%0.00921%0.209CC..Hα-helixtrans-76.4-27.1-179-60.9177.2144.400112.9A7 M8 E9 G74 S75 R192A7-E11 WeakPolarHBondContact CA-OE2 3.13Å; A7-E11 WeakPolarHBondContact CB-OE2 3.3Å; A7-E11 PolarHBondContact N-OE2 3.45Å; M8-E11 HydrophobicContact CB-CG 4.18Å; M8-E11 PolarHBondContact N-OE2 2.62Å; M8-E11 PolarHBondContact O-N 2.97Å; E9-E11 PolarHBondContact O-N 3.28Å; E11-G74 WeakPolarHBondContact OE1-CA 3.38Å; E11-S75 PolarHBondContact OE1-N 2.97Å; E11-R192 IonicContact OE1-NH2 3.7Å; E11-R192 PolarHBondContact OE1-NH2 3.34Å
12V97.3Very high97.6Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-100.2-28.9-176.8-590000113.3M8 E9 I14 L15 K16 I44 T45 Q46M8-V12 PolarHBondContact O-N 3.44Å; E9-V12 WeakPolarHBondContact O-CG2 3.38Å; E9-V12 PolarHBondContact O-N 3.43Å; V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 3.41Å; V12-L15 PolarHBondContact O-N 2.96Å; V12-K16 WeakPolarHBondContact O-CB 3.26Å; V12-K16 PolarHBondContact O-N 3.03Å; V12-I44 HydrophobicContact CB-CG2 3.92Å; V12-I44 HydrophobicContact CG1-CG2 4.1Å; V12-T45 WeakPolarHBondContact CG1-O 3.31Å; V12-Q46 HydrophobicContact CG1-CB 4.4Å; V12-Q46 HydrophobicContact CG2-CB 4.18Å
13T97.2Very high97.5Very high37 Ų3745.6 Ų45.623%0.22724%0.236CC..Hα-helixtrans-64-35.8-169.6-68.20000112.1E9 L15 K16 N17E9-T13 WeakPolarHBondContact CG-OG1 3.37Å; E9-T13 WeakPolarHBondContact O-CB 3.3Å; E9-T13 PolarHBondContact O-N 2.92Å; E9-T13 PolarHBondContact O-OG1 2.66Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.83Å; T13-K16 PolarHBondContact O-N 2.89Å; T13-N17 WeakPolarHBondContact CG2-ND2 3.29Å; T13-N17 WeakPolarHBondContact O-CB 3.42Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 PolarHBondContact O-ND2 2.91Å
14I97.6Very high97.4Very high44 Ų4450.4 Ų50.423%0.22626%0.258CS..Hα-helixtrans-59.9-45.5178.9-60.5172.2000111.1V12 K18 A214 V215V12-I14 VanDerWaalsContact C-N 3.3Å; V12-I14 PolarHBondContact O-N 3.41Å; I14-K18 WeakPolarHBondContact O-CG 3.34Å; I14-A214 HydrophobicContact CD1-CB 3.96Å; I14-V215 HydrophobicContact CD1-CB 4.37Å; I14-V215 HydrophobicContact CD1-CG2 3.74Å
15L98.2Very high97.3Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-76.9-41.7179.4-67.8174.2000111.7I4 V12 T13 N17 K18 L37 I44 S218 V221 E222I4-L15 HydrophobicContact CD1-CD1 4.33Å; I4-L15 HydrophobicContact CG2-CD1 3.91Å; V12-L15 PolarHBondContact O-N 2.96Å; T13-L15 VanDerWaalsContact C-N 3.35Å; T13-L15 PolarHBondContact O-N 2.83Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.29Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 2.88Å; L15-L37 HydrophobicContact CD2-CD2 4.12Å; L15-I44 HydrophobicContact CB-CD1 3.57Å; L15-S218 WeakPolarHBondContact CD2-O 3.3Å; L15-V221 HydrophobicContact CD1-CB 4.16Å; L15-V221 HydrophobicContact CD1-CG1 3.73Å; L15-E222 HydrophobicContact CD2-CB 3.9Å
16K97.8Very high97.1Very high37 Ų3756.8 Ų56.816%0.16130%0.297CS..Hα-helixtrans-52.7-46.3174.8172.9-167.1166.9177.90111.6V12 T13 K18 L19 Y33V12-K16 WeakPolarHBondContact O-CB 3.26Å; V12-K16 PolarHBondContact O-N 3.03Å; T13-K16 PolarHBondContact O-N 2.89Å; K16-K18 PolarHBondContact O-N 2.86Å; K16-K18 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 WeakPolarHBondContact O-CG 3.35Å; K16-L19 PolarHBondContact O-N 3.4Å; K16-Y33 HydrophobicContact CD-CD1 3.89Å; K16-Y33 HydrophobicContact CD-CD2 4.11Å; K16-Y33 HydrophobicContact CD-CE1 3.69Å; K16-Y33 HydrophobicContact CD-CE2 3.93Å; K16-Y33 HydrophobicContact CD-CG 4.07Å; K16-Y33 HydrophobicContact CG-CD1 4.1Å; K16-Y33 HydrophobicContact CG-CD2 4.28Å; K16-Y33 HydrophobicContact CG-CE1 4.4Å; K16-Y33 HydrophobicContact CG-CG 4.01Å; K16-Y33 PolarHBondContact NZ-OH 3.48Å
17N98Very high96.9Very high119 Ų11959.3 Ų59.364%0.63631%0.312SS*.THydrogen-bonded Turntrans-67.9-11.1-178-71.3-12.4000113.6T13 L15T13-N17 WeakPolarHBondContact CG2-ND2 3.29Å; T13-N17 WeakPolarHBondContact O-CB 3.42Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 PolarHBondContact O-ND2 2.91Å; L15-N17 VanDerWaalsContact C-N 3.29Å; L15-N17 PolarHBondContact O-N 3.29Å
18K98Very high96.7Very high82 Ų8263.4 Ų63.436%0.35735%0.346SS..THydrogen-bonded Turntrans-97.3-3.9175.4-64.9175.5-179.6176.60113I14 L15 K16 L37 E222I14-K18 WeakPolarHBondContact O-CG 3.34Å; L15-K18 WeakPolarHBondContact O-CB 3.33Å; L15-K18 PolarHBondContact O-N 2.88Å; K16-K18 PolarHBondContact O-N 2.86Å; K16-K18 VanDerWaalsContact O-N 3.13Å; K18-L37 HydrophobicContact CB-CD1 3.66Å; K18-E222 WeakPolarHBondContact CD-OE2 3.47Å; K18-E222 IonicContact NZ-OE1 2.75Å; K18-E222 IonicContact NZ-OE2 3.75Å; K18-E222 PolarHBondContact NZ-OE2 3.29Å
19L98.5Very high96.5Very high18 Ų1865.8 Ų65.89%0.09436%0.357CS..  trans-69.9133.3177.1-63.6-175.8000111.1K16 L22 L37 V42 I44K16-L19 WeakPolarHBondContact O-CB 3.48Å; K16-L19 WeakPolarHBondContact O-CG 3.35Å; K16-L19 PolarHBondContact O-N 3.4Å; L19-L22 HydrophobicContact CB-CB 4.44Å; L19-L22 HydrophobicContact CB-CD1 4.31Å; L19-L22 HydrophobicContact CD1-CD1 3.74Å; L19-L37 HydrophobicContact CD2-CB 3.84Å; L19-V42 HydrophobicContact CD2-CG2 3.27Å; L19-I44 HydrophobicContact CD1-CD1 3.86Å; L19-I44 HydrophobicContact CD1-CG1 4.35Å; L19-I44 HydrophobicContact CD2-CD1 3.99Å; L19-I44 HydrophobicContact CG-CD1 4.03Å
20T98.2Very high96.6Very high82 Ų8261.3 Ų61.350%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-97.1155.8161.266.70000109.4L22 G35 I36T20-L22 PolarHBondContact O-N 2.84Å; T20-G35 CarbonylContact O-C 3.53Å; T20-G35 WeakPolarHBondContact O-CA 3.47Å; T20-I36 PolarHBondContact N-O 2.9Å; T20-I36 PolarHBondContact O-N 3.36Å; T20-I36 WeakPolarHBondContact OG1-CB 3.35Å; T20-I36 PolarHBondContact OG1-O 2.91Å
21Q97.2Very high96.5Very high167 Ų16760.8 Ų60.878%0.7833%0.332SS*.EExtended strand (participates in β ladder)trans54.738.1-173.7-51.3-175.612.100113.1S23Q21-S23 PolarHBondContact O-N 2.95Å
22L97.8Very high96.6Very high84 Ų8460.7 Ų60.744%0.4433%0.332SS..EExtended strand (participates in β ladder)trans-57.5126.8-178.7176.464.1000111.2L19 T20 Y33 T34L19-L22 HydrophobicContact CB-CB 4.44Å; L19-L22 HydrophobicContact CB-CD1 4.31Å; L19-L22 HydrophobicContact CD1-CD1 3.74Å; T20-L22 PolarHBondContact O-N 2.84Å; L22-Y33 HydrophobicContact CD1-CD1 4.16Å; L22-Y33 HydrophobicContact CD1-CG 4.44Å; L22-T34 CarbonylContact C-O 3.53Å; L22-T34 WeakPolarHBondContact CA-O 3.44Å
23S97.9Very high96.7Very high69 Ų6960.9 Ų60.948%0.48333%0.332SS..EExtended strand (participates in β ladder)trans-128.7144166.2-173.20000109.5Q21 Y33 T34Q21-S23 PolarHBondContact O-N 2.95Å; S23-Y33 CarbonylContact O-C 3.59Å; S23-Y33 WeakPolarHBondContact O-CA 3.49Å; S23-T34 WeakPolarHBondContact CB-OG1 3.37Å; S23-T34 PolarHBondContact N-O 3.24Å; S23-T34 PolarHBondContact O-N 2.63Å
24E96.8Very high96.7Very high100 Ų10060.5 Ų60.547%0.46733%0.33SS..EExtended strand (participates in β ladder)trans-119.1136.4-178.5-176.9176.1161.400110.3F32 Y33E24-F32 VanDerWaalsContact CA-O 3.32Å; E24-F32 WeakPolarHBondContact CA-O 3.32Å; E24-Y33 HydrophobicContact CB-CD1 4.19Å; E24-Y33 HydrophobicContact CB-CE1 4.41Å; E24-Y33 HydrophobicContact CG-CD1 3.99Å; E24-Y33 HydrophobicContact CG-CE1 3.83Å; E24-Y33 WeakPolarHBondContact OE2-CE1 2.89Å
25I95.1Very high96.8Very high64 Ų6458.9 Ų58.933%0.32832%0.324SS..EExtended strand (participates in β ladder)trans-140.9138170.1-176.3173.7000109.7V27 F32 F65I25-V27 HydrophobicContact CG1-CG2 4.48Å; I25-F32 HydrophobicContact CG2-CB 3.81Å; I25-F32 HydrophobicContact CG2-CD2 4.29Å; I25-F32 HydrophobicContact CG2-CG 4.48Å; I25-F32 PolarHBondContact N-O 3.22Å; I25-F32 PolarHBondContact O-N 2.9Å; I25-F65 HydrophobicContact CG2-CZ 3.82Å
26S94.9Very high96.8Very high71 Ų7160.5 Ų60.550%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-111.5135.3176.6-59.70000110.8V30S26-V30 VanDerWaalsContact CA-O 3.29Å; S26-V30 WeakPolarHBondContact CA-O 3.33Å
27V94.2Very high96.8Very high53 Ų5358.9 Ų58.932%0.32133%0.326SS..EExtended strand (participates in β ladder)trans-136.4122.5173.1-175.60000108I25 H29 V30 F32 L60I25-V27 HydrophobicContact CG1-CG2 4.48Å; V27-H29 PolarHBondContact O-N 3.37Å; V27-V30 PolarHBondContact N-O 2.8Å; V27-V30 WeakPolarHBondContact O-CB 3.31Å; V27-V30 PolarHBondContact O-N 3.29Å; V27-F32 HydrophobicContact CB-CE2 4.28Å; V27-F32 HydrophobicContact CG2-CE2 4.4Å; V27-L60 HydrophobicContact CB-CD1 4.34Å; V27-L60 HydrophobicContact CG1-CD1 4.09Å; V27-L60 HydrophobicContact CG1-CD2 4.07Å
28A94.1Very high96.7Very high88 Ų8858 Ų5873%0.72732%0.316SS*.THydrogen-bonded Turntrans54.8-128.6-168.200000111.4V30A28-V30 VanDerWaalsContact C-N 3.29Å
29H92.2Very high96.7Very high85 Ų8561.5 Ų61.539%0.39434%0.339SS..THydrogen-bonded Turntrans-84-4175.971.2-73.3000113.5V27 S47V27-H29 PolarHBondContact O-N 3.37Å; H29-S47 PolarHBondContact CD2-O 2.81Å; H29-S47 PolarHBondContact NE2-O 2.83Å
30V95Very high96.6Very high0 Ų066 Ų660%036%0.355CS..EExtended strand (participates in β ladder)trans-96.3126.4-165.2-1680000110.5S26 V27 A28 F32 T45 I56 S57 L60S26-V30 VanDerWaalsContact CA-O 3.29Å; S26-V30 WeakPolarHBondContact CA-O 3.33Å; V27-V30 PolarHBondContact N-O 2.8Å; V27-V30 WeakPolarHBondContact O-CB 3.31Å; V27-V30 PolarHBondContact O-N 3.29Å; A28-V30 VanDerWaalsContact C-N 3.29Å; V30-F32 HydrophobicContact CB-CE2 4.04Å; V30-F32 HydrophobicContact CB-CZ 4.05Å; V30-F32 HydrophobicContact CG1-CD1 4.42Å; V30-F32 HydrophobicContact CG1-CD2 4.41Å; V30-F32 HydrophobicContact CG1-CE1 3.75Å; V30-F32 HydrophobicContact CG1-CE2 3.75Å; V30-F32 HydrophobicContact CG1-CZ 3.38Å; V30-T45 WeakPolarHBondContact CG1-OG1 3.42Å; V30-I56 HydrophobicContact CG2-CG2 4.47Å; V30-S57 WeakPolarHBondContact CG2-OG 3.28Å; V30-L60 HydrophobicContact CB-CD1 4.43Å; V30-L60 HydrophobicContact CG2-CD1 3.97Å
31K94.9Very high96.7Very high74 Ų7467.7 Ų67.732%0.32236%0.357SS..EExtended strand (participates in β ladder)trans-100.9124173.2-64.1-178.5-176.4173.10109.9Y33 T45 Q46K31-Y33 HydrophobicContact CB-CE2 4.19Å; K31-T45 VanDerWaalsContact O-CA 3.32Å; K31-T45 WeakPolarHBondContact O-CA 3.32Å; K31-T45 PolarHBondContact O-OG1 2.8Å; K31-Q46 PolarHBondContact O-N 3.14Å
32F97.6Very high96.7Very high1 Ų159.7 Ų59.70%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-107.1130.3174.3-59.4-76.3000110.4E24 I25 V27 V30 V43 I44 T45 L60 L61 F65E24-F32 VanDerWaalsContact CA-O 3.32Å; E24-F32 WeakPolarHBondContact CA-O 3.32Å; I25-F32 HydrophobicContact CG2-CB 3.81Å; I25-F32 HydrophobicContact CG2-CD2 4.29Å; I25-F32 HydrophobicContact CG2-CG 4.48Å; I25-F32 PolarHBondContact N-O 3.22Å; I25-F32 PolarHBondContact O-N 2.9Å; V27-F32 HydrophobicContact CB-CE2 4.28Å; V27-F32 HydrophobicContact CG2-CE2 4.4Å; V30-F32 HydrophobicContact CB-CE2 4.04Å; V30-F32 HydrophobicContact CB-CZ 4.05Å; V30-F32 HydrophobicContact CG1-CD1 4.42Å; V30-F32 HydrophobicContact CG1-CD2 4.41Å; V30-F32 HydrophobicContact CG1-CE1 3.75Å; V30-F32 HydrophobicContact CG1-CE2 3.75Å; V30-F32 HydrophobicContact CG1-CZ 3.38Å; F32-V43 HydrophobicContact CB-CG2 4.09Å; F32-V43 HydrophobicContact CD1-CG2 3.98Å; F32-V43 HydrophobicContact CG-CG2 4.47Å; F32-I44 WeakPolarHBondContact CA-O 3.39Å; F32-T45 HydrophobicContact CE1-CG2 4.4Å; F32-T45 WeakPolarHBondContact CE1-OG1 3.49Å; F32-L60 HydrophobicContact CE2-CB 4.27Å; F32-L60 HydrophobicContact CZ-CB 3.73Å; F32-L61 HydrophobicContact CD1-CG 4.48Å; F32-L61 HydrophobicContact CE1-CB 3.72Å; F32-L61 HydrophobicContact CE1-CD1 4.3Å; F32-L61 HydrophobicContact CE1-CG 4.09Å; F32-L61 HydrophobicContact CZ-CB 4.44Å; F32-F65 HydrophobicContact CB-CE2 3.86Å; F32-F65 HydrophobicContact CB-CZ 3.9Å; F32-F65 HydrophobicContact CD1-CD2 4.31Å; F32-F65 AromaticContact CD1-CE2 3.67Å; F32-F65 HydrophobicContact CD1-CE2 3.67Å; F32-F65 AromaticContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CZ 4.45Å; F32-F65 HydrophobicContact CE1-CE2 4.21Å; F32-F65 HydrophobicContact CE2-CE2 4.45Å; F32-F65 AromaticContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CZ 4.05Å
33Y98.4Very high96.8Very high3 Ų355.7 Ų55.71%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-114108.4173.7-53.4-75.3000108.6K16 L22 S23 E24 K31 V43 I44K16-Y33 HydrophobicContact CD-CD1 3.89Å; K16-Y33 HydrophobicContact CD-CD2 4.11Å; K16-Y33 HydrophobicContact CD-CE1 3.69Å; K16-Y33 HydrophobicContact CD-CE2 3.93Å; K16-Y33 HydrophobicContact CD-CG 4.07Å; K16-Y33 HydrophobicContact CG-CD1 4.1Å; K16-Y33 HydrophobicContact CG-CD2 4.28Å; K16-Y33 HydrophobicContact CG-CE1 4.4Å; K16-Y33 HydrophobicContact CG-CG 4.01Å; K16-Y33 PolarHBondContact NZ-OH 3.48Å; L22-Y33 HydrophobicContact CD1-CD1 4.16Å; L22-Y33 HydrophobicContact CD1-CG 4.44Å; S23-Y33 CarbonylContact O-C 3.59Å; S23-Y33 WeakPolarHBondContact O-CA 3.49Å; E24-Y33 HydrophobicContact CB-CD1 4.19Å; E24-Y33 HydrophobicContact CB-CE1 4.41Å; E24-Y33 HydrophobicContact CG-CD1 3.99Å; E24-Y33 HydrophobicContact CG-CE1 3.83Å; E24-Y33 WeakPolarHBondContact OE2-CE1 2.89Å; K31-Y33 HydrophobicContact CB-CE2 4.19Å; Y33-V43 CarbonylContact O-C 3.56Å; Y33-V43 WeakPolarHBondContact O-CA 3.46Å; Y33-I44 PolarHBondContact N-O 2.97Å; Y33-I44 PolarHBondContact O-N 2.87Å
34T98.6Very high96.8Very high29 Ų2952.4 Ų52.418%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-97.1146.2175.160.30000110.4L22 S23 V42 V43 F65L22-T34 CarbonylContact C-O 3.53Å; L22-T34 WeakPolarHBondContact CA-O 3.44Å; S23-T34 WeakPolarHBondContact CB-OG1 3.37Å; S23-T34 PolarHBondContact N-O 3.24Å; S23-T34 PolarHBondContact O-N 2.63Å; T34-V42 WeakPolarHBondContact CA-O 3.1Å; T34-V43 HydrophobicContact CG2-CB 4.09Å; T34-V43 HydrophobicContact CG2-CG2 3.92Å; T34-F65 HydrophobicContact CG2-CD1 3.99Å; T34-F65 HydrophobicContact CG2-CE1 3.48Å; T34-F65 VanDerWaalsContact CG2-CE1 3.48Å; T34-F65 HydrophobicContact CG2-CZ 4.03Å
35G98.4Very high96.9Very high10 Ų1047.7 Ų47.710%0.10325%0.253CS..EExtended strand (participates in β ladder)trans175.9-163.5173.500000112T20 V42T20-G35 CarbonylContact O-C 3.53Å; T20-G35 WeakPolarHBondContact O-CA 3.47Å; G35-V42 PolarHBondContact N-O 3.29Å; G35-V42 PolarHBondContact O-N 2.9Å
36I98.6Very high96.9Very high35 Ų3546.8 Ų46.818%0.17925%0.248CC..EExtended strand (participates in β ladder)trans-108.1125.9175.8-52.9-60.8000109.8T20 R40 E41T20-I36 PolarHBondContact N-O 2.9Å; T20-I36 PolarHBondContact O-N 3.36Å; T20-I36 WeakPolarHBondContact OG1-CB 3.35Å; T20-I36 PolarHBondContact OG1-O 2.91Å; I36-R40 CarbonylContact C-O 3.55Å; I36-R40 VanDerWaalsContact CA-O 3.29Å; I36-R40 WeakPolarHBondContact CA-O 3.39Å; I36-E41 HydrophobicContact CD1-CB 4.3Å; I36-E41 HydrophobicContact CD1-CG 3.54Å
37L98.4Very high97Very high3 Ų343.4 Ų43.42%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-124.4124172-175.363.8000108.6I4 L15 K18 L19 D39 R40 V42 E222 V225I4-L37 HydrophobicContact CD1-CD2 4.41Å; L15-L37 HydrophobicContact CD2-CD2 4.12Å; K18-L37 HydrophobicContact CB-CD1 3.66Å; L19-L37 HydrophobicContact CD2-CB 3.84Å; L37-D39 VanDerWaalsContact C-N 3.28Å; L37-D39 PolarHBondContact O-N 2.99Å; L37-R40 PolarHBondContact N-O 3.33Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.49Å; L37-V42 HydrophobicContact CB-CG1 3.94Å; L37-V42 HydrophobicContact CB-CG2 3.81Å; L37-E222 HydrophobicContact CD1-CG 4.4Å; L37-V225 HydrophobicContact CB-CG1 4.26Å; L37-V225 HydrophobicContact CD2-CB 4.41Å; L37-V225 HydrophobicContact CD2-CG1 4.28Å; L37-V225 HydrophobicContact CD2-CG2 4.23Å; L37-V225 HydrophobicContact CG-CG1 4.23Å; L37-V225 WeakPolarHBondContact O-CG1 3.32Å
38K96.4Very high97.2Very high101 Ų10141.6 Ų41.644%0.43922%0.217SC..THydrogen-bonded Turntrans4848.6-177.6-58.3-65.4-174.5-162.80113R40 E222 V225K38-R40 PolarHBondContact O-N 3.23Å; K38-R40 VanDerWaalsContact O-N 3.12Å; K38-E222 HydrophobicContact CD-CG 4.49Å; K38-E222 VanDerWaalsContact CE-CG 3.42Å; K38-E222 WeakPolarHBondContact CE-OE1 3.48Å; K38-E222 HydrophobicContact CG-CG 4.17Å; K38-E222 IonicContact NZ-OE1 2.77Å; K38-E222 PolarHBondContact NZ-OE1 2.77Å; K38-V225 HydrophobicContact CB-CG1 4.35Å
39D96.4Very high97.3Very high155 Ų15541.3 Ų41.383%0.82920%0.202SC*.THydrogen-bonded Turntrans61.715.7-179.2-51-50.6000115.2L37L37-D39 VanDerWaalsContact C-N 3.28Å; L37-D39 PolarHBondContact O-N 2.99Å
40R98.2Very high97.6Very high113 Ų11337.5 Ų37.543%0.42619%0.186SC..EExtended strand (participates in β ladder)trans-114.4139.9175-58.5-53.9-167.91754111.8I2 I36 L37 K38 V42 V225 L228I2-R40 HydrophobicContact CD1-CB 4.04Å; I2-R40 HydrophobicContact CD1-CG 4.29Å; I36-R40 CarbonylContact C-O 3.55Å; I36-R40 VanDerWaalsContact CA-O 3.29Å; I36-R40 WeakPolarHBondContact CA-O 3.39Å; L37-R40 PolarHBondContact N-O 3.33Å; L37-R40 WeakPolarHBondContact O-CB 3.32Å; L37-R40 PolarHBondContact O-N 3.49Å; K38-R40 PolarHBondContact O-N 3.23Å; K38-R40 VanDerWaalsContact O-N 3.12Å; R40-V42 HydrophobicContact CB-CG1 4.47Å; R40-V42 PolarHBondContact O-N 3.08Å; R40-V225 HydrophobicContact CB-CG1 3.91Å; R40-V225 HydrophobicContact CG-CG1 4.12Å; R40-V225 WeakPolarHBondContact CG-O 3.43Å; R40-L228 PolarHBondContact NE-O 3.08Å; R40-L228 PolarHBondContact NH2-O 3.4Å; R40-L228 PolarHBondContact NH2-OXT 2.82Å
