A0A096NQW0_PAPAN Loading...

REL proto-onco, NF-kB subunit

AlphaFold DB , UniProt , Accession A0A096NQW0, Species PAPAN (Papio anubis, Olive baboon), Gene REL, Length 587 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
1M43.2Very low69.1Low248 Ų248103.3 Ų103.3100%1.22260%0.597SS**  0135.90-63.6168.2179.900107.5
2A37.6Very low71.5Confident99 Ų9997.3 Ų97.382%0.81856%0.561SS**  cis-132.1126.9-3.300000110.2G4A2-G4 PolarHBondContact O-N 3.45Å
3S43Very low73.6Confident112 Ų11296.2 Ų96.278%0.78355%0.551SS**  trans-86.1100165.848.50000108.1A5S3-A5 PolarHBondContact O-N 2.96Å
4G43.4Very low75.3Confident60 Ų6090.8 Ų90.862%0.61952%0.518SS*.  trans-67.876.116700000109.8A2 Y6A2-G4 PolarHBondContact O-N 3.45Å; G4-Y6 VanDerWaalsContact C-N 3.28Å; G4-Y6 WeakPolarHBondContact O-CD2 3.19Å; G4-Y6 PolarHBondContact O-N 2.82Å
5A52.2Low76.8Confident81 Ų8187.5 Ų87.567%0.66950%0.496SS*.  trans-7682.6179.300000109S3 N7S3-A5 PolarHBondContact O-N 2.96Å; A5-N7 PolarHBondContact O-N 2.96Å
6Y73.6Confident78.2Confident179 Ų17982 Ų8270%0.70247%0.465SS*.PPolyproline II helixtrans-60.9120.7168.9-60.7-86.4000108.6G4 N54G4-Y6 VanDerWaalsContact C-N 3.28Å; G4-Y6 WeakPolarHBondContact O-CD2 3.19Å; G4-Y6 PolarHBondContact O-N 2.82Å; Y6-N54 VanDerWaalsContact CB-CG 3.48Å; Y6-N54 VanDerWaalsContact CB-ND2 3.29Å; Y6-N54 WeakPolarHBondContact CB-ND2 3.44Å; Y6-N54 VanDerWaalsContact O-CB 3.27Å; Y6-N54 WeakPolarHBondContact O-CB 3.38Å
7N87.7Confident79.3Confident133 Ų13382 Ų8271%0.71146%0.456SS*.PPolyproline II helixtrans-58.1144.5179.1-73.9-7.6000110.7A5 N54A5-N7 PolarHBondContact O-N 2.96Å; N7-N54 PolarHBondContact O-ND2 3.35Å
8P92.3Very high80.2Confident40 Ų4080.8 Ų80.826%0.2645%0.446SS..PPolyproline II helixtrans-66.2137.3174.927.1-34000111M53 L156 L167P8-M53 VanDerWaalsContact CA-O 3.24Å; P8-M53 WeakPolarHBondContact CA-O 3.48Å; P8-L156 HydrophobicContact CB-CD1 4.06Å; P8-L156 HydrophobicContact CG-CD1 3.89Å; P8-L167 HydrophobicContact CB-CD1 4.3Å; P8-L167 HydrophobicContact CB-CD2 4.12Å; P8-L167 HydrophobicContact CG-CD2 3.81Å
9Y94.3Very high81Confident101 Ų10178.4 Ų78.440%0.39643%0.43SS..EExtended strand (participates in β ladder)trans-142.5162.9178.970.9-94.6000111.3E11 I52 M53 N54Y9-E11 HydrophobicContact CE2-CB 3.99Å; Y9-E11 HydrophobicContact CE2-CG 4.5Å; Y9-E11 PolarHBondContact OH-OE2 3.12Å; Y9-E11 VanDerWaalsContact OH-OE2 3.11Å; Y9-I52 CarbonylContact O-C 3.6Å; Y9-I52 WeakPolarHBondContact O-CA 3.47Å; Y9-M53 HydrophobicContact CD1-CB 3.93Å; Y9-M53 HydrophobicContact CD2-CB 4.13Å; Y9-M53 HydrophobicContact CD2-CG 4.39Å; Y9-M53 HydrophobicContact CE1-CB 3.53Å; Y9-M53 HydrophobicContact CE1-CG 4.32Å; Y9-M53 HydrophobicContact CE2-CB 3.73Å; Y9-M53 HydrophobicContact CE2-CG 3.72Å; Y9-M53 HydrophobicContact CG-CB 4.21Å; Y9-M53 PolarHBondContact N-O 3.14Å; Y9-M53 PolarHBondContact O-N 3.07Å; Y9-N54 WeakPolarHBondContact CE1-ND2 2.97Å
10I96.3Very high81.6Confident9 Ų975.7 Ų75.75%0.04642%0.421CS..EExtended strand (participates in β ladder)trans-95.3128.6177.9-51.1170.8000108.9I50 F152 V154 L167 V170I10-I50 HydrophobicContact CG2-CB 3.93Å; I10-I50 HydrophobicContact CG2-CD1 3.89Å; I10-I50 HydrophobicContact CG2-CG1 4.31Å; I10-I50 HydrophobicContact CG2-CG2 4.15Å; I10-F152 HydrophobicContact CG2-CB 4.48Å; I10-V154 HydrophobicContact CD1-CB 3.85Å; I10-V154 HydrophobicContact CD1-CG2 3.68Å; I10-V154 HydrophobicContact CG1-CB 4.09Å; I10-V154 HydrophobicContact CG1-CG2 3.88Å; I10-L167 HydrophobicContact CD1-CB 4.38Å; I10-L167 HydrophobicContact CG1-CB 4.29Å; I10-L167 HydrophobicContact CG1-CD1 4.1Å; I10-V170 HydrophobicContact CB-CB 4.31Å; I10-V170 HydrophobicContact CB-CG2 3.85Å; I10-V170 HydrophobicContact CG2-CB 4.42Å; I10-V170 HydrophobicContact CG2-CG2 4.47Å
11E96.8Very high82.1Confident74 Ų7472.9 Ų72.935%0.34641%0.405SS..EExtended strand (participates in β ladder)trans-115.8132.3172-165.9161.4170.300109.7Y9 I13 I50 Q51 M53Y9-E11 HydrophobicContact CE2-CB 3.99Å; Y9-E11 HydrophobicContact CE2-CG 4.5Å; Y9-E11 PolarHBondContact OH-OE2 3.12Å; Y9-E11 VanDerWaalsContact OH-OE2 3.11Å; E11-I13 HydrophobicContact CG-CD1 4.35Å; E11-I13 PolarHBondContact O-N 3.42Å; E11-I50 CarbonylContact O-C 3.6Å; E11-I50 WeakPolarHBondContact O-CA 3.27Å; E11-I50 WeakPolarHBondContact O-CB 3.29Å; E11-Q51 PolarHBondContact N-O 2.88Å; E11-Q51 PolarHBondContact O-N 3.25Å; E11-M53 HydrophobicContact CB-CG 3.87Å; E11-M53 WeakPolarHBondContact OE2-CE 3.49Å; E11-M53 WeakPolarHBondContact OE2-CG 3.44Å
12I98.2Very high84.6Confident31 Ų3164 Ų6416%0.15936%0.358CS..EExtended strand (participates in β ladder)trans-84.4110.6173.9-61.5174.3000107.8E14 Q15 I50 F152 V170I12-E14 VanDerWaalsContact CG2-C 3.46Å; I12-E14 WeakPolarHBondContact CG2-O 3.34Å; I12-Q15 HydrophobicContact CG2-CG 4.09Å; I12-I50 HydrophobicContact CG1-CG2 4.07Å; I12-F152 HydrophobicContact CD1-CD2 4.03Å; I12-F152 HydrophobicContact CD1-CE2 3.74Å; I12-F152 HydrophobicContact CG1-CD2 4.18Å; I12-F152 HydrophobicContact CG1-CE2 4Å; I12-V170 HydrophobicContact CD1-CG1 3.86Å; I12-V170 HydrophobicContact CG1-CG1 4.03Å
13I97.6Very high87.4Confident83 Ų8359.3 Ų59.343%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-80.9-34.4178.4-57.4-57.6000110.7E11 S49 Q51 P99E11-I13 HydrophobicContact CG-CD1 4.35Å; E11-I13 PolarHBondContact O-N 3.42Å; I13-S49 PolarHBondContact N-O 2.74Å; I13-Q51 HydrophobicContact CD1-CB 3.88Å; I13-Q51 HydrophobicContact CG1-CB 3.65Å; I13-P99 HydrophobicContact CG1-CB 4.34Å; I13-P99 HydrophobicContact CG1-CG 4.31Å; I13-P99 HydrophobicContact CG2-CG 4.41Å
14E97.9Very high90Very high21 Ų2157.7 Ų57.710%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-139.4123.6170-175.2166.1-155.300111.2I12 G37 H39 T46 Y47 P48 S49I12-E14 VanDerWaalsContact CG2-C 3.46Å; I12-E14 WeakPolarHBondContact CG2-O 3.34Å; E14-G37 WeakPolarHBondContact OE1-CA 3.28Å; E14-H39 PolarHBondContact OE1-N 2.83Å; E14-H39 VanDerWaalsContact OE1-N 3.15Å; E14-T46 VanDerWaalsContact CD-OG1 3.25Å; E14-T46 WeakPolarHBondContact OE1-CB 3.47Å; E14-T46 PolarHBondContact OE1-OG1 3.02Å; E14-T46 WeakPolarHBondContact OE2-CB 3.03Å; E14-T46 PolarHBondContact OE2-OG1 2.82Å; E14-Y47 PolarHBondContact OE2-N 2.65Å; E14-Y47 VanDerWaalsContact OE2-O 3.08Å; E14-P48 WeakPolarHBondContact O-CA 3.34Å; E14-S49 WeakPolarHBondContact CB-OG 3.24Å; E14-S49 PolarHBondContact N-O 2.72Å; E14-S49 VanDerWaalsContact N-O 3.14Å; E14-S49 PolarHBondContact N-OG 3.03Å; E14-S49 PolarHBondContact O-N 2.91Å
15Q98.4Very high92.5Very high41 Ų4159.6 Ų59.619%0.19229%0.285CS..PPolyproline II helixtrans-70.9155.8173.6-67-73.5-3.500111I12 G37 E38 N173I12-Q15 HydrophobicContact CG2-CG 4.09Å; Q15-G37 CarbonylContact O-C 3.47Å; Q15-G37 WeakPolarHBondContact O-CA 3.38Å; Q15-E38 HydrophobicContact CB-CB 4.14Å; Q15-E38 WeakPolarHBondContact CB-OE2 3.44Å; Q15-E38 WeakPolarHBondContact O-CB 3.45Å; Q15-E38 PolarHBondContact O-N 3.02Å; Q15-N173 HydrophobicContact CB-CB 4.4Å; Q15-N173 HydrophobicContact CG-CB 4.5Å
16P98.1Very high94.4Very high0 Ų064.1 Ų64.10%029%0.29CS..BIsolated β-bridgetrans-68.3144.716631.8-34.9000110.9Q18 I35 P48 L150 I175P16-Q18 PolarHBondContact O-N 3.01Å; P16-I35 HydrophobicContact CB-CG2 3.53Å; P16-P48 HydrophobicContact CB-CG 3.9Å; P16-L150 HydrophobicContact CB-CD1 4.35Å; P16-L150 HydrophobicContact CG-CD1 4.28Å; P16-I175 HydrophobicContact CB-CD1 3.58Å; P16-I175 HydrophobicContact CB-CG1 3.79Å; P16-I175 HydrophobicContact CG-CD1 3.81Å; P16-I175 HydrophobicContact CG-CG1 3.73Å
17R96.8Very high95.3Very high82 Ų8260.1 Ų60.131%0.30929%0.287SS..PPolyproline II helixtrans-60.2128.1169.4-170.7-169.5-79.4-150.6-0.5109.6R19 P36 S40R17-R19 VanDerWaalsContact CD-O 3.25Å; R17-R19 WeakPolarHBondContact CD-O 3.39Å; R17-P36 HydrophobicContact CB-CG 3.89Å; R17-P36 PolarHBondContact N-O 2.83Å; R17-S40 PolarHBondContact NH2-O 2.85Å
