X5J4E5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 97 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
1S97.3Very high94.3Very high108 Ų10869.2 Ų69.276%0.75544%0.441SS*.  0168.4049.60000109L59S1-L59 CarbonylContact C-O 3.51Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å
2C97.9Very high94.3Very high21 Ų2166.8 Ų66.814%0.14242%0.418CS..EExtended strand (participates in β ladder)trans-141.8115.4174.9164.50000109.1W16 T58 L59 C76C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 3.98Å; C2-T58 CarbonylContact O-C 3.39Å; C2-T58 WeakPolarHBondContact O-CA 3.32Å; C2-L59 HydrophobicContact CB-CB 4.48Å; C2-L59 PolarHBondContact N-O 2.91Å; C2-L59 PolarHBondContact O-N 3.13Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.39Å; C2-C76 WeakPolarHBondContact SG-CB 3.48Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.09Å
3A97.6Very high94.4Very high77 Ų7768.2 Ų68.264%0.63641%0.41SS*.EExtended strand (participates in β ladder)trans-87.1128174.800000109.4
4A95.5Very high94.6Very high17 Ų1763.6 Ų63.614%0.1438%0.382CS..  trans-93.9145.717800000111.2F7 F9 N57A4-F7 HydrophobicContact CB-CE1 3.81Å; A4-F7 HydrophobicContact CB-CE2 4.42Å; A4-F7 HydrophobicContact CB-CZ 3.6Å; A4-F9 HydrophobicContact CB-CB 4.21Å; A4-F9 HydrophobicContact CB-CD2 3.48Å; A4-F9 VanDerWaalsContact CB-CD2 3.48Å; A4-F9 HydrophobicContact CB-CE2 4.2Å; A4-F9 HydrophobicContact CB-CG 4.19Å; A4-N57 PolarHBondContact N-O 2.98Å
5S94Very high94.8Very high103 Ų10359.3 Ų59.372%0.7236%0.357SS*.  trans-148159173.560.90000109.7F7S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 WeakPolarHBondContact O-CD1 3.36Å; S5-F7 PolarHBondContact O-N 3.31Å
6G91.4Very high95Very high81 Ų8156.4 Ų56.484%0.83534%0.337SS*.SBendtrans83.5-0.9178.400000115.7
7F90.6Very high95.2Very high37 Ų3753.2 Ų53.216%0.16232%0.318CS..SBendtrans-151.4162.9173.665.5-81.2000111.4A4 S5 F9 Y12 M14 Y86A4-F7 HydrophobicContact CB-CE1 3.81Å; A4-F7 HydrophobicContact CB-CE2 4.42Å; A4-F7 HydrophobicContact CB-CZ 3.6Å; S5-F7 VanDerWaalsContact C-N 3.33Å; S5-F7 WeakPolarHBondContact O-CD1 3.36Å; S5-F7 PolarHBondContact O-N 3.31Å; F7-F9 HydrophobicContact CE2-CB 4.33Å; F7-F9 HydrophobicContact CE2-CD2 4.41Å; F7-F9 HydrophobicContact CZ-CD2 4.49Å; F7-F9 PolarHBondContact O-N 2.96Å; F7-Y12 AromaticContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CE2 4.05Å; F7-Y12 HydrophobicContact CD2-CG 4.19Å; F7-Y12 HydrophobicContact CE2-CD2 4.27Å; F7-Y12 HydrophobicContact CE2-CG 4.31Å; F7-M14 HydrophobicContact CE2-SD 4.11Å; F7-M14 HydrophobicContact CZ-CE 4.31Å; F7-M14 HydrophobicContact CZ-SD 4.24Å; F7-Y86 HydrophobicContact CB-CD2 4.4Å; F7-Y86 HydrophobicContact CB-CE2 3.83Å; F7-Y86 AromaticContact CD1-CD2 3.64Å; F7-Y86 HydrophobicContact CD1-CD2 3.64Å; F7-Y86 AromaticContact CD1-CE2 3.91Å; F7-Y86 HydrophobicContact CD1-CE2 3.91Å; F7-Y86 HydrophobicContact CD1-CG 4.15Å; F7-Y86 HydrophobicContact CD2-CD2 4.36Å; F7-Y86 HydrophobicContact CD2-CE2 4.48Å; F7-Y86 AromaticContact CE1-CD2 3.91Å; F7-Y86 HydrophobicContact CE1-CD2 3.91Å; F7-Y86 HydrophobicContact CE1-CG 4.22Å; F7-Y86 AromaticContact CG-CD2 3.89Å; F7-Y86 HydrophobicContact CG-CD2 3.89Å; F7-Y86 AromaticContact CG-CE2 3.84Å; F7-Y86 HydrophobicContact CG-CE2 3.84Å; F7-Y86 HydrophobicContact CZ-CD2 4.37Å
8D92.3Very high95.3Very high72 Ų7251.4 Ų51.439%0.38531%0.305SS..  trans-75.285.8175.3-178.2-1.4000110.5S10 R11 Y12D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 2.95Å; D8-S10 PolarHBondContact OD1-OG 3.06Å; D8-R11 PolarHBondContact O-N 3.13Å; D8-R11 WeakPolarHBondContact OD2-CD 3.45Å; D8-R11 VanDerWaalsContact OD2-CG 3.28Å; D8-R11 WeakPolarHBondContact OD2-CG 3.29Å; D8-R11 IonicContact OD2-CZ 3.47Å; D8-R11 IonicContact OD2-NE 2.75Å; D8-R11 PolarHBondContact OD2-NE 2.8Å; D8-Y12 WeakPolarHBondContact O-CD2 3.12Å
9F94.5Very high95.4Very high1 Ų152.2 Ų52.20%0.00431%0.305CS..G310 helixtrans-48.3-36.3-179.3176.3-97.5000113.2A4 F7 R11 Y12 M14 R52 N54 N57 L59A4-F9 HydrophobicContact CB-CB 4.21Å; A4-F9 HydrophobicContact CB-CD2 3.48Å; A4-F9 VanDerWaalsContact CB-CD2 3.48Å; A4-F9 HydrophobicContact CB-CE2 4.2Å; A4-F9 HydrophobicContact CB-CG 4.19Å; F7-F9 HydrophobicContact CE2-CB 4.33Å; F7-F9 HydrophobicContact CE2-CD2 4.41Å; F7-F9 HydrophobicContact CZ-CD2 4.49Å; F7-F9 PolarHBondContact O-N 2.96Å; F9-R11 PolarHBondContact O-N 3.48Å; F9-R11 VanDerWaalsContact O-N 3.16Å; F9-Y12 PolarHBondContact O-N 3.26Å; F9-M14 HydrophobicContact CD2-CE 4.19Å; F9-M14 HydrophobicContact CD2-CG 4.02Å; F9-M14 HydrophobicContact CD2-SD 3.87Å; F9-M14 HydrophobicContact CE2-CE 3.9Å; F9-M14 HydrophobicContact CE2-CG 3.52Å; F9-M14 HydrophobicContact CE2-SD 3.85Å; F9-M14 HydrophobicContact CZ-CG 4.02Å; F9-R52 VanDerWaalsContact CD1-NH2 3.29Å; F9-R52 HydrophobicContact CE1-CB 4.21Å; F9-R52 HydrophobicContact CZ-CB 4.09Å; F9-R52 PolarHBondContact O-NH2 2.82Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.37Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 WeakPolarHBondContact CB-OD1 3.19Å; F9-N57 HydrophobicContact CD1-CB 4.34Å; F9-N57 HydrophobicContact CG-CB 4.14Å; F9-L59 HydrophobicContact CE2-CB 4.24Å; F9-L59 HydrophobicContact CZ-CB 4.23Å
10S93.9Very high95.5Very high46 Ų4650.8 Ų50.832%0.32230%0.3SS..G310 helixtrans-64.5-20-176.577.90000113.7D8 P33D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.5Å; D8-S10 PolarHBondContact OD1-N 2.95Å; D8-S10 PolarHBondContact OD1-OG 3.06Å; S10-P33 VanDerWaalsContact O-CB 3.25Å; S10-P33 WeakPolarHBondContact O-CB 3.3Å
11R92.4Very high95.5Very high198 Ų19853.3 Ų53.375%0.74732%0.318SS*.G310 helixtrans-94.5-9.4-178.8-72.3-174.8170.5178.2-4.5114.8D8 F9D8-R11 PolarHBondContact O-N 3.13Å; D8-R11 WeakPolarHBondContact OD2-CD 3.45Å; D8-R11 VanDerWaalsContact OD2-CG 3.28Å; D8-R11 WeakPolarHBondContact OD2-CG 3.29Å; D8-R11 IonicContact OD2-CZ 3.47Å; D8-R11 IonicContact OD2-NE 2.75Å; D8-R11 PolarHBondContact OD2-NE 2.8Å; F9-R11 PolarHBondContact O-N 3.48Å; F9-R11 VanDerWaalsContact O-N 3.16Å
12Y93.6Very high95.5Very high41 Ų4152.3 Ų52.316%0.16133%0.325CS..SBendtrans-106.4143.9-173.7-69.8-104.9000110.9F7 D8 F9 R52 N79 R80F7-Y12 AromaticContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CE2 4.05Å; F7-Y12 HydrophobicContact CD2-CG 4.19Å; F7-Y12 HydrophobicContact CE2-CD2 4.27Å; F7-Y12 HydrophobicContact CE2-CG 4.31Å; D8-Y12 WeakPolarHBondContact O-CD2 3.12Å; F9-Y12 PolarHBondContact O-N 3.26Å; Y12-R52 PolarHBondContact O-NH1 3.15Å; Y12-N79 WeakPolarHBondContact CD1-O 3.18Å; Y12-R80 HydrophobicContact CD1-CB 4.37Å; Y12-R80 HydrophobicContact CE1-CB 4.04Å; Y12-R80 HydrophobicContact CE1-CG 4.03Å