41E98.4Very high97.8Very high116 Ų11639.2 Ų39.254%0.54219%0.193SC..EExtended strand (participates in β ladder)trans-68.4122.4168.1-72.5-178.7-177.800110.6M1 I2 I36M1-E41 CarbonylContact C-O 3.56Å; M1-E41 VanDerWaalsContact CA-O 3.31Å; M1-E41 WeakPolarHBondContact CA-O 3.31Å; M1-E41 HydrophobicContact CB-CB 4.43Å; M1-E41 HydrophobicContact CE-CB 4.17Å; M1-E41 HydrophobicContact CG-CB 4.36Å; I2-E41 PolarHBondContact N-O 2.62Å; I36-E41 HydrophobicContact CD1-CB 4.3Å; I36-E41 HydrophobicContact CD1-CG 3.54Å
42V98.8Very high98Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-129.2152179.2-51.60000111.5I2 L19 T34 G35 L37 R40 I44 V225I2-V42 HydrophobicContact CB-CG1 4.14Å; I2-V42 HydrophobicContact CD1-CG1 4.48Å; I2-V42 CarbonylContact O-C 3.56Å; I2-V42 VanDerWaalsContact O-CA 3.26Å; I2-V42 WeakPolarHBondContact O-CA 3.45Å; L19-V42 HydrophobicContact CD2-CG2 3.27Å; T34-V42 WeakPolarHBondContact CA-O 3.1Å; G35-V42 PolarHBondContact N-O 3.29Å; G35-V42 PolarHBondContact O-N 2.9Å; L37-V42 HydrophobicContact CB-CG1 3.94Å; L37-V42 HydrophobicContact CB-CG2 3.81Å; R40-V42 HydrophobicContact CB-CG1 4.47Å; R40-V42 PolarHBondContact O-N 3.08Å; V42-I44 HydrophobicContact CG2-CG1 4.33Å; V42-V225 HydrophobicContact CG1-CG1 4.01Å
43V98.7Very high98Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-122.1121.8163.657.60000108.7M1 I2 G3 I4 F32 Y33 T34 L61 F65M1-V43 HydrophobicContact CG-CG1 4.45Å; M1-V43 HydrophobicContact SD-CB 4.29Å; M1-V43 HydrophobicContact SD-CG1 4.11Å; I2-V43 PolarHBondContact O-N 2.94Å; G3-V43 CarbonylContact C-O 3.56Å; G3-V43 WeakPolarHBondContact CA-O 3.46Å; I4-V43 PolarHBondContact N-O 3.34Å; F32-V43 HydrophobicContact CB-CG2 4.09Å; F32-V43 HydrophobicContact CD1-CG2 3.98Å; F32-V43 HydrophobicContact CG-CG2 4.47Å; Y33-V43 CarbonylContact O-C 3.56Å; Y33-V43 WeakPolarHBondContact O-CA 3.46Å; T34-V43 HydrophobicContact CG2-CB 4.09Å; T34-V43 HydrophobicContact CG2-CG2 3.92Å; V43-L61 HydrophobicContact CG1-CD1 4.16Å; V43-L61 HydrophobicContact CG1-CD2 3.89Å; V43-L61 HydrophobicContact CG1-CG 3.98Å; V43-F65 HydrophobicContact CB-CG 4.37Å; V43-F65 HydrophobicContact CG1-CB 4.07Å; V43-F65 HydrophobicContact CG1-CD2 4.4Å; V43-F65 HydrophobicContact CG1-CG 4.24Å; V43-F65 HydrophobicContact CG2-CD1 4.47Å; V43-F65 HydrophobicContact CG2-CD2 3.88Å; V43-F65 HydrophobicContact CG2-CE2 3.93Å; V43-F65 HydrophobicContact CG2-CG 4.15Å; V43-F65 HydrophobicContact CG2-CZ 4.25Å
44I98.7Very high98.1Very high0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-105132.5177.2-52.5176000107.9I4 V12 L15 L19 F32 Y33 V42I4-I44 HydrophobicContact CB-CG1 4.2Å; I4-I44 HydrophobicContact CD1-CG1 4.26Å; I4-I44 CarbonylContact O-C 3.57Å; I4-I44 WeakPolarHBondContact O-CA 3.36Å; V12-I44 HydrophobicContact CB-CG2 3.92Å; V12-I44 HydrophobicContact CG1-CG2 4.1Å; L15-I44 HydrophobicContact CB-CD1 3.57Å; L19-I44 HydrophobicContact CD1-CD1 3.86Å; L19-I44 HydrophobicContact CD1-CG1 4.35Å; L19-I44 HydrophobicContact CD2-CD1 3.99Å; L19-I44 HydrophobicContact CG-CD1 4.03Å; F32-I44 WeakPolarHBondContact CA-O 3.39Å; Y33-I44 PolarHBondContact N-O 2.97Å; Y33-I44 PolarHBondContact O-N 2.87Å; V42-I44 HydrophobicContact CG2-CG1 4.33Å
45T98.1Very high98.1Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-126.2139.1176.2-165.90000112I4 I5 G6 V12 V30 K31 F32 L61I4-T45 PolarHBondContact O-N 2.83Å; I5-T45 HydrophobicContact CB-CG2 4Å; I5-T45 HydrophobicContact CD1-CG2 4.37Å; I5-T45 HydrophobicContact CG1-CG2 3.73Å; I5-T45 HydrophobicContact CG2-CG2 3.79Å; G6-T45 PolarHBondContact N-O 2.91Å; V12-T45 WeakPolarHBondContact CG1-O 3.31Å; V30-T45 WeakPolarHBondContact CG1-OG1 3.42Å; K31-T45 VanDerWaalsContact O-CA 3.32Å; K31-T45 WeakPolarHBondContact O-CA 3.32Å; K31-T45 PolarHBondContact O-OG1 2.8Å; F32-T45 HydrophobicContact CE1-CG2 4.4Å; F32-T45 WeakPolarHBondContact CE1-OG1 3.49Å; T45-L61 HydrophobicContact CG2-CD1 3.63Å
46Q96.2Very high98.1Very high45 Ų4546 Ų4621%0.2124%0.237CC..EExtended strand (participates in β ladder)trans-86.9110.5162.1-175.9-174.9-2.100107.8G6 A7 V12 K31G6-Q46 CarbonylContact O-C 3.45Å; G6-Q46 VanDerWaalsContact O-CA 3.3Å; G6-Q46 WeakPolarHBondContact O-CA 3.42Å; A7-Q46 WeakPolarHBondContact O-CG 3.48Å; V12-Q46 HydrophobicContact CG1-CB 4.4Å; V12-Q46 HydrophobicContact CG2-CB 4.18Å; K31-Q46 PolarHBondContact O-N 3.14Å
47S97.2Very high98.1Very high0 Ų044.4 Ų44.40%023%0.228CC..  trans-81-23.1-174.764.70000114.3G6 A7 H29 N53 S57G6-S47 PolarHBondContact O-N 2.82Å; G6-S47 PolarHBondContact O-OG 2.9Å; A7-S47 WeakPolarHBondContact CA-OG 3.49Å; H29-S47 PolarHBondContact CD2-O 2.81Å; H29-S47 PolarHBondContact NE2-O 2.83Å; S47-N53 CarbonylContact O-C 3.56Å; S47-N53 WeakPolarHBondContact O-CB 3.44Å; S47-S57 WeakPolarHBondContact CA-OG 3.32Å; S47-S57 WeakPolarHBondContact CB-OG 3.37Å; S47-S57 PolarHBondContact O-OG 3.18Å
48G96.9Very high98.1Very high16 Ų1644.2 Ų44.217%0.16523%0.227CC..  trans79.4157.3-159.200000111.5A7A7-G48 CarbonylContact O-C 3.52Å; A7-G48 VanDerWaalsContact O-CA 3.24Å; A7-G48 WeakPolarHBondContact O-CA 3.3Å; A7-G48 PolarHBondContact O-N 2.79Å
49I97.9Very high98.2Very high81 Ų8142 Ų4242%0.41522%0.222SC..SBendtrans-75.6142.7-178.2-61.3170.1000110.1A7 M8 N53 M172 E173A7-I49 HydrophobicContact CB-CG1 4.31Å; M8-I49 HydrophobicContact CG-CD1 3.86Å; M8-I49 HydrophobicContact CG-CG1 3.83Å; M8-I49 HydrophobicContact SD-CD1 3.91Å; M8-I49 HydrophobicContact SD-CG1 4.39Å; I49-N53 PolarHBondContact O-ND2 2.95Å; I49-M172 HydrophobicContact CG2-CB 4.33Å; I49-M172 HydrophobicContact CG2-CE 3.78Å; I49-M172 HydrophobicContact CG2-SD 3.89Å; I49-E173 WeakPolarHBondContact CA-OE1 3.37Å
50G98.5Very high98.4Very high6 Ų636.8 Ų36.86%0.06219%0.194CC..SBendtrans94.1160.1173.700000114.9V52 N53 A54 D148 M172 E173G50-V52 PolarHBondContact O-N 3.13Å; G50-N53 PolarHBondContact O-N 3.24Å; G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 3.43Å; G50-D148 WeakPolarHBondContact CA-OD1 3.46Å; G50-M172 CarbonylContact C-O 3.48Å; G50-M172 VanDerWaalsContact CA-O 3.23Å; G50-M172 WeakPolarHBondContact CA-O 3.49Å; G50-E173 PolarHBondContact N-OE1 3.38Å
51K98.8Very high98.4Very high36 Ų3631.4 Ų31.416%0.15717%0.174CC..Hα-helixtrans-61.9-44.2-165.9-69.1-177.3-70.5-173.60113.6A54 A55 Y96 D98 D148 M172 A176K51-A54 PolarHBondContact O-N 3.05Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.23Å; K51-Y96 HydrophobicContact CD-CD1 3.52Å; K51-Y96 HydrophobicContact CD-CE1 3.28Å; K51-Y96 HydrophobicContact CG-CE1 4.03Å; K51-D98 IonicContact NZ-OD1 3.02Å; K51-D98 PolarHBondContact NZ-OD1 2.93Å; K51-D98 IonicContact NZ-OD2 3.46Å; K51-D98 PolarHBondContact NZ-OD2 3.33Å; K51-D148 WeakPolarHBondContact CB-OD1 3.49Å; K51-D148 WeakPolarHBondContact CE-OD2 3.41Å; K51-D148 WeakPolarHBondContact CG-OD1 3.25Å; K51-D148 PolarHBondContact N-OD1 3Å; K51-D148 IonicContact NZ-OD2 2.59Å; K51-M172 PolarHBondContact N-O 2.9Å; K51-A176 HydrophobicContact CB-CB 3.89Å; K51-A176 HydrophobicContact CG-CB 4.2Å; K51-A176 VanDerWaalsContact O-CB 3.27Å; K51-A176 WeakPolarHBondContact O-CB 3Å
52V98.6Very high98.4Very high98 Ų9826.5 Ų26.559%0.59415%0.151SC*.Hα-helixtrans-68-43.5-176.8176.70000111G50 A55 I56G50-V52 PolarHBondContact O-N 3.13Å; V52-A55 PolarHBondContact O-N 3.23Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.3Å; V52-I56 PolarHBondContact O-N 2.92Å
53N98.7Very high98.4Very high63 Ų6332.1 Ų32.134%0.33718%0.181SC..Hα-helixtrans-61.4-45.9176.8-75.8-25.3000111.1S47 I49 G50 S57S47-N53 CarbonylContact O-C 3.56Å; S47-N53 WeakPolarHBondContact O-CB 3.44Å; I49-N53 PolarHBondContact O-ND2 2.95Å; G50-N53 PolarHBondContact O-N 3.24Å; N53-S57 WeakPolarHBondContact O-CB 3.33Å; N53-S57 PolarHBondContact O-N 2.87Å; N53-S57 PolarHBondContact O-OG 3.22Å
54A98.8Very high98.3Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-60-45.5175.100000112.8G50 K51 S57 T58 E173 A176 I177G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 3.43Å; K51-A54 PolarHBondContact O-N 3.05Å; A54-S57 PolarHBondContact O-N 3.39Å; A54-T58 WeakPolarHBondContact O-CB 3.41Å; A54-T58 PolarHBondContact O-N 2.9Å; A54-T58 PolarHBondContact O-OG1 2.9Å; A54-E173 HydrophobicContact CB-CB 3.78Å; A54-E173 HydrophobicContact CB-CG 4Å; A54-A176 HydrophobicContact CB-CB 4.21Å; A54-I177 HydrophobicContact CB-CG1 3.99Å
55A98.9Very high98.3Very high28 Ų2840.2 Ų40.223%0.23122%0.216CC..Hα-helixtrans-65.5-44.8179.100000112.8K51 V52 S57 T58 T59 A176K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.23Å; V52-A55 PolarHBondContact O-N 3.23Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å; A55-T58 PolarHBondContact O-N 2.98Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 2.86Å; A55-T59 PolarHBondContact O-OG1 2.86Å; A55-A176 HydrophobicContact CB-CB 4.44Å
56I98.7Very high98.3Very high71 Ų7148 Ų4836%0.36425%0.25SS..Hα-helixtrans-59.4-48.8175.9-70.2168.8000109.9V30 V52 T58 T59 L60V30-I56 HydrophobicContact CG2-CG2 4.47Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.3Å; V52-I56 PolarHBondContact O-N 2.92Å; I56-T58 PolarHBondContact O-N 3.37Å; I56-T59 PolarHBondContact O-N 2.82Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.42Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.59Å
57S98.8Very high98.4Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-62.5-44.7-178.4-54.50000112.2V30 S47 N53 A54 A55 L60 L61V30-S57 WeakPolarHBondContact CG2-OG 3.28Å; S47-S57 WeakPolarHBondContact CA-OG 3.32Å; S47-S57 WeakPolarHBondContact CB-OG 3.37Å; S47-S57 PolarHBondContact O-OG 3.18Å; N53-S57 WeakPolarHBondContact O-CB 3.33Å; N53-S57 PolarHBondContact O-N 2.87Å; N53-S57 PolarHBondContact O-OG 3.22Å; A54-S57 PolarHBondContact O-N 3.39Å; A55-S57 VanDerWaalsContact C-N 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å; S57-L60 PolarHBondContact O-N 3.31Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 PolarHBondContact O-N 2.97Å
58T98.9Very high98.5Very high0 Ų051.7 Ų51.70%027%0.272CS..Hα-helixtrans-63.7-42.9177.7-53.40000111.1I5 A54 A55 I56 L60 L61 I62 I70 I177 T180I5-T58 HydrophobicContact CD1-CG2 3.99Å; I5-T58 WeakPolarHBondContact CD1-OG1 3.41Å; A54-T58 WeakPolarHBondContact O-CB 3.41Å; A54-T58 PolarHBondContact O-N 2.9Å; A54-T58 PolarHBondContact O-OG1 2.9Å; A55-T58 PolarHBondContact O-N 2.98Å; I56-T58 PolarHBondContact O-N 3.37Å; T58-L60 PolarHBondContact O-N 2.96Å; T58-L61 PolarHBondContact O-N 3.23Å; T58-I62 HydrophobicContact CG2-CD1 3.86Å; T58-I62 HydrophobicContact CG2-CG1 4.43Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.18Å; T58-I62 PolarHBondContact O-N 3.41Å; T58-I70 HydrophobicContact CG2-CD1 3.98Å; T58-I177 HydrophobicContact CG2-CG2 4.16Å; T58-T180 HydrophobicContact CG2-CG2 3.61Å
59T98.9Very high98.6Very high54 Ų5452 Ų5233%0.33127%0.271SS..Hα-helixtrans-61.6-46.4177.5-59.80000111.3A55 I56 I62 N63 T180 F184A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 2.86Å; A55-T59 PolarHBondContact O-OG1 2.86Å; I56-T59 PolarHBondContact O-N 2.82Å; T59-I62 PolarHBondContact O-N 3.33Å; T59-N63 VanDerWaalsContact O-CB 3.31Å; T59-N63 WeakPolarHBondContact O-CB 3.29Å; T59-N63 PolarHBondContact O-N 3.16Å; T59-T180 WeakPolarHBondContact OG1-CG2 3.41Å; T59-F184 HydrophobicContact CG2-CE2 4.2Å; T59-F184 HydrophobicContact CG2-CZ 4Å
60L98.7Very high98.6Very high46 Ų4648.2 Ų48.224%0.24125%0.251CS..Hα-helixtrans-64.5-42.2177.8-71.6174.6000111.6V27 V30 F32 I56 S57 T58 K64V27-L60 HydrophobicContact CB-CD1 4.34Å; V27-L60 HydrophobicContact CG1-CD1 4.09Å; V27-L60 HydrophobicContact CG1-CD2 4.07Å; V30-L60 HydrophobicContact CB-CD1 4.43Å; V30-L60 HydrophobicContact CG2-CD1 3.97Å; F32-L60 HydrophobicContact CE2-CB 4.27Å; F32-L60 HydrophobicContact CZ-CB 3.73Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.42Å; I56-L60 WeakPolarHBondContact O-CB 3.33Å; I56-L60 WeakPolarHBondContact O-CG 3.33Å; I56-L60 PolarHBondContact O-N 2.59Å; S57-L60 PolarHBondContact O-N 3.31Å; T58-L60 PolarHBondContact O-N 2.96Å; L60-K64 WeakPolarHBondContact O-CB 3.39Å; L60-K64 PolarHBondContact O-N 3.25Å
61L98.7Very high98.7Very high0 Ų047.9 Ų47.90%025%0.248CC..Hα-helixtrans-58.7-52.7176.6-166.3156.3000110.6I5 F32 V43 T45 S57 T58 K64 F65 P67 I70I5-L61 HydrophobicContact CD1-CD1 4.2Å; I5-L61 HydrophobicContact CG1-CD1 3.97Å; F32-L61 HydrophobicContact CD1-CG 4.48Å; F32-L61 HydrophobicContact CE1-CB 3.72Å; F32-L61 HydrophobicContact CE1-CD1 4.3Å; F32-L61 HydrophobicContact CE1-CG 4.09Å; F32-L61 HydrophobicContact CZ-CB 4.44Å; V43-L61 HydrophobicContact CG1-CD1 4.16Å; V43-L61 HydrophobicContact CG1-CD2 3.89Å; V43-L61 HydrophobicContact CG1-CG 3.98Å; T45-L61 HydrophobicContact CG2-CD1 3.63Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 PolarHBondContact O-N 2.97Å; T58-L61 PolarHBondContact O-N 3.23Å; L61-K64 PolarHBondContact O-N 3.42Å; L61-F65 HydrophobicContact CG-CD2 4.48Å; L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 2.96Å; L61-P67 HydrophobicContact CD2-CB 4.15Å; L61-P67 HydrophobicContact CD2-CG 3.46Å; L61-P67 VanDerWaalsContact CD2-CG 3.46Å; L61-I70 HydrophobicContact CD2-CD1 4.43Å
62I98.8Very high98.7Very high12 Ų1246.2 Ų46.26%0.06224%0.241CC..Hα-helixtrans-61.2-49.5-177.9-67.8170.8000110.7T58 T59 K64 K66 P67 I70 T180 F184 V186T58-I62 HydrophobicContact CG2-CD1 3.86Å; T58-I62 HydrophobicContact CG2-CG1 4.43Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.18Å; T58-I62 PolarHBondContact O-N 3.41Å; T59-I62 PolarHBondContact O-N 3.33Å; I62-K64 PolarHBondContact O-N 3.42Å; I62-K66 VanDerWaalsContact O-CA 3.3Å; I62-K66 WeakPolarHBondContact O-CA 3.46Å; I62-K66 PolarHBondContact O-N 3.16Å; I62-P67 HydrophobicContact CG1-CG 4.46Å; I62-I70 HydrophobicContact CD1-CD1 3.74Å; I62-I70 HydrophobicContact CG1-CD1 3.57Å; I62-T180 HydrophobicContact CD1-CG2 4.26Å; I62-F184 HydrophobicContact CB-CD1 4.47Å; I62-F184 HydrophobicContact CD1-CB 3.87Å; I62-F184 HydrophobicContact CD1-CD2 4.23Å; I62-F184 HydrophobicContact CD1-CG 4.07Å; I62-F184 HydrophobicContact CG2-CB 3.95Å; I62-F184 HydrophobicContact CG2-CD1 3.54Å; I62-F184 HydrophobicContact CG2-CE1 4.21Å; I62-F184 HydrophobicContact CG2-CG 3.83Å; I62-V186 HydrophobicContact CD1-CB 4.41Å; I62-V186 HydrophobicContact CD1-CG2 4.05Å; I62-V186 HydrophobicContact CG1-CG2 4.27Å; I62-V186 HydrophobicContact CG2-CG2 4.13Å
63N98.2Very high98.7Very high119 Ų11941.6 Ų41.664%0.63621%0.212SC*.Hα-helixtrans-66.1-37.4-176.5-175.156.7000112.6T59T59-N63 VanDerWaalsContact O-CB 3.31Å; T59-N63 WeakPolarHBondContact O-CB 3.29Å; T59-N63 PolarHBondContact O-N 3.16Å
64K97.7Very high98.6Very high128 Ų12838.6 Ų38.656%0.55720%0.196SC*.Hα-helixtrans-81.7-43.3-175.8-174.567.6175.6-173.90112.9L60 L61 I62L60-K64 WeakPolarHBondContact O-CB 3.39Å; L60-K64 PolarHBondContact O-N 3.25Å; L61-K64 PolarHBondContact O-N 3.42Å; I62-K64 PolarHBondContact O-N 3.42Å
65F98.2Very high98.6Very high41 Ų4139 Ų3918%0.1820%0.199CC..Hα-helixtrans-113.4-15.1-167.6-59.2-76.7000114.3M1 I25 F32 T34 V43 L61M1-F65 HydrophobicContact SD-CB 3.91Å; M1-F65 HydrophobicContact SD-CD1 4.43Å; I25-F65 HydrophobicContact CG2-CZ 3.82Å; F32-F65 HydrophobicContact CB-CE2 3.86Å; F32-F65 HydrophobicContact CB-CZ 3.9Å; F32-F65 HydrophobicContact CD1-CD2 4.31Å; F32-F65 AromaticContact CD1-CE2 3.67Å; F32-F65 HydrophobicContact CD1-CE2 3.67Å; F32-F65 AromaticContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CE2 3.97Å; F32-F65 HydrophobicContact CD2-CZ 4.45Å; F32-F65 HydrophobicContact CE1-CE2 4.21Å; F32-F65 HydrophobicContact CE2-CE2 4.45Å; F32-F65 AromaticContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CE2 3.54Å; F32-F65 HydrophobicContact CG-CZ 4.05Å; T34-F65 HydrophobicContact CG2-CD1 3.99Å; T34-F65 HydrophobicContact CG2-CE1 3.48Å; T34-F65 VanDerWaalsContact CG2-CE1 3.48Å; T34-F65 HydrophobicContact CG2-CZ 4.03Å; V43-F65 HydrophobicContact CB-CG 4.37Å; V43-F65 HydrophobicContact CG1-CB 4.07Å; V43-F65 HydrophobicContact CG1-CD2 4.4Å; V43-F65 HydrophobicContact CG1-CG 4.24Å; V43-F65 HydrophobicContact CG2-CD1 4.47Å; V43-F65 HydrophobicContact CG2-CD2 3.88Å; V43-F65 HydrophobicContact CG2-CE2 3.93Å; V43-F65 HydrophobicContact CG2-CG 4.15Å; V43-F65 HydrophobicContact CG2-CZ 4.25Å; L61-F65 HydrophobicContact CG-CD2 4.48Å; L61-F65 WeakPolarHBondContact O-CB 3.34Å; L61-F65 PolarHBondContact O-N 2.96Å
66K98.3Very high98.6Very high165 Ų16537.8 Ų37.872%0.71719%0.189SC*.  trans49.157.3177.4-57.4173.1-175.6163.70112.4I62I62-K66 VanDerWaalsContact O-CA 3.3Å; I62-K66 WeakPolarHBondContact O-CA 3.46Å; I62-K66 PolarHBondContact O-N 3.16Å
67P98.7Very high98.5Very high8 Ų834.5 Ų34.55%0.05217%0.173CC..  trans-64148.417935.2-40.1000110.4M1 L61 I62 V69 I70M1-P67 CarbonylContact O-C 3.51Å; M1-P67 VanDerWaalsContact O-CA 3.3Å; M1-P67 WeakPolarHBondContact O-CA 3.46Å; L61-P67 HydrophobicContact CD2-CB 4.15Å; L61-P67 HydrophobicContact CD2-CG 3.46Å; L61-P67 VanDerWaalsContact CD2-CG 3.46Å; I62-P67 HydrophobicContact CG1-CG 4.46Å; P67-V69 VanDerWaalsContact C-N 3.32Å; P67-I70 HydrophobicContact CG-CD1 4.14Å; P67-I70 HydrophobicContact CG-CG1 3.93Å