18Q96.8Very high95.5Very high60 Ų6056.3 Ų56.328%0.2827%0.265SS..SBendtrans-72-36.7-174.8-56.2-16826.300113.6P16 N173 P174 Y176P16-Q18 PolarHBondContact O-N 3.01Å; Q18-N173 HydrophobicContact CG-CB 4.06Å; Q18-N173 PolarHBondContact NE2-ND2 2.92Å; Q18-P174 VanDerWaalsContact CA-O 3.31Å; Q18-P174 WeakPolarHBondContact CA-O 3.36Å; Q18-P174 VanDerWaalsContact CB-O 3.24Å; Q18-P174 WeakPolarHBondContact CB-O 3.41Å; Q18-P174 WeakPolarHBondContact CG-O 3.4Å; Q18-Y176 HydrophobicContact CB-CD2 4.23Å; Q18-Y176 WeakPolarHBondContact O-CB 3.45Å; Q18-Y176 WeakPolarHBondContact O-CD2 3.04Å; Q18-Y176 PolarHBondContact O-N 3.16Å
19R95Very high95Very high35 Ų3558 Ų5813%0.13229%0.29CS..SBendtrans-117.3177.5-173.8-56.7-67.7173.5152.49.8112.2R17 M21 T183 E185 D268 E270R17-R19 VanDerWaalsContact CD-O 3.25Å; R17-R19 WeakPolarHBondContact CD-O 3.39Å; R19-M21 PolarHBondContact O-N 2.88Å; R19-T183 PolarHBondContact NH1-O 2.97Å; R19-E185 HydrophobicContact CB-CB 4.24Å; R19-E185 HydrophobicContact CB-CG 4.33Å; R19-D268 IonicContact CZ-OD2 2.93Å; R19-D268 IonicContact NH1-OD2 3.75Å; R19-D268 PolarHBondContact NH1-OD2 3.04Å; R19-D268 IonicContact NH2-OD2 3.74Å; R19-D268 PolarHBondContact NH2-OD2 2.85Å; R19-E270 VanDerWaalsContact CD-OE1 3.23Å; R19-E270 WeakPolarHBondContact CD-OE1 3.43Å; R19-E270 WeakPolarHBondContact CG-OE1 3.24Å; R19-E270 IonicContact CZ-OE1 2.74Å; R19-E270 IonicContact CZ-OE2 3.79Å; R19-E270 IonicContact NE-OE1 3.76Å; R19-E270 IonicContact NE-OE2 3.46Å; R19-E270 IonicContact NH1-OE1 3.8Å; R19-E270 IonicContact NH1-OE2 3.97Å; R19-E270 PolarHBondContact NH1-OE2 2.75Å; R19-E270 IonicContact NH2-OE2 2.81Å
20G92.3Very high94.4Very high25 Ų2563.6 Ų63.626%0.25831%0.31SS..SBendtrans80.2-32.2173.900000115.7N178 E185G20-N178 WeakPolarHBondContact CA-ND2 3.27Å; G20-N178 WeakPolarHBondContact O-CB 3.47Å; G20-N178 PolarHBondContact O-ND2 2.68Å; G20-E185 WeakPolarHBondContact CA-OE2 3.44Å
21M93.7Very high94Very high16 Ų1668 Ų688%0.07934%0.342CS..  trans-78.3138.8178.9-156.6-77.4-67.400111.5R19 F23 I35 I107 I175 Y176 N178R19-M21 PolarHBondContact O-N 2.88Å; M21-F23 HydrophobicContact CE-CD1 3.72Å; M21-F23 HydrophobicContact CE-CE1 3.74Å; M21-I35 HydrophobicContact CE-CG1 4.05Å; M21-I107 HydrophobicContact CE-CB 4.26Å; M21-I107 HydrophobicContact CE-CD1 3.75Å; M21-I107 HydrophobicContact CE-CG1 4.18Å; M21-I175 HydrophobicContact CE-CG2 3.91Å; M21-Y176 VanDerWaalsContact O-O 3.14Å; M21-N178 VanDerWaalsContact O-CB 3.25Å; M21-N178 WeakPolarHBondContact O-CB 3.35Å; M21-N178 PolarHBondContact O-N 2.78Å
22R95.2Very high93.6Very high62 Ų6265 Ų6523%0.23433%0.33CS..  trans-112.8130.5-178.4162.7172.4171.5-148.6-11.2111.9E28 D177 N178 R179R22-E28 IonicContact CZ-OE1 3.54Å; R22-E28 IonicContact CZ-OE2 2.77Å; R22-E28 IonicContact NH1-OE2 2.69Å; R22-E28 IonicContact NH2-OE1 3.86Å; R22-E28 PolarHBondContact NH2-OE1 2.84Å; R22-E28 IonicContact NH2-OE2 3.15Å; R22-E28 PolarHBondContact NH2-OE2 3.12Å; R22-D177 WeakPolarHBondContact CA-OD1 3.29Å; R22-N178 HydrophobicContact CB-CB 4.34Å; R22-R179 HydrophobicContact CG-CB 4.09Å
23F96.8Very high93.2Very high1 Ų165.4 Ų65.40%0.00434%0.342CS..  trans-72149.6173.4-53.6-10.4000111M21 H77 I107 C109 V148 I175 D177M21-F23 HydrophobicContact CE-CD1 3.72Å; M21-F23 HydrophobicContact CE-CE1 3.74Å; F23-H77 AromaticContact CD2-CD2 3.61Å; F23-H77 AromaticContact CD2-NE2 3.75Å; F23-H77 AromaticContact CE2-CD2 3.86Å; F23-I107 HydrophobicContact CB-CG2 4.12Å; F23-I107 HydrophobicContact CD1-CB 3.75Å; F23-I107 HydrophobicContact CD1-CD1 4.05Å; F23-I107 HydrophobicContact CD1-CG1 4.49Å; F23-I107 HydrophobicContact CD1-CG2 3.67Å; F23-I107 HydrophobicContact CD2-CG2 4Å; F23-I107 HydrophobicContact CE1-CB 4.2Å; F23-I107 HydrophobicContact CE1-CD1 3.58Å; F23-I107 HydrophobicContact CE1-CG1 4.48Å; F23-I107 HydrophobicContact CE1-CG2 4.09Å; F23-I107 HydrophobicContact CE2-CG2 4.37Å; F23-I107 HydrophobicContact CG-CB 4.18Å; F23-I107 HydrophobicContact CG-CG2 3.65Å; F23-I107 HydrophobicContact CZ-CD1 4.15Å; F23-I107 HydrophobicContact CZ-CG2 4.42Å; F23-C109 HydrophobicContact CB-CB 3.94Å; F23-V148 HydrophobicContact CE2-CG1 4.13Å; F23-V148 HydrophobicContact CZ-CG1 4.21Å; F23-V148 HydrophobicContact CZ-CG2 4.17Å; F23-I175 HydrophobicContact CE1-CG2 4.13Å; F23-D177 HydrophobicContact CB-CB 4.42Å; F23-D177 HydrophobicContact CD1-CB 4.23Å; F23-D177 HydrophobicContact CD2-CB 3.63Å; F23-D177 HydrophobicContact CE1-CB 4.38Å; F23-D177 HydrophobicContact CE2-CB 3.82Å; F23-D177 HydrophobicContact CG-CB 3.85Å; F23-D177 HydrophobicContact CZ-CB 4.18Å; F23-D177 PolarHBondContact N-OD1 3.16Å
24R96.6Very high93Very high77 Ų7763.5 Ų63.529%0.29134%0.336SS..EExtended strand (participates in β ladder)trans-124.8130.1-169.7-62-60.9-179.1142.94.6113.9E28 A32 I107 R108 C109R24-E28 WeakPolarHBondContact CA-OE1 3.24Å; R24-E28 WeakPolarHBondContact CD-OE1 3.47Å; R24-E28 WeakPolarHBondContact CD-OE2 3.29Å; R24-E28 IonicContact CZ-OE2 2.73Å; R24-E28 IonicContact NE-OE2 3.57Å; R24-E28 IonicContact NH1-OE2 2.79Å; R24-E28 PolarHBondContact NH1-OE2 3.21Å; R24-A32 HydrophobicContact CB-CB 4.29Å; R24-A32 HydrophobicContact CG-CB 4.5Å; R24-I107 PolarHBondContact N-O 3Å; R24-R108 CarbonylContact O-C 3.54Å; R24-R108 WeakPolarHBondContact O-CA 3.45Å; R24-R108 WeakPolarHBondContact O-CG 3.33Å; R24-C109 PolarHBondContact O-N 3.22Å
25Y95.8Very high93Very high101 Ų10162.5 Ų62.540%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-72.8147174.9-71.3-76.3000111.2C27 E28 C109 K111Y25-C27 PolarHBondContact O-N 3.11Å; Y25-E28 PolarHBondContact N-OE1 3.24Å; Y25-E28 WeakPolarHBondContact O-CB 3.48Å; Y25-E28 PolarHBondContact O-N 3.28Å; Y25-C109 WeakPolarHBondContact CD1-O 3.42Å; Y25-K111 HydrophobicContact CD1-CG 3.94Å; Y25-K111 HydrophobicContact CE1-CG 3.73Å
26K92.6Very high92.9Very high175 Ų17562 Ų6276%0.76133%0.331SS*.G310 helixtrans-50.5-30.6174.9-172.1176.6178.1178.20113.3
27C92.6Very high92.9Very high96 Ų9662 Ų6265%0.64933%0.331SS*.G310 helixtrans-84.63.4179.6580000115.5Y25 G29Y25-C27 PolarHBondContact O-N 3.11Å; C27-G29 VanDerWaalsContact C-N 3.28Å; C27-G29 PolarHBondContact O-N 2.81Å
28E91.9Very high92.9Very high52 Ų5261.4 Ų61.424%0.24333%0.332CS..G310 helixtrans-77.6-9.9175.9-72-172.5-12200114.1R22 R24 Y25 R30R22-E28 IonicContact CZ-OE1 3.54Å; R22-E28 IonicContact CZ-OE2 2.77Å; R22-E28 IonicContact NH1-OE2 2.69Å; R22-E28 IonicContact NH2-OE1 3.86Å; R22-E28 PolarHBondContact NH2-OE1 2.84Å; R22-E28 IonicContact NH2-OE2 3.15Å; R22-E28 PolarHBondContact NH2-OE2 3.12Å; R24-E28 WeakPolarHBondContact CA-OE1 3.24Å; R24-E28 WeakPolarHBondContact CD-OE1 3.47Å; R24-E28 WeakPolarHBondContact CD-OE2 3.29Å; R24-E28 IonicContact CZ-OE2 2.73Å; R24-E28 IonicContact NE-OE2 3.57Å; R24-E28 IonicContact NH1-OE2 2.79Å; R24-E28 PolarHBondContact NH1-OE2 3.21Å; Y25-E28 PolarHBondContact N-OE1 3.24Å; Y25-E28 WeakPolarHBondContact O-CB 3.48Å; Y25-E28 PolarHBondContact O-N 3.28Å; E28-R30 PolarHBondContact O-N 3.12Å; E28-R30 VanDerWaalsContact O-N 3.07Å
29G81.8Confident92.9Very high77 Ų7765.1 Ų65.179%0.79435%0.349SS*.  trans65.311.3172.900000115.8C27C27-G29 VanDerWaalsContact C-N 3.28Å; C27-G29 PolarHBondContact O-N 2.81Å
30R82.3Confident92.9Very high217 Ų21764 Ų6482%0.81935%0.346SS*.SBendtrans-124.4165.5-179.5-62.4-177.7-174-143.9-0.7110.3E28E28-R30 PolarHBondContact O-N 3.12Å; E28-R30 VanDerWaalsContact O-N 3.07Å
31S87.1Confident93Very high101 Ų10166.3 Ų66.371%0.70636%0.356SS*.  trans-59152168.757.20000110.8G33S31-G33 PolarHBondContact O-N 3.39Å
32A87.5Confident92.8Very high13 Ų1372.3 Ų72.311%0.10739%0.388CS..  trans-76.919.9-177.600000113.9R24 V80R24-A32 HydrophobicContact CB-CB 4.29Å; R24-A32 HydrophobicContact CG-CB 4.5Å; A32-V80 HydrophobicContact CB-CG2 3.49Å; A32-V80 VanDerWaalsContact CB-CG2 3.49Å
33G90.3Very high92.8Very high39 Ų3977.4 Ų77.440%0.40242%0.42SS..  trans71.6-154.5-169.600000112.7S31S31-G33 PolarHBondContact O-N 3.39Å
34S94.2Very high92.7Very high42 Ų4282.4 Ų82.429%0.29445%0.447SS..  trans-142.1140.9167-59.40000108.8P36 N104 L105S34-P36 VanDerWaalsContact O-CD 3.29Å; S34-P36 WeakPolarHBondContact O-CD 3.3Å; S34-N104 WeakPolarHBondContact OG-CA 3.43Å; S34-L105 CarbonylContact C-O 3.46Å; S34-L105 WeakPolarHBondContact CA-O 3.46Å