13W95.8Very high95.3Very high84 Ų8458.3 Ų58.332%0.31835%0.348SS..EExtended strand (participates in β ladder)trans-65.6145.3157.3-77.371.2000108.5E30 I31 N32 T37 N79W13-E30 HydrophobicContact CE3-CB 4.27Å; W13-E30 HydrophobicContact CE3-CG 3.45Å; W13-E30 VanDerWaalsContact CE3-CG 3.45Å; W13-E30 VanDerWaalsContact CZ3-CD 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.59Å; W13-I31 WeakPolarHBondContact CA-O 3.29Å; W13-N32 HydrophobicContact CD2-CB 3.6Å; W13-N32 HydrophobicContact CE3-CB 3.83Å; W13-N32 HydrophobicContact CG-CB 4.31Å; W13-N32 HydrophobicContact CH2-CB 3.71Å; W13-N32 HydrophobicContact CZ2-CB 3.43Å; W13-N32 VanDerWaalsContact CZ2-CB 3.43Å; W13-N32 HydrophobicContact CZ3-CB 3.89Å; W13-T37 HydrophobicContact CH2-CG2 3.96Å; W13-T37 HydrophobicContact CZ3-CG2 4.47Å; W13-N79 HydrophobicContact CB-CB 3.74Å; W13-N79 PolarHBondContact O-N 3.42Å
14M97.3Very high95.3Very high4 Ų457.3 Ų57.32%0.0235%0.346CS..EExtended strand (participates in β ladder)trans-129.9132.3-175.8-65.2-59.1-5300109.7F7 F9 E30 I31 L59F7-M14 HydrophobicContact CE2-SD 4.11Å; F7-M14 HydrophobicContact CZ-CE 4.31Å; F7-M14 HydrophobicContact CZ-SD 4.24Å; F9-M14 HydrophobicContact CD2-CE 4.19Å; F9-M14 HydrophobicContact CD2-CG 4.02Å; F9-M14 HydrophobicContact CD2-SD 3.87Å; F9-M14 HydrophobicContact CE2-CE 3.9Å; F9-M14 HydrophobicContact CE2-CG 3.52Å; F9-M14 HydrophobicContact CE2-SD 3.85Å; F9-M14 HydrophobicContact CZ-CG 4.02Å; M14-E30 CarbonylContact O-C 3.43Å; M14-E30 WeakPolarHBondContact O-CA 3.41Å; M14-E30 WeakPolarHBondContact O-CB 3.45Å; M14-I31 HydrophobicContact CB-CG2 4.21Å; M14-I31 PolarHBondContact N-O 2.94Å; M14-I31 PolarHBondContact O-N 3.17Å; M14-L59 HydrophobicContact CB-CD1 3.68Å; M14-L59 HydrophobicContact CB-CD2 3.91Å; M14-L59 HydrophobicContact CB-CG 4.33Å
15S97.4Very high95.3Very high0 Ų061.5 Ų61.50%037%0.365CS..EExtended strand (participates in β ladder)trans-115.6155.6-175.9-75.80000112.9W27 G29 E30 C76 A77 N79S15-W27 PolarHBondContact OG-NE1 2.83Å; S15-W27 VanDerWaalsContact OG-NE1 3.11Å; S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.4Å; S15-E30 VanDerWaalsContact OG-CB 3.26Å; S15-E30 WeakPolarHBondContact OG-CB 3.32Å; S15-C76 CarbonylContact O-C 3.6Å; S15-C76 WeakPolarHBondContact O-CA 3.35Å; S15-A77 PolarHBondContact N-O 3.43Å; S15-A77 PolarHBondContact O-N 3.13Å; S15-N79 PolarHBondContact OG-ND2 3.1Å
16W98.3Very high95.4Very high12 Ų1259.7 Ų59.75%0.04535%0.345CS..EExtended strand (participates in β ladder)trans-109.8138.3158.4-75.399.3000110.5C2 I28 G29 L59 Y60 L61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.74Å; C2-W16 HydrophobicContact CB-CZ2 3.98Å; W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.12Å; W16-I28 WeakPolarHBondContact O-CB 3.34Å; W16-I28 PolarHBondContact O-N 2.87Å; W16-G29 PolarHBondContact N-O 3.1Å; W16-L59 HydrophobicContact CD2-CD2 4.28Å; W16-L59 HydrophobicContact CG-CD2 4.29Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.27Å; W16-Y60 PolarHBondContact NE1-O 3.21Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; W16-L61 HydrophobicContact CB-CD1 4.31Å; W16-L61 HydrophobicContact CB-CD2 4.33Å; W16-L61 HydrophobicContact CD2-CB 3.87Å; W16-L61 HydrophobicContact CD2-CD2 3.95Å; W16-L61 HydrophobicContact CD2-CG 4.35Å; W16-L61 HydrophobicContact CE3-CD2 4.12Å; W16-L61 HydrophobicContact CG-CB 4.14Å; W16-L61 HydrophobicContact CG-CD1 3.96Å; W16-L61 HydrophobicContact CG-CD2 4.03Å; W16-L61 HydrophobicContact CG-CG 4.29Å; W16-L61 HydrophobicContact CZ2-CB 3.95Å; W16-Y75 CarbonylContact C-O 3.56Å; W16-Y75 WeakPolarHBondContact CA-O 3.13Å; W16-Y75 VanDerWaalsContact CE3-C 3.48Å; W16-C76 HydrophobicContact CE3-CB 4.32Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.32Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å
17V97.9Very high95.7Very high3 Ų359.4 Ų59.42%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-132.7144.8177.3-178.40000107.3L25 E26 Y75 F84 W87V17-L25 HydrophobicContact CG1-CB 3.9Å; V17-L25 HydrophobicContact CG1-CD2 4.1Å; V17-L25 HydrophobicContact CG1-CG 4.46Å; V17-E26 CarbonylContact C-O 3.6Å; V17-E26 WeakPolarHBondContact CA-O 3.33Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; V17-Y75 PolarHBondContact N-O 3.26Å; V17-Y75 PolarHBondContact O-N 3.16Å; V17-F84 HydrophobicContact CG2-CE1 4.37Å; V17-F84 HydrophobicContact CG2-CZ 4.08Å; V17-W87 HydrophobicContact CB-CH2 4.02Å; V17-W87 HydrophobicContact CB-CZ3 3.81Å; V17-W87 HydrophobicContact CG1-CH2 3.96Å; V17-W87 HydrophobicContact CG1-CZ3 4Å; V17-W87 HydrophobicContact CG2-CH2 3.76Å; V17-W87 HydrophobicContact CG2-CZ3 3.93Å
18R97.5Very high96Very high20 Ų2057.6 Ų57.68%0.07531%0.311CS..EExtended strand (participates in β ladder)trans-125.8158.4172.667.4176.5-170.4176.12.6112.8E26 I28 D70 A72 L73 Y74R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.45Å; R18-E26 PolarHBondContact N-O 2.82Å; R18-E26 IonicContact NE-OE2 3.94Å; R18-E26 PolarHBondContact NE-OE2 2.9Å; R18-E26 IonicContact NH2-OE1 3.36Å; R18-E26 IonicContact NH2-OE2 3.32Å; R18-E26 PolarHBondContact NH2-OE2 2.76Å; R18-E26 PolarHBondContact O-N 3.16Å; R18-I28 HydrophobicContact CB-CD1 3.99Å; R18-I28 HydrophobicContact CB-CG1 4.44Å; R18-I28 HydrophobicContact CG-CD1 4.08Å; R18-I28 HydrophobicContact CG-CG1 4.08Å; R18-D70 IonicContact CZ-OD1 2.8Å; R18-D70 IonicContact NH1-OD1 2.74Å; R18-D70 PolarHBondContact NH1-OD1 2.97Å; R18-D70 IonicContact NH2-OD1 3.2Å; R18-A72 HydrophobicContact CB-CB 3.97Å; R18-A72 HydrophobicContact CG-CB 4.48Å; R18-L73 CarbonylContact C-O 3.41Å; R18-L73 WeakPolarHBondContact CA-O 3.27Å; R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.28Å
19Q98Very high96.2Very high66 Ų6654.2 Ų54.231%0.30829%0.293SS..EExtended strand (participates in β ladder)trans-133.6105.7173.8-165.8177.519.300109.9K23 L25 A72 L73 Y75Q19-K23 WeakPolarHBondContact CG-O 3.42Å; Q19-K23 PolarHBondContact NE2-O 2.84Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; Q19-L25 HydrophobicContact CB-CD2 4.03Å; Q19-L25 HydrophobicContact CG-CD2 4.33Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.49Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.5Å; Q19-L73 HydrophobicContact CB-CB 4.48Å; Q19-L73 PolarHBondContact N-O 2.8Å; Q19-L73 PolarHBondContact O-N 3.06Å; Q19-Y75 HydrophobicContact CB-CE2 4.03Å
20A96.9Very high96.4Very high24 Ų2455.8 Ų55.820%0.19830%0.3CS..  trans-72.2153.3172.500000110.7G22 K23 A72A20-G22 PolarHBondContact O-N 3.14Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.34Å; A20-K23 PolarHBondContact O-N 3.47Å; A20-A72 HydrophobicContact CB-CB 4.45Å
21P95.9Very high96.6Very high105 Ų10553.7 Ų53.768%0.68229%0.285SS*.THydrogen-bonded Turntrans-52.7126.7177.2-26.834.8000112.3K23 T71P21-K23 PolarHBondContact O-N 2.75Å; P21-T71 WeakPolarHBondContact CD-O 3.23Å
22G95.9Very high96.7Very high87 Ų8745 Ų4590%0.89725%0.253SS*.THydrogen-bonded Turntrans70.512.2-179.200000115.2A20A20-G22 PolarHBondContact O-N 3.14Å
23K95.8Very high96.9Very high147 Ų14744.7 Ų44.764%0.63926%0.257SS*.  trans-115.2161.8176.7-59-64.7-175.5177.50111.6Q19 A20 P21Q19-K23 WeakPolarHBondContact CG-O 3.42Å; Q19-K23 PolarHBondContact NE2-O 2.84Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.34Å; A20-K23 PolarHBondContact O-N 3.47Å; P21-K23 PolarHBondContact O-N 2.75Å