68D98.7Very high98.5Very high114 Ų11434.6 Ų34.661%0.6117%0.174SC*.SBendtrans-74-30.1174.8-58.1-65.7000111.3M1 P187M1-D68 PolarHBondContact N-OD2 3.36Å; M1-D68 PolarHBondContact O-N 3.18Å; D68-P187 WeakPolarHBondContact O-CD 2.95Å
69V98.9Very high98.5Very high23 Ų2334.7 Ų34.714%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-147.7154.7178.2-57.10000111I2 G3 P67 L124 P187 L228I2-V69 HydrophobicContact CB-CG2 4.49Å; I2-V69 HydrophobicContact CG1-CG2 4.18Å; I2-V69 HydrophobicContact CG2-CG2 4.11Å; G3-V69 PolarHBondContact N-O 3.41Å; P67-V69 VanDerWaalsContact C-N 3.32Å; V69-L124 HydrophobicContact CB-CD1 4.07Å; V69-L124 HydrophobicContact CG1-CD1 4.19Å; V69-L124 HydrophobicContact CG1-CD2 4.31Å; V69-P187 CarbonylContact C-O 3.59Å; V69-P187 VanDerWaalsContact CA-O 3.3Å; V69-P187 WeakPolarHBondContact CA-O 3.46Å; V69-P187 HydrophobicContact CG1-CB 4.2Å; V69-L228 HydrophobicContact CG2-CD1 3.94Å
70I98.9Very high98.3Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-117.4131.6173.8-74170.5000111G3 I5 T58 L61 I62 P67 I177 C181 V186 P187 F188 V189G3-I70 CarbonylContact O-C 3.5Å; G3-I70 WeakPolarHBondContact O-CA 3.33Å; I5-I70 HydrophobicContact CD1-CG2 3.77Å; I5-I70 HydrophobicContact CG1-CG2 4.06Å; T58-I70 HydrophobicContact CG2-CD1 3.98Å; L61-I70 HydrophobicContact CD2-CD1 4.43Å; I62-I70 HydrophobicContact CD1-CD1 3.74Å; I62-I70 HydrophobicContact CG1-CD1 3.57Å; P67-I70 HydrophobicContact CG-CD1 4.14Å; P67-I70 HydrophobicContact CG-CG1 3.93Å; I70-I177 HydrophobicContact CG2-CG2 3.91Å; I70-C181 VanDerWaalsContact CD1-SG 3.53Å; I70-V186 HydrophobicContact CD1-CG1 4.01Å; I70-V186 HydrophobicContact CG1-CG1 4.05Å; I70-P187 PolarHBondContact N-O 3.05Å; I70-F188 HydrophobicContact CB-CB 4.25Å; I70-F188 HydrophobicContact CG2-CB 4.49Å; I70-F188 CarbonylContact O-C 3.5Å; I70-F188 WeakPolarHBondContact O-CA 3.35Å; I70-F188 WeakPolarHBondContact O-CB 3.35Å; I70-V189 PolarHBondContact O-N 2.97Å
71I98.9Very high98.1Very high0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-113117.4173.5-56.1157.9000107.5I2 G3 I4 I5 V189 V191 V221 L224 V225 L228I2-I71 HydrophobicContact CG2-CD1 3.56Å; I2-I71 HydrophobicContact CG2-CG1 4.33Å; G3-I71 PolarHBondContact O-N 3.47Å; I4-I71 CarbonylContact C-O 3.57Å; I4-I71 VanDerWaalsContact CA-O 3.31Å; I4-I71 WeakPolarHBondContact CA-O 3.47Å; I4-I71 HydrophobicContact CG1-CD1 4.39Å; I5-I71 PolarHBondContact N-O 2.78Å; I71-V189 WeakPolarHBondContact CA-O 2.94Å; I71-V189 HydrophobicContact CG1-CG1 4.17Å; I71-V189 HydrophobicContact CG2-CG1 4.29Å; I71-V191 HydrophobicContact CG2-CG2 4.29Å; I71-V221 HydrophobicContact CD1-CG1 4.4Å; I71-V221 HydrophobicContact CG2-CG1 4.06Å; I71-V221 HydrophobicContact CG2-CG2 3.73Å; I71-L224 HydrophobicContact CD1-CD2 3.69Å; I71-L224 HydrophobicContact CD1-CG 4.37Å; I71-L224 HydrophobicContact CG1-CD2 3.92Å; I71-L224 HydrophobicContact CG2-CD2 4.32Å; I71-V225 HydrophobicContact CD1-CG2 4.28Å; I71-L228 HydrophobicContact CD1-CD1 3.99Å
72N98.9Very high97.9Very high1 Ų143.8 Ų43.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-88.2119.5170.1172.8-140.8000109.2I5 A174 I177 V189 V190 V191 R192I5-N72 CarbonylContact O-C 3.55Å; I5-N72 WeakPolarHBondContact O-CA 3.32Å; I5-N72 PolarHBondContact O-ND2 3.4Å; N72-A174 WeakPolarHBondContact OD1-CB 3.47Å; N72-I177 HydrophobicContact CB-CD1 3.89Å; N72-I177 VanDerWaalsContact CG-CD1 3.47Å; N72-I177 VanDerWaalsContact ND2-CD1 3.34Å; N72-I177 WeakPolarHBondContact ND2-CD1 3.41Å; N72-V189 PolarHBondContact N-O 2.93Å; N72-V190 HydrophobicContact CB-CG1 4.38Å; N72-V190 HydrophobicContact CB-CG2 4.23Å; N72-V190 WeakPolarHBondContact OD1-CG1 3.38Å; N72-V191 CarbonylContact O-C 3.52Å; N72-V191 PolarHBondContact O-N 3.21Å; N72-R192 PolarHBondContact OD1-NH1 3.38Å
73T98.7Very high97.8Very high0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-106.2158.6175.7-164.30000110.8I4 I5 V191I4-T73 HydrophobicContact CG2-CG2 3.98Å; I5-T73 PolarHBondContact O-N 3.5Å; T73-V191 VanDerWaalsContact CA-O 3.29Å; T73-V191 WeakPolarHBondContact CA-O 3.48Å
74G97.9Very high97.6Very high0 Ų043 Ų430%022%0.217CC..EExtended strand (participates in β ladder)trans148.5-163.1170.500000114.3E11 R192 A193 S217E11-G74 WeakPolarHBondContact OE1-CA 3.38Å; G74-R192 CarbonylContact O-C 3.57Å; G74-R192 WeakPolarHBondContact O-CA 3.18Å; G74-R192 VanDerWaalsContact O-CB 3.27Å; G74-R192 WeakPolarHBondContact O-CB 3.4Å; G74-A193 PolarHBondContact O-N 3.48Å; G74-S217 PolarHBondContact O-OG 3.3Å
75S98Very high97.4Very high8 Ų838.2 Ų38.26%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-103.1160.5175.873.50000113E11 R192 A193 S195E11-S75 PolarHBondContact OE1-N 2.97Å; S75-R192 VanDerWaalsContact O-CZ 3.28Å; S75-R192 PolarHBondContact O-NE 2.75Å; S75-R192 PolarHBondContact O-NH2 2.78Å; S75-A193 CarbonylContact C-O 3.6Å; S75-A193 WeakPolarHBondContact CA-O 3.47Å; S75-S195 WeakPolarHBondContact CB-OG 3.49Å; S75-S195 PolarHBondContact OG-OG 2.97Å
76A98.5Very high97.2Very high3 Ų336.9 Ų36.93%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-149.4155.417400000111.7L89 A169 E171 R192 A193 V194 S195A76-L89 HydrophobicContact CB-CD1 3.88Å; A76-A169 HydrophobicContact CB-CB 4.1Å; A76-E171 HydrophobicContact CB-CB 4.08Å; A76-E171 HydrophobicContact CB-CG 4.23Å; A76-R192 HydrophobicContact CB-CB 4.26Å; A76-A193 PolarHBondContact N-O 3.05Å; A76-V194 WeakPolarHBondContact O-CA 3.38Å; A76-S195 PolarHBondContact O-N 3.43Å; A76-S195 PolarHBondContact O-OG 3.18Å
77G98.1Very high97.1Very high3 Ų329.9 Ų29.93%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-82.8129.3172.700000111.2L79 A169 V170 D196G77-L79 PolarHBondContact O-N 3.29Å; G77-A169 CarbonylContact O-C 3.59Å; G77-A169 WeakPolarHBondContact O-CA 3.36Å; G77-A169 WeakPolarHBondContact O-CB 3.36Å; G77-V170 PolarHBondContact N-O 3.01Å; G77-V170 PolarHBondContact O-N 3.36Å; G77-D196 CarbonylContact C-O 3.54Å; G77-D196 WeakPolarHBondContact CA-O 3.48Å; G77-D196 VanDerWaalsContact CA-OD1 3.26Å; G77-D196 WeakPolarHBondContact CA-OD1 3.24Å; G77-D196 WeakPolarHBondContact CA-OD2 3.33Å
78A98Very high97.1Very high1 Ų129.5 Ų29.51%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-74.8122.6-179.500000111.6L83 R157 V194 D196 L197A78-L83 HydrophobicContact CB-CB 3.83Å; A78-L83 HydrophobicContact CB-CD1 4.08Å; A78-R157 PolarHBondContact O-NH1 2.94Å; A78-V194 HydrophobicContact CB-CG1 3.7Å; A78-V194 HydrophobicContact CB-CG2 4.13Å; A78-D196 PolarHBondContact N-O 3.15Å; A78-L197 HydrophobicContact CB-CD2 4.19Å; A78-L197 CarbonylContact O-C 3.57Å
79L98.1Very high97.1Very high2 Ų224 Ų241%0.0114%0.135CC..  trans-98.3-17.4171.4-69.7-179.4000113G77 V145 R157 I160 K161 A167 M168 V170 A198G77-L79 PolarHBondContact O-N 3.29Å; L79-V145 HydrophobicContact CD1-CG2 4.04Å; L79-R157 VanDerWaalsContact C-NH2 3.32Å; L79-R157 HydrophobicContact CD2-CG 3.82Å; L79-R157 PolarHBondContact O-NH2 3.06Å; L79-I160 HydrophobicContact CD1-CG2 3.62Å; L79-K161 HydrophobicContact CB-CD 3.92Å; L79-K161 PolarHBondContact O-NZ 2.91Å; L79-A167 WeakPolarHBondContact CB-O 3.34Å; L79-A167 HydrophobicContact CD1-CB 3.85Å; L79-M168 PolarHBondContact N-O 2.84Å; L79-V170 HydrophobicContact CD1-CB 3.94Å; L79-V170 HydrophobicContact CD1-CG1 4.28Å; L79-V170 HydrophobicContact CD2-CG1 4.08Å; L79-V170 HydrophobicContact CG-CB 4.19Å; L79-V170 HydrophobicContact CG-CG1 4.01Å; L79-A198 HydrophobicContact CD2-CB 4.08Å
80D96.1Very high97.1Very high42 Ų4223 Ų2323%0.22513%0.129CC..SBendtrans-87.9131.8170.1-159.2-48.2000110.5S82 L83 K140 M168D80-S82 PolarHBondContact O-N 3.47Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.05Å; D80-S82 PolarHBondContact OD1-OG 3.12Å; D80-L83 HydrophobicContact CB-CD1 3.75Å; D80-L83 HydrophobicContact CB-CG 4Å; D80-L83 PolarHBondContact O-N 3.37Å; D80-K140 VanDerWaalsContact CG-NZ 3.3Å; D80-K140 IonicContact OD1-NZ 2.91Å; D80-K140 IonicContact OD2-NZ 3.43Å; D80-K140 PolarHBondContact OD2-NZ 2.91Å; D80-M168 HydrophobicContact CB-CB 4.11Å; D80-M168 PolarHBondContact N-O 3.34Å
81E93.5Very high97.1Very high177 Ų17723 Ų2383%0.82713%0.129SC*.THydrogen-bonded Turntrans-72.9-13.9179.9-64179.6-179.100112.7L83E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.77Å
82S95.3Very high97.1Very high73 Ų7326 Ų2651%0.5115%0.145SC..THydrogen-bonded Turntrans-79.8-7.3175.887.70000114D80 K140D80-S82 PolarHBondContact O-N 3.47Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.05Å; D80-S82 PolarHBondContact OD1-OG 3.12Å; S82-K140 PolarHBondContact OG-NZ 2.85Å
83L96.4Very high97.1Very high9 Ų927.8 Ų27.85%0.04716%0.155CC..  trans-95.4143.1-173.8-71.9171.1000111.7A78 D80 E81 D87 L89 K140 M168 V194A78-L83 HydrophobicContact CB-CB 3.83Å; A78-L83 HydrophobicContact CB-CD1 4.08Å; D80-L83 HydrophobicContact CB-CD1 3.75Å; D80-L83 HydrophobicContact CB-CG 4Å; D80-L83 PolarHBondContact O-N 3.37Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 2.77Å; L83-D87 HydrophobicContact CD2-CB 4.14Å; L83-L89 HydrophobicContact CD1-CD2 3.65Å; L83-L89 HydrophobicContact CD2-CD2 3.81Å; L83-L89 HydrophobicContact CG-CD2 4.39Å; L83-K140 HydrophobicContact CD2-CB 4.01Å; L83-K140 HydrophobicContact CD2-CD 4.1Å; L83-K140 HydrophobicContact CG-CD 4.47Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 WeakPolarHBondContact CD1-O 3.46Å; L83-V194 HydrophobicContact CB-CG2 4.2Å; L83-V194 HydrophobicContact CD1-CG2 4.4Å
84N94.4Very high97.1Very high104 Ų10427.8 Ų27.856%0.55616%0.155SC*.  trans-120.4157.3177.6-58.5-83000111.1G86 D87 V194N84-G86 PolarHBondContact O-N 2.93Å; N84-D87 PolarHBondContact N-OD2 3.49Å; N84-D87 VanDerWaalsContact O-CB 3.26Å; N84-D87 WeakPolarHBondContact O-CB 3.46Å; N84-D87 VanDerWaalsContact O-CG 3.24Å; N84-D87 PolarHBondContact O-N 3.46Å; N84-V194 WeakPolarHBondContact O-CB 3.45Å
85V93.1Very high97.2Very high29 Ų2929.8 Ų29.818%0.17616%0.163CC..THydrogen-bonded Turntrans-55.7122.6176.1173.70000111.6V194 F209 K212V85-V194 WeakPolarHBondContact CA-O 3.33Å; V85-V194 HydrophobicContact CG2-CG1 4.44Å; V85-F209 HydrophobicContact CG1-CB 3.49Å; V85-F209 VanDerWaalsContact CG1-CB 3.49Å; V85-F209 HydrophobicContact CG1-CD1 3.83Å; V85-F209 HydrophobicContact CG1-CD2 3.9Å; V85-F209 HydrophobicContact CG1-CG 3.48Å; V85-F209 VanDerWaalsContact CG1-CG 3.48Å; V85-F209 HydrophobicContact CG2-CD2 3.97Å; V85-F209 HydrophobicContact CG2-CE2 4.34Å; V85-F209 HydrophobicContact CG2-CG 4.42Å; V85-K212 HydrophobicContact CG1-CD 4.19Å; V85-K212 PolarHBondContact O-NZ 3.48Å
86G93.5Very high97.2Very high13 Ų1330 Ų3013%0.13416%0.163CC..THydrogen-bonded Turntrans98.4-12.2-177.600000114.7N84 V194 S216N84-G86 PolarHBondContact O-N 2.93Å; G86-V194 PolarHBondContact N-O 3.04Å; G86-S216 PolarHBondContact O-OG 3.39Å
87D97.7Very high97.2Very high17 Ų1730.6 Ų30.69%0.09117%0.165CC..  trans-60.6138.4173.8-70.2-8.4000109.9L83 N84 T138 A193 V194L83-D87 HydrophobicContact CD2-CB 4.14Å; N84-D87 PolarHBondContact N-OD2 3.49Å; N84-D87 VanDerWaalsContact O-CB 3.26Å; N84-D87 WeakPolarHBondContact O-CB 3.46Å; N84-D87 VanDerWaalsContact O-CG 3.24Å; N84-D87 PolarHBondContact O-N 3.46Å; D87-T138 HydrophobicContact CB-CG2 4.35Å; D87-T138 WeakPolarHBondContact OD1-CB 3.41Å; D87-T138 WeakPolarHBondContact OD1-CG2 3.38Å; D87-A193 CarbonylContact O-C 3.55Å; D87-A193 VanDerWaalsContact O-CA 3.25Å; D87-A193 WeakPolarHBondContact O-CA 3.26Å; D87-V194 HydrophobicContact CB-CG2 4.27Å; D87-V194 PolarHBondContact O-N 2.98Å
88V98.5Very high97.2Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-83.4138.7-178.9178.50000110.3I90 V132 L137 T138 A139 K140 V191 R192 S216 T220V88-I90 HydrophobicContact CG1-CG1 4.38Å; V88-V132 HydrophobicContact CB-CG1 4.31Å; V88-V132 HydrophobicContact CG1-CG1 3.94Å; V88-L137 HydrophobicContact CG2-CB 4.47Å; V88-L137 HydrophobicContact CG2-CD1 4.03Å; V88-T138 PolarHBondContact N-O 3.39Å; V88-A139 HydrophobicContact CB-CB 3.93Å; V88-A139 HydrophobicContact CG1-CB 4.42Å; V88-A139 CarbonylContact O-C 3.21Å; V88-A139 WeakPolarHBondContact O-CA 3.3Å; V88-K140 PolarHBondContact O-N 2.82Å; V88-V191 HydrophobicContact CG1-CG1 4.11Å; V88-R192 CarbonylContact C-O 3.49Å; V88-S216 WeakPolarHBondContact CG2-OG 3.45Å; V88-T220 HydrophobicContact CG1-CG2 4.22Å
89L98.8Very high97.2Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-118.4126.1-177.5-58.1174.4000108.7A76 L83 I144 M168 A169 V191 R192 V194A76-L89 HydrophobicContact CB-CD1 3.88Å; L83-L89 HydrophobicContact CD1-CD2 3.65Å; L83-L89 HydrophobicContact CD2-CD2 3.81Å; L83-L89 HydrophobicContact CG-CD2 4.39Å; L89-I144 HydrophobicContact CB-CD1 4.13Å; L89-M168 HydrophobicContact CB-CE 4.02Å; L89-M168 HydrophobicContact CD2-CE 4.13Å; L89-M168 HydrophobicContact CD2-SD 4.25Å; L89-A169 HydrophobicContact CD1-CB 3.53Å; L89-V191 CarbonylContact O-C 3.6Å; L89-V191 VanDerWaalsContact O-CA 3.3Å; L89-V191 WeakPolarHBondContact O-CA 3.36Å; L89-R192 HydrophobicContact CB-CB 4.49Å; L89-R192 PolarHBondContact N-O 2.91Å; L89-R192 PolarHBondContact O-N 3.02Å; L89-V194 HydrophobicContact CD1-CG2 3.92Å; L89-V194 HydrophobicContact CD2-CG2 4.08Å; L89-V194 HydrophobicContact CG-CG2 4.11Å
90I98.8Very high97.3Very high1 Ų138.3 Ų38.31%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-119.8119.1178.2-48.3168.8000107V88 I125 V128 V132 K140 V141 G142 M168 V189 V190V88-I90 HydrophobicContact CG1-CG1 4.38Å; I90-I125 HydrophobicContact CG2-CG1 4.46Å; I90-I125 HydrophobicContact CG2-CG2 4.21Å; I90-V128 HydrophobicContact CD1-CB 4.07Å; I90-V128 HydrophobicContact CD1-CG1 3.48Å; I90-V128 VanDerWaalsContact CD1-CG1 3.48Å; I90-V128 HydrophobicContact CG1-CB 4.47Å; I90-V128 HydrophobicContact CG1-CG1 3.65Å; I90-V128 HydrophobicContact CG2-CB 4.31Å; I90-V128 HydrophobicContact CG2-CG1 4.27Å; I90-V132 HydrophobicContact CD1-CG1 4.48Å; I90-V132 HydrophobicContact CD1-CG2 4.32Å; I90-K140 PolarHBondContact N-O 3.46Å; I90-V141 HydrophobicContact CB-CG2 4.07Å; I90-V141 HydrophobicContact CD1-CG2 4.07Å; I90-V141 CarbonylContact O-C 3.58Å; I90-V141 VanDerWaalsContact O-CA 3.22Å; I90-V141 WeakPolarHBondContact O-CA 3.36Å; I90-G142 PolarHBondContact O-N 3.19Å; I90-M168 WeakPolarHBondContact O-CE 3.34Å; I90-V189 HydrophobicContact CG2-CG2 4.07Å; I90-V190 WeakPolarHBondContact CA-O 3.37Å
91S98.7Very high97.4Very high0 Ų036.7 Ų36.70%020%0.199CC..EExtended strand (participates in β ladder)trans-74.8134.7177.370.50000111.6S120 G142 V190S91-S120 WeakPolarHBondContact O-CB 3.34Å; S91-S120 PolarHBondContact O-OG 2.79Å; S91-S120 VanDerWaalsContact O-OG 3.1Å; S91-S120 PolarHBondContact OG-OG 2.76Å; S91-G142 WeakPolarHBondContact CA-O 3.39Å; S91-V190 PolarHBondContact N-O 3.02Å; S91-V190 VanDerWaalsContact OG-CB 3.25Å; S91-V190 WeakPolarHBondContact OG-CB 3.33Å; S91-V190 WeakPolarHBondContact OG-CG2 3.36Å
92D98.6Very high97.6Very high62 Ų6231.5 Ų31.533%0.33218%0.18SC..EExtended strand (participates in β ladder)trans-86.7-45157.654.71.4000110.5Q119 S120 I125 V141 G142 L143D92-Q119 WeakPolarHBondContact O-CA 3.39Å; D92-S120 PolarHBondContact O-N 2.7Å; D92-I125 HydrophobicContact CB-CD1 4.37Å; D92-V141 HydrophobicContact CB-CG1 3.94Å; D92-G142 PolarHBondContact N-O 3.45Å; D92-G142 VanDerWaalsContact OD1-CA 3.24Å; D92-G142 WeakPolarHBondContact OD1-CA 3.09Å; D92-G142 VanDerWaalsContact OD1-O 3.12Å; D92-L143 PolarHBondContact OD1-N 3.17Å
93D98.6Very high97.7Very high40 Ų4032.3 Ų32.321%0.21419%0.191CC..EExtended strand (participates in β ladder)trans-130.3150.6174.4-68.1-41.4000110.2A117 F118 Q119 L143 I144D93-A117 HydrophobicContact CB-CB 4.11Å; D93-F118 WeakPolarHBondContact CA-O 3.2Å; D93-Q119 VanDerWaalsContact OD1-CG 3.24Å; D93-Q119 WeakPolarHBondContact OD1-CG 3.48Å; D93-Q119 PolarHBondContact OD1-NE2 3.1Å; D93-L143 HydrophobicContact CB-CD1 4.17Å; D93-I144 PolarHBondContact O-N 3.33Å
94V98.9Very high97.8Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-125.1145.1165-58.80000112.4F118 I144 A174 T175 A178 F188 V190V94-F118 HydrophobicContact CG2-CB 3.93Å; V94-F118 PolarHBondContact N-O 2.84Å; V94-F118 PolarHBondContact O-N 3.05Å; V94-I144 VanDerWaalsContact CA-O 3.22Å; V94-I144 WeakPolarHBondContact CA-O 3.35Å; V94-I144 HydrophobicContact CG1-CB 4.16Å; V94-A174 HydrophobicContact CG1-CB 4.44Å; V94-T175 HydrophobicContact CG2-CG2 4.26Å; V94-A178 HydrophobicContact CG2-CB 3.31Å; V94-F188 HydrophobicContact CG2-CE2 4.44Å; V94-F188 HydrophobicContact CG2-CZ 4.46Å; V94-V190 HydrophobicContact CG1-CG2 4.02Å