35I97.3Very high92.6Very high1 Ų186.8 Ų86.81%0.00546%0.463CS..  trans-69.4115.6171.8-60.2158.4000107P16 M21 P48 L79 L105 I107 L150 I175P16-I35 HydrophobicContact CB-CG2 3.53Å; M21-I35 HydrophobicContact CE-CG1 4.05Å; I35-P48 HydrophobicContact CB-CG 4.26Å; I35-P48 HydrophobicContact CG2-CG 3.63Å; I35-P48 WeakPolarHBondContact O-CD 3.23Å; I35-L79 HydrophobicContact CD1-CD1 4.14Å; I35-L105 HydrophobicContact CD1-CB 4.06Å; I35-L105 WeakPolarHBondContact CG1-O 3.41Å; I35-L105 PolarHBondContact N-O 2.82Å; I35-I107 HydrophobicContact CD1-CD1 4.24Å; I35-I107 HydrophobicContact CD1-CG1 4.2Å; I35-L150 HydrophobicContact CD1-CD1 4.46Å; I35-L150 HydrophobicContact CD1-CD2 4.09Å; I35-I175 HydrophobicContact CD1-CD1 4.11Å; I35-I175 HydrophobicContact CG1-CD1 4.34Å; I35-I175 HydrophobicContact CG2-CD1 3.89Å
36P97.3Very high92.7Very high29 Ų2983.2 Ų83.219%0.18845%0.452CS..  trans-80.7157.6174.232.6-29.3000110.2R17 S34R17-P36 HydrophobicContact CB-CG 3.89Å; R17-P36 PolarHBondContact N-O 2.83Å; S34-P36 VanDerWaalsContact O-CD 3.29Å; S34-P36 WeakPolarHBondContact O-CD 3.3Å
37G97.7Very high92.9Very high0 Ų077.1 Ų77.10%042%0.424CS..BIsolated β-bridgetrans-66.5156.6168.300000112E14 Q15 H39 S40 T46E14-G37 WeakPolarHBondContact OE1-CA 3.28Å; Q15-G37 CarbonylContact O-C 3.47Å; Q15-G37 WeakPolarHBondContact O-CA 3.38Å; G37-H39 PolarHBondContact O-N 2.91Å; G37-S40 WeakPolarHBondContact O-CB 3.15Å; G37-S40 PolarHBondContact O-N 2.88Å; G37-T46 PolarHBondContact N-O 3.19Å
38E96.9Very high93.2Very high71 Ų7172.5 Ų72.533%0.33239%0.394SS..THydrogen-bonded Turntrans-57.8-36179.1-171.3162.6-117.800111.8Q15 N173Q15-E38 HydrophobicContact CB-CB 4.14Å; Q15-E38 WeakPolarHBondContact CB-OE2 3.44Å; Q15-E38 WeakPolarHBondContact O-CB 3.45Å; Q15-E38 PolarHBondContact O-N 3.02Å; E38-N173 PolarHBondContact OE1-ND2 2.83Å; E38-N173 VanDerWaalsContact OE1-ND2 3.1Å
39H95.9Very high93.4Very high138 Ų13870.1 Ų70.164%0.63938%0.383SS*.THydrogen-bonded Turntrans-94.47.5178.6-59.193.4000113.5E14 G37E14-H39 PolarHBondContact OE1-N 2.83Å; E14-H39 VanDerWaalsContact OE1-N 3.15Å; G37-H39 PolarHBondContact O-N 2.91Å
40S96Very high94.2Very high10 Ų1066.5 Ų66.57%0.0735%0.345CS..  trans-66.1136-179.6-175.70000110.9R17 G37 R45 T46R17-S40 PolarHBondContact NH2-O 2.85Å; G37-S40 WeakPolarHBondContact O-CB 3.15Å; G37-S40 PolarHBondContact O-N 2.88Å; S40-R45 WeakPolarHBondContact OG-CA 3.32Å; S40-T46 WeakPolarHBondContact CA-OG1 3.21Å; S40-T46 VanDerWaalsContact CB-OG1 3.3Å; S40-T46 WeakPolarHBondContact CB-OG1 3.14Å; S40-T46 PolarHBondContact N-OG1 2.79Å; S40-T46 PolarHBondContact OG-N 2.84Å
41T93.8Very high94.8Very high74 Ų7458.5 Ų58.545%0.45432%0.317SS..  trans-119.3172.8172.761.50000110.3N43 N44 R45T41-N43 VanDerWaalsContact C-N 3.31Å; T41-N44 PolarHBondContact N-O 2.84Å; T41-N44 CarbonylContact O-C 3.57Å; T41-N44 PolarHBondContact OG1-N 3.45Å; T41-N44 PolarHBondContact OG1-O 2.82Å; T41-N44 VanDerWaalsContact OG1-O 3.1Å; T41-R45 WeakPolarHBondContact O-CG 3.42Å
42D90.5Very high95.2Very high143 Ų14354.8 Ų54.877%0.76529%0.289SS*.SBendtrans-65.8-35.1174.9-72.8-53.3000112.7
43N93.7Very high95.5Very high169 Ų16956.5 Ų56.590%0.90430%0.295SS*.SBendtrans-82.5-38.3-179.1-67.7-9.6000112.8T41T41-N43 VanDerWaalsContact C-N 3.31Å
44N94.9Very high95.6Very high105 Ų10558.9 Ų58.956%0.56130%0.299SS*.SBendtrans-122.4100176.8-17937.7000109.3T41T41-N44 PolarHBondContact N-O 2.84Å; T41-N44 CarbonylContact O-C 3.57Å; T41-N44 PolarHBondContact OG1-N 3.45Å; T41-N44 PolarHBondContact OG1-O 2.82Å; T41-N44 VanDerWaalsContact OG1-O 3.1Å
45R95Very high95.4Very high169 Ų16959.6 Ų59.664%0.63830%0.295SS*.  trans-86.1120.5-179.3-69.7-177.2-176.7161.43.1110.9S40 T41 Y47S40-R45 WeakPolarHBondContact OG-CA 3.32Å; T41-R45 WeakPolarHBondContact O-CG 3.42Å; R45-Y47 HydrophobicContact CB-CE2 4.33Å
46T96.9Very high95Very high26 Ų2666.1 Ų66.116%0.1632%0.321CS..  trans-118.2170.817970.20000109.8E14 G37 S40E14-T46 VanDerWaalsContact CD-OG1 3.25Å; E14-T46 WeakPolarHBondContact OE1-CB 3.47Å; E14-T46 PolarHBondContact OE1-OG1 3.02Å; E14-T46 WeakPolarHBondContact OE2-CB 3.03Å; E14-T46 PolarHBondContact OE2-OG1 2.82Å; G37-T46 PolarHBondContact N-O 3.19Å; S40-T46 WeakPolarHBondContact CA-OG1 3.21Å; S40-T46 VanDerWaalsContact CB-OG1 3.3Å; S40-T46 WeakPolarHBondContact CB-OG1 3.14Å; S40-T46 PolarHBondContact N-OG1 2.79Å; S40-T46 PolarHBondContact OG-N 2.84Å
47Y97.4Very high94.6Very high47 Ų4765.3 Ų65.318%0.18432%0.318CS..  trans-149151-163.5-63.7-84000110.8E14 R45 S49 Q103E14-Y47 PolarHBondContact OE2-N 2.65Å; E14-Y47 VanDerWaalsContact OE2-O 3.08Å; R45-Y47 HydrophobicContact CB-CE2 4.33Å; Y47-S49 PolarHBondContact O-N 3.01Å; Y47-Q103 HydrophobicContact CD1-CB 4.31Å; Y47-Q103 HydrophobicContact CD1-CG 4.22Å; Y47-Q103 HydrophobicContact CD2-CG 3.72Å; Y47-Q103 HydrophobicContact CE1-CB 4.44Å; Y47-Q103 HydrophobicContact CE2-CG 4.06Å; Y47-Q103 HydrophobicContact CG-CB 4.39Å; Y47-Q103 HydrophobicContact CG-CG 3.82Å
48P98.1Very high94.3Very high0 Ų070.3 Ų70.30%034%0.34CS..  trans-50.2129.9175.8-23.632.2000110.7E14 P16 I35 F102 L150E14-P48 WeakPolarHBondContact O-CA 3.34Å; P16-P48 HydrophobicContact CB-CG 3.9Å; I35-P48 HydrophobicContact CB-CG 4.26Å; I35-P48 HydrophobicContact CG2-CG 3.63Å; I35-P48 WeakPolarHBondContact O-CD 3.23Å; P48-F102 VanDerWaalsContact O-CD2 3.27Å; P48-F102 WeakPolarHBondContact O-CD2 3.44Å; P48-F102 PolarHBondContact O-N 2.89Å; P48-L150 HydrophobicContact CB-CD1 4.15Å; P48-L150 HydrophobicContact CG-CD1 4.3Å
49S97.6Very high94.1Very high2 Ų267 Ų671%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-146.3147-176.763.50000113.4I13 E14 Y47 L100I13-S49 PolarHBondContact N-O 2.74Å; E14-S49 WeakPolarHBondContact CB-OG 3.24Å; E14-S49 PolarHBondContact N-O 2.72Å; E14-S49 VanDerWaalsContact N-O 3.14Å; E14-S49 PolarHBondContact N-OG 3.03Å; E14-S49 PolarHBondContact O-N 2.91Å; Y47-S49 PolarHBondContact O-N 3.01Å; S49-L100 WeakPolarHBondContact CA-O 3.5Å; S49-L100 WeakPolarHBondContact CB-O 3.49Å
50I97.6Very high94.1Very high0 Ų062.3 Ų62.30%030%0.303CS..EExtended strand (participates in β ladder)trans-128.3156177.772.3-172.9000111I10 E11 I12 V61 P99 L100 F102 F152 V154I10-I50 HydrophobicContact CG2-CB 3.93Å; I10-I50 HydrophobicContact CG2-CD1 3.89Å; I10-I50 HydrophobicContact CG2-CG1 4.31Å; I10-I50 HydrophobicContact CG2-CG2 4.15Å; E11-I50 CarbonylContact O-C 3.6Å; E11-I50 WeakPolarHBondContact O-CA 3.27Å; E11-I50 WeakPolarHBondContact O-CB 3.29Å; I12-I50 HydrophobicContact CG1-CG2 4.07Å; I50-V61 HydrophobicContact CD1-CG2 3.85Å; I50-P99 CarbonylContact O-C 3.48Å; I50-P99 VanDerWaalsContact O-CA 3.32Å; I50-P99 WeakPolarHBondContact O-CA 3.14Å; I50-L100 HydrophobicContact CG1-CB 4.31Å; I50-L100 HydrophobicContact CG1-CD1 4.46Å; I50-L100 PolarHBondContact N-O 3.13Å; I50-L100 PolarHBondContact O-N 2.86Å; I50-F102 HydrophobicContact CB-CE2 4.37Å; I50-F102 HydrophobicContact CD1-CE2 3.94Å; I50-F102 HydrophobicContact CD1-CZ 3.83Å; I50-F102 HydrophobicContact CG1-CE2 3.76Å; I50-F102 HydrophobicContact CG1-CZ 3.86Å; I50-F102 HydrophobicContact CG2-CE2 4.14Å; I50-F152 HydrophobicContact CD1-CB 4.2Å; I50-F152 HydrophobicContact CD1-CD1 3.95Å; I50-F152 HydrophobicContact CD1-CG 4.3Å; I50-F152 HydrophobicContact CG2-CD1 3.66Å; I50-F152 HydrophobicContact CG2-CD2 3.98Å; I50-F152 HydrophobicContact CG2-CE1 3.75Å; I50-F152 HydrophobicContact CG2-CE2 4.05Å; I50-F152 HydrophobicContact CG2-CG 3.79Å; I50-F152 HydrophobicContact CG2-CZ 3.95Å; I50-V154 HydrophobicContact CD1-CG2 4.26Å
51Q95.8Very high94.1Very high50 Ų5062 Ų6223%0.23430%0.3CS..EExtended strand (participates in β ladder)trans-123.9140.9168-171168.5-54.200109.2E11 I13 M53E11-Q51 PolarHBondContact N-O 2.88Å; E11-Q51 PolarHBondContact O-N 3.25Å; I13-Q51 HydrophobicContact CD1-CB 3.88Å; I13-Q51 HydrophobicContact CG1-CB 3.65Å; Q51-M53 HydrophobicContact CB-SD 4.44Å; Q51-M53 HydrophobicContact CG-SD 3.97Å; Q51-M53 PolarHBondContact NE2-SD 2.9Å