24G95.9Very high96.9Very high56 Ų5645.9 Ų45.958%0.57727%0.269SS*.  trans-72.8178.5169.600000112.3
25L96.1Very high96.9Very high105 Ų10548.2 Ų48.255%0.5529%0.286SS..EExtended strand (participates in β ladder)trans-66.5131172.5-63.7176.3000110.2V17 Q19 Y75 W87V17-L25 HydrophobicContact CG1-CB 3.9Å; V17-L25 HydrophobicContact CG1-CD2 4.1Å; V17-L25 HydrophobicContact CG1-CG 4.46Å; Q19-L25 HydrophobicContact CB-CD2 4.03Å; Q19-L25 HydrophobicContact CG-CD2 4.33Å; L25-Y75 HydrophobicContact CD2-CE2 4.33Å; L25-W87 HydrophobicContact CD1-CH2 3.97Å; L25-W87 HydrophobicContact CD1-CZ3 4.48Å
26E96.8Very high96.9Very high64 Ų6452.3 Ų52.330%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-117.7118.9174.7-176.2-177.4-159.900108.8V17 R18 L44V17-E26 CarbonylContact C-O 3.6Å; V17-E26 WeakPolarHBondContact CA-O 3.33Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; R18-E26 HydrophobicContact CG-CB 4.19Å; R18-E26 IonicContact CZ-OE2 3.45Å; R18-E26 PolarHBondContact N-O 2.82Å; R18-E26 IonicContact NE-OE2 3.94Å; R18-E26 PolarHBondContact NE-OE2 2.9Å; R18-E26 IonicContact NH2-OE1 3.36Å; R18-E26 IonicContact NH2-OE2 3.32Å; R18-E26 PolarHBondContact NH2-OE2 2.76Å; R18-E26 PolarHBondContact O-N 3.16Å; E26-L44 HydrophobicContact CG-CD1 4.3Å
27W96.9Very high96.8Very high75 Ų7554.3 Ų54.328%0.28433%0.328SS..EExtended strand (participates in β ladder)trans-72.4132.8175.9179.679.1000110.3S15 G29 E30 N39 T41 F84S15-W27 PolarHBondContact OG-NE1 2.83Å; S15-W27 VanDerWaalsContact OG-NE1 3.11Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 PolarHBondContact NE1-O 2.85Å; W27-E30 HydrophobicContact CH2-CG 4.45Å; W27-E30 HydrophobicContact CZ2-CB 3.77Å; W27-E30 HydrophobicContact CZ2-CG 3.66Å; W27-N39 HydrophobicContact CH2-CB 3.75Å; W27-N39 HydrophobicContact CZ2-CB 4.37Å; W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.32Å; W27-T41 PolarHBondContact O-OG1 3.42Å; W27-F84 AromaticContact CD1-CZ 3.88Å
28I97.4Very high96.8Very high0 Ų057.3 Ų57.30%034%0.343CS..EExtended strand (participates in β ladder)trans-90.9-47.3179.7-63.6173.9000110.4W16 R18 Y40 T41 L44 F48 L61 Y74W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.12Å; W16-I28 WeakPolarHBondContact O-CB 3.34Å; W16-I28 PolarHBondContact O-N 2.87Å; R18-I28 HydrophobicContact CB-CD1 3.99Å; R18-I28 HydrophobicContact CB-CG1 4.44Å; R18-I28 HydrophobicContact CG-CD1 4.08Å; R18-I28 HydrophobicContact CG-CG1 4.08Å; I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I28-T41 PolarHBondContact O-N 2.72Å; I28-L44 HydrophobicContact CB-CD1 4.44Å; I28-L44 HydrophobicContact CG1-CD1 4.07Å; I28-F48 HydrophobicContact CG2-CB 4.06Å; I28-F48 HydrophobicContact CG2-CD2 3.66Å; I28-F48 HydrophobicContact CG2-CE2 4.48Å; I28-F48 HydrophobicContact CG2-CG 4.08Å; I28-L61 HydrophobicContact CD1-CD2 4.09Å; I28-L61 HydrophobicContact CG2-CD1 4.43Å; I28-Y74 HydrophobicContact CD1-CD1 3.65Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å
29G97.3Very high96.8Very high0 Ų059.5 Ų59.50%036%0.357CS..EExtended strand (participates in β ladder)trans167.4173.1-172.600000111.8S15 W16 W27 N39S15-G29 CarbonylContact C-O 3.59Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.4Å; W16-G29 PolarHBondContact N-O 3.1Å; W27-G29 VanDerWaalsContact CE2-C 3.48Å; W27-G29 PolarHBondContact NE1-O 2.85Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.43Å
30E97.1Very high96.8Very high35 Ų3558.4 Ų58.416%0.16435%0.35CS..EExtended strand (participates in β ladder)trans-143.4158178.473.6-174.4155.300111.7W13 M14 S15 W27 I38 N39 N79W13-E30 HydrophobicContact CE3-CB 4.27Å; W13-E30 HydrophobicContact CE3-CG 3.45Å; W13-E30 VanDerWaalsContact CE3-CG 3.45Å; W13-E30 VanDerWaalsContact CZ3-CD 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.59Å; M14-E30 CarbonylContact O-C 3.43Å; M14-E30 WeakPolarHBondContact O-CA 3.41Å; M14-E30 WeakPolarHBondContact O-CB 3.45Å; S15-E30 VanDerWaalsContact OG-CB 3.26Å; S15-E30 WeakPolarHBondContact OG-CB 3.32Å; W27-E30 HydrophobicContact CH2-CG 4.45Å; W27-E30 HydrophobicContact CZ2-CB 3.77Å; W27-E30 HydrophobicContact CZ2-CG 3.66Å; E30-I38 CarbonylContact O-C 3.48Å; E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 2.99Å; E30-I38 VanDerWaalsContact O-CG2 3.22Å; E30-I38 WeakPolarHBondContact O-CG2 3.02Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.87Å; E30-N39 PolarHBondContact O-N 2.8Å; E30-N39 PolarHBondContact OE1-ND2 2.79Å; E30-N39 VanDerWaalsContact OE1-ND2 3.08Å; E30-N79 PolarHBondContact OE2-ND2 2.93Å
31I97.9Very high96.8Very high2 Ų258.7 Ų58.71%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-128.2136.1176.3-174.8161.3000110W13 M14 I38 I50 R52 L59W13-I31 WeakPolarHBondContact CA-O 3.29Å; M14-I31 HydrophobicContact CB-CG2 4.21Å; M14-I31 PolarHBondContact N-O 2.94Å; M14-I31 PolarHBondContact O-N 3.17Å; I31-I38 HydrophobicContact CB-CG1 4.39Å; I31-I38 HydrophobicContact CD1-CD1 3.93Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CG1 3.97Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.63Å; I31-R52 HydrophobicContact CD1-CG 3.95Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.49Å; I31-L59 HydrophobicContact CG2-CD1 3.53Å
32N96.2Very high96.7Very high14 Ų1459.1 Ų59.18%0.07535%0.352CS..  trans-77.9166.5179.977.5-27.3000112.1W13 D34 S35 S36 T37 R52W13-N32 HydrophobicContact CD2-CB 3.6Å; W13-N32 HydrophobicContact CE3-CB 3.83Å; W13-N32 HydrophobicContact CG-CB 4.31Å; W13-N32 HydrophobicContact CH2-CB 3.71Å; W13-N32 HydrophobicContact CZ2-CB 3.43Å; W13-N32 VanDerWaalsContact CZ2-CB 3.43Å; W13-N32 HydrophobicContact CZ3-CB 3.89Å; N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.14Å; N32-D34 PolarHBondContact O-N 2.8Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; N32-S35 PolarHBondContact O-N 2.9Å; N32-S35 VanDerWaalsContact OD1-CA 3.27Å; N32-S35 WeakPolarHBondContact OD1-CA 3.48Å; N32-S35 PolarHBondContact OD1-N 3.02Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; N32-S36 PolarHBondContact ND2-OG 2.9Å; N32-S36 PolarHBondContact OD1-N 2.93Å; N32-T37 PolarHBondContact N-O 2.88Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact OD1-N 2.74Å; N32-T37 PolarHBondContact OD1-O 3.35Å; N32-T37 VanDerWaalsContact OD1-O 3.13Å; N32-R52 WeakPolarHBondContact O-CD 2.84Å; N32-R52 PolarHBondContact O-NH1 3.46Å
33P96.1Very high96.5Very high35 Ų3559 Ų5923%0.22734%0.337CS..THydrogen-bonded Turntrans-44.2-47.6179.3-41.644.5000117.1S10 R52 N54S10-P33 VanDerWaalsContact O-CB 3.25Å; S10-P33 WeakPolarHBondContact O-CB 3.3Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; P33-N54 PolarHBondContact O-ND2 2.77Å