95K98.8Very high98Very high41 Ų4138.3 Ų38.318%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-140.7153.3-178-66.2-172.4174.5-170.20111.9V116 A117 L143 I144 V145 S146 F164 T175K95-V116 WeakPolarHBondContact CE-O 3.46Å; K95-V116 WeakPolarHBondContact CG-O 3.35Å; K95-A117 HydrophobicContact CD-CB 4.24Å; K95-A117 HydrophobicContact CG-CB 3.83Å; K95-L143 HydrophobicContact CB-CD1 4.2Å; K95-L143 HydrophobicContact CD-CD1 4.17Å; K95-L143 HydrophobicContact CG-CD1 3.86Å; K95-I144 PolarHBondContact N-O 2.82Å; K95-V145 HydrophobicContact CB-CG1 4.31Å; K95-V145 CarbonylContact O-C 3.49Å; K95-V145 WeakPolarHBondContact O-CA 3.29Å; K95-V145 WeakPolarHBondContact O-CB 3.08Å; K95-S146 PolarHBondContact O-N 2.98Å; K95-F164 HydrophobicContact CB-CE1 4.43Å; K95-F164 HydrophobicContact CD-CD1 4.26Å; K95-F164 HydrophobicContact CD-CE1 4.05Å; K95-T175 VanDerWaalsContact C-OG1 3.29Å; K95-T175 PolarHBondContact N-OG1 3.32Å; K95-T175 PolarHBondContact O-OG1 3.09Å; K95-T175 VanDerWaalsContact O-OG1 3.07Å
96Y98.9Very high98.3Very high14 Ų1440.4 Ų40.46%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-77.2132.1168.6-64.5-67.1000110.1K51 A99 G109 I111 F118 S146 F164 T175 A176 Q179K51-Y96 HydrophobicContact CD-CD1 3.52Å; K51-Y96 HydrophobicContact CD-CE1 3.28Å; K51-Y96 HydrophobicContact CG-CE1 4.03Å; Y96-A99 HydrophobicContact CG-CB 4.39Å; Y96-G109 WeakPolarHBondContact O-CA 3.37Å; Y96-I111 HydrophobicContact CD2-CD1 4.18Å; Y96-I111 HydrophobicContact CD2-CG1 3.6Å; Y96-I111 HydrophobicContact CE2-CD1 4.33Å; Y96-I111 HydrophobicContact CE2-CG1 3.57Å; Y96-F118 HydrophobicContact CE2-CE2 4.18Å; Y96-S146 CarbonylContact C-O 3.4Å; Y96-S146 VanDerWaalsContact CA-O 3.28Å; Y96-S146 WeakPolarHBondContact CA-O 3.45Å; Y96-F164 WeakPolarHBondContact O-CZ 3.49Å; Y96-T175 HydrophobicContact CD1-CG2 3.73Å; Y96-T175 HydrophobicContact CD2-CG2 3.61Å; Y96-T175 HydrophobicContact CE1-CG2 3.56Å; Y96-T175 HydrophobicContact CE2-CG2 3.47Å; Y96-T175 VanDerWaalsContact CE2-CG2 3.47Å; Y96-T175 HydrophobicContact CG-CG2 3.76Å; Y96-T175 VanDerWaalsContact CZ-CG2 3.46Å; Y96-T175 PolarHBondContact OH-O 2.85Å; Y96-A176 VanDerWaalsContact OH-CA 3.24Å; Y96-A176 WeakPolarHBondContact OH-CA 3.47Å; Y96-A176 PolarHBondContact OH-N 3.44Å; Y96-Q179 VanDerWaalsContact CE2-OE1 3.29Å; Y96-Q179 PolarHBondContact OH-OE1 3.34Å
97H98.6Very high98.5Very high14 Ų1445 Ų457%0.06526%0.256CS..SBendtrans-91.2-3.7172.971.773.1000113.6Y108 V145 S146 G147 I160 F164H97-Y108 WeakPolarHBondContact O-CE1 3.32Å; H97-Y108 PolarHBondContact O-OH 2.9Å; H97-V145 HydrophobicContact CB-CB 3.96Å; H97-V145 HydrophobicContact CB-CG2 3.93Å; H97-S146 PolarHBondContact CD2-O 2.9Å; H97-S146 VanDerWaalsContact CD2-O 3.28Å; H97-S146 PolarHBondContact N-O 2.72Å; H97-G147 PolarHBondContact CD2-N 2.73Å; H97-G147 WeakPolarHBondContact NE2-CA 3.46Å; H97-G147 PolarHBondContact NE2-N 3.39Å; H97-I160 HydrophobicContact CB-CD1 4.48Å; H97-I160 HydrophobicContact CB-CG1 4.22Å; H97-I160 HydrophobicContact CB-CG2 4.22Å; H97-F164 VanDerWaalsContact CA-CE2 3.49Å; H97-F164 HydrophobicContact CB-CD2 4.12Å; H97-F164 HydrophobicContact CB-CE2 3.72Å
98D98.3Very high98.5Very high57 Ų5747.6 Ų47.631%0.30527%0.265SS..SBendtrans-122.70.1-173.668.2-9.9000114K51 G147 D148K51-D98 IonicContact NZ-OD1 3.02Å; K51-D98 PolarHBondContact NZ-OD1 2.93Å; K51-D98 IonicContact NZ-OD2 3.46Å; K51-D98 PolarHBondContact NZ-OD2 3.33Å; D98-G147 VanDerWaalsContact OD2-CA 3.25Å; D98-G147 WeakPolarHBondContact OD2-CA 3.39Å; D98-D148 PolarHBondContact OD2-N 2.85Å
99A98.4Very high98.5Very high11 Ų1147.7 Ų47.79%0.09127%0.266CS..  trans-83.4128.8173.900000111Y96 G109 I111Y96-A99 HydrophobicContact CG-CB 4.39Å; A99-G109 VanDerWaalsContact O-CA 3.31Å; A99-G109 WeakPolarHBondContact O-CA 3.31Å; A99-G109 PolarHBondContact O-N 2.95Å; A99-I111 HydrophobicContact CB-CD1 3.66Å; A99-I111 HydrophobicContact CB-CG1 4.38Å
100D98.4Very high98.5Very high100 Ų10049 Ų4954%0.53527%0.272SS..  trans-136.7101.7178.4-167.7-12.4000111.3T102 Y108D100-T102 VanDerWaalsContact OD1-CB 3.31Å; D100-T102 WeakPolarHBondContact OD1-CB 3.46Å; D100-T102 VanDerWaalsContact OD1-CG2 3.25Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 3.29Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; D100-Y108 HydrophobicContact CB-CD2 4.02Å; D100-Y108 HydrophobicContact CB-CE2 3.78Å
101A98.4Very high98.5Very high8 Ų851.5 Ų51.57%0.06629%0.285CS..  trans-116.824.9170.800000111.6A103 F104 Y106 P112A101-A103 PolarHBondContact O-N 3.43Å; A101-F104 PolarHBondContact O-N 2.85Å; A101-Y106 HydrophobicContact CB-CD2 3.86Å; A101-Y106 HydrophobicContact CB-CG 4.23Å; A101-P112 HydrophobicContact CB-CG 3.64Å
102T98.3Very high98.5Very high69 Ų6954 Ų5442%0.42330%0.301SS..G310 helixtrans-62.3-27.1-176.957.80000113D100 F104 G105 Y106 Y108D100-T102 VanDerWaalsContact OD1-CB 3.31Å; D100-T102 WeakPolarHBondContact OD1-CB 3.46Å; D100-T102 VanDerWaalsContact OD1-CG2 3.25Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 3.29Å; D100-T102 PolarHBondContact OD1-OG1 3.07Å; T102-F104 PolarHBondContact O-N 3.35Å; T102-G105 PolarHBondContact O-N 2.84Å; T102-Y106 WeakPolarHBondContact CA-O 3.22Å; T102-Y108 HydrophobicContact CG2-CD2 4.44Å
103A98.3Very high98.4Very high89 Ų8959 Ų5974%0.73632%0.323SS*.G310 helixtrans-56.3-21.3171.800000113.7A101A101-A103 PolarHBondContact O-N 3.43Å
104F98.2Very high98.4Very high165 Ų16558.6 Ų58.672%0.72432%0.32SS*.G310 helixtrans-110.512.9178.4-52.9-71.6000113.1A101 T102 Y106A101-F104 PolarHBondContact O-N 2.85Å; T102-F104 PolarHBondContact O-N 3.35Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 4.1Å
105G98Very high98.4Very high74 Ų7460.4 Ų60.476%0.76333%0.332SS*.THydrogen-bonded Turntrans83.89.7176.900000115.7T102T102-G105 PolarHBondContact O-N 2.84Å
106Y98.5Very high98.4Very high74 Ų7460.3 Ų60.329%0.2934%0.335SS..PPolyproline II helixtrans-78.6159171.1-67.4-81.3000111.7A101 T102 F104 Q110 P112 Q113A101-Y106 HydrophobicContact CB-CD2 3.86Å; A101-Y106 HydrophobicContact CB-CG 4.23Å; T102-Y106 WeakPolarHBondContact CA-O 3.22Å; F104-Y106 HydrophobicContact CB-CD2 3.97Å; F104-Y106 HydrophobicContact CB-CE2 4.1Å; Y106-Q110 HydrophobicContact CD1-CG 4.16Å; Y106-P112 HydrophobicContact CD2-CB 4.38Å; Y106-P112 HydrophobicContact CD2-CG 4.27Å; Y106-P112 HydrophobicContact CE1-CB 4.41Å; Y106-P112 HydrophobicContact CE2-CB 3.81Å; Y106-P112 HydrophobicContact CE2-CG 4.12Å; Y106-Q113 PolarHBondContact OH-N 2.93Å
107E98.3Very high98.4Very high108 Ų10860.6 Ų60.651%0.50534%0.34SS..PPolyproline II helixtrans-69.2150.3171.4-70.4-169.7-151.900111.5G109 Q110 V116E107-G109 PolarHBondContact O-N 2.9Å; E107-Q110 HydrophobicContact CB-CB 4.26Å; E107-Q110 VanDerWaalsContact N-OE1 3.11Å; E107-Q110 VanDerWaalsContact O-CB 3.24Å; E107-Q110 WeakPolarHBondContact O-CB 3.24Å; E107-Q110 PolarHBondContact O-N 3.43Å; E107-V116 HydrophobicContact CB-CG1 4.3Å; E107-V116 HydrophobicContact CB-CG2 4.39Å; E107-V116 HydrophobicContact CG-CG1 4.45Å; E107-V116 HydrophobicContact CG-CG2 4.23Å; E107-V116 WeakPolarHBondContact OE2-CG1 3.38Å
108Y98.5Very high98.4Very high72 Ų7260.3 Ų60.328%0.28234%0.338SS..THydrogen-bonded Turntrans-61.4130.9170.4-170.9-99.5000109.7H97 D100 T102 A163 F164H97-Y108 WeakPolarHBondContact O-CE1 3.32Å; H97-Y108 PolarHBondContact O-OH 2.9Å; D100-Y108 HydrophobicContact CB-CD2 4.02Å; D100-Y108 HydrophobicContact CB-CE2 3.78Å; T102-Y108 HydrophobicContact CG2-CD2 4.44Å; Y108-A163 HydrophobicContact CD1-CB 3.73Å; Y108-A163 HydrophobicContact CE1-CB 3.74Å; Y108-F164 AromaticContact CD1-CE2 3.79Å; Y108-F164 HydrophobicContact CD1-CE2 3.79Å; Y108-F164 AromaticContact CD1-CZ 3.65Å; Y108-F164 HydrophobicContact CD1-CZ 3.65Å; Y108-F164 AromaticContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CZ 4.05Å
109G98.4Very high98.4Very high2 Ų264 Ų642%0.02135%0.353CS..THydrogen-bonded Turntrans89-6.3-172.200000115.4Y96 A99 E107Y96-G109 WeakPolarHBondContact O-CA 3.37Å; A99-G109 VanDerWaalsContact O-CA 3.31Å; A99-G109 WeakPolarHBondContact O-CA 3.31Å; A99-G109 PolarHBondContact O-N 2.95Å; E107-G109 PolarHBondContact O-N 2.9Å
110Q98.6Very high98.4Very high27 Ų2763.7 Ų63.713%0.12635%0.351CS..PPolyproline II helixtrans-91.4123.9178.1-174.3-179.115.500111.3Y106 E107 M114 V116Y106-Q110 HydrophobicContact CD1-CG 4.16Å; E107-Q110 HydrophobicContact CB-CB 4.26Å; E107-Q110 VanDerWaalsContact N-OE1 3.11Å; E107-Q110 VanDerWaalsContact O-CB 3.24Å; E107-Q110 WeakPolarHBondContact O-CB 3.24Å; E107-Q110 PolarHBondContact O-N 3.43Å; Q110-M114 PolarHBondContact NE2-O 3.38Å; Q110-V116 HydrophobicContact CG-CG2 4.32Å
111I98.5Very high98.4Very high54 Ų5460.4 Ų60.428%0.27734%0.336SS..PPolyproline II helixtrans-72.6134.7166.8-62.2-65.2000108.8Y96 A99 Q113 M114Y96-I111 HydrophobicContact CD2-CD1 4.18Å; Y96-I111 HydrophobicContact CD2-CG1 3.6Å; Y96-I111 HydrophobicContact CE2-CD1 4.33Å; Y96-I111 HydrophobicContact CE2-CG1 3.57Å; A99-I111 HydrophobicContact CB-CD1 3.66Å; A99-I111 HydrophobicContact CB-CG1 4.38Å; I111-Q113 PolarHBondContact O-N 3.23Å; I111-M114 HydrophobicContact CB-CB 4.12Å; I111-M114 HydrophobicContact CB-CG 3.93Å; I111-M114 HydrophobicContact CG2-CB 4.5Å; I111-M114 HydrophobicContact CG2-CG 3.82Å; I111-M114 WeakPolarHBondContact O-CB 3.27Å; I111-M114 PolarHBondContact O-N 3.3Å
112P98.5Very high98.4Very high53 Ų5367.2 Ų67.234%0.34436%0.364SS..THydrogen-bonded Turntrans-50.2136.9177.7-31.236.7000113A101 Y106 M114A101-P112 HydrophobicContact CB-CG 3.64Å; Y106-P112 HydrophobicContact CD2-CB 4.38Å; Y106-P112 HydrophobicContact CD2-CG 4.27Å; Y106-P112 HydrophobicContact CE1-CB 4.41Å; Y106-P112 HydrophobicContact CE2-CB 3.81Å; Y106-P112 HydrophobicContact CE2-CG 4.12Å; P112-M114 PolarHBondContact O-N 2.88Å; P112-M114 VanDerWaalsContact O-N 3.16Å
113Q97.8Very high98.4Very high167 Ų16767.7 Ų67.778%0.7837%0.368SS*.THydrogen-bonded Turntrans645.5-177.9-54.2173.179.400115.5Y106 I111Y106-Q113 PolarHBondContact OH-N 2.93Å; I111-Q113 PolarHBondContact O-N 3.23Å
114M98.6Very high98.5Very high32 Ų3263.8 Ų63.816%0.15834%0.335CS..SBendtrans-102.6163.2172-61.3-63.299.400111Q110 I111 P112 F118 Q179 Q183Q110-M114 PolarHBondContact NE2-O 3.38Å; I111-M114 HydrophobicContact CB-CB 4.12Å; I111-M114 HydrophobicContact CB-CG 3.93Å; I111-M114 HydrophobicContact CG2-CB 4.5Å; I111-M114 HydrophobicContact CG2-CG 3.82Å; I111-M114 WeakPolarHBondContact O-CB 3.27Å; I111-M114 PolarHBondContact O-N 3.3Å; P112-M114 PolarHBondContact O-N 2.88Å; P112-M114 VanDerWaalsContact O-N 3.16Å; M114-F118 HydrophobicContact CB-CZ 4Å; M114-F118 HydrophobicContact CG-CZ 4.42Å; M114-Q179 HydrophobicContact SD-CG 4.36Å; M114-Q183 VanDerWaalsContact CE-NE2 3.32Å; M114-Q183 PolarHBondContact SD-NE2 2.59Å
115P98.5Very high98.5Very high37 Ų3757.1 Ų57.124%0.2431%0.306CS..  trans-56153.5168.5-24.935.3000112.8A117 F118 Y182P115-A117 VanDerWaalsContact CB-O 3.27Å; P115-A117 WeakPolarHBondContact CB-O 3.41Å; P115-A117 PolarHBondContact O-N 3.42Å; P115-F118 HydrophobicContact CG-CE1 4.29Å; P115-Y182 HydrophobicContact CG-CD2 4.16Å; P115-Y182 HydrophobicContact CG-CE1 3.95Å; P115-Y182 HydrophobicContact CG-CE2 3.55Å; P115-Y182 VanDerWaalsContact CG-CZ 3.44Å
116V97.9Very high98.5Very high40 Ų4059.1 Ų59.124%0.24230%0.296CS..SBendtrans-64-30.2173.4171.90000112K95 E107 Q110K95-V116 WeakPolarHBondContact CE-O 3.46Å; K95-V116 WeakPolarHBondContact CG-O 3.35Å; E107-V116 HydrophobicContact CB-CG1 4.3Å; E107-V116 HydrophobicContact CB-CG2 4.39Å; E107-V116 HydrophobicContact CG-CG1 4.45Å; E107-V116 HydrophobicContact CG-CG2 4.23Å; E107-V116 WeakPolarHBondContact OE2-CG1 3.38Å; Q110-V116 HydrophobicContact CG-CG2 4.32Å
117A98.6Very high98.5Very high19 Ų1958.6 Ų58.616%0.15730%0.295CS..SBendtrans-144.2149176.700000109.5D93 K95 P115D93-A117 HydrophobicContact CB-CB 4.11Å; K95-A117 HydrophobicContact CD-CB 4.24Å; K95-A117 HydrophobicContact CG-CB 3.83Å; P115-A117 VanDerWaalsContact CB-O 3.27Å; P115-A117 WeakPolarHBondContact CB-O 3.41Å; P115-A117 PolarHBondContact O-N 3.42Å
118F98.9Very high98.5Very high8 Ų853.5 Ų53.54%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-101.9117.6171.9-57.9-85.4000109.1D93 V94 Y96 M114 P115 T175 A178 Q179 Y182 F188D93-F118 WeakPolarHBondContact CA-O 3.2Å; V94-F118 HydrophobicContact CG2-CB 3.93Å; V94-F118 PolarHBondContact N-O 2.84Å; V94-F118 PolarHBondContact O-N 3.05Å; Y96-F118 HydrophobicContact CE2-CE2 4.18Å; M114-F118 HydrophobicContact CB-CZ 4Å; M114-F118 HydrophobicContact CG-CZ 4.42Å; P115-F118 HydrophobicContact CG-CE1 4.29Å; F118-T175 HydrophobicContact CD2-CG2 3.73Å; F118-T175 HydrophobicContact CE2-CG2 3.92Å; F118-A178 HydrophobicContact CB-CB 3.68Å; F118-A178 HydrophobicContact CG-CB 4.22Å; F118-Q179 HydrophobicContact CD1-CB 4.41Å; F118-Q179 HydrophobicContact CE1-CB 3.82Å; F118-Q179 HydrophobicContact CE1-CG 3.9Å; F118-Q179 HydrophobicContact CE2-CB 3.93Å; F118-Q179 HydrophobicContact CE2-CG 4.39Å; F118-Q179 HydrophobicContact CZ-CB 3.54Å; F118-Q179 HydrophobicContact CZ-CG 3.59Å; F118-Y182 HydrophobicContact CD1-CD2 4.34Å; F118-Y182 AromaticContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CE1-CD1 4.09Å; F118-Y182 AromaticContact CE1-CG 3.99Å; F118-Y182 HydrophobicContact CE1-CG 3.99Å; F118-F188 HydrophobicContact CB-CZ 4.2Å
119Q98.8Very high98.5Very high134 Ų13452 Ų5263%0.62627%0.271SS*.EExtended strand (participates in β ladder)trans-86.8132.3-173.6-42.4-154.4-85.600110.6D92 D93 F188D92-Q119 WeakPolarHBondContact O-CA 3.39Å; D93-Q119 VanDerWaalsContact OD1-CG 3.24Å; D93-Q119 WeakPolarHBondContact OD1-CG 3.48Å; D93-Q119 PolarHBondContact OD1-NE2 3.1Å; Q119-F188 WeakPolarHBondContact O-CE1 3.27Å; Q119-F188 WeakPolarHBondContact O-CZ 3.31Å
120S98.8Very high98.4Very high6 Ų656.3 Ų56.34%0.04229%0.291CS..PPolyproline II helixtrans-66.2151.1168-80.30000110.8S91 D92 K122 F188S91-S120 WeakPolarHBondContact O-CB 3.34Å; S91-S120 PolarHBondContact O-OG 2.79Å; S91-S120 VanDerWaalsContact O-OG 3.1Å; S91-S120 PolarHBondContact OG-OG 2.76Å; D92-S120 PolarHBondContact O-N 2.7Å; S120-K122 PolarHBondContact O-N 3.39Å; S120-F188 WeakPolarHBondContact OG-CE2 3.25Å
121S98.8Very high98.4Very high30 Ų3055.1 Ų55.121%0.2129%0.285CS..PPolyproline II helixtrans-64.6117.8178.8177.10000110.9P123 L124 I125 F188S121-P123 WeakPolarHBondContact OG-CD 3.49Å; S121-L124 WeakPolarHBondContact O-CA 3.4Å; S121-L124 WeakPolarHBondContact O-CB 3.34Å; S121-L124 PolarHBondContact O-N 3.19Å; S121-I125 WeakPolarHBondContact O-CG1 3.46Å; S121-I125 PolarHBondContact O-N 3.02Å; S121-F188 WeakPolarHBondContact CB-O 3.25Å; S121-F188 PolarHBondContact N-O 2.97Å
122K98.5Very high98.3Very high152 Ų15253 Ų5366%0.66128%0.275SS*.Hα-helixtrans-53-47179.9-64.5-178.7179.6-179.40113.4S120 L124 I125 E126S120-K122 PolarHBondContact O-N 3.39Å; K122-L124 PolarHBondContact O-N 3.18Å; K122-I125 PolarHBondContact O-N 3.27Å; K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 3.17Å
123P98.5Very high98.1Very high78 Ų7857.7 Ų57.751%0.50629%0.292SS..Hα-helixtrans-58.6-32.6174.5-26.235000114S121 K127S121-P123 WeakPolarHBondContact OG-CD 3.49Å; P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 2.89Å
124L98.8Very high98Very high7 Ų756 Ų564%0.03728%0.284CS..Hα-helixtrans-73.9-43.2176.2-63.7-179.1000111.2V69 S121 K122 E126 K127 V128 P187 V189 L228V69-L124 HydrophobicContact CB-CD1 4.07Å; V69-L124 HydrophobicContact CG1-CD1 4.19Å; V69-L124 HydrophobicContact CG1-CD2 4.31Å; S121-L124 WeakPolarHBondContact O-CA 3.4Å; S121-L124 WeakPolarHBondContact O-CB 3.34Å; S121-L124 PolarHBondContact O-N 3.19Å; K122-L124 PolarHBondContact O-N 3.18Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 2.95Å; L124-K127 PolarHBondContact O-N 3.2Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.48Å; L124-P187 HydrophobicContact CD1-CB 4.47Å; L124-V189 HydrophobicContact CB-CB 3.74Å; L124-V189 HydrophobicContact CB-CG1 3.88Å; L124-V189 HydrophobicContact CB-CG2 4.36Å; L124-V189 HydrophobicContact CD1-CB 4.13Å; L124-V189 HydrophobicContact CD1-CG1 4.05Å; L124-L228 HydrophobicContact CD2-CD1 4.47Å; L124-L228 HydrophobicContact CD2-CD2 3.54Å
125I98.7Very high97.7Very high25 Ų2557.9 Ų57.913%0.12829%0.293CS..Hα-helixtrans-56.7-44.7175.3-62.3168.2000110.7I90 D92 S121 K122 V128 S129 V141 V189I90-I125 HydrophobicContact CG2-CG1 4.46Å; I90-I125 HydrophobicContact CG2-CG2 4.21Å; D92-I125 HydrophobicContact CB-CD1 4.37Å; S121-I125 WeakPolarHBondContact O-CG1 3.46Å; S121-I125 PolarHBondContact O-N 3.02Å; K122-I125 PolarHBondContact O-N 3.27Å; I125-V128 PolarHBondContact O-N 3.4Å; I125-S129 VanDerWaalsContact O-CB 3.25Å; I125-S129 WeakPolarHBondContact O-CB 3.46Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.41Å; I125-V141 HydrophobicContact CG2-CG1 4.09Å; I125-V141 HydrophobicContact CG2-CG2 4.36Å; I125-V189 HydrophobicContact CG1-CG2 4.33Å
126E98.4Very high97.5Very high117 Ų11764.7 Ų64.755%0.54732%0.321SS..Hα-helixtrans-60.8-46.7178.1-73.2170.8-169.300111.6K122 L124 S129 Q130K122-E126 WeakPolarHBondContact O-CG 3.3Å; K122-E126 PolarHBondContact O-N 3.17Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 2.95Å; E126-S129 PolarHBondContact O-N 3.02Å; E126-Q130 WeakPolarHBondContact O-CG 3.22Å; E126-Q130 PolarHBondContact O-N 3.28Å