52I95.3Very high94.2Very high22 Ų2260.8 Ų60.811%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-91107.3173-54.774.9000106.8Y9 Y55 F93 L100 V154 L167Y9-I52 CarbonylContact O-C 3.6Å; Y9-I52 WeakPolarHBondContact O-CA 3.47Å; I52-Y55 HydrophobicContact CG2-CD1 4.36Å; I52-Y55 HydrophobicContact CG2-CG 4.22Å; I52-F93 HydrophobicContact CD1-CE1 4.12Å; I52-F93 HydrophobicContact CD1-CE2 4.14Å; I52-F93 HydrophobicContact CD1-CZ 3.84Å; I52-F93 HydrophobicContact CG1-CE2 4.46Å; I52-F93 HydrophobicContact CG1-CZ 3.97Å; I52-L100 HydrophobicContact CD1-CD1 3.71Å; I52-L100 HydrophobicContact CD1-CG 4.24Å; I52-V154 HydrophobicContact CG1-CG1 4.05Å; I52-V154 HydrophobicContact CG1-CG2 4.15Å; I52-L167 HydrophobicContact CG2-CD1 3.8Å
53M93.8Very high94.6Very high49 Ų4954 Ų5424%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-80.6150.1-177.9-63.4-60.6-92.600110.6P8 Y9 E11 Q51 Y55P8-M53 VanDerWaalsContact CA-O 3.24Å; P8-M53 WeakPolarHBondContact CA-O 3.48Å; Y9-M53 HydrophobicContact CD1-CB 3.93Å; Y9-M53 HydrophobicContact CD2-CB 4.13Å; Y9-M53 HydrophobicContact CD2-CG 4.39Å; Y9-M53 HydrophobicContact CE1-CB 3.53Å; Y9-M53 HydrophobicContact CE1-CG 4.32Å; Y9-M53 HydrophobicContact CE2-CB 3.73Å; Y9-M53 HydrophobicContact CE2-CG 3.72Å; Y9-M53 HydrophobicContact CG-CB 4.21Å; Y9-M53 PolarHBondContact N-O 3.14Å; Y9-M53 PolarHBondContact O-N 3.07Å; E11-M53 HydrophobicContact CB-CG 3.87Å; E11-M53 WeakPolarHBondContact OE2-CE 3.49Å; E11-M53 WeakPolarHBondContact OE2-CG 3.44Å; Q51-M53 HydrophobicContact CB-SD 4.44Å; Q51-M53 HydrophobicContact CG-SD 3.97Å; Q51-M53 PolarHBondContact NE2-SD 2.9Å; M53-Y55 PolarHBondContact O-N 2.87Å
54N92Very high94.8Very high89 Ų8946 Ų4648%0.47621%0.208SC..THydrogen-bonded Turntrans56.613.2-176-48.2-47.7000115.9Y6 N7 Y9Y6-N54 VanDerWaalsContact CB-CG 3.48Å; Y6-N54 VanDerWaalsContact CB-ND2 3.29Å; Y6-N54 WeakPolarHBondContact CB-ND2 3.44Å; Y6-N54 VanDerWaalsContact O-CB 3.27Å; Y6-N54 WeakPolarHBondContact O-CB 3.38Å; N7-N54 PolarHBondContact O-ND2 3.35Å; Y9-N54 WeakPolarHBondContact CE1-ND2 2.97Å
55Y89.8Confident94.9Very high57 Ų5741 Ų4122%0.22418%0.181CC..  trans-112.9151176.7-168.1-114.1000112.6I52 M53 G57 K58 F93 L156 P157I52-Y55 HydrophobicContact CG2-CD1 4.36Å; I52-Y55 HydrophobicContact CG2-CG 4.22Å; M53-Y55 PolarHBondContact O-N 2.87Å; Y55-G57 WeakPolarHBondContact CE1-O 3.34Å; Y55-K58 PolarHBondContact OH-O 2.79Å; Y55-F93 HydrophobicContact CD1-CE2 4.31Å; Y55-F93 HydrophobicContact CE1-CE2 4.24Å; Y55-L156 HydrophobicContact CD1-CD2 3.84Å; Y55-L156 HydrophobicContact CD2-CD1 3.69Å; Y55-L156 HydrophobicContact CD2-CD2 4.43Å; Y55-L156 HydrophobicContact CE1-CD2 3.69Å; Y55-L156 HydrophobicContact CE2-CD1 3.83Å; Y55-L156 HydrophobicContact CE2-CD2 4.31Å; Y55-L156 HydrophobicContact CE2-CG 4.48Å; Y55-L156 HydrophobicContact CG-CD1 4.07Å; Y55-L156 HydrophobicContact CG-CD2 4.23Å; Y55-P157 WeakPolarHBondContact OH-CD 3.37Å; Y55-P157 WeakPolarHBondContact OH-CG 3.39Å
56Y88.4Confident95Very high138 Ų13833 Ų3354%0.54115%0.151SC..  trans-151.2103.6169.8-174.8-96.9000109.4Q95 R97Y56-Q95 HydrophobicContact CE1-CB 4.43Å; Y56-Q95 WeakPolarHBondContact CE2-O 3.29Å; Y56-Q95 VanDerWaalsContact CZ-O 3.28Å; Y56-Q95 PolarHBondContact OH-O 2.73Å; Y56-R97 HydrophobicContact CD2-CG 3.58Å; Y56-R97 HydrophobicContact CE2-CG 3.96Å
57G89.1Confident95Very high12 Ų1232.7 Ų32.712%0.12415%0.149CC..SBendtrans170-179.3-175.100000111.6Y55Y55-G57 WeakPolarHBondContact CE1-O 3.34Å
58K91.8Very high94.9Very high106 Ų10633.9 Ų33.946%0.46116%0.156SC..  trans-74.2154.9169.465.1171.6-173.4164.80110.2Y55 F93 P157Y55-K58 PolarHBondContact OH-O 2.79Å; K58-F93 CarbonylContact C-O 3.54Å; K58-F93 VanDerWaalsContact CA-O 3.27Å; K58-F93 WeakPolarHBondContact CA-O 3.39Å; K58-P157 HydrophobicContact CG-CG 4.19Å; K58-P157 WeakPolarHBondContact O-CD 3.08Å; K58-P157 WeakPolarHBondContact O-CG 3.38Å
59G93.6Very high94.5Very high2 Ų239.1 Ų39.12%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-166.6-172.9171.500000111.9E92 F93G59-E92 CarbonylContact O-C 3.59Å; G59-E92 VanDerWaalsContact O-CA 3.29Å; G59-E92 WeakPolarHBondContact O-CA 3.48Å; G59-F93 PolarHBondContact N-O 2.92Å; G59-F93 WeakPolarHBondContact O-CD1 3.16Å; G59-F93 PolarHBondContact O-N 2.87Å
60K95.1Very high94.1Very high39 Ų3944.7 Ų44.717%0.1721%0.213CC..EExtended strand (participates in β ladder)trans-132.5130178.6-168.4172.170.6167.40111.3E90 A91 E92 V154 F155 L163K60-E90 HydrophobicContact CD-CG 3.73Å; K60-E90 WeakPolarHBondContact CD-OE2 3.46Å; K60-E90 VanDerWaalsContact CE-OE2 3.29Å; K60-E90 WeakPolarHBondContact CE-OE2 3.35Å; K60-E90 HydrophobicContact CG-CG 3.88Å; K60-E90 IonicContact NZ-OE1 2.74Å; K60-E90 IonicContact NZ-OE2 2.69Å; K60-E90 PolarHBondContact NZ-OE2 3.31Å; K60-A91 WeakPolarHBondContact CA-O 3.45Å; K60-A91 WeakPolarHBondContact CG-O 3.42Å; K60-E92 HydrophobicContact CB-CG 4.18Å; K60-E92 HydrophobicContact CD-CG 4.11Å; K60-E92 HydrophobicContact CG-CG 4Å; K60-V154 WeakPolarHBondContact O-CA 3.45Å; K60-F155 PolarHBondContact N-O 3.29Å; K60-F155 PolarHBondContact O-N 3.3Å; K60-L163 HydrophobicContact CB-CD1 3.77Å; K60-L163 HydrophobicContact CB-CD2 4.32Å; K60-L163 HydrophobicContact CD-CD1 3.94Å; K60-L163 HydrophobicContact CG-CD1 4.47Å
61V96.1Very high93.8Very high3 Ų347.2 Ų47.22%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-104.2137.2173.956.50000109.8I50 I63 Y89 E90 A91 F93 L100 F102 Q153 V154I50-V61 HydrophobicContact CD1-CG2 3.85Å; V61-I63 HydrophobicContact CG2-CG1 4.27Å; V61-Y89 HydrophobicContact CG1-CE1 4.17Å; V61-E90 WeakPolarHBondContact O-CA 3.36Å; V61-A91 WeakPolarHBondContact CG1-O 3.4Å; V61-A91 PolarHBondContact N-O 2.93Å; V61-A91 PolarHBondContact O-N 2.59Å; V61-F93 HydrophobicContact CB-CD1 4.41Å; V61-F93 HydrophobicContact CG1-CD1 4.36Å; V61-L100 HydrophobicContact CB-CD1 4.3Å; V61-L100 HydrophobicContact CG1-CD1 3.97Å; V61-F102 HydrophobicContact CG1-CE1 3.97Å; V61-F102 HydrophobicContact CG1-CZ 4.26Å; V61-F102 HydrophobicContact CG2-CE1 4.3Å; V61-F102 HydrophobicContact CG2-CZ 3.96Å; V61-Q153 WeakPolarHBondContact CA-O 3.48Å; V61-V154 HydrophobicContact CB-CG2 4.29Å; V61-V154 HydrophobicContact CG2-CG2 4.28Å
62R96.8Very high93.7Very high49 Ų4947.2 Ų47.219%0.18523%0.228CC..EExtended strand (participates in β ladder)trans-121.5138.4170.4179.6-174.9-70.8179.8-5.2108.9T64 Y88 Y89 E90 Q153 F155R62-T64 HydrophobicContact CG-CG2 4.15Å; R62-Y88 HydrophobicContact CG-CD2 3.96Å; R62-Y89 CarbonylContact C-O 3.4Å; R62-Y89 VanDerWaalsContact CA-O 3.24Å; R62-Y89 WeakPolarHBondContact CA-O 3.34Å; R62-E90 HydrophobicContact CB-CG 4.41Å; R62-E90 IonicContact CZ-OE1 2.72Å; R62-E90 IonicContact NE-OE1 3.77Å; R62-E90 PolarHBondContact NE-OE1 3.2Å; R62-E90 IonicContact NH2-OE1 3.66Å; R62-E90 PolarHBondContact NH2-OE1 3.24Å; R62-Q153 HydrophobicContact CB-CB 4.37Å; R62-Q153 PolarHBondContact N-O 3.47Å; R62-Q153 PolarHBondContact O-N 3.29Å; R62-F155 HydrophobicContact CB-CE2 4.01Å
63I98.1Very high93.7Very high0 Ų047.7 Ų47.70%023%0.229CC..EExtended strand (participates in β ladder)trans-124.2126.7174.3-47.3170.9000109.2V61 L79 Y88 Y89 F102 L105 L150 C151 F152V61-I63 HydrophobicContact CG2-CG1 4.27Å; I63-L79 HydrophobicContact CB-CD2 3.94Å; I63-L79 HydrophobicContact CG2-CD2 3.94Å; I63-Y88 WeakPolarHBondContact O-CA 3.38Å; I63-Y88 WeakPolarHBondContact O-CB 3.24Å; I63-Y89 HydrophobicContact CB-CD1 4.39Å; I63-Y89 HydrophobicContact CD1-CD1 3.75Å; I63-Y89 HydrophobicContact CD1-CE1 4.23Å; I63-Y89 HydrophobicContact CD1-CG 4.37Å; I63-Y89 HydrophobicContact CG1-CD1 3.87Å; I63-Y89 PolarHBondContact N-O 2.94Å; I63-Y89 PolarHBondContact O-N 3.32Å; I63-F102 HydrophobicContact CD1-CB 4.13Å; I63-F102 HydrophobicContact CD1-CD1 3.57Å; I63-F102 HydrophobicContact CD1-CD2 3.64Å; I63-F102 HydrophobicContact CD1-CE1 3.84Å; I63-F102 HydrophobicContact CD1-CE2 3.88Å; I63-F102 HydrophobicContact CD1-CG 3.47Å; I63-F102 VanDerWaalsContact CD1-CG 3.47Å; I63-F102 HydrophobicContact CD1-CZ 3.98Å; I63-L105 HydrophobicContact CD1-CD1 4.08Å; I63-L150 HydrophobicContact CG2-CB 3.95Å; I63-L150 HydrophobicContact CG2-CD2 4.31Å; I63-C151 WeakPolarHBondContact CA-O 3.25Å; I63-F152 HydrophobicContact CD1-CD1 3.86Å; I63-F152 HydrophobicContact CD1-CE1 3.7Å; I63-F152 HydrophobicContact CG1-CD1 3.73Å; I63-F152 HydrophobicContact CG1-CE1 4.07Å; I63-F152 HydrophobicContact CG2-CD1 4.3Å; I63-F152 HydrophobicContact CG2-CE1 4.3Å