34D95.8Very high96.4Very high109 Ų10952.1 Ų52.158%0.58331%0.308SS*.THydrogen-bonded Turntrans-94.33.1-174.366.410.5000113.4N32 S36N32-D34 VanDerWaalsContact C-N 3.34Å; N32-D34 VanDerWaalsContact CG-OD1 3.23Å; N32-D34 PolarHBondContact ND2-OD1 3.14Å; N32-D34 PolarHBondContact O-N 2.8Å; N32-D34 PolarHBondContact OD1-OD1 2.85Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; D34-S36 PolarHBondContact O-N 2.01Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.14Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.31Å; D34-S36 PolarHBondContact OD2-OG 3.45Å
35S97.1Very high96.2Very high53 Ų5355.5 Ų55.537%0.37131%0.306SS..SBendtrans62.910.8-178.2-46.20000115.4N32 T37 R52N32-S35 PolarHBondContact O-N 2.9Å; N32-S35 VanDerWaalsContact OD1-CA 3.27Å; N32-S35 WeakPolarHBondContact OD1-CA 3.48Å; N32-S35 PolarHBondContact OD1-N 3.02Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-R52 WeakPolarHBondContact OG-CD 2.79Å; S35-R52 WeakPolarHBondContact OG-CG 3.26Å
36S97.4Very high96.1Very high86 Ų8656.4 Ų56.460%0.60131%0.312SS*.SBendtrans-72.6-23.9176.963.40000113N32 D34N32-S36 PolarHBondContact ND2-OG 2.9Å; N32-S36 PolarHBondContact OD1-N 2.93Å; D34-S36 PolarHBondContact O-N 2.01Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.14Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.31Å; D34-S36 PolarHBondContact OD2-OG 3.45Å
37T97.5Very high96Very high55 Ų5554 Ų5434%0.33730%0.301SS..  trans-127.1130.6-177.6-54.90000111.1W13 N32 S35W13-T37 HydrophobicContact CH2-CG2 3.96Å; W13-T37 HydrophobicContact CZ3-CG2 4.47Å; N32-T37 PolarHBondContact N-O 2.88Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact OD1-N 2.74Å; N32-T37 PolarHBondContact OD1-O 3.35Å; N32-T37 VanDerWaalsContact OD1-O 3.13Å; S35-T37 VanDerWaalsContact C-N 3.29Å
38I97.7Very high95.9Very high65 Ų6550.5 Ų50.533%0.33329%0.287SS..EExtended strand (participates in β ladder)trans-132.6120.5173-45.2177.8000108.7E30 I31 Y40 I50E30-I38 CarbonylContact O-C 3.48Å; E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 2.99Å; E30-I38 VanDerWaalsContact O-CG2 3.22Å; E30-I38 WeakPolarHBondContact O-CG2 3.02Å; I31-I38 HydrophobicContact CB-CG1 4.39Å; I31-I38 HydrophobicContact CD1-CD1 3.93Å; I31-I38 HydrophobicContact CD1-CG1 3.96Å; I31-I38 HydrophobicContact CG1-CG1 3.97Å; I38-Y40 HydrophobicContact CB-CE2 3.91Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.24Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; I38-I50 HydrophobicContact CG2-CB 4.22Å
39N97.1Very high95.9Very high66 Ų6654.4 Ų54.435%0.35331%0.307SS..EExtended strand (participates in β ladder)trans-102147.6174.8-58.9-40.9000109.5W27 G29 E30W27-N39 HydrophobicContact CH2-CB 3.75Å; W27-N39 HydrophobicContact CZ2-CB 4.37Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.43Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.87Å; E30-N39 PolarHBondContact O-N 2.8Å; E30-N39 PolarHBondContact OE1-ND2 2.79Å; E30-N39 VanDerWaalsContact OE1-ND2 3.08Å
40Y97.5Very high95.9Very high43 Ų4354.6 Ų54.617%0.16931%0.308CS..EExtended strand (participates in β ladder)trans-137.6153180-70.5-88.5000110.8I28 I38 K45 F48 I50I28-Y40 WeakPolarHBondContact O-CA 3.39Å; I38-Y40 HydrophobicContact CB-CE2 3.91Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.24Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å; Y40-K45 HydrophobicContact CD2-CD 4.34Å; Y40-K45 HydrophobicContact CD2-CG 3.89Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.09Å; Y40-K45 HydrophobicContact CG-CG 3.92Å; Y40-F48 VanDerWaalsContact CE1-O 3.31Å; Y40-F48 WeakPolarHBondContact CE1-O 3.36Å; Y40-I50 HydrophobicContact CD1-CD1 4.37Å; Y40-I50 HydrophobicContact CE1-CD1 3.86Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 3.24Å
41T96.6Very high96Very high30 Ų3055.4 Ų55.418%0.18432%0.318CS..  trans-64.9124.9157.4-67.30000108.7W27 I28 S43 L44 K45W27-T41 VanDerWaalsContact CE3-OG1 3.29Å; W27-T41 WeakPolarHBondContact O-CB 3.32Å; W27-T41 PolarHBondContact O-OG1 3.42Å; I28-T41 PolarHBondContact O-N 2.72Å; T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.38Å; T41-S43 PolarHBondContact O-N 3.11Å; T41-S43 VanDerWaalsContact O-N 3.15Å; T41-L44 HydrophobicContact CG2-CD1 4.3Å; T41-L44 HydrophobicContact CG2-CG 4.19Å; T41-L44 PolarHBondContact O-N 2.85Å; T41-K45 PolarHBondContact O-N 3.07Å
42P95.1Very high96Very high115 Ų11556.5 Ų56.575%0.74732%0.322SS*.THydrogen-bonded Turntrans-54.2-39.1-171.7-30.635.9000114.8L44P42-L44 PolarHBondContact O-N 2.92Å
43S92.1Very high96.1Very high83 Ų8357.9 Ų57.958%0.5833%0.329SS*.THydrogen-bonded Turntrans-68.8-14.7179.4540000114.3T41T41-S43 VanDerWaalsContact C-N 3.28Å; T41-S43 WeakPolarHBondContact CG2-OG 3.38Å; T41-S43 PolarHBondContact O-N 3.11Å; T41-S43 VanDerWaalsContact O-N 3.15Å
44L93.1Very high96.2Very high4 Ų459.1 Ų59.12%0.02133%0.334CS..THydrogen-bonded Turntrans-112.6-14.1-172.5-58-175.5000113.5E26 I28 T41 P42 D46 K47 F48E26-L44 HydrophobicContact CG-CD1 4.3Å; I28-L44 HydrophobicContact CB-CD1 4.44Å; I28-L44 HydrophobicContact CG1-CD1 4.07Å; T41-L44 HydrophobicContact CG2-CD1 4.3Å; T41-L44 HydrophobicContact CG2-CG 4.19Å; T41-L44 PolarHBondContact O-N 2.85Å; P42-L44 PolarHBondContact O-N 2.92Å; L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 2.9Å; L44-K47 PolarHBondContact O-N 3.22Å; L44-K47 VanDerWaalsContact O-N 3.07Å; L44-F48 HydrophobicContact CB-CD2 3.98Å; L44-F48 HydrophobicContact CB-CE2 4.25Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 2.62Å
45K91.9Very high96.2Very high126 Ų12658.5 Ų58.555%0.54834%0.344SS..THydrogen-bonded Turntrans-56.5-35.2-175.7-174.5179.4177.8-176.70113.9Y40 T41 K47Y40-K45 HydrophobicContact CD2-CD 4.34Å; Y40-K45 HydrophobicContact CD2-CG 3.89Å; Y40-K45 HydrophobicContact CE2-CG 4.47Å; Y40-K45 HydrophobicContact CG-CB 4.09Å; Y40-K45 HydrophobicContact CG-CG 3.92Å; T41-K45 PolarHBondContact O-N 3.07Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.21Å
46D92.8Very high96.2Very high124 Ų12462.2 Ų62.266%0.66335%0.354SS*.THydrogen-bonded Turntrans-82.4-8.7-177.3-65.9-25.8000113.8L44L44-D46 VanDerWaalsContact C-N 3.27Å; L44-D46 PolarHBondContact O-N 2.9Å
47K94.9Very high96.2Very high15 Ų1561.1 Ų61.17%0.06534%0.341CS..THydrogen-bonded Turntrans-101.8-29.6-177.9-61.5-173.2178.9-168.70112.9L44 K45 S64 K65 E69 D70L44-K47 PolarHBondContact O-N 3.22Å; L44-K47 VanDerWaalsContact O-N 3.07Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 3.21Å; K47-S64 PolarHBondContact O-N 2.81Å; K47-S64 VanDerWaalsContact O-N 3.14Å; K47-S64 PolarHBondContact O-OG 3.46Å; K47-K65 HydrophobicContact CG-CB 4.45Å; K47-E69 IonicContact NZ-OE1 2.72Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; K47-D70 IonicContact NZ-OD1 3.74Å; K47-D70 PolarHBondContact NZ-OD1 2.84Å; K47-D70 IonicContact NZ-OD2 2.87Å; K47-D70 PolarHBondContact NZ-OD2 3.03Å