127K98.4Very high97.2Very high63 Ų6365.4 Ų65.427%0.27432%0.324SS..Hα-helixtrans-63.4-44176.7-73.2-176.7178.4-1630112.3P123 L124 S129 Q130 V131 L224 Q227 L228P123-K127 WeakPolarHBondContact O-CG 3.34Å; P123-K127 PolarHBondContact O-N 2.89Å; L124-K127 PolarHBondContact O-N 3.2Å; K127-S129 VanDerWaalsContact C-N 3.3Å; K127-S129 PolarHBondContact O-N 3.06Å; K127-Q130 PolarHBondContact O-N 2.96Å; K127-V131 WeakPolarHBondContact O-CG2 3.39Å; K127-V131 PolarHBondContact O-N 3.25Å; K127-L224 HydrophobicContact CB-CD1 3.58Å; K127-Q227 PolarHBondContact NZ-O 2.95Å; K127-L228 HydrophobicContact CD-CD2 3.61Å
128V98.3Very high97.1Very high0 Ų068.9 Ų68.90%034%0.343CS..Hα-helixtrans-63-40.8176.8-176.70000110.6I90 L124 I125 Q130 V131 V132 V189 V191 T220 L224I90-V128 HydrophobicContact CD1-CB 4.07Å; I90-V128 HydrophobicContact CD1-CG1 3.48Å; I90-V128 VanDerWaalsContact CD1-CG1 3.48Å; I90-V128 HydrophobicContact CG1-CB 4.47Å; I90-V128 HydrophobicContact CG1-CG1 3.65Å; I90-V128 HydrophobicContact CG2-CB 4.31Å; I90-V128 HydrophobicContact CG2-CG1 4.27Å; L124-V128 VanDerWaalsContact O-CG2 3.3Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3.48Å; I125-V128 PolarHBondContact O-N 3.4Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.33Å; V128-V131 WeakPolarHBondContact O-CB 3.35Å; V128-V131 PolarHBondContact O-N 3.41Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V128-V132 HydrophobicContact CG1-CG1 4.39Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.43Å; V128-V189 HydrophobicContact CG2-CG1 4.3Å; V128-V189 HydrophobicContact CG2-CG2 4.29Å; V128-V191 HydrophobicContact CG1-CG1 4.35Å; V128-V191 HydrophobicContact CG1-CG2 3.89Å; V128-V191 HydrophobicContact CG2-CG2 3.8Å; V128-T220 HydrophobicContact CG1-CG2 3.85Å; V128-L224 HydrophobicContact CG2-CD1 3.72Å; V128-L224 HydrophobicContact CG2-CD2 3.46Å; V128-L224 VanDerWaalsContact CG2-CD2 3.46Å; V128-L224 HydrophobicContact CG2-CG 4.1Å
129S97.8Very high97Very high41 Ų4170.3 Ų70.329%0.28736%0.357SS..Hα-helixtrans-62.5-37.8177.4-650000112.1I125 E126 K127 V132 Q133I125-S129 VanDerWaalsContact O-CB 3.25Å; I125-S129 WeakPolarHBondContact O-CB 3.46Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.41Å; E126-S129 PolarHBondContact O-N 3.02Å; K127-S129 VanDerWaalsContact C-N 3.3Å; K127-S129 PolarHBondContact O-N 3.06Å; S129-V132 WeakPolarHBondContact O-CG2 3.35Å; S129-Q133 WeakPolarHBondContact O-CB 3.25Å; S129-Q133 PolarHBondContact O-N 3.16Å; S129-Q133 VanDerWaalsContact O-N 3.17Å
130Q97.5Very high97Very high93 Ų9367 Ų6744%0.43534%0.34SS..Hα-helixtrans-66.4-42.9172.4-70.5169.912.600111.9E126 K127 V128 Q133 Q134E126-Q130 WeakPolarHBondContact O-CG 3.22Å; E126-Q130 PolarHBondContact O-N 3.28Å; K127-Q130 PolarHBondContact O-N 2.96Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.33Å; Q130-Q133 PolarHBondContact O-N 3.01Å; Q130-Q134 VanDerWaalsContact O-CG 3.23Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 3.4Å
131V97.5Very high96.9Very high1 Ų169.7 Ų69.71%0.00636%0.356CS..Hα-helixtrans-58.2-52.4176.6166.80000111.4K127 V128 Q133 Q134 Q135 T220 A223 L224 Q227K127-V131 WeakPolarHBondContact O-CG2 3.39Å; K127-V131 PolarHBondContact O-N 3.25Å; V128-V131 WeakPolarHBondContact O-CB 3.35Å; V128-V131 PolarHBondContact O-N 3.41Å; V128-V131 VanDerWaalsContact O-N 3.16Å; V131-Q133 VanDerWaalsContact C-N 3.29Å; V131-Q133 PolarHBondContact O-N 3.41Å; V131-Q134 PolarHBondContact O-N 2.91Å; V131-Q135 HydrophobicContact CG1-CG 4.5Å; V131-Q135 WeakPolarHBondContact O-CG 3.21Å; V131-Q135 PolarHBondContact O-N 2.7Å; V131-T220 HydrophobicContact CG1-CG2 4.04Å; V131-A223 HydrophobicContact CB-CB 4.5Å; V131-A223 HydrophobicContact CG1-CB 3.43Å; V131-A223 VanDerWaalsContact CG1-CB 3.43Å; V131-A223 HydrophobicContact CG2-CB 4.25Å; V131-L224 HydrophobicContact CG2-CB 4.45Å; V131-Q227 VanDerWaalsContact CG2-CD 3.49Å; V131-Q227 HydrophobicContact CG2-CG 4.3Å
132V96.4Very high96.9Very high10 Ų1068.7 Ų68.76%0.06135%0.351CS..Hα-helixtrans-64.6-35.3-177.7-61.50000111.7V88 I90 V128 S129 Q135 Q136 L137 A139 T220V88-V132 HydrophobicContact CB-CG1 4.31Å; V88-V132 HydrophobicContact CG1-CG1 3.94Å; I90-V132 HydrophobicContact CD1-CG1 4.48Å; I90-V132 HydrophobicContact CD1-CG2 4.32Å; V128-V132 HydrophobicContact CG1-CG1 4.39Å; V128-V132 WeakPolarHBondContact O-CG2 3.25Å; V128-V132 PolarHBondContact O-N 3.43Å; S129-V132 WeakPolarHBondContact O-CG2 3.35Å; V132-Q135 PolarHBondContact O-N 2.71Å; V132-Q136 PolarHBondContact O-N 3.02Å; V132-L137 HydrophobicContact CB-CB 4.41Å; V132-L137 PolarHBondContact O-N 2.84Å; V132-A139 HydrophobicContact CB-CB 3.78Å; V132-A139 HydrophobicContact CG1-CB 3.94Å; V132-A139 HydrophobicContact CG2-CB 3.62Å; V132-T220 HydrophobicContact CG1-CG2 3.74Å
133Q95.6Very high97Very high152 Ų15262.6 Ų62.671%0.7133%0.325SS*.Hα-helixtrans-64.4-44.3174.1-173.2-178.916.200111.9S129 Q130 V131 Q135 Q136S129-Q133 WeakPolarHBondContact O-CB 3.25Å; S129-Q133 PolarHBondContact O-N 3.16Å; S129-Q133 VanDerWaalsContact O-N 3.17Å; Q130-Q133 PolarHBondContact O-N 3.01Å; V131-Q133 VanDerWaalsContact C-N 3.29Å; V131-Q133 PolarHBondContact O-N 3.41Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q133-Q136 PolarHBondContact O-N 3.05Å
134Q95Very high97Very high131 Ų13158.9 Ų58.961%0.61230%0.301SS*.Hα-helixtrans-64.9-36.9177.8-72.1168.310.200112.2Q130 V131 Q136 Q227Q130-Q134 VanDerWaalsContact O-CG 3.23Å; Q130-Q134 WeakPolarHBondContact O-CG 3.48Å; Q130-Q134 PolarHBondContact O-N 3.4Å; V131-Q134 PolarHBondContact O-N 2.91Å; Q134-Q136 PolarHBondContact O-N 3.47Å; Q134-Q227 VanDerWaalsContact OE1-NE2 3.1Å
135Q93Very high97Very high71 Ų7158.6 Ų58.633%0.33230%0.299SS..THydrogen-bonded Turntrans-80.1-4.9177.4-67.4178.4-29.700113.3V131 V132 Q133 L137 Q219 A223V131-Q135 HydrophobicContact CG1-CG 4.5Å; V131-Q135 WeakPolarHBondContact O-CG 3.21Å; V131-Q135 PolarHBondContact O-N 2.7Å; V132-Q135 PolarHBondContact O-N 2.71Å; Q133-Q135 VanDerWaalsContact C-N 3.32Å; Q133-Q135 PolarHBondContact O-N 3.02Å; Q135-L137 HydrophobicContact CB-CD1 3.97Å; Q135-L137 HydrophobicContact CB-CG 3.78Å; Q135-L137 PolarHBondContact O-N 3.44Å; Q135-L137 VanDerWaalsContact OE1-CD1 3.25Å; Q135-Q219 PolarHBondContact NE2-O 3.02Å; Q135-A223 VanDerWaalsContact NE2-CB 3.28Å
136Q93.3Very high97Very high180 Ų18057.4 Ų57.484%0.84129%0.293SS*.THydrogen-bonded Turntrans54.835.4-175.9-58170.743.700112.3V132 Q133 Q134V132-Q136 PolarHBondContact O-N 3.02Å; Q133-Q136 PolarHBondContact O-N 3.05Å; Q134-Q136 PolarHBondContact O-N 3.47Å
137L92.5Very high97Very high55 Ų5551.8 Ų51.829%0.28827%0.267SS..  trans-85.3143.3175.9-64.3176.9000110.2V88 V132 Q135 A139V88-L137 HydrophobicContact CG2-CB 4.47Å; V88-L137 HydrophobicContact CG2-CD1 4.03Å; V132-L137 HydrophobicContact CB-CB 4.41Å; V132-L137 PolarHBondContact O-N 2.84Å; Q135-L137 HydrophobicContact CB-CD1 3.97Å; Q135-L137 HydrophobicContact CB-CG 3.78Å; Q135-L137 PolarHBondContact O-N 3.44Å; Q135-L137 VanDerWaalsContact OE1-CD1 3.25Å; L137-A139 PolarHBondContact O-N 2.82Å
138T95Very high97Very high93 Ų9352.3 Ų52.357%0.57127%0.273SS*.  trans-68.8121.4164.9-55.70000108.2D87 V88D87-T138 HydrophobicContact CB-CG2 4.35Å; D87-T138 WeakPolarHBondContact OD1-CB 3.41Å; D87-T138 WeakPolarHBondContact OD1-CG2 3.38Å; V88-T138 PolarHBondContact N-O 3.39Å
139A97.1Very high97Very high38 Ų3855 Ų5531%0.31429%0.292SS..EExtended strand (participates in β ladder)trans-139.2152.7179.300000111.5V88 V132 L137V88-A139 HydrophobicContact CB-CB 3.93Å; V88-A139 HydrophobicContact CG1-CB 4.42Å; V88-A139 CarbonylContact O-C 3.21Å; V88-A139 WeakPolarHBondContact O-CA 3.3Å; V132-A139 HydrophobicContact CB-CB 3.78Å; V132-A139 HydrophobicContact CG1-CB 3.94Å; V132-A139 HydrophobicContact CG2-CB 3.62Å; L137-A139 PolarHBondContact O-N 2.82Å
140K98.1Very high96.9Very high65 Ų6557.1 Ų57.128%0.28330%0.296SS..EExtended strand (participates in β ladder)trans-133.1135.6174.8-165169.3-168.1164.40110.9D80 S82 L83 V88 I90 M168D80-K140 VanDerWaalsContact CG-NZ 3.3Å; D80-K140 IonicContact OD1-NZ 2.91Å; D80-K140 IonicContact OD2-NZ 3.43Å; D80-K140 PolarHBondContact OD2-NZ 2.91Å; S82-K140 PolarHBondContact OG-NZ 2.85Å; L83-K140 HydrophobicContact CD2-CB 4.01Å; L83-K140 HydrophobicContact CD2-CD 4.1Å; L83-K140 HydrophobicContact CG-CD 4.47Å; V88-K140 PolarHBondContact O-N 2.82Å; I90-K140 PolarHBondContact N-O 3.46Å; K140-M168 HydrophobicContact CB-SD 4.08Å; K140-M168 HydrophobicContact CD-SD 4.12Å; K140-M168 HydrophobicContact CG-SD 3.85Å
141V98.7Very high96.9Very high61 Ų6153.1 Ų53.137%0.3728%0.278SS..EExtended strand (participates in β ladder)trans-96.5132.9169.5-175.50000108.5I90 D92 I125I90-V141 HydrophobicContact CB-CG2 4.07Å; I90-V141 HydrophobicContact CD1-CG2 4.07Å; I90-V141 CarbonylContact O-C 3.58Å; I90-V141 VanDerWaalsContact O-CA 3.22Å; I90-V141 WeakPolarHBondContact O-CA 3.36Å; D92-V141 HydrophobicContact CB-CG1 3.94Å; I125-V141 HydrophobicContact CG2-CG1 4.09Å; I125-V141 HydrophobicContact CG2-CG2 4.36Å
142G98.6Very high96.7Very high10 Ų1054.3 Ų54.310%0.10329%0.29CS..EExtended strand (participates in β ladder)trans168.6-171.5176.300000115.1I90 S91 D92 I144 M168I90-G142 PolarHBondContact O-N 3.19Å; S91-G142 WeakPolarHBondContact CA-O 3.39Å; D92-G142 PolarHBondContact N-O 3.45Å; D92-G142 VanDerWaalsContact OD1-CA 3.24Å; D92-G142 WeakPolarHBondContact OD1-CA 3.09Å; D92-G142 VanDerWaalsContact OD1-O 3.12Å; G142-I144 PolarHBondContact O-N 3.1Å; G142-M168 WeakPolarHBondContact O-CE 3.27Å
143L98.8Very high96.6Very high24 Ų2455.2 Ų55.213%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-70.4121.3-175.1174.263.6000111.9D92 D93 K95 V145 F164 A167 M168D92-L143 PolarHBondContact OD1-N 3.17Å; D93-L143 HydrophobicContact CB-CD1 4.17Å; K95-L143 HydrophobicContact CB-CD1 4.2Å; K95-L143 HydrophobicContact CD-CD1 4.17Å; K95-L143 HydrophobicContact CG-CD1 3.86Å; L143-V145 HydrophobicContact CD1-CG1 4.23Å; L143-V145 HydrophobicContact CD2-CG1 4.22Å; L143-V145 HydrophobicContact CG-CG1 4.04Å; L143-F164 HydrophobicContact CD2-CB 4.34Å; L143-A167 HydrophobicContact CD2-CB 4.18Å; L143-A167 HydrophobicContact CG-CB 4.36Å; L143-M168 WeakPolarHBondContact O-CG 3.11Å; L143-M168 PolarHBondContact O-N 3.31Å
144I98.9Very high96.5Very high0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-105.6137.7167.9-55.7-178.2000108.7L89 D93 V94 K95 G142 M168 A169 E171 V190L89-I144 HydrophobicContact CB-CD1 4.13Å; D93-I144 PolarHBondContact O-N 3.33Å; V94-I144 VanDerWaalsContact CA-O 3.22Å; V94-I144 WeakPolarHBondContact CA-O 3.35Å; V94-I144 HydrophobicContact CG1-CB 4.16Å; K95-I144 PolarHBondContact N-O 2.82Å; G142-I144 PolarHBondContact O-N 3.1Å; I144-M168 HydrophobicContact CD1-CE 4.03Å; I144-M168 HydrophobicContact CG1-CE 3.7Å; I144-A169 HydrophobicContact CG1-CB 4.38Å; I144-A169 HydrophobicContact CG2-CB 4.44Å; I144-E171 HydrophobicContact CG2-CG 3.81Å; I144-V190 HydrophobicContact CD1-CG1 4Å
145V98.9Very high96.6Very high0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-116.6143.9178.7-61.20000112.8L79 K95 H97 L143 I160 F164 A167 A169 V170 E171L79-V145 HydrophobicContact CD1-CG2 4.04Å; K95-V145 HydrophobicContact CB-CG1 4.31Å; K95-V145 CarbonylContact O-C 3.49Å; K95-V145 WeakPolarHBondContact O-CA 3.29Å; K95-V145 WeakPolarHBondContact O-CB 3.08Å; H97-V145 HydrophobicContact CB-CB 3.96Å; H97-V145 HydrophobicContact CB-CG2 3.93Å; L143-V145 HydrophobicContact CD1-CG1 4.23Å; L143-V145 HydrophobicContact CD2-CG1 4.22Å; L143-V145 HydrophobicContact CG-CG1 4.04Å; V145-I160 HydrophobicContact CG2-CG2 3.82Å; V145-F164 HydrophobicContact CG1-CB 4.44Å; V145-F164 HydrophobicContact CG1-CD1 4.48Å; V145-F164 HydrophobicContact CG1-CD2 4.47Å; V145-F164 HydrophobicContact CG1-CG 4.2Å; V145-A167 HydrophobicContact CG1-CB 3.94Å; V145-A167 HydrophobicContact CG2-CB 4.24Å; V145-A169 PolarHBondContact N-O 3.45Å; V145-V170 HydrophobicContact CG2-CB 4.08Å; V145-V170 HydrophobicContact CG2-CG2 4.12Å; V145-V170 VanDerWaalsContact O-CA 3.26Å; V145-V170 WeakPolarHBondContact O-CA 3.35Å; V145-E171 PolarHBondContact O-N 2.8Å; V145-E171 VanDerWaalsContact O-N 3.09Å
146S98.9Very high96.8Very high0 Ų051 Ų510%028%0.281CS..EExtended strand (participates in β ladder)trans-118149.5180-360000113.4K95 Y96 H97 E171 A174 T175K95-S146 PolarHBondContact O-N 2.98Å; Y96-S146 CarbonylContact C-O 3.4Å; Y96-S146 VanDerWaalsContact CA-O 3.28Å; Y96-S146 WeakPolarHBondContact CA-O 3.45Å; H97-S146 PolarHBondContact CD2-O 2.9Å; H97-S146 VanDerWaalsContact CD2-O 3.28Å; H97-S146 PolarHBondContact N-O 2.72Å; S146-E171 WeakPolarHBondContact CA-O 3.24Å; S146-E171 VanDerWaalsContact CB-OE1 3.22Å; S146-E171 WeakPolarHBondContact CB-OE1 3.32Å; S146-E171 PolarHBondContact OG-OE1 2.95Å; S146-A174 PolarHBondContact OG-N 3.24Å; S146-T175 WeakPolarHBondContact CB-OG1 3.22Å; S146-T175 VanDerWaalsContact OG-CB 3.24Å; S146-T175 WeakPolarHBondContact OG-CB 3.15Å; S146-T175 PolarHBondContact OG-N 2.46Å; S146-T175 PolarHBondContact OG-OG1 2.99Å
147G98.7Very high97Very high0 Ų044 Ų440%025%0.247CC..  trans-163.2167.1169.300000111.9H97 D98 S149 E171 M172H97-G147 PolarHBondContact CD2-N 2.73Å; H97-G147 WeakPolarHBondContact NE2-CA 3.46Å; H97-G147 PolarHBondContact NE2-N 3.39Å; D98-G147 VanDerWaalsContact OD2-CA 3.25Å; D98-G147 WeakPolarHBondContact OD2-CA 3.39Å; G147-S149 PolarHBondContact O-N 3.46Å; G147-E171 PolarHBondContact N-O 3.48Å; G147-M172 WeakPolarHBondContact O-CA 3.43Å; G147-M172 WeakPolarHBondContact O-CB 3.34Å; G147-M172 VanDerWaalsContact O-CG 3.25Å; G147-M172 WeakPolarHBondContact O-CG 3.31Å
148D98.2Very high97.2Very high73 Ų7347.1 Ų47.139%0.3926%0.26SS..SBendtrans-86.751.8179.6-71.6-35.8000111.1G50 K51 D98G50-D148 WeakPolarHBondContact CA-OD1 3.46Å; K51-D148 WeakPolarHBondContact CB-OD1 3.49Å; K51-D148 WeakPolarHBondContact CE-OD2 3.41Å; K51-D148 WeakPolarHBondContact CG-OD1 3.25Å; K51-D148 PolarHBondContact N-OD1 3Å; K51-D148 IonicContact NZ-OD2 2.59Å; D98-D148 PolarHBondContact OD2-N 2.85Å
149S97.6Very high97.3Very high58 Ų5849.5 Ų49.541%0.40626%0.263SS..SBendtrans-153.2132.7177.2-67.10000111.2G147G147-S149 PolarHBondContact O-N 3.46Å
150F97.1Very high97.4Very high84 Ų8448.1 Ų48.137%0.36825%0.25SC..  trans-68.9132.6165.3-175.4-103.1000109.9G152 Q156 A202 E203 F206F150-G152 PolarHBondContact O-N 3.19Å; F150-Q156 PolarHBondContact O-NE2 3.4Å; F150-A202 HydrophobicContact CE1-CB 3.76Å; F150-A202 HydrophobicContact CZ-CB 3.62Å; F150-E203 HydrophobicContact CE1-CB 4.19Å; F150-F206 HydrophobicContact CE2-CB 4.38Å; F150-F206 HydrophobicContact CE2-CG 4.37Å; F150-F206 HydrophobicContact CZ-CB 4.27Å
151I97.2Very high97.4Very high10 Ų1047.6 Ų47.65%0.05125%0.247CC..  trans-98.788.8-176.9-53-51.6000108.8Q156 R157 I160 V170 A198I151-Q156 HydrophobicContact CD1-CB 4.32Å; I151-Q156 HydrophobicContact CG2-CB 3.86Å; I151-R157 HydrophobicContact CG2-CB 4.44Å; I151-I160 HydrophobicContact CD1-CD1 3.58Å; I151-I160 HydrophobicContact CG1-CD1 3.68Å; I151-I160 HydrophobicContact CG2-CD1 4.26Å; I151-V170 HydrophobicContact CB-CG1 3.99Å; I151-V170 HydrophobicContact CG1-CB 4.37Å; I151-V170 HydrophobicContact CG1-CG1 3.81Å; I151-V170 HydrophobicContact CG1-CG2 3.68Å; I151-V170 HydrophobicContact CG2-CG1 4.44Å; I151-A198 HydrophobicContact CB-CB 4.28Å; I151-A198 HydrophobicContact CG2-CB 4Å; I151-A198 CarbonylContact O-C 3.43Å; I151-A198 VanDerWaalsContact O-CA 3.29Å; I151-A198 WeakPolarHBondContact O-CA 3.38Å
152G93.8Very high97.3Very high25 Ų2553.6 Ų53.626%0.25827%0.268SS..  trans-114.212.1-175.400000114.8F150 N199 G200F150-G152 PolarHBondContact O-N 3.19Å; G152-N199 CarbonylContact C-O 3.1Å; G152-N199 WeakPolarHBondContact CA-O 3.15Å; G152-N199 CarbonylContact O-C 3.5Å; G152-G200 WeakPolarHBondContact O-CA 3.33Å
153S94.1Very high97.3Very high29 Ų2955.2 Ų55.220%0.20328%0.281CS..SBendtrans-133151.1-179.7110.70000112.1E155 Q156 R157S153-E155 WeakPolarHBondContact CB-OE2 3.38Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-E155 PolarHBondContact OG-OE2 3.49Å; S153-Q156 VanDerWaalsContact N-OE1 3.08Å; S153-Q156 PolarHBondContact O-N 3.37Å; S153-Q156 PolarHBondContact OG-N 3.05Å; S153-Q156 VanDerWaalsContact OG-N 3.08Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 3.44Å
154V93.7Very high97.3Very high64 Ų6454.7 Ų54.739%0.38828%0.277SS..Hα-helixtrans-61.6-37176176.30000110.6R157 Q158V154-R157 WeakPolarHBondContact O-CB 3.5Å; V154-R157 PolarHBondContact O-N 3.2Å; V154-Q158 HydrophobicContact CG1-CG 4.22Å; V154-Q158 VanDerWaalsContact O-CB 3.32Å; V154-Q158 WeakPolarHBondContact O-CB 3.41Å; V154-Q158 WeakPolarHBondContact O-CG 3.49Å; V154-Q158 PolarHBondContact O-N 3.21Å