64T97.7Very high93.7Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-124.3153.2-179550000109.7R62 I127 P129 C151R62-T64 HydrophobicContact CG-CG2 4.15Å; T64-I127 HydrophobicContact CG2-CG2 3.72Å; T64-P129 WeakPolarHBondContact OG1-CG 3.31Å; T64-C151 PolarHBondContact N-O 3.07Å; T64-C151 PolarHBondContact O-N 3Å
65L98Very high93.9Very high1 Ų141.5 Ų41.51%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-86.7134.5171.9-60-173.9000109.8H75 H77 L79 I107 V148 R149 L150L65-H75 HydrophobicContact CB-CB 3.83Å; L65-H75 PolarHBondContact O-N 3.14Å; L65-H77 HydrophobicContact CD1-CB 3.98Å; L65-L79 HydrophobicContact CD1-CB 4.45Å; L65-L79 HydrophobicContact CD2-CB 4.46Å; L65-L79 HydrophobicContact CD2-CD1 4.22Å; L65-L79 HydrophobicContact CG-CB 4.16Å; L65-I107 HydrophobicContact CD1-CG1 4.16Å; L65-I107 HydrophobicContact CD1-CG2 4.08Å; L65-V148 HydrophobicContact CD1-CG1 4.4Å; L65-V148 HydrophobicContact CD2-CB 4.49Å; L65-V148 HydrophobicContact CD2-CG2 4.02Å; L65-R149 WeakPolarHBondContact CA-O 3.25Å; L65-L150 HydrophobicContact CD2-CD2 3.54Å
66V97Very high94.2Very high0 Ų038.8 Ų38.80%019%0.186CC..EExtended strand (participates in β ladder)trans-130.5165.7176.1-60.20000111.7Y72 K73 P129 R149 C151 V171V66-Y72 HydrophobicContact CG2-CD1 4.31Å; V66-K73 CarbonylContact C-O 3.57Å; V66-K73 WeakPolarHBondContact CA-O 3.42Å; V66-K73 WeakPolarHBondContact CB-O 3.32Å; V66-P129 HydrophobicContact CG1-CG 4.31Å; V66-R149 HydrophobicContact CG2-CB 3.97Å; V66-R149 PolarHBondContact N-O 2.88Å; V66-R149 PolarHBondContact O-N 3.24Å; V66-C151 HydrophobicContact CG1-CB 3.71Å; V66-C151 HydrophobicContact CG2-CB 3.96Å; V66-V171 HydrophobicContact CG2-CG1 3.81Å
67T95.9Very high94.7Very high20 Ų2032.3 Ų32.312%0.12316%0.161CC..  trans-62.3161.8178.149.20000113.5N69 Y72 K73T67-N69 VanDerWaalsContact C-N 3.33Å; T67-N69 PolarHBondContact O-N 3.11Å; T67-N69 PolarHBondContact OG1-O 2.87Å; T67-N69 VanDerWaalsContact OG1-O 3.14Å; T67-Y72 WeakPolarHBondContact O-CD1 3.41Å; T67-K73 HydrophobicContact CG2-CB 3.9Å; T67-K73 HydrophobicContact CG2-CG 4.47Å; T67-K73 PolarHBondContact N-O 3.15Å; T67-K73 PolarHBondContact OG1-N 3.26Å
68K94.4Very high95Very high73 Ų7333.5 Ų33.532%0.31717%0.165SC..SBendtrans-64.6-35.6176.9-177.2-175.4174.9170.50113.3V147 R149 P174 Y176K68-V147 HydrophobicContact CB-CG1 3.76Å; K68-V147 HydrophobicContact CB-CG2 4.02Å; K68-V147 HydrophobicContact CD-CG1 4.09Å; K68-V147 HydrophobicContact CD-CG2 4.11Å; K68-V147 HydrophobicContact CG-CG1 4.4Å; K68-V147 HydrophobicContact CG-CG2 4.11Å; K68-R149 PolarHBondContact O-NE 2.92Å; K68-R149 PolarHBondContact O-NH2 3Å; K68-R149 VanDerWaalsContact O-NH2 3.17Å; K68-P174 HydrophobicContact CG-CB 4.45Å; K68-Y176 VanDerWaalsContact CE-OH 3.28Å; K68-Y176 WeakPolarHBondContact CE-OH 3.31Å; K68-Y176 PolarHBondContact NZ-OH 2.73Å
69N91.6Very high95.3Very high109 Ų10928.5 Ų28.558%0.58314%0.143SC*.SBendtrans-111.8157.8-170.3-58.5-11.4000111T67 P71 Y72T67-N69 VanDerWaalsContact C-N 3.33Å; T67-N69 PolarHBondContact O-N 3.11Å; T67-N69 PolarHBondContact OG1-O 2.87Å; T67-N69 VanDerWaalsContact OG1-O 3.14Å; N69-P71 CarbonylContact O-C 3.53Å; N69-Y72 WeakPolarHBondContact O-CD1 3.27Å
70D88.6Confident95.4Very high119 Ų11929.3 Ų29.364%0.63615%0.147SC*.SBendtrans-77.9145.8168.8-166.4-102000110.9Y72D70-Y72 HydrophobicContact CB-CE2 4.44Å
71P90.3Very high95.4Very high54 Ų5429.4 Ų29.435%0.35116%0.159SC..SBendcis-65.4129.9-7.728.4-34.8000111.3N69 K73 V132N69-P71 CarbonylContact O-C 3.53Å; P71-K73 WeakPolarHBondContact O-CG 3.11Å; P71-K73 PolarHBondContact O-N 2.98Å; P71-V132 HydrophobicContact CB-CG1 4.33Å; P71-V132 HydrophobicContact CB-CG2 4.05Å; P71-V132 HydrophobicContact CG-CG1 4.44Å
72Y94.2Very high95.3Very high50 Ų5035 Ų3520%0.19618%0.184CC..  trans-67.788.5-174.8-66.6-65.2000112.3V66 T67 N69 D70 F130 V171V66-Y72 HydrophobicContact CG2-CD1 4.31Å; T67-Y72 WeakPolarHBondContact O-CD1 3.41Å; N69-Y72 WeakPolarHBondContact O-CD1 3.27Å; D70-Y72 HydrophobicContact CB-CE2 4.44Å; Y72-F130 HydrophobicContact CD2-CD1 4.46Å; Y72-F130 HydrophobicContact CD2-CD2 4.43Å; Y72-F130 HydrophobicContact CD2-CE1 4.14Å; Y72-F130 HydrophobicContact CD2-CE2 4.11Å; Y72-F130 AromaticContact CD2-CZ 3.99Å; Y72-F130 HydrophobicContact CD2-CZ 3.99Å; Y72-F130 HydrophobicContact CG-CD2 4.43Å; Y72-F130 HydrophobicContact CG-CE2 4.24Å; Y72-V171 HydrophobicContact CD1-CG1 4.49Å; Y72-V171 HydrophobicContact CD2-CG2 4.05Å; Y72-V171 HydrophobicContact CE1-CG1 4.33Å; Y72-V171 HydrophobicContact CE2-CG2 4.07Å; Y72-V171 HydrophobicContact CG-CG2 4.41Å
73K94.6Very high95.3Very high31 Ų3136 Ų3614%0.13519%0.192CC..PPolyproline II helixtrans-71.3147.5177.1-46.3-172.3-169.6-177.40110.2V66 T67 P71 H75 Q136 L137 D139V66-K73 CarbonylContact C-O 3.57Å; V66-K73 WeakPolarHBondContact CA-O 3.42Å; V66-K73 WeakPolarHBondContact CB-O 3.32Å; T67-K73 HydrophobicContact CG2-CB 3.9Å; T67-K73 HydrophobicContact CG2-CG 4.47Å; T67-K73 PolarHBondContact N-O 3.15Å; T67-K73 PolarHBondContact OG1-N 3.26Å; P71-K73 WeakPolarHBondContact O-CG 3.11Å; P71-K73 PolarHBondContact O-N 2.98Å; K73-H75 PolarHBondContact O-N 3.08Å; K73-Q136 WeakPolarHBondContact CD-O 3.4Å; K73-Q136 VanDerWaalsContact CE-O 3.27Å; K73-Q136 WeakPolarHBondContact CE-O 3.49Å; K73-Q136 PolarHBondContact NZ-O 3Å; K73-L137 HydrophobicContact CB-CD2 3.8Å; K73-L137 HydrophobicContact CD-CD2 4.39Å; K73-L137 HydrophobicContact CG-CD2 4.06Å; K73-D139 PolarHBondContact NZ-O 3.04Å
74P95.1Very high95.1Very high6 Ų637.4 Ų37.44%0.03920%0.202CC..BIsolated β-bridgetrans-56.3132.7167.6-22.934.5000111.3I119 R122 I127 L137P74-I119 VanDerWaalsContact O-CD1 3.3Å; P74-I119 WeakPolarHBondContact O-CD1 3.48Å; P74-R122 HydrophobicContact CB-CB 4.23Å; P74-I127 WeakPolarHBondContact CG-O 3.24Å; P74-L137 VanDerWaalsContact CD-CD2 3.49Å
75H96.6Very high94.9Very high2 Ų242.7 Ų42.71%0.00922%0.222CC..PPolyproline II helixtrans-85.1143.5-179.4-160.8-86.8000111.3L65 K73 H77 D144 L145 V147 V148L65-H75 HydrophobicContact CB-CB 3.83Å; L65-H75 PolarHBondContact O-N 3.14Å; K73-H75 PolarHBondContact O-N 3.08Å; H75-H77 VanDerWaalsContact C-N 3.28Å; H75-H77 AromaticContact CE1-CD2 2.61Å; H75-H77 PolarHBondContact CE1-CD2 3.29Å; H75-H77 AromaticContact CE1-CE1 3Å; H75-H77 PolarHBondContact CE1-CE1 2.84Å; H75-H77 AromaticContact CE1-CG 2.91Å; H75-H77 AromaticContact CE1-ND1 3.19Å; H75-H77 PolarHBondContact CE1-ND1 3.1Å; H75-H77 AromaticContact CE1-NE2 2.66Å; H75-H77 PolarHBondContact CE1-NE2 2.84Å; H75-H77 WeakPolarHBondContact ND1-CB 3.33Å; H75-H77 AromaticContact ND1-CD2 3.7Å; H75-H77 AromaticContact ND1-CG 3.48Å; H75-H77 PolarHBondContact ND1-N 3.21Å; H75-H77 VanDerWaalsContact ND1-N 3.16Å; H75-H77 PolarHBondContact O-N 2.99Å; H75-D144 PolarHBondContact NE2-O 2.83Å; H75-L145 WeakPolarHBondContact NE2-CA 2.99Å; H75-V147 PolarHBondContact NE2-O 2.9Å; H75-V148 HydrophobicContact CB-CG1 4.48Å
76P96.1Very high94.6Very high0 Ų048.3 Ų48.30%025%0.252CS..SBendtrans-71.4-13.7-179.930.7-40.4000115V110 V115 A118 I119 C143 L145P76-V110 HydrophobicContact CB-CG2 3.92Å; P76-V110 HydrophobicContact CG-CG2 4.39Å; P76-V110 WeakPolarHBondContact O-CG1 3.31Å; P76-V115 HydrophobicContact CB-CB 4.41Å; P76-V115 HydrophobicContact CB-CG1 3.95Å; P76-V115 HydrophobicContact CB-CG2 4.41Å; P76-V115 HydrophobicContact CG-CG1 3.92Å; P76-V115 HydrophobicContact CG-CG2 4.32Å; P76-A118 HydrophobicContact CB-CB 3.87Å; P76-A118 WeakPolarHBondContact O-CB 3.37Å; P76-I119 HydrophobicContact CB-CD1 4.15Å; P76-I119 HydrophobicContact CB-CG1 4.27Å; P76-C143 WeakPolarHBondContact CD-SG 3.46Å; P76-L145 HydrophobicContact CG-CD2 3.64Å