48F96.1Very high96.3Very high1 Ų159.2 Ų59.20%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-126.5137.2-169-59-56.2000112I28 Y40 L44 L61 Q62 M63 V66 Y74I28-F48 HydrophobicContact CG2-CB 4.06Å; I28-F48 HydrophobicContact CG2-CD2 3.66Å; I28-F48 HydrophobicContact CG2-CE2 4.48Å; I28-F48 HydrophobicContact CG2-CG 4.08Å; Y40-F48 VanDerWaalsContact CE1-O 3.31Å; Y40-F48 WeakPolarHBondContact CE1-O 3.36Å; L44-F48 HydrophobicContact CB-CD2 3.98Å; L44-F48 HydrophobicContact CB-CE2 4.25Å; L44-F48 HydrophobicContact CD2-CE2 4.25Å; L44-F48 PolarHBondContact O-N 2.62Å; F48-L61 HydrophobicContact CB-CD1 3.78Å; F48-L61 HydrophobicContact CD1-CD1 4.36Å; F48-L61 HydrophobicContact CD1-CD2 4.39Å; F48-L61 HydrophobicContact CD1-CG 4.31Å; F48-L61 HydrophobicContact CG-CD1 4.22Å; F48-Q62 WeakPolarHBondContact CA-O 3.25Å; F48-M63 HydrophobicContact CD1-CB 4.12Å; F48-M63 HydrophobicContact CD1-CE 4.24Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.08Å; F48-M63 HydrophobicContact CE1-CE 3.47Å; F48-M63 VanDerWaalsContact CE1-CE 3.47Å; F48-M63 HydrophobicContact CE1-CG 3.79Å; F48-M63 HydrophobicContact CE1-SD 4.47Å; F48-M63 HydrophobicContact CZ-CE 4.21Å; F48-V66 HydrophobicContact CE1-CG1 3.81Å; F48-V66 HydrophobicContact CZ-CG1 4.31Å; F48-Y74 HydrophobicContact CE1-CE1 4.34Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å; F48-Y74 WeakPolarHBondContact CZ-OH 2.98Å
49I96.9Very high96.3Very high82 Ų8256.1 Ų56.142%0.42131%0.313SS..EExtended strand (participates in β ladder)trans-120.1119.9173.8-54.1175.1000107.8Q62I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 3.08Å; I49-Q62 PolarHBondContact O-N 2.69Å
50I98.1Very high96.4Very high3 Ų356.5 Ų56.52%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-93135.2176-57.7174.5000108.7I31 I38 Y40 L59 L61I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.63Å; I38-I50 HydrophobicContact CG2-CB 4.22Å; Y40-I50 HydrophobicContact CD1-CD1 4.37Å; Y40-I50 HydrophobicContact CE1-CD1 3.86Å; Y40-I50 HydrophobicContact CE1-CG1 3.83Å; Y40-I50 PolarHBondContact OH-N 3.24Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; I50-L61 HydrophobicContact CG1-CD1 3.83Å
51S98.3Very high96.4Very high53 Ų5355.7 Ų55.737%0.37131%0.309SS..EExtended strand (participates in β ladder)trans-146.7165.1170.862.80000110.4Y60S51-Y60 PolarHBondContact N-O 2.86Å; S51-Y60 PolarHBondContact O-N 2.85Å; S51-Y60 WeakPolarHBondContact OG-CB 3.48Å
52R98.3Very high96.5Very high25 Ų2559.8 Ų59.89%0.09433%0.326CS..EExtended strand (participates in β ladder)trans-140.7153-178.164.5-175.6-66.9159.13.2111.6F9 Y12 I31 N32 P33 S35 N54 T58 L59F9-R52 VanDerWaalsContact CD1-NH2 3.29Å; F9-R52 HydrophobicContact CE1-CB 4.21Å; F9-R52 HydrophobicContact CZ-CB 4.09Å; F9-R52 PolarHBondContact O-NH2 2.82Å; Y12-R52 PolarHBondContact O-NH1 3.15Å; I31-R52 HydrophobicContact CD1-CG 3.95Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-R52 HydrophobicContact CG2-CG 4.49Å; N32-R52 WeakPolarHBondContact O-CD 2.84Å; N32-R52 PolarHBondContact O-NH1 3.46Å; P33-R52 VanDerWaalsContact CA-NH1 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 2.79Å; S35-R52 WeakPolarHBondContact OG-CG 3.26Å; R52-N54 PolarHBondContact NE-OD1 2.92Å; R52-N54 PolarHBondContact NH2-OD1 2.84Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.38Å; R52-L59 HydrophobicContact CB-CD1 4.15Å
53D98Very high96.5Very high43 Ų4357.2 Ų57.223%0.2331%0.305CS..EExtended strand (participates in β ladder)trans-125.7107.9170.6-176.7-24.1000108.3A55 K56 N57 T58 Y60D53-A55 WeakPolarHBondContact OD1-CB 3.41Å; D53-A55 PolarHBondContact OD1-N 2.78Å; D53-K56 HydrophobicContact CB-CB 4.23Å; D53-K56 PolarHBondContact O-N 2.83Å; D53-K56 PolarHBondContact OD1-N 2.77Å; D53-K56 VanDerWaalsContact OD1-N 3.1Å; D53-K56 WeakPolarHBondContact OD2-CD 3.46Å; D53-K56 WeakPolarHBondContact OD2-CE 3.47Å; D53-K56 WeakPolarHBondContact OD2-CG 3.43Å; D53-K56 IonicContact OD2-NZ 3.7Å; D53-K56 PolarHBondContact OD2-NZ 2.93Å; D53-N57 PolarHBondContact O-N 2.95Å; D53-T58 PolarHBondContact N-O 2.96Å; D53-T58 PolarHBondContact O-N 2.69Å; D53-Y60 HydrophobicContact CB-CE2 3.91Å
54N97.2Very high96.4Very high60 Ų6056.8 Ų56.832%0.32130%0.302SS..THydrogen-bonded Turntrans-72.1-28.7-178.7-72.3-16.1000112.5F9 P33 R52 K56 N57F9-N54 WeakPolarHBondContact CE1-OD1 3.37Å; P33-N54 PolarHBondContact O-ND2 2.77Å; R52-N54 PolarHBondContact NE-OD1 2.92Å; R52-N54 PolarHBondContact NH2-OD1 2.84Å; N54-K56 VanDerWaalsContact C-N 3.25Å; N54-K56 PolarHBondContact O-N 3.13Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 2.78Å
55A96.4Very high96.2Very high97 Ų9763.1 Ų63.180%0.80233%0.329SS*.THydrogen-bonded Turntrans-69.6-29.2177.100000111.3D53D53-A55 WeakPolarHBondContact OD1-CB 3.41Å; D53-A55 PolarHBondContact OD1-N 2.78Å
56K97.6Very high96.2Very high131 Ų13159.6 Ų59.657%0.5732%0.318SS*.THydrogen-bonded Turntrans-1002.1177.8-60.5-178.8-167.6161.20114D53 N54 T58D53-K56 HydrophobicContact CB-CB 4.23Å; D53-K56 PolarHBondContact O-N 2.83Å; D53-K56 PolarHBondContact OD1-N 2.77Å; D53-K56 VanDerWaalsContact OD1-N 3.1Å; D53-K56 WeakPolarHBondContact OD2-CD 3.46Å; D53-K56 WeakPolarHBondContact OD2-CE 3.47Å; D53-K56 WeakPolarHBondContact OD2-CG 3.43Å; D53-K56 IonicContact OD2-NZ 3.7Å; D53-K56 PolarHBondContact OD2-NZ 2.93Å; N54-K56 VanDerWaalsContact C-N 3.25Å; N54-K56 PolarHBondContact O-N 3.13Å; K56-T58 PolarHBondContact O-N 3.2Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.97Å
57N97.3Very high96.3Very high62 Ų6260.4 Ų60.433%0.33231%0.311SS..THydrogen-bonded Turntrans46.640.7-171.5-62.1-39.2000112.8A4 F9 D53 N54A4-N57 PolarHBondContact N-O 2.98Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 WeakPolarHBondContact CB-OD1 3.19Å; F9-N57 HydrophobicContact CD1-CB 4.34Å; F9-N57 HydrophobicContact CG-CB 4.14Å; D53-N57 PolarHBondContact O-N 2.95Å; N54-N57 PolarHBondContact O-N 2.81Å; N54-N57 PolarHBondContact O-OD1 2.78Å
58T98.4Very high96.3Very high15 Ų1562.8 Ų62.89%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-122.7131.4-169.9-60.40000111.7C2 R52 D53 K56 Y60C2-T58 CarbonylContact O-C 3.39Å; C2-T58 WeakPolarHBondContact O-CA 3.32Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.38Å; D53-T58 PolarHBondContact N-O 2.96Å; D53-T58 PolarHBondContact O-N 2.69Å; K56-T58 PolarHBondContact O-N 3.2Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.97Å; T58-Y60 HydrophobicContact CG2-CD1 4.36Å; T58-Y60 HydrophobicContact CG2-CD2 4.27Å; T58-Y60 HydrophobicContact CG2-CE1 3.74Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.38Å
59L98.6Very high96.2Very high0 Ų068 Ų680%035%0.354CS..EExtended strand (participates in β ladder)trans-98.1141.7171-170.671.1000110.4S1 C2 F9 M14 W16 I31 I50 R52 C76S1-L59 CarbonylContact C-O 3.51Å; S1-L59 WeakPolarHBondContact CA-O 3.33Å; C2-L59 HydrophobicContact CB-CB 4.48Å; C2-L59 PolarHBondContact N-O 2.91Å; C2-L59 PolarHBondContact O-N 3.13Å; F9-L59 HydrophobicContact CE2-CB 4.24Å; F9-L59 HydrophobicContact CZ-CB 4.23Å; M14-L59 HydrophobicContact CB-CD1 3.68Å; M14-L59 HydrophobicContact CB-CD2 3.91Å; M14-L59 HydrophobicContact CB-CG 4.33Å; W16-L59 HydrophobicContact CD2-CD2 4.28Å; W16-L59 HydrophobicContact CG-CD2 4.29Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.27Å; I31-L59 HydrophobicContact CG2-CD1 3.53Å; I50-L59 HydrophobicContact CG2-CD1 4.01Å; R52-L59 HydrophobicContact CB-CD1 4.15Å; L59-C76 HydrophobicContact CD2-CB 4.07Å