155E96.1Very high97.3Very high132 Ų13258.6 Ų58.662%0.61730%0.303SS*.Hα-helixtrans-65.4-44177.4-57.275.2-163.400111.7S153 Q158 K159S153-E155 WeakPolarHBondContact CB-OE2 3.38Å; S153-E155 PolarHBondContact O-N 3.32Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-E155 PolarHBondContact OG-OE2 3.49Å; E155-Q158 PolarHBondContact O-N 2.7Å; E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 PolarHBondContact O-N 3.22Å
156Q97.3Very high97.2Very high69 Ų6965.3 Ų65.332%0.32234%0.339SS..Hα-helixtrans-62.2-47.2175.7-67.5175.6-62.200110.6F150 I151 S153 Q158 K159 I160F150-Q156 PolarHBondContact O-NE2 3.4Å; I151-Q156 HydrophobicContact CD1-CB 4.32Å; I151-Q156 HydrophobicContact CG2-CB 3.86Å; S153-Q156 VanDerWaalsContact N-OE1 3.08Å; S153-Q156 PolarHBondContact O-N 3.37Å; S153-Q156 PolarHBondContact OG-N 3.05Å; S153-Q156 VanDerWaalsContact OG-N 3.08Å; Q156-Q158 PolarHBondContact O-N 2.91Å; Q156-K159 PolarHBondContact O-N 2.93Å; Q156-I160 WeakPolarHBondContact O-CG1 3.24Å; Q156-I160 PolarHBondContact O-N 2.74Å; Q156-I160 VanDerWaalsContact O-N 3.11Å
157R96.8Very high97.2Very high35 Ų3565.3 Ų65.313%0.13234%0.339CS..Hα-helixtrans-55.3-51175.1-175.4-168177.679.5-1.6111.8A78 L79 I151 S153 V154 K159 I160 K161 L197 A198A78-R157 PolarHBondContact O-NH1 2.94Å; L79-R157 VanDerWaalsContact C-NH2 3.32Å; L79-R157 HydrophobicContact CD2-CG 3.82Å; L79-R157 PolarHBondContact O-NH2 3.06Å; I151-R157 HydrophobicContact CG2-CB 4.44Å; S153-R157 WeakPolarHBondContact O-CB 3.43Å; S153-R157 PolarHBondContact O-N 3.44Å; V154-R157 WeakPolarHBondContact O-CB 3.5Å; V154-R157 PolarHBondContact O-N 3.2Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 2.88Å; R157-I160 PolarHBondContact O-N 2.96Å; R157-K161 HydrophobicContact CG-CG 4.46Å; R157-K161 WeakPolarHBondContact O-CG 3.24Å; R157-K161 PolarHBondContact O-N 3.07Å; R157-L197 PolarHBondContact NH1-O 3.22Å; R157-A198 WeakPolarHBondContact CB-O 3.11Å; R157-A198 WeakPolarHBondContact CD-O 3.39Å
158Q96.7Very high97.2Very high120 Ų12065.4 Ų65.456%0.56134%0.34SS*.Hα-helixtrans-63.7-39.4-178.8-76.6175.4-4.900112V154 E155 Q156 I160 K161 K162V154-Q158 HydrophobicContact CG1-CG 4.22Å; V154-Q158 VanDerWaalsContact O-CB 3.32Å; V154-Q158 WeakPolarHBondContact O-CB 3.41Å; V154-Q158 WeakPolarHBondContact O-CG 3.49Å; V154-Q158 PolarHBondContact O-N 3.21Å; E155-Q158 PolarHBondContact O-N 2.7Å; Q156-Q158 PolarHBondContact O-N 2.91Å; Q158-I160 VanDerWaalsContact C-N 3.32Å; Q158-I160 PolarHBondContact O-N 3.3Å; Q158-K161 PolarHBondContact O-N 3.44Å; Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 2.88Å
159K97.9Very high97.2Very high143 Ų14362 Ų6262%0.62232%0.321SS*.Hα-helixtrans-57.7-46.5174.2-177.3-178176.4-175.20111E155 Q156 R157 K162 A163E155-K159 WeakPolarHBondContact O-CB 3.23Å; E155-K159 PolarHBondContact O-N 3.22Å; Q156-K159 PolarHBondContact O-N 2.93Å; R157-K159 VanDerWaalsContact C-N 3.35Å; R157-K159 PolarHBondContact O-N 2.88Å; K159-K162 PolarHBondContact O-N 3.04Å; K159-A163 PolarHBondContact O-N 2.9Å
160I98.5Very high97.3Very high8 Ų859.5 Ų59.54%0.04130%0.304CS..Hα-helixtrans-65.9-49.3177.8-64.5172.7000110.7L79 H97 V145 I151 Q156 R157 Q158 K162 A163 F164 V170L79-I160 HydrophobicContact CD1-CG2 3.62Å; H97-I160 HydrophobicContact CB-CD1 4.48Å; H97-I160 HydrophobicContact CB-CG1 4.22Å; H97-I160 HydrophobicContact CB-CG2 4.22Å; V145-I160 HydrophobicContact CG2-CG2 3.82Å; I151-I160 HydrophobicContact CD1-CD1 3.58Å; I151-I160 HydrophobicContact CG1-CD1 3.68Å; I151-I160 HydrophobicContact CG2-CD1 4.26Å; Q156-I160 WeakPolarHBondContact O-CG1 3.24Å; Q156-I160 PolarHBondContact O-N 2.74Å; Q156-I160 VanDerWaalsContact O-N 3.11Å; R157-I160 PolarHBondContact O-N 2.96Å; Q158-I160 VanDerWaalsContact C-N 3.32Å; Q158-I160 PolarHBondContact O-N 3.3Å; I160-K162 PolarHBondContact O-N 3.34Å; I160-A163 PolarHBondContact O-N 2.92Å; I160-A163 VanDerWaalsContact O-N 3.09Å; I160-F164 HydrophobicContact CG2-CD2 4.26Å; I160-F164 PolarHBondContact O-N 2.8Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å
161K98.1Very high97.3Very high55 Ų5556.1 Ų56.124%0.23929%0.289CS..Hα-helixtrans-61.3-30.8179-70.5-62.1-53.7-168.80113.1L79 R157 Q158 F164 P165 A167L79-K161 HydrophobicContact CB-CD 3.92Å; L79-K161 PolarHBondContact O-NZ 2.91Å; R157-K161 HydrophobicContact CG-CG 4.46Å; R157-K161 WeakPolarHBondContact O-CG 3.24Å; R157-K161 PolarHBondContact O-N 3.07Å; Q158-K161 PolarHBondContact O-N 3.44Å; K161-F164 CarbonylContact O-C 3.51Å; K161-P165 VanDerWaalsContact CE-O 3.27Å; K161-P165 WeakPolarHBondContact CE-O 3.28Å; K161-P165 PolarHBondContact NZ-O 3.36Å; K161-P165 WeakPolarHBondContact O-CA 3.24Å; K161-P165 VanDerWaalsContact O-N 3.15Å; K161-A167 PolarHBondContact NZ-O 3.45Å
162K98.4Very high97.4Very high186 Ų18657.5 Ų57.581%0.80930%0.296SS*.Hα-helixtrans-67.1-41.2174.7-177.6178.1177.5-178.70111.8Q158 K159 I160Q158-K162 VanDerWaalsContact O-CB 3.29Å; Q158-K162 WeakPolarHBondContact O-CB 3.39Å; Q158-K162 PolarHBondContact O-N 2.88Å; K159-K162 PolarHBondContact O-N 3.04Å; I160-K162 PolarHBondContact O-N 3.34Å
163A98.3Very high97.7Very high44 Ų4456.7 Ų56.736%0.36429%0.285SS..Hα-helixtrans-79.2-35178.900000112.7Y108 K159 I160Y108-A163 HydrophobicContact CD1-CB 3.73Å; Y108-A163 HydrophobicContact CE1-CB 3.74Å; K159-A163 PolarHBondContact O-N 2.9Å; I160-A163 PolarHBondContact O-N 2.92Å; I160-A163 VanDerWaalsContact O-N 3.09Å
164F98.5Very high97.9Very high13 Ų1355.3 Ų55.36%0.05728%0.276CS..  trans-130.376.3-177.9-50.8-83.3000110.4K95 Y96 H97 Y108 L143 V145 I160 K161 N166 A167K95-F164 HydrophobicContact CB-CE1 4.43Å; K95-F164 HydrophobicContact CD-CD1 4.26Å; K95-F164 HydrophobicContact CD-CE1 4.05Å; Y96-F164 WeakPolarHBondContact O-CZ 3.49Å; H97-F164 VanDerWaalsContact CA-CE2 3.49Å; H97-F164 HydrophobicContact CB-CD2 4.12Å; H97-F164 HydrophobicContact CB-CE2 3.72Å; Y108-F164 AromaticContact CD1-CE2 3.79Å; Y108-F164 HydrophobicContact CD1-CE2 3.79Å; Y108-F164 AromaticContact CD1-CZ 3.65Å; Y108-F164 HydrophobicContact CD1-CZ 3.65Å; Y108-F164 AromaticContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CE2 3.77Å; Y108-F164 HydrophobicContact CE1-CZ 4.05Å; L143-F164 HydrophobicContact CD2-CB 4.34Å; V145-F164 HydrophobicContact CG1-CB 4.44Å; V145-F164 HydrophobicContact CG1-CD1 4.48Å; V145-F164 HydrophobicContact CG1-CD2 4.47Å; V145-F164 HydrophobicContact CG1-CG 4.2Å; I160-F164 HydrophobicContact CG2-CD2 4.26Å; I160-F164 PolarHBondContact O-N 2.8Å; K161-F164 CarbonylContact O-C 3.51Å; F164-N166 PolarHBondContact O-N 3.43Å; F164-N166 VanDerWaalsContact O-N 3.1Å; F164-A167 HydrophobicContact CB-CB 3.76Å; F164-A167 WeakPolarHBondContact O-CB 3.22Å; F164-A167 PolarHBondContact O-N 3.18Å
165P98.1Very high98.1Very high83 Ų8352.3 Ų52.354%0.53926%0.257SS..THydrogen-bonded Turntrans-56.6-30.9-176.5-27.636000114.2K161K161-P165 VanDerWaalsContact CE-O 3.27Å; K161-P165 WeakPolarHBondContact CE-O 3.28Å; K161-P165 PolarHBondContact NZ-O 3.36Å; K161-P165 WeakPolarHBondContact O-CA 3.24Å; K161-P165 VanDerWaalsContact O-N 3.15Å
166N97.8Very high98.3Very high140 Ų14046.1 Ų46.175%0.74923%0.228SC*.THydrogen-bonded Turntrans-931.6-178.8-60.7-15.8000113.7F164 M168F164-N166 PolarHBondContact O-N 3.43Å; F164-N166 VanDerWaalsContact O-N 3.1Å; N166-M168 PolarHBondContact O-N 2.84Å
167A98.6Very high98.3Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-64.7127.3174.800000109.8L79 L143 V145 K161 F164L79-A167 WeakPolarHBondContact CB-O 3.34Å; L79-A167 HydrophobicContact CD1-CB 3.85Å; L143-A167 HydrophobicContact CD2-CB 4.18Å; L143-A167 HydrophobicContact CG-CB 4.36Å; V145-A167 HydrophobicContact CG1-CB 3.94Å; V145-A167 HydrophobicContact CG2-CB 4.24Å; K161-A167 PolarHBondContact NZ-O 3.45Å; F164-A167 HydrophobicContact CB-CB 3.76Å; F164-A167 WeakPolarHBondContact O-CB 3.22Å; F164-A167 PolarHBondContact O-N 3.18Å
168M98.3Very high98.4Very high3 Ų341.2 Ų41.22%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-97.2-25-179.573.4176.9-177.600113L79 D80 L83 L89 I90 K140 G142 L143 I144 N166L79-M168 PolarHBondContact N-O 2.84Å; D80-M168 HydrophobicContact CB-CB 4.11Å; D80-M168 PolarHBondContact N-O 3.34Å; L83-M168 HydrophobicContact CD1-CB 4.27Å; L83-M168 WeakPolarHBondContact CD1-O 3.46Å; L89-M168 HydrophobicContact CB-CE 4.02Å; L89-M168 HydrophobicContact CD2-CE 4.13Å; L89-M168 HydrophobicContact CD2-SD 4.25Å; I90-M168 WeakPolarHBondContact O-CE 3.34Å; K140-M168 HydrophobicContact CB-SD 4.08Å; K140-M168 HydrophobicContact CD-SD 4.12Å; K140-M168 HydrophobicContact CG-SD 3.85Å; G142-M168 WeakPolarHBondContact O-CE 3.27Å; L143-M168 WeakPolarHBondContact O-CG 3.11Å; L143-M168 PolarHBondContact O-N 3.31Å; I144-M168 HydrophobicContact CD1-CE 4.03Å; I144-M168 HydrophobicContact CG1-CE 3.7Å; N166-M168 PolarHBondContact O-N 2.84Å
169A98.7Very high98.5Very high0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-151.5160.4179.500000112.6A76 G77 L89 I144 V145A76-A169 HydrophobicContact CB-CB 4.1Å; G77-A169 CarbonylContact O-C 3.59Å; G77-A169 WeakPolarHBondContact O-CA 3.36Å; G77-A169 WeakPolarHBondContact O-CB 3.36Å; L89-A169 HydrophobicContact CD1-CB 3.53Å; I144-A169 HydrophobicContact CG1-CB 4.38Å; I144-A169 HydrophobicContact CG2-CB 4.44Å; V145-A169 PolarHBondContact N-O 3.45Å
170V98.8Very high98.6Very high7 Ų731.4 Ų31.44%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-131.114217661.20000111.7G77 L79 V145 I151 I160 A198G77-V170 PolarHBondContact N-O 3.01Å; G77-V170 PolarHBondContact O-N 3.36Å; L79-V170 HydrophobicContact CD1-CB 3.94Å; L79-V170 HydrophobicContact CD1-CG1 4.28Å; L79-V170 HydrophobicContact CD2-CG1 4.08Å; L79-V170 HydrophobicContact CG-CB 4.19Å; L79-V170 HydrophobicContact CG-CG1 4.01Å; V145-V170 HydrophobicContact CG2-CB 4.08Å; V145-V170 HydrophobicContact CG2-CG2 4.12Å; V145-V170 VanDerWaalsContact O-CA 3.26Å; V145-V170 WeakPolarHBondContact O-CA 3.35Å; I151-V170 HydrophobicContact CB-CG1 3.99Å; I151-V170 HydrophobicContact CG1-CB 4.37Å; I151-V170 HydrophobicContact CG1-CG1 3.81Å; I151-V170 HydrophobicContact CG1-CG2 3.68Å; I151-V170 HydrophobicContact CG2-CG1 4.44Å; I160-V170 HydrophobicContact CD1-CG2 4.09Å; V170-A198 HydrophobicContact CG1-CB 3.97Å
171E98.5Very high98.6Very high12 Ų1231 Ų316%0.05616%0.163CC..EExtended strand (participates in β ladder)trans-155.8-167.217648.369.1-121.700109.9A76 I144 V145 S146 G147 E173 A174 R192A76-E171 HydrophobicContact CB-CB 4.08Å; A76-E171 HydrophobicContact CB-CG 4.23Å; I144-E171 HydrophobicContact CG2-CG 3.81Å; V145-E171 PolarHBondContact O-N 2.8Å; V145-E171 VanDerWaalsContact O-N 3.09Å; S146-E171 WeakPolarHBondContact CA-O 3.24Å; S146-E171 VanDerWaalsContact CB-OE1 3.22Å; S146-E171 WeakPolarHBondContact CB-OE1 3.32Å; S146-E171 PolarHBondContact OG-OE1 2.95Å; G147-E171 PolarHBondContact N-O 3.48Å; E171-E173 WeakPolarHBondContact OE2-CA 3.15Å; E171-E173 PolarHBondContact OE2-N 2.92Å; E171-A174 VanDerWaalsContact CD-CB 3.44Å; E171-A174 HydrophobicContact CG-CB 4.45Å; E171-A174 VanDerWaalsContact OE1-CB 3.25Å; E171-A174 WeakPolarHBondContact OE1-CB 3.21Å; E171-A174 PolarHBondContact OE1-N 2.68Å; E171-A174 WeakPolarHBondContact OE2-CB 3.26Å; E171-A174 PolarHBondContact OE2-N 3.07Å; E171-R192 IonicContact OE2-CZ 2.74Å; E171-R192 IonicContact OE2-NH1 3.76Å; E171-R192 PolarHBondContact OE2-NH1 2.75Å
172M98.7Very high98.7Very high40 Ų4034 Ų3420%0.19717%0.173CC..SBendtrans-123.14.9-168.2-57.7177.656.600115I49 G50 K51 G147I49-M172 HydrophobicContact CG2-CB 4.33Å; I49-M172 HydrophobicContact CG2-CE 3.78Å; I49-M172 HydrophobicContact CG2-SD 3.89Å; G50-M172 CarbonylContact C-O 3.48Å; G50-M172 VanDerWaalsContact CA-O 3.23Å; G50-M172 WeakPolarHBondContact CA-O 3.49Å; K51-M172 PolarHBondContact N-O 2.9Å; G147-M172 WeakPolarHBondContact O-CA 3.43Å; G147-M172 WeakPolarHBondContact O-CB 3.34Å; G147-M172 VanDerWaalsContact O-CG 3.25Å; G147-M172 WeakPolarHBondContact O-CG 3.31Å
173E98.8Very high98.7Very high8 Ų830.1 Ų30.14%0.03716%0.158CC..SBendtrans-130.7-40.3-171.7-6177.9-139.600115.7A7 I49 G50 A54 E171 T175 A176 I177 R192A7-E173 HydrophobicContact CB-CG 3.8Å; I49-E173 WeakPolarHBondContact CA-OE1 3.37Å; G50-E173 PolarHBondContact N-OE1 3.38Å; A54-E173 HydrophobicContact CB-CB 3.78Å; A54-E173 HydrophobicContact CB-CG 4Å; E171-E173 WeakPolarHBondContact OE2-CA 3.15Å; E171-E173 PolarHBondContact OE2-N 2.92Å; E173-T175 VanDerWaalsContact C-N 3.34Å; E173-T175 PolarHBondContact O-N 2.88Å; E173-A176 WeakPolarHBondContact O-CA 3.46Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 2.73Å; E173-I177 HydrophobicContact CB-CD1 4.16Å; E173-I177 PolarHBondContact O-N 3.28Å; E173-I177 VanDerWaalsContact O-N 3.1Å; E173-R192 IonicContact OE2-CZ 2.59Å; E173-R192 IonicContact OE2-NH1 2.73Å; E173-R192 PolarHBondContact OE2-NH1 2.74Å; E173-R192 IonicContact OE2-NH2 3.94Å; E173-R192 PolarHBondContact OE2-NH2 2.9Å
174A98.9Very high98.7Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-59.6-40.6-157.800000113.1N72 V94 S146 E171 A176 I177 A178 V190N72-A174 WeakPolarHBondContact OD1-CB 3.47Å; V94-A174 HydrophobicContact CG1-CB 4.44Å; S146-A174 PolarHBondContact OG-N 3.24Å; E171-A174 VanDerWaalsContact CD-CB 3.44Å; E171-A174 HydrophobicContact CG-CB 4.45Å; E171-A174 VanDerWaalsContact OE1-CB 3.25Å; E171-A174 WeakPolarHBondContact OE1-CB 3.21Å; E171-A174 PolarHBondContact OE1-N 2.68Å; E171-A174 WeakPolarHBondContact OE2-CB 3.26Å; E171-A174 PolarHBondContact OE2-N 3.07Å; A174-A176 VanDerWaalsContact C-N 3.33Å; A174-A176 PolarHBondContact O-N 2.91Å; A174-I177 PolarHBondContact O-N 3.46Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.48Å; A174-A178 PolarHBondContact O-N 2.79Å; A174-V190 HydrophobicContact CB-CG1 3.9Å; A174-V190 HydrophobicContact CB-CG2 3.88Å
175T98.9Very high98.7Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-67.9-33.2178.3-51.60000111.7V94 K95 Y96 F118 S146 E173 A178 Q179V94-T175 HydrophobicContact CG2-CG2 4.26Å; K95-T175 VanDerWaalsContact C-OG1 3.29Å; K95-T175 PolarHBondContact N-OG1 3.32Å; K95-T175 PolarHBondContact O-OG1 3.09Å; K95-T175 VanDerWaalsContact O-OG1 3.07Å; Y96-T175 HydrophobicContact CD1-CG2 3.73Å; Y96-T175 HydrophobicContact CD2-CG2 3.61Å; Y96-T175 HydrophobicContact CE1-CG2 3.56Å; Y96-T175 HydrophobicContact CE2-CG2 3.47Å; Y96-T175 VanDerWaalsContact CE2-CG2 3.47Å; Y96-T175 HydrophobicContact CG-CG2 3.76Å; Y96-T175 VanDerWaalsContact CZ-CG2 3.46Å; Y96-T175 PolarHBondContact OH-O 2.85Å; F118-T175 HydrophobicContact CD2-CG2 3.73Å; F118-T175 HydrophobicContact CE2-CG2 3.92Å; S146-T175 WeakPolarHBondContact CB-OG1 3.22Å; S146-T175 VanDerWaalsContact OG-CB 3.24Å; S146-T175 WeakPolarHBondContact OG-CB 3.15Å; S146-T175 PolarHBondContact OG-N 2.46Å; S146-T175 PolarHBondContact OG-OG1 2.99Å; E173-T175 VanDerWaalsContact C-N 3.34Å; E173-T175 PolarHBondContact O-N 2.88Å; T175-A178 PolarHBondContact O-N 3.37Å; T175-Q179 VanDerWaalsContact O-CB 3.31Å; T175-Q179 WeakPolarHBondContact O-CB 3.21Å; T175-Q179 PolarHBondContact O-N 2.88Å
176A98.9Very high98.7Very high2 Ų235.7 Ų35.72%0.01717%0.174CC..Hα-helixtrans-71.4-36.3174.800000112.6K51 A54 A55 Y96 E173 A174 T180K51-A176 HydrophobicContact CB-CB 3.89Å; K51-A176 HydrophobicContact CG-CB 4.2Å; K51-A176 VanDerWaalsContact O-CB 3.27Å; K51-A176 WeakPolarHBondContact O-CB 3Å; A54-A176 HydrophobicContact CB-CB 4.21Å; A55-A176 HydrophobicContact CB-CB 4.44Å; Y96-A176 VanDerWaalsContact OH-CA 3.24Å; Y96-A176 WeakPolarHBondContact OH-CA 3.47Å; Y96-A176 PolarHBondContact OH-N 3.44Å; E173-A176 WeakPolarHBondContact O-CA 3.46Å; E173-A176 WeakPolarHBondContact O-CB 3.43Å; E173-A176 PolarHBondContact O-N 2.73Å; A174-A176 VanDerWaalsContact C-N 3.33Å; A174-A176 PolarHBondContact O-N 2.91Å; A176-T180 WeakPolarHBondContact O-CB 3.25Å; A176-T180 PolarHBondContact O-N 2.81Å; A176-T180 PolarHBondContact O-OG1 3.22Å
177I99Very high98.8Very high1 Ų131.7 Ų31.71%0.00516%0.156CC..Hα-helixtrans-61.8-51.6170.3-61.4171000109.3I5 A54 T58 I70 N72 E173 A174 Q179 T180 C181I5-I177 HydrophobicContact CB-CD1 4.13Å; I5-I177 HydrophobicContact CD1-CG2 4Å; I5-I177 HydrophobicContact CG2-CD1 3.67Å; I5-I177 HydrophobicContact CG2-CG1 4.43Å; A54-I177 HydrophobicContact CB-CG1 3.99Å; T58-I177 HydrophobicContact CG2-CG2 4.16Å; I70-I177 HydrophobicContact CG2-CG2 3.91Å; N72-I177 HydrophobicContact CB-CD1 3.89Å; N72-I177 VanDerWaalsContact CG-CD1 3.47Å; N72-I177 VanDerWaalsContact ND2-CD1 3.34Å; N72-I177 WeakPolarHBondContact ND2-CD1 3.41Å; E173-I177 HydrophobicContact CB-CD1 4.16Å; E173-I177 PolarHBondContact O-N 3.28Å; E173-I177 VanDerWaalsContact O-N 3.1Å; A174-I177 PolarHBondContact O-N 3.46Å; I177-Q179 PolarHBondContact O-N 3.02Å; I177-T180 WeakPolarHBondContact O-CB 3.48Å; I177-T180 PolarHBondContact O-N 3.43Å; I177-T180 VanDerWaalsContact O-N 3.12Å; I177-C181 WeakPolarHBondContact O-CB 3.49Å; I177-C181 PolarHBondContact O-N 3.33Å; I177-C181 PolarHBondContact O-SG 2.74Å