77H97.4Very high94.4Very high2 Ų248.6 Ų48.61%0.00926%0.255CS..SBendtrans-76154.5175.8-67.6-13000112.3F23 L65 H75 I107 R108 C109 V110 R122 L145F23-H77 AromaticContact CD2-CD2 3.61Å; F23-H77 AromaticContact CD2-NE2 3.75Å; F23-H77 AromaticContact CE2-CD2 3.86Å; L65-H77 HydrophobicContact CD1-CB 3.98Å; H75-H77 VanDerWaalsContact C-N 3.28Å; H75-H77 AromaticContact CE1-CD2 2.61Å; H75-H77 PolarHBondContact CE1-CD2 3.29Å; H75-H77 AromaticContact CE1-CE1 3Å; H75-H77 PolarHBondContact CE1-CE1 2.84Å; H75-H77 AromaticContact CE1-CG 2.91Å; H75-H77 AromaticContact CE1-ND1 3.19Å; H75-H77 PolarHBondContact CE1-ND1 3.1Å; H75-H77 AromaticContact CE1-NE2 2.66Å; H75-H77 PolarHBondContact CE1-NE2 2.84Å; H75-H77 WeakPolarHBondContact ND1-CB 3.33Å; H75-H77 AromaticContact ND1-CD2 3.7Å; H75-H77 AromaticContact ND1-CG 3.48Å; H75-H77 PolarHBondContact ND1-N 3.21Å; H75-H77 VanDerWaalsContact ND1-N 3.16Å; H75-H77 PolarHBondContact O-N 2.99Å; H77-I107 HydrophobicContact CB-CG2 4.12Å; H77-R108 WeakPolarHBondContact CB-O 3.44Å; H77-C109 VanDerWaalsContact CE1-CB 3.44Å; H77-C109 WeakPolarHBondContact CE1-CB 3.45Å; H77-C109 WeakPolarHBondContact ND1-CA 3.39Å; H77-V110 PolarHBondContact ND1-N 3.34Å; H77-R122 PolarHBondContact O-NH2 2.77Å; H77-L145 PolarHBondContact NE2-O 3.28Å
78D96.9Very high94.4Very high38 Ų3848.7 Ų48.720%0.20325%0.253CS..EExtended strand (participates in β ladder)trans-95.6130.1179.4-64.2-27.9000111.9V80 R108 R122D78-V80 HydrophobicContact CB-CG1 3.71Å; D78-R108 HydrophobicContact CB-CB 4.16Å; D78-R108 PolarHBondContact N-O 3.15Å; D78-R108 PolarHBondContact O-N 2.99Å; D78-R122 IonicContact OD1-CZ 3.78Å; D78-R122 IonicContact OD1-NH2 3.19Å; D78-R122 PolarHBondContact OD1-NH2 2.79Å
79L97.3Very high94.6Very high0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-76.7124159.4-168.462.9000108.6I35 I63 L65 G87 L105 L150I35-L79 HydrophobicContact CD1-CD1 4.14Å; I63-L79 HydrophobicContact CB-CD2 3.94Å; I63-L79 HydrophobicContact CG2-CD2 3.94Å; L65-L79 HydrophobicContact CD1-CB 4.45Å; L65-L79 HydrophobicContact CD2-CB 4.46Å; L65-L79 HydrophobicContact CD2-CD1 4.22Å; L65-L79 HydrophobicContact CG-CB 4.16Å; L79-G87 PolarHBondContact N-O 3.05Å; L79-G87 VanDerWaalsContact N-O 3.08Å; L79-G87 CarbonylContact O-C 3.59Å; L79-G87 WeakPolarHBondContact O-CA 3.36Å; L79-L105 HydrophobicContact CD1-CB 4.12Å; L79-L105 HydrophobicContact CD1-CD1 4.28Å; L79-L105 HydrophobicContact CD1-CD2 4.46Å; L79-L105 HydrophobicContact CD2-CD1 4.17Å; L79-L105 HydrophobicContact CD2-CD2 4.34Å; L79-L105 HydrophobicContact CG-CD2 4.27Å; L79-L150 HydrophobicContact CD1-CD2 4.45Å
80V96.5Very high94.8Very high19 Ų1941.9 Ų41.912%0.11522%0.218CC..EExtended strand (participates in β ladder)trans-137142.5-173.6-58.20000110.9A32 D78 G106 R108A32-V80 HydrophobicContact CB-CG2 3.49Å; A32-V80 VanDerWaalsContact CB-CG2 3.49Å; D78-V80 HydrophobicContact CB-CG1 3.71Å; V80-G106 WeakPolarHBondContact CG2-O 3.2Å; V80-G106 PolarHBondContact N-O 3.49Å; V80-G106 PolarHBondContact O-N 2.99Å; V80-G106 VanDerWaalsContact O-O 3.12Å; V80-R108 HydrophobicContact CG1-CB 3.94Å; V80-R108 HydrophobicContact CG2-CB 3.86Å
81G94.4Very high95.1Very high41 Ų4137.1 Ų37.142%0.42320%0.196SC..SBendtrans159.9-162.1-170.100000112.3N104G81-N104 WeakPolarHBondContact CA-O 3.38Å
82K94.3Very high95.3Very high121 Ų12141.4 Ų41.453%0.52621%0.211SC..THydrogen-bonded Turntrans-65.1140.1167-165.8-166.3170-68.40109C84 Y89 N104K82-C84 PolarHBondContact O-N 3.26Å; K82-C84 VanDerWaalsContact O-N 3.08Å; K82-Y89 VanDerWaalsContact O-CD2 3.32Å; K82-Y89 WeakPolarHBondContact O-CD2 3.4Å; K82-Y89 WeakPolarHBondContact O-CE2 3.38Å; K82-N104 HydrophobicContact CB-CB 4.35Å
83D95.3Very high95.2Very high69 Ų6940.1 Ų40.137%0.36921%0.206SC..THydrogen-bonded Turntrans56.719.7179.6-32.5-53.7000114.9Y89 E90 A91D83-Y89 HydrophobicContact CB-CD2 4Å; D83-Y89 HydrophobicContact CB-CE2 3.62Å; D83-E90 PolarHBondContact O-N 3.15Å; D83-E90 VanDerWaalsContact O-N 3.11Å; D83-A91 HydrophobicContact CB-CB 4.41Å
84C95.3Very high94.9Very high30 Ų3040.9 Ų40.920%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-96.6137.8173-62.30000112.4K82 Y88 L105K82-C84 PolarHBondContact O-N 3.26Å; K82-C84 VanDerWaalsContact O-N 3.08Å; C84-Y88 CarbonylContact C-O 3.53Å; C84-Y88 WeakPolarHBondContact CA-O 3.5Å; C84-L105 WeakPolarHBondContact SG-CD2 3.38Å
85R92.9Very high94.3Very high111 Ų11146.6 Ų46.642%0.41925%0.25SC..EExtended strand (participates in β ladder)trans-145.3148.2173.464.5-168.9-169.2-116-1.1109.7G87 Y88 E90R85-G87 PolarHBondContact O-N 2.97Å; R85-Y88 HydrophobicContact CG-CE1 4.3Å; R85-Y88 HydrophobicContact CG-CE2 4.08Å; R85-Y88 PolarHBondContact N-O 2.94Å; R85-Y88 PolarHBondContact NE-OH 3.36Å; R85-Y88 PolarHBondContact NH2-OH 3.46Å; R85-Y88 WeakPolarHBondContact O-CD1 3.37Å; R85-Y88 WeakPolarHBondContact O-CE1 3.47Å; R85-Y88 PolarHBondContact O-N 3.35Å; R85-E90 IonicContact CZ-OE2 3.42Å; R85-E90 IonicContact NH1-OE2 2.68Å; R85-E90 IonicContact NH2-OE1 3.3Å; R85-E90 IonicContact NH2-OE2 3.35Å; R85-E90 PolarHBondContact NH2-OE2 2.82Å
86D91.1Very high93.5Very high119 Ų11952.2 Ų52.264%0.63628%0.276SS*.THydrogen-bonded Turntrans48.132.6177.5-40.6-48.4000114.8Y88D86-Y88 HydrophobicContact CB-CD1 4.17Å; D86-Y88 HydrophobicContact CB-CE1 3.85Å
87G93.2Very high92.6Very high6 Ų661.2 Ų61.26%0.06231%0.31CS..THydrogen-bonded Turntrans73.918.3179.600000115.8L79 R85 R122L79-G87 PolarHBondContact N-O 3.05Å; L79-G87 VanDerWaalsContact N-O 3.08Å; L79-G87 CarbonylContact O-C 3.59Å; L79-G87 WeakPolarHBondContact O-CA 3.36Å; R85-G87 PolarHBondContact O-N 2.97Å; G87-R122 PolarHBondContact O-NH1 2.84Å; G87-R122 PolarHBondContact O-NH2 3.5Å
88Y96.4Very high92Very high22 Ų2268.6 Ų68.69%0.08634%0.338CS..EExtended strand (participates in β ladder)trans-129.7159.2168.367.7-89.7000111.3R62 I63 C84 R85 D86 E90 I127R62-Y88 HydrophobicContact CG-CD2 3.96Å; I63-Y88 WeakPolarHBondContact O-CA 3.38Å; I63-Y88 WeakPolarHBondContact O-CB 3.24Å; C84-Y88 CarbonylContact C-O 3.53Å; C84-Y88 WeakPolarHBondContact CA-O 3.5Å; R85-Y88 HydrophobicContact CG-CE1 4.3Å; R85-Y88 HydrophobicContact CG-CE2 4.08Å; R85-Y88 PolarHBondContact N-O 2.94Å; R85-Y88 PolarHBondContact NE-OH 3.36Å; R85-Y88 PolarHBondContact NH2-OH 3.46Å; R85-Y88 WeakPolarHBondContact O-CD1 3.37Å; R85-Y88 WeakPolarHBondContact O-CE1 3.47Å; R85-Y88 PolarHBondContact O-N 3.35Å; D86-Y88 HydrophobicContact CB-CD1 4.17Å; D86-Y88 HydrophobicContact CB-CE1 3.85Å; Y88-E90 HydrophobicContact CD2-CB 4.01Å; Y88-E90 HydrophobicContact CE2-CB 3.77Å; Y88-I127 HydrophobicContact CD1-CD1 3.49Å; Y88-I127 VanDerWaalsContact CD1-CD1 3.49Å; Y88-I127 HydrophobicContact CD1-CG1 4.42Å; Y88-I127 HydrophobicContact CE1-CD1 3.93Å; Y88-I127 HydrophobicContact CG-CD1 4.39Å
89Y97.6Very high91.8Very high22 Ų2268.3 Ų68.39%0.08634%0.338CS..EExtended strand (participates in β ladder)trans-96.8139.2170.3172.5-92.6000109.2V61 R62 I63 K82 D83 A91 F102 L105V61-Y89 HydrophobicContact CG1-CE1 4.17Å; R62-Y89 CarbonylContact C-O 3.4Å; R62-Y89 VanDerWaalsContact CA-O 3.24Å; R62-Y89 WeakPolarHBondContact CA-O 3.34Å; I63-Y89 HydrophobicContact CB-CD1 4.39Å; I63-Y89 HydrophobicContact CD1-CD1 3.75Å; I63-Y89 HydrophobicContact CD1-CE1 4.23Å; I63-Y89 HydrophobicContact CD1-CG 4.37Å; I63-Y89 HydrophobicContact CG1-CD1 3.87Å; I63-Y89 PolarHBondContact N-O 2.94Å; I63-Y89 PolarHBondContact O-N 3.32Å; K82-Y89 VanDerWaalsContact O-CD2 3.32Å; K82-Y89 WeakPolarHBondContact O-CD2 3.4Å; K82-Y89 WeakPolarHBondContact O-CE2 3.38Å; D83-Y89 HydrophobicContact CB-CD2 4Å; D83-Y89 HydrophobicContact CB-CE2 3.62Å; Y89-A91 HydrophobicContact CE1-CB 3.85Å; Y89-A91 HydrophobicContact CE2-CB 4.49Å; Y89-A91 WeakPolarHBondContact OH-CB 3.19Å; Y89-F102 HydrophobicContact CD1-CD1 4.37Å; Y89-F102 AromaticContact CE1-CD1 3.65Å; Y89-F102 HydrophobicContact CE1-CD1 3.65Å; Y89-F102 AromaticContact CE1-CE1 3.72Å; Y89-F102 HydrophobicContact CE1-CE1 3.72Å; Y89-F102 AromaticContact CZ-CD1 3.88Å; Y89-L105 HydrophobicContact CD2-CD2 3.59Å; Y89-L105 HydrophobicContact CE2-CD2 4.27Å; Y89-L105 HydrophobicContact CG-CD2 4.08Å