60Y98.6Very high96.1Very high74 Ų7464 Ų6429%0.2933%0.334SS..EExtended strand (participates in β ladder)trans-122.6146.9179.7-59.5-86.8000110.8W16 S51 D53 T58W16-Y60 PolarHBondContact NE1-O 3.21Å; W16-Y60 VanDerWaalsContact NE1-O 3.13Å; S51-Y60 PolarHBondContact N-O 2.86Å; S51-Y60 PolarHBondContact O-N 2.85Å; S51-Y60 WeakPolarHBondContact OG-CB 3.48Å; D53-Y60 HydrophobicContact CB-CE2 3.91Å; T58-Y60 HydrophobicContact CG2-CD1 4.36Å; T58-Y60 HydrophobicContact CG2-CD2 4.27Å; T58-Y60 HydrophobicContact CG2-CE1 3.74Å; T58-Y60 HydrophobicContact CG2-CE2 3.65Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.38Å
61L98.3Very high96.1Very high26 Ų2665.2 Ų65.214%0.13634%0.342CS..EExtended strand (participates in β ladder)trans-130.4105.8170-172.466.1000106.2W16 I28 F48 I50 M63 Y74W16-L61 HydrophobicContact CB-CD1 4.31Å; W16-L61 HydrophobicContact CB-CD2 4.33Å; W16-L61 HydrophobicContact CD2-CB 3.87Å; W16-L61 HydrophobicContact CD2-CD2 3.95Å; W16-L61 HydrophobicContact CD2-CG 4.35Å; W16-L61 HydrophobicContact CE3-CD2 4.12Å; W16-L61 HydrophobicContact CG-CB 4.14Å; W16-L61 HydrophobicContact CG-CD1 3.96Å; W16-L61 HydrophobicContact CG-CD2 4.03Å; W16-L61 HydrophobicContact CG-CG 4.29Å; W16-L61 HydrophobicContact CZ2-CB 3.95Å; I28-L61 HydrophobicContact CD1-CD2 4.09Å; I28-L61 HydrophobicContact CG2-CD1 4.43Å; F48-L61 HydrophobicContact CB-CD1 3.78Å; F48-L61 HydrophobicContact CD1-CD1 4.36Å; F48-L61 HydrophobicContact CD1-CD2 4.39Å; F48-L61 HydrophobicContact CD1-CG 4.31Å; F48-L61 HydrophobicContact CG-CD1 4.22Å; I50-L61 HydrophobicContact CG1-CD1 3.83Å; L61-M63 HydrophobicContact CD2-CE 4.35Å; L61-M63 HydrophobicContact CD2-CG 4.45Å; L61-M63 HydrophobicContact CG-CG 4.25Å; L61-Y74 HydrophobicContact CD2-CD1 3.71Å; L61-Y74 HydrophobicContact CD2-CE1 4.03Å
62Q97.8Very high96.1Very high117 Ų11762.8 Ų62.855%0.54733%0.325SS..EExtended strand (participates in β ladder)trans-87.2131.8171.2178.2178.3-9.800108.6F48 I49F48-Q62 WeakPolarHBondContact CA-O 3.25Å; I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 3.08Å; I49-Q62 PolarHBondContact O-N 2.69Å
63M95.6Very high96.1Very high61 Ų6164.5 Ų64.530%0.334%0.335SS..EExtended strand (participates in β ladder)trans-118.9117.9-174.5-52.1173.3102.300107.6F48 L61 V66 Y74 V93F48-M63 HydrophobicContact CD1-CB 4.12Å; F48-M63 HydrophobicContact CD1-CE 4.24Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.08Å; F48-M63 HydrophobicContact CE1-CE 3.47Å; F48-M63 VanDerWaalsContact CE1-CE 3.47Å; F48-M63 HydrophobicContact CE1-CG 3.79Å; F48-M63 HydrophobicContact CE1-SD 4.47Å; F48-M63 HydrophobicContact CZ-CE 4.21Å; L61-M63 HydrophobicContact CD2-CE 4.35Å; L61-M63 HydrophobicContact CD2-CG 4.45Å; L61-M63 HydrophobicContact CG-CG 4.25Å; M63-V66 HydrophobicContact CB-CG1 3.75Å; M63-V66 HydrophobicContact CE-CG1 4.34Å; M63-Y74 HydrophobicContact CE-CD1 3.89Å; M63-Y74 HydrophobicContact CE-CD2 4.24Å; M63-Y74 HydrophobicContact CE-CE1 3.27Å; M63-Y74 HydrophobicContact CE-CE2 3.7Å; M63-Y74 HydrophobicContact CE-CG 4.33Å; M63-Y74 WeakPolarHBondContact CE-OH 3.31Å; M63-V93 HydrophobicContact CE-CG1 4.42Å
64S89.9Confident96.1Very high73 Ų7362.7 Ų62.751%0.5133%0.325SS..SBendtrans-120.5-34.6-170.255.10000114.6K47K47-S64 PolarHBondContact O-N 2.81Å; K47-S64 VanDerWaalsContact O-N 3.14Å; K47-S64 PolarHBondContact O-OG 3.46Å
65K88.7Confident96.2Very high138 Ų13861.5 Ų61.560%0.632%0.317SS*.SBendtrans-120.742.5-178.5-62.3-179.9-176.21710112K47K47-K65 HydrophobicContact CG-CB 4.45Å
66V93.3Very high96.2Very high51 Ų5157.4 Ų57.431%0.30928%0.282SS..  trans-72.5142.4-179.9-69.50000111.3F48 M63 D70 V95F48-V66 HydrophobicContact CE1-CG1 3.81Å; F48-V66 HydrophobicContact CZ-CG1 4.31Å; M63-V66 HydrophobicContact CB-CG1 3.75Å; M63-V66 HydrophobicContact CE-CG1 4.34Å; V66-D70 WeakPolarHBondContact CA-OD2 3.29Å; V66-D70 HydrophobicContact CB-CB 4.27Å; V66-D70 HydrophobicContact CG1-CB 4.28Å; V66-V95 HydrophobicContact CB-CG2 4.2Å; V66-V95 HydrophobicContact CG2-CG1 4.4Å; V66-V95 HydrophobicContact CG2-CG2 4.15Å
67R94.6Very high96.2Very high141 Ų14151.2 Ų51.253%0.53226%0.255SS..  trans-124.1171.8176.7-74.1178.2-90.6174-6.3109.2E69 D70 V95R67-E69 HydrophobicContact CB-CG 3.87Å; R67-E69 IonicContact CZ-OE1 3.69Å; R67-E69 IonicContact NE-OE1 3.98Å; R67-E69 PolarHBondContact NE-OE1 3.12Å; R67-E69 IonicContact NH1-OE1 3.76Å; R67-E69 IonicContact NH2-OE1 2.83Å; R67-E69 PolarHBondContact O-N 3.39Å; R67-E69 VanDerWaalsContact O-N 3.14Å; R67-D70 PolarHBondContact N-OD2 3.06Å; R67-D70 WeakPolarHBondContact O-CA 3.26Å; R67-D70 WeakPolarHBondContact O-CB 3.41Å; R67-D70 PolarHBondContact O-N 3.45Å; R67-V95 WeakPolarHBondContact O-CB 3.25Å
68S95.1Very high96Very high66 Ų6648.3 Ų48.346%0.46224%0.24SC..G310 helixtrans-54.2-34.2178.855.10000113.3D70 T71 V95S68-D70 PolarHBondContact O-N 3.24Å; S68-T71 WeakPolarHBondContact O-CB 3.45Å; S68-T71 PolarHBondContact O-N 2.75Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.82Å; S68-T71 VanDerWaalsContact O-OG1 3.06Å; S68-V95 WeakPolarHBondContact CA-O 3.27Å
69E93.3Very high95.5Very high109 Ų10948.7 Ų48.751%0.50924%0.241SC..G310 helixtrans-60.6-19173.169.5-164.1-153.300114.6K47 R67 T71K47-E69 IonicContact NZ-OE1 2.72Å; K47-E69 PolarHBondContact NZ-OE1 3.05Å; R67-E69 HydrophobicContact CB-CG 3.87Å; R67-E69 IonicContact CZ-OE1 3.69Å; R67-E69 IonicContact NE-OE1 3.98Å; R67-E69 PolarHBondContact NE-OE1 3.12Å; R67-E69 IonicContact NH1-OE1 3.76Å; R67-E69 IonicContact NH2-OE1 2.83Å; R67-E69 PolarHBondContact O-N 3.39Å; R67-E69 VanDerWaalsContact O-N 3.14Å; E69-T71 VanDerWaalsContact C-N 3.3Å
70D95.5Very high94.4Very high0 Ų056 Ų560%027%0.269CS..G310 helixtrans-893.8177.8-58.2-56.8000112.3R18 K47 V66 R67 S68 A72 Y74R18-D70 IonicContact CZ-OD1 2.8Å; R18-D70 IonicContact NH1-OD1 2.74Å; R18-D70 PolarHBondContact NH1-OD1 2.97Å; R18-D70 IonicContact NH2-OD1 3.2Å; K47-D70 IonicContact NZ-OD1 3.74Å; K47-D70 PolarHBondContact NZ-OD1 2.84Å; K47-D70 IonicContact NZ-OD2 2.87Å; K47-D70 PolarHBondContact NZ-OD2 3.03Å; V66-D70 WeakPolarHBondContact CA-OD2 3.29Å; V66-D70 HydrophobicContact CB-CB 4.27Å; V66-D70 HydrophobicContact CG1-CB 4.28Å; R67-D70 PolarHBondContact N-OD2 3.06Å; R67-D70 WeakPolarHBondContact O-CA 3.26Å; R67-D70 WeakPolarHBondContact O-CB 3.41Å; R67-D70 PolarHBondContact O-N 3.45Å; S68-D70 PolarHBondContact O-N 3.24Å; D70-A72 PolarHBondContact O-N 2.85Å; D70-Y74 WeakPolarHBondContact O-CE2 3.22Å; D70-Y74 PolarHBondContact O-OH 2.99Å
71T97.4Very high93Very high28 Ų2860.3 Ų60.317%0.17230%0.297CS..  trans-61.9116.3170.7-66.80000110.5P21 S68 E69 V93 T94 V95P21-T71 WeakPolarHBondContact CD-O 3.23Å; S68-T71 WeakPolarHBondContact O-CB 3.45Å; S68-T71 PolarHBondContact O-N 2.75Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.82Å; S68-T71 VanDerWaalsContact O-OG1 3.06Å; E69-T71 VanDerWaalsContact C-N 3.3Å; T71-V93 WeakPolarHBondContact CA-O 3.25Å; T71-T94 HydrophobicContact CG2-CG2 4.32Å; T71-V95 PolarHBondContact OG1-N 3.27Å; T71-V95 PolarHBondContact OG1-O 2.95Å