178A99Very high98.8Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-60-43.3-179.900000113.2V94 F118 A174 T175 T180 C181 Y182 F188V94-A178 HydrophobicContact CG2-CB 3.31Å; F118-A178 HydrophobicContact CB-CB 3.68Å; F118-A178 HydrophobicContact CG-CB 4.22Å; A174-A178 VanDerWaalsContact O-CB 3.31Å; A174-A178 WeakPolarHBondContact O-CB 3.48Å; A174-A178 PolarHBondContact O-N 2.79Å; T175-A178 PolarHBondContact O-N 3.37Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 3.33Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.31Å; A178-F188 HydrophobicContact CB-CD1 4.4Å; A178-F188 HydrophobicContact CB-CD2 4.13Å; A178-F188 HydrophobicContact CB-CE1 3.77Å; A178-F188 HydrophobicContact CB-CE2 3.48Å; A178-F188 VanDerWaalsContact CB-CE2 3.48Å; A178-F188 HydrophobicContact CB-CZ 3.28Å
179Q98.9Very high98.8Very high46 Ų4632 Ų3222%0.21516%0.157CC..Hα-helixtrans-62.1-41.4174.6-179.6175.7-47.500111.3Y96 M114 F118 T175 I177 Y182 Q183Y96-Q179 VanDerWaalsContact CE2-OE1 3.29Å; Y96-Q179 PolarHBondContact OH-OE1 3.34Å; M114-Q179 HydrophobicContact SD-CG 4.36Å; F118-Q179 HydrophobicContact CD1-CB 4.41Å; F118-Q179 HydrophobicContact CE1-CB 3.82Å; F118-Q179 HydrophobicContact CE1-CG 3.9Å; F118-Q179 HydrophobicContact CE2-CB 3.93Å; F118-Q179 HydrophobicContact CE2-CG 4.39Å; F118-Q179 HydrophobicContact CZ-CB 3.54Å; F118-Q179 HydrophobicContact CZ-CG 3.59Å; T175-Q179 VanDerWaalsContact O-CB 3.31Å; T175-Q179 WeakPolarHBondContact O-CB 3.21Å; T175-Q179 PolarHBondContact O-N 2.88Å; I177-Q179 PolarHBondContact O-N 3.02Å; Q179-Y182 WeakPolarHBondContact O-CB 3.46Å; Q179-Y182 PolarHBondContact O-N 2.94Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.09Å
180T98.9Very high98.8Very high12 Ų1232 Ų327%0.07416%0.157CC..Hα-helixtrans-64.3-47.3176.3-53.50000110.3T58 T59 I62 A176 I177 A178 Y182 Q183 F184T58-T180 HydrophobicContact CG2-CG2 3.61Å; T59-T180 WeakPolarHBondContact OG1-CG2 3.41Å; I62-T180 HydrophobicContact CD1-CG2 4.26Å; A176-T180 WeakPolarHBondContact O-CB 3.25Å; A176-T180 PolarHBondContact O-N 2.81Å; A176-T180 PolarHBondContact O-OG1 3.22Å; I177-T180 WeakPolarHBondContact O-CB 3.48Å; I177-T180 PolarHBondContact O-N 3.43Å; I177-T180 VanDerWaalsContact O-N 3.12Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 3.33Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.36Å; T180-Q183 PolarHBondContact O-N 3.26Å; T180-Q183 VanDerWaalsContact O-N 3.15Å; T180-F184 HydrophobicContact CG2-CD2 3.97Å; T180-F184 HydrophobicContact CG2-CE2 4.11Å; T180-F184 WeakPolarHBondContact O-CD2 3.45Å; T180-F184 PolarHBondContact O-N 2.8Å; T180-F184 VanDerWaalsContact O-N 3.08Å
181C98.9Very high98.8Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-56-42.4174.5-71.20000112.6I70 I177 A178 F184 N185 V186 F188I70-C181 VanDerWaalsContact CD1-SG 3.53Å; I177-C181 WeakPolarHBondContact O-CB 3.49Å; I177-C181 PolarHBondContact O-N 3.33Å; I177-C181 PolarHBondContact O-SG 2.74Å; A178-C181 WeakPolarHBondContact O-CB 3.34Å; A178-C181 PolarHBondContact O-N 3Å; C181-F184 CarbonylContact O-C 3.57Å; C181-F184 PolarHBondContact O-N 2.99Å; C181-N185 WeakPolarHBondContact O-CA 2.86Å; C181-N185 PolarHBondContact O-N 3.21Å; C181-V186 WeakPolarHBondContact CB-O 3.31Å; C181-V186 PolarHBondContact O-N 2.96Å; C181-F188 HydrophobicContact CB-CB 4.14Å; C181-F188 HydrophobicContact CB-CD1 3.71Å; C181-F188 HydrophobicContact CB-CG 4.16Å
182Y98.8Very high98.8Very high117 Ų11731.3 Ų31.346%0.45915%0.153SC..Hα-helixtrans-58.7-47.8175.1175.2-94000111.8P115 F118 A178 Q179 T180 F184 N185P115-Y182 HydrophobicContact CG-CD2 4.16Å; P115-Y182 HydrophobicContact CG-CE1 3.95Å; P115-Y182 HydrophobicContact CG-CE2 3.55Å; P115-Y182 VanDerWaalsContact CG-CZ 3.44Å; F118-Y182 HydrophobicContact CD1-CD2 4.34Å; F118-Y182 AromaticContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CD1-CG 3.97Å; F118-Y182 HydrophobicContact CE1-CD1 4.09Å; F118-Y182 AromaticContact CE1-CG 3.99Å; F118-Y182 HydrophobicContact CE1-CG 3.99Å; A178-Y182 WeakPolarHBondContact O-CB 3.46Å; A178-Y182 PolarHBondContact O-N 3.31Å; Q179-Y182 WeakPolarHBondContact O-CB 3.46Å; Q179-Y182 PolarHBondContact O-N 2.94Å; T180-Y182 VanDerWaalsContact C-N 3.3Å; T180-Y182 PolarHBondContact O-N 3.36Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 2.94Å; Y182-N185 PolarHBondContact O-N 2.88Å
183Q98.7Very high98.8Very high105 Ų10529.4 Ų29.449%0.49114%0.144SC..Hα-helixtrans-64.2-31.9179.5-68.9-72.516.300113.2M114 Q179 T180M114-Q183 VanDerWaalsContact CE-NE2 3.32Å; M114-Q183 PolarHBondContact SD-NE2 2.59Å; Q179-Q183 WeakPolarHBondContact O-CG 3.26Å; Q179-Q183 PolarHBondContact O-N 3.09Å; T180-Q183 PolarHBondContact O-N 3.26Å; T180-Q183 VanDerWaalsContact O-N 3.15Å
184F98.7Very high98.8Very high90 Ų9029 Ų2940%0.39514%0.142SC..Hα-helixtrans-95.30.9179.5-77.9-93.1000113.8T59 I62 T180 C181 Y182 V186T59-F184 HydrophobicContact CG2-CE2 4.2Å; T59-F184 HydrophobicContact CG2-CZ 4Å; I62-F184 HydrophobicContact CB-CD1 4.47Å; I62-F184 HydrophobicContact CD1-CB 3.87Å; I62-F184 HydrophobicContact CD1-CD2 4.23Å; I62-F184 HydrophobicContact CD1-CG 4.07Å; I62-F184 HydrophobicContact CG2-CB 3.95Å; I62-F184 HydrophobicContact CG2-CD1 3.54Å; I62-F184 HydrophobicContact CG2-CE1 4.21Å; I62-F184 HydrophobicContact CG2-CG 3.83Å; T180-F184 HydrophobicContact CG2-CD2 3.97Å; T180-F184 HydrophobicContact CG2-CE2 4.11Å; T180-F184 WeakPolarHBondContact O-CD2 3.45Å; T180-F184 PolarHBondContact O-N 2.8Å; T180-F184 VanDerWaalsContact O-N 3.08Å; C181-F184 CarbonylContact O-C 3.57Å; C181-F184 PolarHBondContact O-N 2.99Å; Y182-F184 VanDerWaalsContact C-N 3.27Å; Y182-F184 PolarHBondContact O-N 2.94Å; F184-V186 VanDerWaalsContact C-N 3.29Å; F184-V186 HydrophobicContact CB-CG2 4.07Å; F184-V186 PolarHBondContact O-N 2.95Å
185N98.5Very high98.6Very high148 Ų14829 Ų2979%0.79114%0.142SC*.THydrogen-bonded Turntrans54.340.2-174.6-56.7-75.8000113.8C181 Y182C181-N185 WeakPolarHBondContact O-CA 2.86Å; C181-N185 PolarHBondContact O-N 3.21Å; Y182-N185 PolarHBondContact O-N 2.88Å
186V98.8Very high98.5Very high18 Ų1829.3 Ų29.311%0.10914%0.144CC..  trans-101.5123.1176.8-179.80000109.3I62 I70 C181 F184I62-V186 HydrophobicContact CD1-CB 4.41Å; I62-V186 HydrophobicContact CD1-CG2 4.05Å; I62-V186 HydrophobicContact CG1-CG2 4.27Å; I62-V186 HydrophobicContact CG2-CG2 4.13Å; I70-V186 HydrophobicContact CD1-CG1 4.01Å; I70-V186 HydrophobicContact CG1-CG1 4.05Å; C181-V186 WeakPolarHBondContact CB-O 3.31Å; C181-V186 PolarHBondContact O-N 2.96Å; F184-V186 VanDerWaalsContact C-N 3.29Å; F184-V186 HydrophobicContact CB-CG2 4.07Å; F184-V186 PolarHBondContact O-N 2.95Å
187P98.8Very high98.1Very high57 Ų5732.7 Ų32.737%0.3716%0.161SC..  trans-59.9138.7174.2-20.730.4000111.6D68 V69 I70 L124D68-P187 WeakPolarHBondContact O-CD 2.95Å; V69-P187 CarbonylContact C-O 3.59Å; V69-P187 VanDerWaalsContact CA-O 3.3Å; V69-P187 WeakPolarHBondContact CA-O 3.46Å; V69-P187 HydrophobicContact CG1-CB 4.2Å; I70-P187 PolarHBondContact N-O 3.05Å; L124-P187 HydrophobicContact CD1-CB 4.47Å
188F98.9Very high97.6Very high9 Ų932.6 Ų32.64%0.03916%0.161CC..EExtended strand (participates in β ladder)trans-135.6162.9177.677-83.7000113I70 V94 F118 Q119 S120 S121 A178 C181 V190I70-F188 HydrophobicContact CB-CB 4.25Å; I70-F188 HydrophobicContact CG2-CB 4.49Å; I70-F188 CarbonylContact O-C 3.5Å; I70-F188 WeakPolarHBondContact O-CA 3.35Å; I70-F188 WeakPolarHBondContact O-CB 3.35Å; V94-F188 HydrophobicContact CG2-CE2 4.44Å; V94-F188 HydrophobicContact CG2-CZ 4.46Å; F118-F188 HydrophobicContact CB-CZ 4.2Å; Q119-F188 WeakPolarHBondContact O-CE1 3.27Å; Q119-F188 WeakPolarHBondContact O-CZ 3.31Å; S120-F188 WeakPolarHBondContact OG-CE2 3.25Å; S121-F188 WeakPolarHBondContact CB-O 3.25Å; S121-F188 PolarHBondContact N-O 2.97Å; A178-F188 HydrophobicContact CB-CD1 4.4Å; A178-F188 HydrophobicContact CB-CD2 4.13Å; A178-F188 HydrophobicContact CB-CE1 3.77Å; A178-F188 HydrophobicContact CB-CE2 3.48Å; A178-F188 VanDerWaalsContact CB-CE2 3.48Å; A178-F188 HydrophobicContact CB-CZ 3.28Å; C181-F188 HydrophobicContact CB-CB 4.14Å; C181-F188 HydrophobicContact CB-CD1 3.71Å; C181-F188 HydrophobicContact CB-CG 4.16Å; F188-V190 HydrophobicContact CD2-CG2 4.21Å; F188-V190 HydrophobicContact CE2-CG2 4.13Å
189V98.9Very high97Very high0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-142.8145164.465.80000109.4I70 I71 N72 I90 L124 I125 V128 V191 L224I70-V189 PolarHBondContact O-N 2.97Å; I71-V189 WeakPolarHBondContact CA-O 2.94Å; I71-V189 HydrophobicContact CG1-CG1 4.17Å; I71-V189 HydrophobicContact CG2-CG1 4.29Å; N72-V189 PolarHBondContact N-O 2.93Å; I90-V189 HydrophobicContact CG2-CG2 4.07Å; L124-V189 HydrophobicContact CB-CB 3.74Å; L124-V189 HydrophobicContact CB-CG1 3.88Å; L124-V189 HydrophobicContact CB-CG2 4.36Å; L124-V189 HydrophobicContact CD1-CB 4.13Å; L124-V189 HydrophobicContact CD1-CG1 4.05Å; I125-V189 HydrophobicContact CG1-CG2 4.33Å; V128-V189 HydrophobicContact CG2-CG1 4.3Å; V128-V189 HydrophobicContact CG2-CG2 4.29Å; V189-V191 HydrophobicContact CG1-CG2 4.18Å; V189-V191 HydrophobicContact CG2-CG2 4.29Å; V189-L224 HydrophobicContact CG1-CD2 4.2Å
190V98.9Very high96.3Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-102.9123.1173.6-177.80000108.3N72 I90 S91 V94 I144 A174 F188 R192N72-V190 HydrophobicContact CB-CG1 4.38Å; N72-V190 HydrophobicContact CB-CG2 4.23Å; N72-V190 WeakPolarHBondContact OD1-CG1 3.38Å; I90-V190 WeakPolarHBondContact CA-O 3.37Å; S91-V190 PolarHBondContact N-O 3.02Å; S91-V190 VanDerWaalsContact OG-CB 3.25Å; S91-V190 WeakPolarHBondContact OG-CB 3.33Å; S91-V190 WeakPolarHBondContact OG-CG2 3.36Å; V94-V190 HydrophobicContact CG1-CG2 4.02Å; I144-V190 HydrophobicContact CD1-CG1 4Å; A174-V190 HydrophobicContact CB-CG1 3.9Å; A174-V190 HydrophobicContact CB-CG2 3.88Å; F188-V190 HydrophobicContact CD2-CG2 4.21Å; F188-V190 HydrophobicContact CE2-CG2 4.13Å; V190-R192 HydrophobicContact CG1-CG 3.82Å
191V98.7Very high95.7Very high0 Ų040.6 Ų40.60%021%0.214CC..EExtended strand (participates in β ladder)trans-125.899178.5-176.90000107.9I71 N72 T73 V88 L89 V128 V189 T220 V221I71-V191 HydrophobicContact CG2-CG2 4.29Å; N72-V191 CarbonylContact O-C 3.52Å; N72-V191 PolarHBondContact O-N 3.21Å; T73-V191 VanDerWaalsContact CA-O 3.29Å; T73-V191 WeakPolarHBondContact CA-O 3.48Å; V88-V191 HydrophobicContact CG1-CG1 4.11Å; L89-V191 CarbonylContact O-C 3.6Å; L89-V191 VanDerWaalsContact O-CA 3.3Å; L89-V191 WeakPolarHBondContact O-CA 3.36Å; V128-V191 HydrophobicContact CG1-CG1 4.35Å; V128-V191 HydrophobicContact CG1-CG2 3.89Å; V128-V191 HydrophobicContact CG2-CG2 3.8Å; V189-V191 HydrophobicContact CG1-CG2 4.18Å; V189-V191 HydrophobicContact CG2-CG2 4.29Å; V191-T220 HydrophobicContact CG1-CG2 3.69Å; V191-V221 HydrophobicContact CB-CG2 4.06Å; V191-V221 HydrophobicContact CG1-CG2 4.11Å
192R98.6Very high95.2Very high4 Ų440.6 Ų40.62%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-117.5172.3178.8-62.2-170.295.9133.80.2110.7E11 N72 G74 S75 A76 V88 L89 E171 E173 V190E11-R192 IonicContact OE1-NH2 3.7Å; E11-R192 PolarHBondContact OE1-NH2 3.34Å; N72-R192 PolarHBondContact OD1-NH1 3.38Å; G74-R192 CarbonylContact O-C 3.57Å; G74-R192 WeakPolarHBondContact O-CA 3.18Å; G74-R192 VanDerWaalsContact O-CB 3.27Å; G74-R192 WeakPolarHBondContact O-CB 3.4Å; S75-R192 VanDerWaalsContact O-CZ 3.28Å; S75-R192 PolarHBondContact O-NE 2.75Å; S75-R192 PolarHBondContact O-NH2 2.78Å; A76-R192 HydrophobicContact CB-CB 4.26Å; V88-R192 CarbonylContact C-O 3.49Å; L89-R192 HydrophobicContact CB-CB 4.49Å; L89-R192 PolarHBondContact N-O 2.91Å; L89-R192 PolarHBondContact O-N 3.02Å; E171-R192 IonicContact OE2-CZ 2.74Å; E171-R192 IonicContact OE2-NH1 3.76Å; E171-R192 PolarHBondContact OE2-NH1 2.75Å; E173-R192 IonicContact OE2-CZ 2.59Å; E173-R192 IonicContact OE2-NH1 2.73Å; E173-R192 PolarHBondContact OE2-NH1 2.74Å; E173-R192 IonicContact OE2-NH2 3.94Å; E173-R192 PolarHBondContact OE2-NH2 2.9Å; V190-R192 HydrophobicContact CG1-CG 3.82Å
193A98.3Very high94.7Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-130.2151.1169.900000111G74 S75 A76 D87 S195 A213G74-A193 PolarHBondContact O-N 3.48Å; S75-A193 CarbonylContact C-O 3.6Å; S75-A193 WeakPolarHBondContact CA-O 3.47Å; A76-A193 PolarHBondContact N-O 3.05Å; D87-A193 CarbonylContact O-C 3.55Å; D87-A193 VanDerWaalsContact O-CA 3.25Å; D87-A193 WeakPolarHBondContact O-CA 3.26Å; A193-S195 PolarHBondContact O-N 3.28Å; A193-A213 HydrophobicContact CB-CB 4.04Å; A193-A213 WeakPolarHBondContact CB-O 3.36Å
194V98.1Very high94.1Very high0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-68.5122.6-177.4178.70000110.9A76 A78 L83 N84 V85 G86 D87 L89 D196A76-V194 WeakPolarHBondContact O-CA 3.38Å; A78-V194 HydrophobicContact CB-CG1 3.7Å; A78-V194 HydrophobicContact CB-CG2 4.13Å; L83-V194 HydrophobicContact CB-CG2 4.2Å; L83-V194 HydrophobicContact CD1-CG2 4.4Å; N84-V194 WeakPolarHBondContact O-CB 3.45Å; V85-V194 WeakPolarHBondContact CA-O 3.33Å; V85-V194 HydrophobicContact CG2-CG1 4.44Å; G86-V194 PolarHBondContact N-O 3.04Å; D87-V194 HydrophobicContact CB-CG2 4.27Å; D87-V194 PolarHBondContact O-N 2.98Å; L89-V194 HydrophobicContact CD1-CG2 3.92Å; L89-V194 HydrophobicContact CD2-CG2 4.08Å; L89-V194 HydrophobicContact CG-CG2 4.11Å; V194-D196 WeakPolarHBondContact CG1-O 3.27Å
195S96.1Very high93.6Very high1 Ų139 Ų391%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-97.7-37.1171.441.20000112.9S75 A76 A193 F209S75-S195 WeakPolarHBondContact CB-OG 3.49Å; S75-S195 PolarHBondContact OG-OG 2.97Å; A76-S195 PolarHBondContact O-N 3.43Å; A76-S195 PolarHBondContact O-OG 3.18Å; A193-S195 PolarHBondContact O-N 3.28Å; S195-F209 WeakPolarHBondContact O-CB 3.49Å
196D95.2Very high93.2Very high6 Ų634.2 Ų34.23%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-147.5171.4-170.664.690.3000110.4G77 A78 V194 A198 A202 S205 F206G77-D196 CarbonylContact C-O 3.54Å; G77-D196 WeakPolarHBondContact CA-O 3.48Å; G77-D196 VanDerWaalsContact CA-OD1 3.26Å; G77-D196 WeakPolarHBondContact CA-OD1 3.24Å; G77-D196 WeakPolarHBondContact CA-OD2 3.33Å; A78-D196 PolarHBondContact N-O 3.15Å; V194-D196 WeakPolarHBondContact CG1-O 3.27Å; D196-A198 WeakPolarHBondContact OD1-CA 3.33Å; D196-A198 PolarHBondContact OD1-N 3.46Å; D196-A202 HydrophobicContact CB-CB 4.21Å; D196-S205 VanDerWaalsContact CB-OG 3.27Å; D196-S205 WeakPolarHBondContact CB-OG 3.31Å; D196-F206 HydrophobicContact CB-CB 4.29Å
197L91.1Very high92.8Very high72 Ų7240.4 Ų40.438%0.37722%0.216SC..  trans-101.516.8-178.3-57.7-177.1000112.9A78 R157 N199A78-L197 HydrophobicContact CB-CD2 4.19Å; A78-L197 CarbonylContact O-C 3.57Å; R157-L197 PolarHBondContact NH1-O 3.22Å; L197-N199 PolarHBondContact O-N 3Å; L197-N199 VanDerWaalsContact O-N 3.08Å
198A89.3Confident92.4Very high0 Ų041 Ų410%023%0.225CC..SBendtrans42.947.8-179.800000112.6L79 I151 R157 V170 D196L79-A198 HydrophobicContact CD2-CB 4.08Å; I151-A198 HydrophobicContact CB-CB 4.28Å; I151-A198 HydrophobicContact CG2-CB 4Å; I151-A198 CarbonylContact O-C 3.43Å; I151-A198 VanDerWaalsContact O-CA 3.29Å; I151-A198 WeakPolarHBondContact O-CA 3.38Å; R157-A198 WeakPolarHBondContact CB-O 3.11Å; R157-A198 WeakPolarHBondContact CD-O 3.39Å; V170-A198 HydrophobicContact CG1-CB 3.97Å; D196-A198 WeakPolarHBondContact OD1-CA 3.33Å; D196-A198 PolarHBondContact OD1-N 3.46Å
199N86.6Confident92.2Very high41 Ų4144.4 Ų44.422%0.21924%0.241CC..SBendtrans-131.5-170.8-17669.73.9000109.8G152 L197 E201 A202G152-N199 CarbonylContact C-O 3.1Å; G152-N199 WeakPolarHBondContact CA-O 3.15Å; G152-N199 CarbonylContact O-C 3.5Å; L197-N199 PolarHBondContact O-N 3Å; L197-N199 VanDerWaalsContact O-N 3.08Å; N199-E201 PolarHBondContact O-N 3.1Å; N199-E201 PolarHBondContact OD1-N 2.91Å; N199-A202 VanDerWaalsContact O-CB 3.26Å; N199-A202 WeakPolarHBondContact O-CB 3.31Å; N199-A202 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact OD1-N 3.3Å
200G83.2Confident92Very high58 Ų5845 Ų4560%0.59824%0.244SC*.THydrogen-bonded Turntrans-59.4-9.1-179.400000116.3G152G152-G200 WeakPolarHBondContact O-CA 3.33Å
201E86.8Confident91.8Very high127 Ų12752.3 Ų52.359%0.59328%0.278SS*.THydrogen-bonded Turntrans-115.312.4178.5-60.6179.5176.500111.9N199 E203 M204 S205N199-E201 PolarHBondContact O-N 3.1Å; N199-E201 PolarHBondContact OD1-N 2.91Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 2.85Å; E201-M204 HydrophobicContact CB-CE 4.17Å; E201-M204 HydrophobicContact CG-CE 4.11Å; E201-M204 PolarHBondContact O-N 3.34Å; E201-S205 PolarHBondContact O-N 3.23Å; E201-S205 PolarHBondContact O-OG 2.88Å
202A88.5Confident91.6Very high0 Ų057.8 Ų57.80%030%0.302CS..Hα-helixtrans-60.9-39.1-172.800000112.8F150 D196 N199 S205 F206F150-A202 HydrophobicContact CE1-CB 3.76Å; F150-A202 HydrophobicContact CZ-CB 3.62Å; D196-A202 HydrophobicContact CB-CB 4.21Å; N199-A202 VanDerWaalsContact O-CB 3.26Å; N199-A202 WeakPolarHBondContact O-CB 3.31Å; N199-A202 PolarHBondContact O-N 3.46Å; N199-A202 PolarHBondContact OD1-N 3.3Å; A202-S205 VanDerWaalsContact CA-OG 3.3Å; A202-S205 WeakPolarHBondContact CA-OG 3.42Å; A202-S205 PolarHBondContact O-N 2.8Å; A202-S205 PolarHBondContact O-OG 2.98Å; A202-S205 VanDerWaalsContact O-OG 3.13Å; A202-F206 WeakPolarHBondContact O-CB 3.48Å; A202-F206 PolarHBondContact O-N 2.92Å