90E96Very high91.7Very high17 Ų1770 Ų708%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-149.6122.2170.1-173.8177.9-70.300112.1K60 V61 R62 D83 R85 Y88K60-E90 HydrophobicContact CD-CG 3.73Å; K60-E90 WeakPolarHBondContact CD-OE2 3.46Å; K60-E90 VanDerWaalsContact CE-OE2 3.29Å; K60-E90 WeakPolarHBondContact CE-OE2 3.35Å; K60-E90 HydrophobicContact CG-CG 3.88Å; K60-E90 IonicContact NZ-OE1 2.74Å; K60-E90 IonicContact NZ-OE2 2.69Å; K60-E90 PolarHBondContact NZ-OE2 3.31Å; V61-E90 WeakPolarHBondContact O-CA 3.36Å; R62-E90 HydrophobicContact CB-CG 4.41Å; R62-E90 IonicContact CZ-OE1 2.72Å; R62-E90 IonicContact NE-OE1 3.77Å; R62-E90 PolarHBondContact NE-OE1 3.2Å; R62-E90 IonicContact NH2-OE1 3.66Å; R62-E90 PolarHBondContact NH2-OE1 3.24Å; D83-E90 PolarHBondContact O-N 3.15Å; D83-E90 VanDerWaalsContact O-N 3.11Å; R85-E90 IonicContact CZ-OE2 3.42Å; R85-E90 IonicContact NH1-OE2 2.68Å; R85-E90 IonicContact NH2-OE1 3.3Å; R85-E90 IonicContact NH2-OE2 3.35Å; R85-E90 PolarHBondContact NH2-OE2 2.82Å; Y88-E90 HydrophobicContact CD2-CB 4.01Å; Y88-E90 HydrophobicContact CE2-CB 3.77Å
91A95.4Very high91.6Very high20 Ų2074.4 Ų74.417%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-141.5149.6-179.500000111.9K60 V61 D83 Y89K60-A91 WeakPolarHBondContact CA-O 3.45Å; K60-A91 WeakPolarHBondContact CG-O 3.42Å; V61-A91 WeakPolarHBondContact CG1-O 3.4Å; V61-A91 PolarHBondContact N-O 2.93Å; V61-A91 PolarHBondContact O-N 2.59Å; D83-A91 HydrophobicContact CB-CB 4.41Å; Y89-A91 HydrophobicContact CE1-CB 3.85Å; Y89-A91 HydrophobicContact CE2-CB 4.49Å; Y89-A91 WeakPolarHBondContact OH-CB 3.19Å
92E94.3Very high91.7Very high144 Ų14472.6 Ų72.667%0.67335%0.345SS*.EExtended strand (participates in β ladder)trans-87145.8171.4-64.6-170.4-179.700111.1G59 K60G59-E92 CarbonylContact O-C 3.59Å; G59-E92 VanDerWaalsContact O-CA 3.29Å; G59-E92 WeakPolarHBondContact O-CA 3.48Å; K60-E92 HydrophobicContact CB-CG 4.18Å; K60-E92 HydrophobicContact CD-CG 4.11Å; K60-E92 HydrophobicContact CG-CG 4Å
93F92.8Very high91.7Very high22 Ų2271.4 Ų71.410%0.09634%0.341CS..EExtended strand (participates in β ladder)trans-118.7144.4175.960.7-96.6000111.2I52 Y55 K58 G59 V61 L100 V154 L156I52-F93 HydrophobicContact CD1-CE1 4.12Å; I52-F93 HydrophobicContact CD1-CE2 4.14Å; I52-F93 HydrophobicContact CD1-CZ 3.84Å; I52-F93 HydrophobicContact CG1-CE2 4.46Å; I52-F93 HydrophobicContact CG1-CZ 3.97Å; Y55-F93 HydrophobicContact CD1-CE2 4.31Å; Y55-F93 HydrophobicContact CE1-CE2 4.24Å; K58-F93 CarbonylContact C-O 3.54Å; K58-F93 VanDerWaalsContact CA-O 3.27Å; K58-F93 WeakPolarHBondContact CA-O 3.39Å; G59-F93 PolarHBondContact N-O 2.92Å; G59-F93 WeakPolarHBondContact O-CD1 3.16Å; G59-F93 PolarHBondContact O-N 2.87Å; V61-F93 HydrophobicContact CB-CD1 4.41Å; V61-F93 HydrophobicContact CG1-CD1 4.36Å; F93-L100 HydrophobicContact CB-CD1 4.04Å; F93-L100 HydrophobicContact CB-CD2 3.74Å; F93-L100 HydrophobicContact CD1-CD1 3.66Å; F93-L100 HydrophobicContact CE1-CD1 4.24Å; F93-L100 HydrophobicContact CG-CD1 3.91Å; F93-L100 HydrophobicContact CG-CD2 4.3Å; F93-V154 HydrophobicContact CE1-CG1 4.05Å; F93-V154 HydrophobicContact CZ-CG1 3.98Å; F93-L156 HydrophobicContact CZ-CD2 4.05Å
94G88.4Confident91.6Very high48 Ų4872 Ų7250%0.49535%0.345SS..  trans-83.4-174.9178.900000113.4E96G94-E96 PolarHBondContact O-N 3.05Å
95Q82.6Confident91.6Very high125 Ų12570.7 Ų70.758%0.58434%0.335SS*.SBendtrans-72.726.6-176.5-55.1-177-11.900114.6Y56Y56-Q95 HydrophobicContact CE1-CB 4.43Å; Y56-Q95 WeakPolarHBondContact CE2-O 3.29Å; Y56-Q95 VanDerWaalsContact CZ-O 3.28Å; Y56-Q95 PolarHBondContact OH-O 2.73Å
96E79Confident91.8Very high120 Ų12065.4 Ų65.456%0.56132%0.316SS*.  trans-91138.6-178.9-63.6-159.4155.700112G94 R98G94-E96 PolarHBondContact O-N 3.05Å; E96-R98 HydrophobicContact CB-CB 4.44Å; E96-R98 HydrophobicContact CB-CG 4.37Å; E96-R98 PolarHBondContact O-N 3.2Å; E96-R98 VanDerWaalsContact O-N 3.16Å; E96-R98 IonicContact OE1-CZ 3.79Å; E96-R98 IonicContact OE1-NH1 2.78Å; E96-R98 PolarHBondContact OE1-NH1 2.87Å; E96-R98 VanDerWaalsContact OE2-CD 3.3Å; E96-R98 WeakPolarHBondContact OE2-CD 3.3Å; E96-R98 IonicContact OE2-CZ 3.52Å; E96-R98 IonicContact OE2-NE 3.74Å; E96-R98 IonicContact OE2-NH1 2.68Å; E96-R98 PolarHBondContact OE2-NH1 3.1Å
97R77Confident92.1Very high189 Ų18959.8 Ų59.871%0.71329%0.285SS*.  trans-79.722.9170.7-61.7-171.2179.3-162.2-3113.4Y56Y56-R97 HydrophobicContact CD2-CG 3.58Å; Y56-R97 HydrophobicContact CE2-CG 3.96Å
98R85.4Confident92.3Very high158 Ų15863.6 Ų63.660%0.59630%0.298SS*.SBendtrans-87.9149.3-179.3-66.4-167.6-179.3121.5-1.6110.3E96E96-R98 HydrophobicContact CB-CB 4.44Å; E96-R98 HydrophobicContact CB-CG 4.37Å; E96-R98 PolarHBondContact O-N 3.2Å; E96-R98 VanDerWaalsContact O-N 3.16Å; E96-R98 IonicContact OE1-CZ 3.79Å; E96-R98 IonicContact OE1-NH1 2.78Å; E96-R98 PolarHBondContact OE1-NH1 2.87Å; E96-R98 VanDerWaalsContact OE2-CD 3.3Å; E96-R98 WeakPolarHBondContact OE2-CD 3.3Å; E96-R98 IonicContact OE2-CZ 3.52Å; E96-R98 IonicContact OE2-NE 3.74Å; E96-R98 IonicContact OE2-NH1 2.68Å; E96-R98 PolarHBondContact OE2-NH1 3.1Å
99P92.6Very high92.3Very high31 Ų3162.9 Ų62.920%0.20130%0.296CS..PPolyproline II helixtrans-55.9143.6165.2-22.532.4000111.3I13 I50 F101I13-P99 HydrophobicContact CG1-CB 4.34Å; I13-P99 HydrophobicContact CG1-CG 4.31Å; I13-P99 HydrophobicContact CG2-CG 4.41Å; I50-P99 CarbonylContact O-C 3.48Å; I50-P99 VanDerWaalsContact O-CA 3.32Å; I50-P99 WeakPolarHBondContact O-CA 3.14Å; P99-F101 HydrophobicContact CB-CE1 4.39Å; P99-F101 HydrophobicContact CB-CE2 4.03Å; P99-F101 HydrophobicContact CB-CZ 3.88Å; P99-F101 HydrophobicContact CG-CZ 4.26Å; P99-F101 VanDerWaalsContact O-CD2 3.24Å; P99-F101 WeakPolarHBondContact O-CD2 3.45Å; P99-F101 VanDerWaalsContact O-CE2 3.23Å; P99-F101 WeakPolarHBondContact O-CE2 3.48Å
100L95.1Very high92.2Very high35 Ų3562.7 Ų62.718%0.18330%0.297CS..EExtended strand (participates in β ladder)trans-88.3119173.1-54-176.9000108.3S49 I50 I52 V61 F93 F102S49-L100 WeakPolarHBondContact CA-O 3.5Å; S49-L100 WeakPolarHBondContact CB-O 3.49Å; I50-L100 HydrophobicContact CG1-CB 4.31Å; I50-L100 HydrophobicContact CG1-CD1 4.46Å; I50-L100 PolarHBondContact N-O 3.13Å; I50-L100 PolarHBondContact O-N 2.86Å; I52-L100 HydrophobicContact CD1-CD1 3.71Å; I52-L100 HydrophobicContact CD1-CG 4.24Å; V61-L100 HydrophobicContact CB-CD1 4.3Å; V61-L100 HydrophobicContact CG1-CD1 3.97Å; F93-L100 HydrophobicContact CB-CD1 4.04Å; F93-L100 HydrophobicContact CB-CD2 3.74Å; F93-L100 HydrophobicContact CD1-CD1 3.66Å; F93-L100 HydrophobicContact CE1-CD1 4.24Å; F93-L100 HydrophobicContact CG-CD1 3.91Å; F93-L100 HydrophobicContact CG-CD2 4.3Å; L100-F102 HydrophobicContact CB-CE1 3.96Å; L100-F102 HydrophobicContact CB-CE2 4.29Å; L100-F102 HydrophobicContact CB-CZ 3.57Å; L100-F102 HydrophobicContact CD1-CZ 4.39Å; L100-F102 WeakPolarHBondContact O-CE2 3.13Å
101F95.3Very high92.1Very high112 Ų11266.1 Ų66.149%0.49131%0.312SS..EExtended strand (participates in β ladder)trans-102.4119.1-175.2-61.7-86.2000111.8P99 Q103P99-F101 HydrophobicContact CB-CE1 4.39Å; P99-F101 HydrophobicContact CB-CE2 4.03Å; P99-F101 HydrophobicContact CB-CZ 3.88Å; P99-F101 HydrophobicContact CG-CZ 4.26Å; P99-F101 VanDerWaalsContact O-CD2 3.24Å; P99-F101 WeakPolarHBondContact O-CD2 3.45Å; P99-F101 VanDerWaalsContact O-CE2 3.23Å; P99-F101 WeakPolarHBondContact O-CE2 3.48Å; F101-Q103 PolarHBondContact O-N 2.97Å; F101-Q103 VanDerWaalsContact O-N 3.15Å
102F95.8Very high92Very high3 Ų373.8 Ų73.81%0.01334%0.341CS..  trans-95.967.5-171.8-54.4-61.9000112.7P48 I50 V61 I63 Y89 L100 L105 F152P48-F102 VanDerWaalsContact O-CD2 3.27Å; P48-F102 WeakPolarHBondContact O-CD2 3.44Å; P48-F102 PolarHBondContact O-N 2.89Å; I50-F102 HydrophobicContact CB-CE2 4.37Å; I50-F102 HydrophobicContact CD1-CE2 3.94Å; I50-F102 HydrophobicContact CD1-CZ 3.83Å; I50-F102 HydrophobicContact CG1-CE2 3.76Å; I50-F102 HydrophobicContact CG1-CZ 3.86Å; I50-F102 HydrophobicContact CG2-CE2 4.14Å; V61-F102 HydrophobicContact CG1-CE1 3.97Å; V61-F102 HydrophobicContact CG1-CZ 4.26Å; V61-F102 HydrophobicContact CG2-CE1 4.3Å; V61-F102 HydrophobicContact CG2-CZ 3.96Å; I63-F102 HydrophobicContact CD1-CB 4.13Å; I63-F102 HydrophobicContact CD1-CD1 3.57Å; I63-F102 HydrophobicContact CD1-CD2 3.64Å; I63-F102 HydrophobicContact CD1-CE1 3.84Å; I63-F102 HydrophobicContact CD1-CE2 3.88Å; I63-F102 HydrophobicContact CD1-CG 3.47Å; I63-F102 VanDerWaalsContact CD1-CG 3.47Å; I63-F102 HydrophobicContact CD1-CZ 3.98Å; Y89-F102 HydrophobicContact CD1-CD1 4.37Å; Y89-F102 AromaticContact CE1-CD1 3.65Å; Y89-F102 HydrophobicContact CE1-CD1 3.65Å; Y89-F102 AromaticContact CE1-CE1 3.72Å; Y89-F102 HydrophobicContact CE1-CE1 3.72Å; Y89-F102 AromaticContact CZ-CD1 3.88Å; L100-F102 HydrophobicContact CB-CE1 3.96Å; L100-F102 HydrophobicContact CB-CE2 4.29Å; L100-F102 HydrophobicContact CB-CZ 3.57Å; L100-F102 HydrophobicContact CD1-CZ 4.39Å; L100-F102 WeakPolarHBondContact O-CE2 3.13Å; F102-L105 HydrophobicContact CB-CD1 3.59Å; F102-L105 HydrophobicContact CB-CG 4.19Å; F102-L105 HydrophobicContact CG-CD1 4.48Å; F102-F152 HydrophobicContact CD2-CD1 4.47Å; F102-F152 AromaticContact CD2-CE1 3.73Å; F102-F152 HydrophobicContact CD2-CE1 3.73Å; F102-F152 AromaticContact CE2-CD1 3.98Å; F102-F152 HydrophobicContact CE2-CD1 3.98Å; F102-F152 AromaticContact CE2-CE1 3.64Å; F102-F152 HydrophobicContact CE2-CE1 3.64Å