72A97.9Very high91.6Very high1 Ų166.1 Ų66.11%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-163.3165.7-17500000111.9R18 Q19 A20 D70 Y74 V93R18-A72 HydrophobicContact CB-CB 3.97Å; R18-A72 HydrophobicContact CG-CB 4.48Å; Q19-A72 VanDerWaalsContact O-CA 3.32Å; Q19-A72 WeakPolarHBondContact O-CA 3.49Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.5Å; A20-A72 HydrophobicContact CB-CB 4.45Å; D70-A72 PolarHBondContact O-N 2.85Å; A72-Y74 HydrophobicContact CB-CD2 4.21Å; A72-Y74 HydrophobicContact CB-CE2 3.72Å; A72-Y74 VanDerWaalsContact O-CD2 3.29Å; A72-Y74 WeakPolarHBondContact O-CD2 3.15Å; A72-V93 PolarHBondContact N-O 2.74Å; A72-V93 VanDerWaalsContact N-O 3.13Å; A72-V93 PolarHBondContact O-N 3.17Å
73L98.4Very high90.4Very high61 Ų6162.4 Ų62.432%0.31933%0.326SS..EExtended strand (participates in β ladder)trans-77.8131.2158.3-76.9162000109R18 Q19 Y75 T91 L92R18-L73 CarbonylContact C-O 3.41Å; R18-L73 WeakPolarHBondContact CA-O 3.27Å; Q19-L73 HydrophobicContact CB-CB 4.48Å; Q19-L73 PolarHBondContact N-O 2.8Å; Q19-L73 PolarHBondContact O-N 3.06Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.35Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.5Å; L73-T91 CarbonylContact C-O 3.5Å; L73-T91 WeakPolarHBondContact CA-O 3.45Å; L73-L92 HydrophobicContact CD2-CB 3.93Å
74Y98.4Very high89.6Confident6 Ų663.4 Ų63.42%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-113.4125179.9-75.1-100.2000110.5R18 I28 F48 L61 M63 D70 A72 G90 T91 V93R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.28Å; I28-Y74 HydrophobicContact CD1-CD1 3.65Å; I28-Y74 HydrophobicContact CD1-CE1 3.51Å; F48-Y74 HydrophobicContact CE1-CE1 4.34Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å; F48-Y74 WeakPolarHBondContact CZ-OH 2.98Å; L61-Y74 HydrophobicContact CD2-CD1 3.71Å; L61-Y74 HydrophobicContact CD2-CE1 4.03Å; M63-Y74 HydrophobicContact CE-CD1 3.89Å; M63-Y74 HydrophobicContact CE-CD2 4.24Å; M63-Y74 HydrophobicContact CE-CE1 3.27Å; M63-Y74 HydrophobicContact CE-CE2 3.7Å; M63-Y74 HydrophobicContact CE-CG 4.33Å; M63-Y74 WeakPolarHBondContact CE-OH 3.31Å; D70-Y74 WeakPolarHBondContact O-CE2 3.22Å; D70-Y74 PolarHBondContact O-OH 2.99Å; A72-Y74 HydrophobicContact CB-CD2 4.21Å; A72-Y74 HydrophobicContact CB-CE2 3.72Å; A72-Y74 VanDerWaalsContact O-CD2 3.29Å; A72-Y74 WeakPolarHBondContact O-CD2 3.15Å; Y74-G90 CarbonylContact O-C 3.6Å; Y74-G90 VanDerWaalsContact O-CA 3.23Å; Y74-G90 WeakPolarHBondContact O-CA 3.28Å; Y74-T91 PolarHBondContact N-O 3.08Å; Y74-T91 PolarHBondContact O-N 3.03Å; Y74-V93 HydrophobicContact CD2-CB 3.83Å; Y74-V93 HydrophobicContact CD2-CG2 3.68Å; Y74-V93 HydrophobicContact CE2-CB 3.82Å; Y74-V93 HydrophobicContact CE2-CG2 4.11Å; Y74-V93 HydrophobicContact CG-CG2 4.4Å
75Y98.3Very high89.1Confident35 Ų3562.2 Ų62.214%0.13732%0.324CS..EExtended strand (participates in β ladder)trans-117.6136.7-176.5-53.9-91.9000109.9W16 V17 Q19 L25 L73 W87 G90W16-Y75 CarbonylContact C-O 3.56Å; W16-Y75 WeakPolarHBondContact CA-O 3.13Å; W16-Y75 VanDerWaalsContact CE3-C 3.48Å; V17-Y75 PolarHBondContact N-O 3.26Å; V17-Y75 PolarHBondContact O-N 3.16Å; Q19-Y75 HydrophobicContact CB-CE2 4.03Å; L25-Y75 HydrophobicContact CD2-CE2 4.33Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.35Å; L73-Y75 VanDerWaalsContact CD1-OH 3.3Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.5Å; Y75-W87 HydrophobicContact CG-CE3 4.25Å; Y75-W87 HydrophobicContact CG-CZ3 4.29Å; Y75-G90 VanDerWaalsContact CE1-CA 3.5Å
76C97.4Very high89.2Confident10 Ų1061.1 Ų61.17%0.06832%0.317CS..EExtended strand (participates in β ladder)trans-88.8146.2159.254.10000109.1C2 S15 W16 L59 G88C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.39Å; C2-C76 WeakPolarHBondContact SG-CB 3.48Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.09Å; S15-C76 CarbonylContact O-C 3.6Å; S15-C76 WeakPolarHBondContact O-CA 3.35Å; W16-C76 HydrophobicContact CE3-CB 4.32Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.32Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å; L59-C76 HydrophobicContact CD2-CB 4.07Å; C76-G88 PolarHBondContact O-N 3.42Å
77A96.5Very high89.3Confident1 Ų163.5 Ų63.51%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-144.3148.1174.200000111.2S15 F84 Y86 W87S15-A77 PolarHBondContact N-O 3.43Å; S15-A77 PolarHBondContact O-N 3.13Å; A77-F84 HydrophobicContact CB-CB 4.37Å; A77-F84 HydrophobicContact CB-CD1 3.38Å; A77-F84 HydrophobicContact CB-CE1 3.94Å; A77-F84 HydrophobicContact CB-CG 4.09Å; A77-Y86 CarbonylContact C-O 3.57Å; A77-Y86 WeakPolarHBondContact CA-O 3.42Å; A77-Y86 WeakPolarHBondContact CB-O 3.18Å; A77-W87 HydrophobicContact CB-CD2 3.82Å; A77-W87 HydrophobicContact CB-CE3 3.94Å; A77-W87 HydrophobicContact CB-CG 4.29Å; A77-W87 HydrophobicContact CB-CH2 4.45Å; A77-W87 HydrophobicContact CB-CZ2 4.35Å; A77-W87 HydrophobicContact CB-CZ3 4.26Å
78S94.6Very high89.4Confident1 Ų157.9 Ų57.91%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-93.1140.1174690000110.8F84 A85 Y86S78-F84 CarbonylContact O-C 3.48Å; S78-F84 VanDerWaalsContact O-CA 3.26Å; S78-F84 WeakPolarHBondContact O-CA 3.39Å; S78-A85 PolarHBondContact O-N 3.03Å; S78-Y86 PolarHBondContact N-O 3.05Å; S78-Y86 WeakPolarHBondContact OG-CB 3.39Å; S78-Y86 VanDerWaalsContact OG-CD2 3.25Å; S78-Y86 WeakPolarHBondContact OG-CD2 3.11Å; S78-Y86 PolarHBondContact OG-N 2.59Å
79N86.8Confident89.4Confident24 Ų2463.6 Ų63.613%0.12833%0.326CS..EExtended strand (participates in β ladder)trans-104.2128.1177-67-11.2000110.5Y12 W13 S15 E30 F84Y12-N79 WeakPolarHBondContact CD1-O 3.18Å; W13-N79 HydrophobicContact CB-CB 3.74Å; W13-N79 PolarHBondContact O-N 3.42Å; S15-N79 PolarHBondContact OG-ND2 3.1Å; E30-N79 PolarHBondContact OE2-ND2 2.93Å; N79-F84 WeakPolarHBondContact OD1-CD1 3.35Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.2Å
80R76.4Confident89.6Confident154 Ų15459.8 Ų59.858%0.58132%0.316SS*.EExtended strand (participates in β ladder)trans-116.8164.8164.4-159.2176.8-179-179.20.1108.1Y12 V82 G83 A85Y12-R80 HydrophobicContact CD1-CB 4.37Å; Y12-R80 HydrophobicContact CE1-CB 4.04Å; Y12-R80 HydrophobicContact CE1-CG 4.03Å; R80-V82 PolarHBondContact O-N 2.62Å; R80-G83 PolarHBondContact N-O 3.32Å; R80-G83 PolarHBondContact O-N 3.24Å; R80-G83 VanDerWaalsContact O-O 3.12Å; R80-A85 HydrophobicContact CB-CB 4.4Å
81D69.1Low89.7Confident163 Ų16363.9 Ų63.987%0.87234%0.341SS*.THydrogen-bonded Turntrans-47.2-12.3-172.6-52.7-56.2000117.1
82V67.6Low89.7Confident148 Ų14867.7 Ų67.790%0.89736%0.36SS*.THydrogen-bonded Turntrans-123.48.5-179.8-650000114.8R80R80-V82 PolarHBondContact O-N 2.62Å