203E87.2Confident91.4Very high134 Ų13457.6 Ų57.663%0.62630%0.301SS*.Hα-helixtrans-62.8-50.2-179-174.6176.3-173.900111.3F150 E201 S205 F206 E207F150-E203 HydrophobicContact CE1-CB 4.19Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 2.85Å; E203-S205 PolarHBondContact O-N 3.5Å; E203-F206 PolarHBondContact O-N 3.06Å; E203-E207 PolarHBondContact O-N 3.47Å
204M86.6Confident91.3Very high125 Ų12557.7 Ų57.762%0.61630%0.301SS*.Hα-helixtrans-63.8-41.7177.9-67.4-175.4-68.500112.2E201 A208E201-M204 HydrophobicContact CB-CE 4.17Å; E201-M204 HydrophobicContact CG-CE 4.11Å; E201-M204 PolarHBondContact O-N 3.34Å; M204-A208 VanDerWaalsContact O-CB 3.29Å; M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.26Å; M204-A208 VanDerWaalsContact O-N 3.07Å
205S88.5Confident91.2Very high20 Ų2060.6 Ų60.614%0.1432%0.319CS..Hα-helixtrans-69.9-38.6178.749.50000112D196 E201 A202 E203 A208 F209D196-S205 VanDerWaalsContact CB-OG 3.27Å; D196-S205 WeakPolarHBondContact CB-OG 3.31Å; E201-S205 PolarHBondContact O-N 3.23Å; E201-S205 PolarHBondContact O-OG 2.88Å; A202-S205 VanDerWaalsContact CA-OG 3.3Å; A202-S205 WeakPolarHBondContact CA-OG 3.42Å; A202-S205 PolarHBondContact O-N 2.8Å; A202-S205 PolarHBondContact O-OG 2.98Å; A202-S205 VanDerWaalsContact O-OG 3.13Å; E203-S205 PolarHBondContact O-N 3.5Å; S205-A208 PolarHBondContact O-N 2.9Å; S205-F209 WeakPolarHBondContact O-CB 3.18Å; S205-F209 WeakPolarHBondContact O-CD2 3.44Å; S205-F209 PolarHBondContact O-N 3.38Å
206F89.8Confident91.2Very high46 Ų4661.1 Ų61.120%0.20232%0.323CS..Hα-helixtrans-57.7-53.3173.9173.2-98.3000111.2M8 F150 D196 A202 E203 A208 F209 L210M8-F206 HydrophobicContact CE-CZ 4.19Å; M8-F206 HydrophobicContact SD-CZ 3.81Å; F150-F206 HydrophobicContact CE2-CB 4.38Å; F150-F206 HydrophobicContact CE2-CG 4.37Å; F150-F206 HydrophobicContact CZ-CB 4.27Å; D196-F206 HydrophobicContact CB-CB 4.29Å; A202-F206 WeakPolarHBondContact O-CB 3.48Å; A202-F206 PolarHBondContact O-N 2.92Å; E203-F206 PolarHBondContact O-N 3.06Å; F206-A208 VanDerWaalsContact C-N 3.29Å; F206-A208 PolarHBondContact O-N 2.79Å; F206-F209 PolarHBondContact O-N 2.82Å; F206-L210 HydrophobicContact CE1-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CD1 3.9Å; F206-L210 HydrophobicContact CZ-CD1 4.03Å; F206-L210 HydrophobicContact CZ-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CG 4.41Å; F206-L210 VanDerWaalsContact O-CB 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.46Å; F206-L210 PolarHBondContact O-N 3.5Å
207E89.9Confident91.3Very high148 Ų14860.8 Ų60.869%0.69232%0.321SS*.Hα-helixtrans-59.1-40.7177.6-71-173.8164.500112E203 F209E203-E207 PolarHBondContact O-N 3.47Å; E207-F209 PolarHBondContact O-N 2.93Å
208A92.1Very high91.6Very high70 Ų7057.4 Ų57.458%0.57930%0.303SS*.Hα-helixtrans-70.8-27.3-17900000114M204 S205 F206M204-A208 VanDerWaalsContact O-CB 3.29Å; M204-A208 WeakPolarHBondContact O-CB 3.25Å; M204-A208 PolarHBondContact O-N 3.26Å; M204-A208 VanDerWaalsContact O-N 3.07Å; S205-A208 PolarHBondContact O-N 2.9Å; F206-A208 VanDerWaalsContact C-N 3.29Å; F206-A208 PolarHBondContact O-N 2.79Å
209F94.4Very high91.9Very high81 Ų8161.5 Ų61.536%0.35532%0.322SS..Hα-helixtrans-125.40.7-167.7-59.9-59.2000115.4V85 S195 S205 F206 E207 E211 K212 A213V85-F209 HydrophobicContact CG1-CB 3.49Å; V85-F209 VanDerWaalsContact CG1-CB 3.49Å; V85-F209 HydrophobicContact CG1-CD1 3.83Å; V85-F209 HydrophobicContact CG1-CD2 3.9Å; V85-F209 HydrophobicContact CG1-CG 3.48Å; V85-F209 VanDerWaalsContact CG1-CG 3.48Å; V85-F209 HydrophobicContact CG2-CD2 3.97Å; V85-F209 HydrophobicContact CG2-CE2 4.34Å; V85-F209 HydrophobicContact CG2-CG 4.42Å; S195-F209 WeakPolarHBondContact O-CB 3.49Å; S205-F209 WeakPolarHBondContact O-CB 3.18Å; S205-F209 WeakPolarHBondContact O-CD2 3.44Å; S205-F209 PolarHBondContact O-N 3.38Å; F206-F209 PolarHBondContact O-N 2.82Å; E207-F209 PolarHBondContact O-N 2.93Å; F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 3.22Å; F209-K212 WeakPolarHBondContact O-CB 3.33Å; F209-K212 PolarHBondContact O-N 3.29Å; F209-K212 VanDerWaalsContact O-N 3.09Å; F209-A213 PolarHBondContact O-N 3.11Å
210L94.6Very high92.4Very high13 Ų1359.5 Ų59.57%0.06831%0.312CS..Hα-helixtrans-52.2-48.5175.6175.160.4000111.6M8 E10 F206 K212 A213 A214M8-L210 HydrophobicContact CE-CD2 3.63Å; M8-L210 HydrophobicContact SD-CD2 4.2Å; E10-L210 HydrophobicContact CB-CD2 4.19Å; E10-L210 HydrophobicContact CB-CG 4.34Å; E10-L210 HydrophobicContact CG-CD2 4.05Å; F206-L210 HydrophobicContact CE1-CD2 4.32Å; F206-L210 HydrophobicContact CE2-CD1 3.9Å; F206-L210 HydrophobicContact CZ-CD1 4.03Å; F206-L210 HydrophobicContact CZ-CD2 3.95Å; F206-L210 HydrophobicContact CZ-CG 4.41Å; F206-L210 VanDerWaalsContact O-CB 3.31Å; F206-L210 WeakPolarHBondContact O-CB 3.46Å; F206-L210 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.35Å; L210-A213 PolarHBondContact O-N 2.63Å; L210-A214 WeakPolarHBondContact O-CB 3.29Å; L210-A214 PolarHBondContact O-N 3.45Å
211E93.8Very high93.2Very high152 Ų15256.8 Ų56.871%0.7128%0.283SS*.Hα-helixtrans-60.4-41.6179.1-68-171.2172.300112F209 A214 V215F209-E211 VanDerWaalsContact C-N 3.31Å; F209-E211 PolarHBondContact O-N 3.22Å; E211-A214 PolarHBondContact O-N 3.47Å; E211-V215 VanDerWaalsContact O-CG2 3.31Å; E211-V215 WeakPolarHBondContact O-CG2 3.26Å; E211-V215 PolarHBondContact O-N 2.78Å
212K94Very high93.7Very high116 Ų11652.1 Ų52.150%0.50426%0.261SS..Hα-helixtrans-63.9-43.2178-175.2-178175.5-158.80111.1V85 F209 L210 V215 S216V85-K212 HydrophobicContact CG1-CD 4.19Å; V85-K212 PolarHBondContact O-NZ 3.48Å; F209-K212 WeakPolarHBondContact O-CB 3.33Å; F209-K212 PolarHBondContact O-N 3.29Å; F209-K212 VanDerWaalsContact O-N 3.09Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.35Å; K212-V215 PolarHBondContact O-N 3.09Å; K212-S216 PolarHBondContact O-N 3.26Å; K212-S216 VanDerWaalsContact O-N 3.07Å
213A95.4Very high94.1Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-65.5-42.1175.800000111.7A193 F209 L210 V215 S216 S217A193-A213 HydrophobicContact CB-CB 4.04Å; A193-A213 WeakPolarHBondContact CB-O 3.36Å; F209-A213 PolarHBondContact O-N 3.11Å; L210-A213 PolarHBondContact O-N 2.63Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.22Å; A213-S216 PolarHBondContact O-N 2.85Å; A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.46Å
214A96.1Very high94.7Very high1 Ų146.7 Ų46.71%0.00824%0.24CC..Hα-helixtrans-61-41.317600000111.7I14 L210 E211 S217 S218I14-A214 HydrophobicContact CD1-CB 3.96Å; L210-A214 WeakPolarHBondContact O-CB 3.29Å; L210-A214 PolarHBondContact O-N 3.45Å; E211-A214 PolarHBondContact O-N 3.47Å; A214-S217 PolarHBondContact O-OG 2.83Å; A214-S218 WeakPolarHBondContact O-CB 3.3Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 2.79Å
215V96Very high95.2Very high61 Ų6140.7 Ų40.737%0.3721%0.21SC..Hα-helixtrans-62.5-49.9174.3170.60000111.3I14 E211 K212 A213 S218 Q219I14-V215 HydrophobicContact CD1-CB 4.37Å; I14-V215 HydrophobicContact CD1-CG2 3.74Å; E211-V215 VanDerWaalsContact O-CG2 3.31Å; E211-V215 WeakPolarHBondContact O-CG2 3.26Å; E211-V215 PolarHBondContact O-N 2.78Å; K212-V215 PolarHBondContact O-N 3.09Å; A213-V215 VanDerWaalsContact C-N 3.34Å; A213-V215 PolarHBondContact O-N 3.22Å; V215-S218 PolarHBondContact O-N 3.38Å; V215-Q219 HydrophobicContact CG1-CG 4.29Å; V215-Q219 WeakPolarHBondContact O-CB 3.27Å; V215-Q219 VanDerWaalsContact O-CG 3.26Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 3.47Å
216S95.8Very high95.5Very high12 Ų1242.8 Ų42.88%0.08423%0.225CC..Hα-helixtrans-61.2-49.1-177.4-174.10000112.2G86 V88 K212 A213 T220G86-S216 PolarHBondContact O-OG 3.39Å; V88-S216 WeakPolarHBondContact CG2-OG 3.45Å; K212-S216 PolarHBondContact O-N 3.26Å; K212-S216 VanDerWaalsContact O-N 3.07Å; A213-S216 PolarHBondContact O-N 2.85Å; S216-T220 PolarHBondContact O-N 3.06Å; S216-T220 PolarHBondContact O-OG1 3.07Å
217S97.4Very high95.7Very high0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-64-46.2176.6560000111.8G74 A213 A214 Q219 T220 V221G74-S217 PolarHBondContact O-OG 3.3Å; A213-S217 PolarHBondContact O-N 2.87Å; A213-S217 PolarHBondContact O-OG 3.46Å; A214-S217 PolarHBondContact O-OG 2.83Å; S217-Q219 PolarHBondContact O-N 3.45Å; S217-T220 WeakPolarHBondContact O-CB 3.4Å; S217-T220 PolarHBondContact O-N 3.33Å; S217-V221 WeakPolarHBondContact O-CG2 3.48Å; S217-V221 PolarHBondContact O-N 3.28Å
218S97Very high96Very high0 Ų038.2 Ų38.20%021%0.205CC..Hα-helixtrans-62.6-39.4179.2-66.20000113.2L15 A214 V215 T220 V221 E222L15-S218 WeakPolarHBondContact CD2-O 3.3Å; A214-S218 WeakPolarHBondContact O-CB 3.3Å; A214-S218 PolarHBondContact O-N 3.06Å; A214-S218 PolarHBondContact O-OG 2.79Å; V215-S218 PolarHBondContact O-N 3.38Å; S218-T220 VanDerWaalsContact C-N 3.33Å; S218-V221 PolarHBondContact O-N 2.99Å; S218-E222 WeakPolarHBondContact O-CB 3.29Å; S218-E222 PolarHBondContact O-N 3.46Å
219Q96.4Very high96.2Very high86 Ų8636.6 Ų36.640%0.40219%0.187SC..Hα-helixtrans-64.9-39176.4-76.4176.4-7.700111.9Q135 V215 S217 A223Q135-Q219 PolarHBondContact NE2-O 3.02Å; V215-Q219 HydrophobicContact CG1-CG 4.29Å; V215-Q219 WeakPolarHBondContact O-CB 3.27Å; V215-Q219 VanDerWaalsContact O-CG 3.26Å; V215-Q219 WeakPolarHBondContact O-CG 3.29Å; V215-Q219 PolarHBondContact O-N 3.47Å; S217-Q219 PolarHBondContact O-N 3.45Å; Q219-A223 WeakPolarHBondContact O-CB 3.1Å; Q219-A223 PolarHBondContact O-N 3.08Å; Q219-A223 VanDerWaalsContact O-N 3.16Å
220T97.8Very high96.2Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-65.8-45.9175.1-56.40000110.6V88 V128 V131 V132 V191 S216 S217 S218 A223 L224V88-T220 HydrophobicContact CG1-CG2 4.22Å; V128-T220 HydrophobicContact CG1-CG2 3.85Å; V131-T220 HydrophobicContact CG1-CG2 4.04Å; V132-T220 HydrophobicContact CG1-CG2 3.74Å; V191-T220 HydrophobicContact CG1-CG2 3.69Å; S216-T220 PolarHBondContact O-N 3.06Å; S216-T220 PolarHBondContact O-OG1 3.07Å; S217-T220 WeakPolarHBondContact O-CB 3.4Å; S217-T220 PolarHBondContact O-N 3.33Å; S218-T220 VanDerWaalsContact C-N 3.33Å; T220-A223 PolarHBondContact O-N 3.13Å; T220-L224 WeakPolarHBondContact O-CB 3.21Å; T220-L224 PolarHBondContact O-N 3.22Å
221V98.5Very high96.3Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-65.5-41.9179.7171.50000111.9I4 L15 I71 V191 S217 S218 A223 L224 V225I4-V221 HydrophobicContact CD1-CG1 3.86Å; I4-V221 HydrophobicContact CG1-CG1 4.32Å; I4-V221 HydrophobicContact CG2-CG1 4.14Å; L15-V221 HydrophobicContact CD1-CB 4.16Å; L15-V221 HydrophobicContact CD1-CG1 3.73Å; I71-V221 HydrophobicContact CD1-CG1 4.4Å; I71-V221 HydrophobicContact CG2-CG1 4.06Å; I71-V221 HydrophobicContact CG2-CG2 3.73Å; V191-V221 HydrophobicContact CB-CG2 4.06Å; V191-V221 HydrophobicContact CG1-CG2 4.11Å; S217-V221 WeakPolarHBondContact O-CG2 3.48Å; S217-V221 PolarHBondContact O-N 3.28Å; S218-V221 PolarHBondContact O-N 2.99Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.76Å; V221-L224 WeakPolarHBondContact O-CB 3.32Å; V221-L224 PolarHBondContact O-N 2.67Å; V221-V225 HydrophobicContact CG1-CG2 4.48Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.31Å
222E98.1Very high96.5Very high29 Ų2928.6 Ų28.614%0.13615%0.153CC..Hα-helixtrans-59.8-43.7175.5-178.9-173.2178.600111.6L15 K18 L37 K38 S218 V225 S226L15-E222 HydrophobicContact CD2-CB 3.9Å; K18-E222 WeakPolarHBondContact CD-OE2 3.47Å; K18-E222 IonicContact NZ-OE1 2.75Å; K18-E222 IonicContact NZ-OE2 3.75Å; K18-E222 PolarHBondContact NZ-OE2 3.29Å; L37-E222 HydrophobicContact CD1-CG 4.4Å; K38-E222 HydrophobicContact CD-CG 4.49Å; K38-E222 VanDerWaalsContact CE-CG 3.42Å; K38-E222 WeakPolarHBondContact CE-OE1 3.48Å; K38-E222 HydrophobicContact CG-CG 4.17Å; K38-E222 IonicContact NZ-OE1 2.77Å; K38-E222 PolarHBondContact NZ-OE1 2.77Å; S218-E222 WeakPolarHBondContact O-CB 3.29Å; S218-E222 PolarHBondContact O-N 3.46Å; E222-V225 PolarHBondContact O-N 3.44Å; E222-S226 PolarHBondContact O-N 2.98Å
223A97.8Very high96.6Very high20 Ų2023.1 Ų23.117%0.16513%0.131CC..Hα-helixtrans-68.8-37176.900000111.9V131 Q135 Q219 T220 V221 V225 S226V131-A223 HydrophobicContact CB-CB 4.5Å; V131-A223 HydrophobicContact CG1-CB 3.43Å; V131-A223 VanDerWaalsContact CG1-CB 3.43Å; V131-A223 HydrophobicContact CG2-CB 4.25Å; Q135-A223 VanDerWaalsContact NE2-CB 3.28Å; Q219-A223 WeakPolarHBondContact O-CB 3.1Å; Q219-A223 PolarHBondContact O-N 3.08Å; Q219-A223 VanDerWaalsContact O-N 3.16Å; T220-A223 PolarHBondContact O-N 3.13Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 2.76Å; A223-V225 PolarHBondContact O-N 2.93Å; A223-S226 PolarHBondContact O-N 3.43Å; A223-S226 PolarHBondContact O-OG 2.66Å
224L98.1Very high96.7Very high0 Ų024.7 Ų24.70%014%0.14CC..Hα-helixtrans-59.5-45.6172.4178.564.7000111.6I71 K127 V128 V131 V189 T220 V221 S226 Q227 L228I71-L224 HydrophobicContact CD1-CD2 3.69Å; I71-L224 HydrophobicContact CD1-CG 4.37Å; I71-L224 HydrophobicContact CG1-CD2 3.92Å; I71-L224 HydrophobicContact CG2-CD2 4.32Å; K127-L224 HydrophobicContact CB-CD1 3.58Å; V128-L224 HydrophobicContact CG2-CD1 3.72Å; V128-L224 HydrophobicContact CG2-CD2 3.46Å; V128-L224 VanDerWaalsContact CG2-CD2 3.46Å; V128-L224 HydrophobicContact CG2-CG 4.1Å; V131-L224 HydrophobicContact CG2-CB 4.45Å; V189-L224 HydrophobicContact CG1-CD2 4.2Å; T220-L224 WeakPolarHBondContact O-CB 3.21Å; T220-L224 PolarHBondContact O-N 3.22Å; V221-L224 WeakPolarHBondContact O-CB 3.32Å; V221-L224 PolarHBondContact O-N 2.67Å; L224-S226 PolarHBondContact O-N 2.86Å; L224-Q227 WeakPolarHBondContact O-CA 3.49Å; L224-Q227 PolarHBondContact O-N 3.45Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4.2Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.02Å; L224-L228 VanDerWaalsContact O-N 3.14Å
225V98.4Very high96.8Very high0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-56.2-37.2178.7169.20000111.4I2 I4 L37 K38 R40 V42 I71 V221 E222 A223 Q227 L228I2-V225 HydrophobicContact CD1-CB 4.45Å; I2-V225 HydrophobicContact CD1-CG1 3.99Å; I2-V225 HydrophobicContact CD1-CG2 4.31Å; I2-V225 HydrophobicContact CG2-CG2 4.5Å; I4-V225 HydrophobicContact CD1-CG2 3.97Å; L37-V225 HydrophobicContact CB-CG1 4.26Å; L37-V225 HydrophobicContact CD2-CB 4.41Å; L37-V225 HydrophobicContact CD2-CG1 4.28Å; L37-V225 HydrophobicContact CD2-CG2 4.23Å; L37-V225 HydrophobicContact CG-CG1 4.23Å; L37-V225 WeakPolarHBondContact O-CG1 3.32Å; K38-V225 HydrophobicContact CB-CG1 4.35Å; R40-V225 HydrophobicContact CB-CG1 3.91Å; R40-V225 HydrophobicContact CG-CG1 4.12Å; R40-V225 WeakPolarHBondContact CG-O 3.43Å; V42-V225 HydrophobicContact CG1-CG1 4.01Å; I71-V225 HydrophobicContact CD1-CG2 4.28Å; V221-V225 HydrophobicContact CG1-CG2 4.48Å; V221-V225 VanDerWaalsContact O-CG2 3.3Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.31Å; E222-V225 PolarHBondContact O-N 3.44Å; A223-V225 PolarHBondContact O-N 2.93Å; V225-Q227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 3.39Å
226S95.2Very high96.8Very high64 Ų6423.7 Ų23.745%0.44813%0.132SC..Hα-helixtrans-67.5-19.2176.575.60000114.6E222 A223 L224E222-S226 PolarHBondContact O-N 2.98Å; A223-S226 PolarHBondContact O-N 3.43Å; A223-S226 PolarHBondContact O-OG 2.66Å; L224-S226 PolarHBondContact O-N 2.86Å
227Q93.7Very high96.9Very high48 Ų4824.7 Ų24.722%0.22414%0.136CC..Hα-helixtrans-101.7-8.3179.8-62.2-170.16.600113.6K127 V131 Q134 L224 V225K127-Q227 PolarHBondContact NZ-O 2.95Å; V131-Q227 VanDerWaalsContact CG2-CD 3.49Å; V131-Q227 HydrophobicContact CG2-CG 4.3Å; Q134-Q227 VanDerWaalsContact OE1-NE2 3.1Å; L224-Q227 WeakPolarHBondContact O-CA 3.49Å; L224-Q227 PolarHBondContact O-N 3.45Å; V225-Q227 PolarHBondContact O-N 2.99Å
228L94.6Very high96.9Very high49 Ų4926.9 Ų26.926%0.25715%0.148SC..  trans-82.80172.2-66.9-179.8000110.3I2 R40 V69 I71 L124 K127 L224 V225I2-L228 HydrophobicContact CD1-CB 3.79Å; I2-L228 HydrophobicContact CD1-CD1 3.77Å; I2-L228 HydrophobicContact CD1-CG 4.42Å; I2-L228 HydrophobicContact CG1-CD1 4.09Å; I2-L228 HydrophobicContact CG2-CD1 4.35Å; R40-L228 PolarHBondContact NE-O 3.08Å; R40-L228 PolarHBondContact NH2-O 3.4Å; R40-L228 PolarHBondContact NH2-OXT 2.82Å; V69-L228 HydrophobicContact CG2-CD1 3.94Å; I71-L228 HydrophobicContact CD1-CD1 3.99Å; L124-L228 HydrophobicContact CD2-CD1 4.47Å; L124-L228 HydrophobicContact CD2-CD2 3.54Å; K127-L228 HydrophobicContact CD-CD2 3.61Å; L224-L228 HydrophobicContact CD1-CD2 4.46Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4.2Å; L224-L228 HydrophobicContact CG-CG 4.31Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.02Å; L224-L228 VanDerWaalsContact O-N 3.14Å; V225-L228 PolarHBondContact O-N 3.39Å

Retrieved 228 of 228 residues in 686.9 ms (Link to these results)

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