83G73.3Confident89.7Confident39 Ų3969.5 Ų69.540%0.40237%0.371SS..EExtended strand (participates in β ladder)trans134.4-163.1175.800000115.3R80 A85R80-G83 PolarHBondContact N-O 3.32Å; R80-G83 PolarHBondContact O-N 3.24Å; R80-G83 VanDerWaalsContact O-O 3.12Å; G83-A85 PolarHBondContact O-N 3.19Å
84F78.1Confident89.7Confident82 Ų8271.6 Ų71.636%0.3639%0.386SS..EExtended strand (participates in β ladder)trans-75113.4178.8-62.8-69.8000111.3V17 W27 A77 S78 N79 W87V17-F84 HydrophobicContact CG2-CE1 4.37Å; V17-F84 HydrophobicContact CG2-CZ 4.08Å; W27-F84 AromaticContact CD1-CZ 3.88Å; A77-F84 HydrophobicContact CB-CB 4.37Å; A77-F84 HydrophobicContact CB-CD1 3.38Å; A77-F84 HydrophobicContact CB-CE1 3.94Å; A77-F84 HydrophobicContact CB-CG 4.09Å; S78-F84 CarbonylContact O-C 3.48Å; S78-F84 VanDerWaalsContact O-CA 3.26Å; S78-F84 WeakPolarHBondContact O-CA 3.39Å; N79-F84 WeakPolarHBondContact OD1-CD1 3.35Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.2Å; F84-W87 HydrophobicContact CB-CZ2 3.83Å; F84-W87 HydrophobicContact CD1-CZ2 4.26Å; F84-W87 HydrophobicContact CD2-CH2 4.17Å; F84-W87 AromaticContact CD2-CZ2 3.4Å; F84-W87 HydrophobicContact CD2-CZ2 3.4Å; F84-W87 VanDerWaalsContact CD2-CZ2 3.4Å; F84-W87 HydrophobicContact CE2-CH2 4.34Å; F84-W87 HydrophobicContact CE2-CZ2 4.01Å; F84-W87 AromaticContact CG-CE2 3.91Å; F84-W87 HydrophobicContact CG-CH2 4.43Å; F84-W87 AromaticContact CG-CZ2 3.57Å; F84-W87 HydrophobicContact CG-CZ2 3.57Å
85A80.9Confident89.5Confident49 Ų4972.7 Ų72.741%0.40539%0.394SS..EExtended strand (participates in β ladder)trans-85.1-43.1-178.800000113.1S78 R80 G83S78-A85 PolarHBondContact O-N 3.03Å; R80-A85 HydrophobicContact CB-CB 4.4Å; G83-A85 PolarHBondContact O-N 3.19Å
86Y90.4Very high89.2Confident114 Ų11476 Ų7645%0.44742%0.422SS..EExtended strand (participates in β ladder)trans-129.4139.9-178.2-57.1-72.2000110.1F7 A77 S78F7-Y86 HydrophobicContact CB-CD2 4.4Å; F7-Y86 HydrophobicContact CB-CE2 3.83Å; F7-Y86 AromaticContact CD1-CD2 3.64Å; F7-Y86 HydrophobicContact CD1-CD2 3.64Å; F7-Y86 AromaticContact CD1-CE2 3.91Å; F7-Y86 HydrophobicContact CD1-CE2 3.91Å; F7-Y86 HydrophobicContact CD1-CG 4.15Å; F7-Y86 HydrophobicContact CD2-CD2 4.36Å; F7-Y86 HydrophobicContact CD2-CE2 4.48Å; F7-Y86 AromaticContact CE1-CD2 3.91Å; F7-Y86 HydrophobicContact CE1-CD2 3.91Å; F7-Y86 HydrophobicContact CE1-CG 4.22Å; F7-Y86 AromaticContact CG-CD2 3.89Å; F7-Y86 HydrophobicContact CG-CD2 3.89Å; F7-Y86 AromaticContact CG-CE2 3.84Å; F7-Y86 HydrophobicContact CG-CE2 3.84Å; F7-Y86 HydrophobicContact CZ-CD2 4.37Å; A77-Y86 CarbonylContact C-O 3.57Å; A77-Y86 WeakPolarHBondContact CA-O 3.42Å; A77-Y86 WeakPolarHBondContact CB-O 3.18Å; S78-Y86 PolarHBondContact N-O 3.05Å; S78-Y86 WeakPolarHBondContact OG-CB 3.39Å; S78-Y86 VanDerWaalsContact OG-CD2 3.25Å; S78-Y86 WeakPolarHBondContact OG-CD2 3.11Å; S78-Y86 PolarHBondContact OG-N 2.59Å
87W95Very high88.4Confident101 Ų10183 Ų8338%0.38348%0.48SS..EExtended strand (participates in β ladder)trans-121.7138.7177.1-73.781.3000110.6V17 L25 Y75 A77 F84V17-W87 HydrophobicContact CB-CH2 4.02Å; V17-W87 HydrophobicContact CB-CZ3 3.81Å; V17-W87 HydrophobicContact CG1-CH2 3.96Å; V17-W87 HydrophobicContact CG1-CZ3 4Å; V17-W87 HydrophobicContact CG2-CH2 3.76Å; V17-W87 HydrophobicContact CG2-CZ3 3.93Å; L25-W87 HydrophobicContact CD1-CH2 3.97Å; L25-W87 HydrophobicContact CD1-CZ3 4.48Å; Y75-W87 HydrophobicContact CG-CE3 4.25Å; Y75-W87 HydrophobicContact CG-CZ3 4.29Å; A77-W87 HydrophobicContact CB-CD2 3.82Å; A77-W87 HydrophobicContact CB-CE3 3.94Å; A77-W87 HydrophobicContact CB-CG 4.29Å; A77-W87 HydrophobicContact CB-CH2 4.45Å; A77-W87 HydrophobicContact CB-CZ2 4.35Å; A77-W87 HydrophobicContact CB-CZ3 4.26Å; F84-W87 HydrophobicContact CB-CZ2 3.83Å; F84-W87 HydrophobicContact CD1-CZ2 4.26Å; F84-W87 HydrophobicContact CD2-CH2 4.17Å; F84-W87 AromaticContact CD2-CZ2 3.4Å; F84-W87 HydrophobicContact CD2-CZ2 3.4Å; F84-W87 VanDerWaalsContact CD2-CZ2 3.4Å; F84-W87 HydrophobicContact CE2-CH2 4.34Å; F84-W87 HydrophobicContact CE2-CZ2 4.01Å; F84-W87 AromaticContact CG-CE2 3.91Å; F84-W87 HydrophobicContact CG-CH2 4.43Å; F84-W87 AromaticContact CG-CZ2 3.57Å; F84-W87 HydrophobicContact CG-CZ2 3.57Å
88G96.1Very high88Confident24 Ų2487.1 Ų87.125%0.24750%0.504CS..  trans-70.8161.3163.900000111.3C76 G90C76-G88 PolarHBondContact O-N 3.42Å; G88-G90 PolarHBondContact O-N 2.94Å; G88-G90 VanDerWaalsContact O-N 3.16Å
89Q95.9Very high87.6Confident185 Ų18591.6 Ų91.686%0.86453%0.53SS*.  trans-66.3-14.9178.7-64.7-62.4-4400113.6
90G97Very high87.7Confident30 Ų3095.4 Ų95.431%0.30955%0.552SS.*  trans87155-175.500000112.5Y74 Y75 G88Y74-G90 CarbonylContact O-C 3.6Å; Y74-G90 VanDerWaalsContact O-CA 3.23Å; Y74-G90 WeakPolarHBondContact O-CA 3.28Å; Y75-G90 VanDerWaalsContact CE1-CA 3.5Å; G88-G90 PolarHBondContact O-N 2.94Å; G88-G90 VanDerWaalsContact O-N 3.16Å
91T98.1Very high88.3Confident86 Ų8691.9 Ų91.953%0.52855%0.551SS.*EExtended strand (participates in β ladder)trans-132.1134.9171-149.70000109.8L73 Y74 V93L73-T91 CarbonylContact C-O 3.5Å; L73-T91 WeakPolarHBondContact CA-O 3.45Å; Y74-T91 PolarHBondContact N-O 3.08Å; Y74-T91 PolarHBondContact O-N 3.03Å; T91-V93 HydrophobicContact CG2-CG2 4.02Å; T91-V93 PolarHBondContact O-N 3.13Å
92L98Very high89.5Confident108 Ų10887.5 Ų87.557%0.56553%0.531SS*.EExtended strand (participates in β ladder)trans-77.9123.9175.6178.361000108.6L73L73-L92 HydrophobicContact CD2-CB 3.93Å
93V97.6Very high91Very high39 Ų3983.5 Ų83.524%0.23651%0.506CS..EExtended strand (participates in β ladder)trans-111.6121.2168.1-178.20000107.3M63 T71 A72 Y74 T91 V95M63-V93 HydrophobicContact CE-CG1 4.42Å; T71-V93 WeakPolarHBondContact CA-O 3.25Å; A72-V93 PolarHBondContact N-O 2.74Å; A72-V93 VanDerWaalsContact N-O 3.13Å; A72-V93 PolarHBondContact O-N 3.17Å; Y74-V93 HydrophobicContact CD2-CB 3.83Å; Y74-V93 HydrophobicContact CD2-CG2 3.68Å; Y74-V93 HydrophobicContact CE2-CB 3.82Å; Y74-V93 HydrophobicContact CE2-CG2 4.11Å; Y74-V93 HydrophobicContact CG-CG2 4.4Å; T91-V93 HydrophobicContact CG2-CG2 4.02Å; T91-V93 PolarHBondContact O-N 3.13Å; V93-V95 HydrophobicContact CG1-CG2 4.3Å
94T97.1Very high92.3Very high104 Ų10486.6 Ų86.664%0.63851%0.514SS*.  trans-109.9127.9176.3-54.90000109.2T71T71-T94 HydrophobicContact CG2-CG2 4.32Å
95V94.8Very high93.4Very high30 Ų3087 Ų8718%0.18253%0.525CS..  trans-118.9116.6177-173.90000107.4V66 R67 S68 T71 V93V66-V95 HydrophobicContact CB-CG2 4.2Å; V66-V95 HydrophobicContact CG2-CG1 4.4Å; V66-V95 HydrophobicContact CG2-CG2 4.15Å; R67-V95 WeakPolarHBondContact O-CB 3.25Å; S68-V95 WeakPolarHBondContact CA-O 3.27Å; T71-V95 PolarHBondContact OG1-N 3.27Å; T71-V95 PolarHBondContact OG1-O 2.95Å; V93-V95 HydrophobicContact CG1-CG2 4.3Å
96S91.8Very high94.4Very high104 Ų10490.2 Ų90.273%0.72754%0.535SS*.  trans-84.4159.6173.455.40000110.9
97A80.9Confident94.7Very high157 Ų15788 Ų88100%1.29854%0.543SS*.  trans-69.70172.500000112.1

Retrieved 97 of 97 residues in 25.4 ms (Link to these results)

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