103Q94.3Very high92Very high97 Ų9775.2 Ų75.245%0.45335%0.345SS..THydrogen-bonded Turntrans-70.4158.5176.7-52.6-171.20.700112.1Y47 F101 L105Y47-Q103 HydrophobicContact CD1-CB 4.31Å; Y47-Q103 HydrophobicContact CD1-CG 4.22Å; Y47-Q103 HydrophobicContact CD2-CG 3.72Å; Y47-Q103 HydrophobicContact CE1-CB 4.44Å; Y47-Q103 HydrophobicContact CE2-CG 4.06Å; Y47-Q103 HydrophobicContact CG-CB 4.39Å; Y47-Q103 HydrophobicContact CG-CG 3.82Å; F101-Q103 PolarHBondContact O-N 2.97Å; F101-Q103 VanDerWaalsContact O-N 3.15Å; Q103-L105 PolarHBondContact O-N 3.17Å; Q103-L105 VanDerWaalsContact O-N 3.13Å
104N93.4Very high92Very high82 Ų8276.7 Ų76.744%0.43935%0.353SS..THydrogen-bonded Turntrans62.114174-53.6-72.8000115.9S34 G81 K82S34-N104 WeakPolarHBondContact OG-CA 3.43Å; G81-N104 WeakPolarHBondContact CA-O 3.38Å; K82-N104 HydrophobicContact CB-CB 4.35Å
105L95.9Very high92.3Very high1 Ų174.6 Ų74.61%0.00533%0.33CS..  trans-81.5121.5170.6-65.7-170.4000111.4S34 I35 I63 L79 C84 Y89 F102 Q103S34-L105 CarbonylContact C-O 3.46Å; S34-L105 WeakPolarHBondContact CA-O 3.46Å; I35-L105 HydrophobicContact CD1-CB 4.06Å; I35-L105 WeakPolarHBondContact CG1-O 3.41Å; I35-L105 PolarHBondContact N-O 2.82Å; I63-L105 HydrophobicContact CD1-CD1 4.08Å; L79-L105 HydrophobicContact CD1-CB 4.12Å; L79-L105 HydrophobicContact CD1-CD1 4.28Å; L79-L105 HydrophobicContact CD1-CD2 4.46Å; L79-L105 HydrophobicContact CD2-CD1 4.17Å; L79-L105 HydrophobicContact CD2-CD2 4.34Å; L79-L105 HydrophobicContact CG-CD2 4.27Å; C84-L105 WeakPolarHBondContact SG-CD2 3.38Å; Y89-L105 HydrophobicContact CD2-CD2 3.59Å; Y89-L105 HydrophobicContact CE2-CD2 4.27Å; Y89-L105 HydrophobicContact CG-CD2 4.08Å; F102-L105 HydrophobicContact CB-CD1 3.59Å; F102-L105 HydrophobicContact CB-CG 4.19Å; F102-L105 HydrophobicContact CG-CD1 4.48Å; Q103-L105 PolarHBondContact O-N 3.17Å; Q103-L105 VanDerWaalsContact O-N 3.13Å
106G96.9Very high92.8Very high1 Ų174.8 Ų74.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-123164170.100000112.1V80V80-G106 WeakPolarHBondContact CG2-O 3.2Å; V80-G106 PolarHBondContact N-O 3.49Å; V80-G106 PolarHBondContact O-N 2.99Å; V80-G106 VanDerWaalsContact O-O 3.12Å
107I97.8Very high93.5Very high0 Ų076 Ų760%034%0.335CS..EExtended strand (participates in β ladder)trans-106120-179.2-65.4168.7000109.7M21 F23 R24 I35 L65 H77 V148 I175M21-I107 HydrophobicContact CE-CB 4.26Å; M21-I107 HydrophobicContact CE-CD1 3.75Å; M21-I107 HydrophobicContact CE-CG1 4.18Å; F23-I107 HydrophobicContact CB-CG2 4.12Å; F23-I107 HydrophobicContact CD1-CB 3.75Å; F23-I107 HydrophobicContact CD1-CD1 4.05Å; F23-I107 HydrophobicContact CD1-CG1 4.49Å; F23-I107 HydrophobicContact CD1-CG2 3.67Å; F23-I107 HydrophobicContact CD2-CG2 4Å; F23-I107 HydrophobicContact CE1-CB 4.2Å; F23-I107 HydrophobicContact CE1-CD1 3.58Å; F23-I107 HydrophobicContact CE1-CG1 4.48Å; F23-I107 HydrophobicContact CE1-CG2 4.09Å; F23-I107 HydrophobicContact CE2-CG2 4.37Å; F23-I107 HydrophobicContact CG-CB 4.18Å; F23-I107 HydrophobicContact CG-CG2 3.65Å; F23-I107 HydrophobicContact CZ-CD1 4.15Å; F23-I107 HydrophobicContact CZ-CG2 4.42Å; R24-I107 PolarHBondContact N-O 3Å; I35-I107 HydrophobicContact CD1-CD1 4.24Å; I35-I107 HydrophobicContact CD1-CG1 4.2Å; L65-I107 HydrophobicContact CD1-CG1 4.16Å; L65-I107 HydrophobicContact CD1-CG2 4.08Å; H77-I107 HydrophobicContact CB-CG2 4.12Å; I107-V148 HydrophobicContact CD1-CG2 3.48Å; I107-V148 VanDerWaalsContact CD1-CG2 3.48Å; I107-I175 HydrophobicContact CD1-CD1 4.21Å; I107-I175 HydrophobicContact CD1-CG2 4.35Å
108R96.9Very high94.3Very high87 Ų8767.7 Ų67.733%0.32831%0.307SS..EExtended strand (participates in β ladder)trans-98.3116.1173.2170.8-170.5-65.9155.42.7109.6R24 H77 D78 V80R24-R108 CarbonylContact O-C 3.54Å; R24-R108 WeakPolarHBondContact O-CA 3.45Å; R24-R108 WeakPolarHBondContact O-CG 3.33Å; H77-R108 WeakPolarHBondContact CB-O 3.44Å; D78-R108 HydrophobicContact CB-CB 4.16Å; D78-R108 PolarHBondContact N-O 3.15Å; D78-R108 PolarHBondContact O-N 2.99Å; V80-R108 HydrophobicContact CG1-CB 3.94Å; V80-R108 HydrophobicContact CG2-CB 3.86Å
109C96.1Very high94.7Very high6 Ų660.8 Ų60.84%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-84141.1178.952.20000112.8F23 R24 Y25 H77F23-C109 HydrophobicContact CB-CB 3.94Å; R24-C109 PolarHBondContact O-N 3.22Å; Y25-C109 WeakPolarHBondContact CD1-O 3.42Å; H77-C109 VanDerWaalsContact CE1-CB 3.44Å; H77-C109 WeakPolarHBondContact CE1-CB 3.45Å; H77-C109 WeakPolarHBondContact ND1-CA 3.39Å
110V95.4Very high94.6Very high18 Ų1862 Ų6211%0.10929%0.285CS..PPolyproline II helixtrans-89.9156.5170.7-62.90000110.8P76 H77 E114 V115 A118P76-V110 HydrophobicContact CB-CG2 3.92Å; P76-V110 HydrophobicContact CG-CG2 4.39Å; P76-V110 WeakPolarHBondContact O-CG1 3.31Å; H77-V110 PolarHBondContact ND1-N 3.34Å; V110-E114 HydrophobicContact CB-CB 4.26Å; V110-V115 HydrophobicContact CG2-CG2 3.89Å; V110-A118 HydrophobicContact CG1-CB 4.36Å
111K94.3Very high94.5Very high89 Ų8963.6 Ų63.639%0.38730%0.3SS..PPolyproline II helixtrans-79153.2174.9-58.9172.9-170.71630109.9Y25 K113 E114 V115Y25-K111 HydrophobicContact CD1-CG 3.94Å; Y25-K111 HydrophobicContact CE1-CG 3.73Å; K111-K113 HydrophobicContact CB-CG 4.26Å; K111-K113 PolarHBondContact O-N 2.91Å; K111-E114 VanDerWaalsContact CB-OE2 3.31Å; K111-E114 WeakPolarHBondContact CB-OE2 3.48Å; K111-E114 WeakPolarHBondContact CG-OE2 3.48Å; K111-E114 PolarHBondContact N-OE2 3.1Å; K111-E114 WeakPolarHBondContact O-CA 3.14Å; K111-E114 WeakPolarHBondContact O-CB 3.25Å; K111-E114 PolarHBondContact O-N 2.8Å; K111-V115 PolarHBondContact O-N 3.44Å
112K92.7Very high94.5Very high182 Ų18258.6 Ų58.679%0.79128%0.277SS*.THydrogen-bonded Turntrans-51.5-33.6-178.9-171169.4-177.7172.20113.9E114 L145K112-E114 VanDerWaalsContact C-N 3.35Å; K112-E114 PolarHBondContact O-N 2.9Å; K112-L145 HydrophobicContact CB-CD1 4.43Å
113K93.6Very high94.2Very high174 Ų17460.2 Ų60.276%0.75729%0.286SS*.THydrogen-bonded Turntrans-71.1-21.4175.764.8154.3-161.1160.20115.3K111K111-K113 HydrophobicContact CB-CG 4.26Å; K111-K113 PolarHBondContact O-N 2.91Å
114E94.3Very high94.1Very high53 Ų5363.8 Ų63.825%0.24830%0.3CS..THydrogen-bonded Turntrans-94.7-13.2-177.3-72.3141.6-15800111.8V110 K111 K112 K116 E117 A118V110-E114 HydrophobicContact CB-CB 4.26Å; K111-E114 VanDerWaalsContact CB-OE2 3.31Å; K111-E114 WeakPolarHBondContact CB-OE2 3.48Å; K111-E114 WeakPolarHBondContact CG-OE2 3.48Å; K111-E114 PolarHBondContact N-OE2 3.1Å; K111-E114 WeakPolarHBondContact O-CA 3.14Å; K111-E114 WeakPolarHBondContact O-CB 3.25Å; K111-E114 PolarHBondContact O-N 2.8Å; K112-E114 VanDerWaalsContact C-N 3.35Å; K112-E114 PolarHBondContact O-N 2.9Å; E114-K116 PolarHBondContact O-N 2.92Å; E114-E117 PolarHBondContact O-N 2.98Å; E114-E117 VanDerWaalsContact O-N 3.16Å; E114-A118 PolarHBondContact O-N 2.87Å
115V94.1Very high94Very high3 Ų362.4 Ų62.42%0.01830%0.3CS..Hα-helixtrans-55.1-45.1-176.4171.40000112.9P76 V110 K111 E117 A118 I119 I140 L145P76-V115 HydrophobicContact CB-CB 4.41Å; P76-V115 HydrophobicContact CB-CG1 3.95Å; P76-V115 HydrophobicContact CB-CG2 4.41Å; P76-V115 HydrophobicContact CG-CG1 3.92Å; P76-V115 HydrophobicContact CG-CG2 4.32Å; V110-V115 HydrophobicContact CG2-CG2 3.89Å; K111-V115 PolarHBondContact O-N 3.44Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.31Å; V115-A118 PolarHBondContact O-N 3.5Å; V115-I119 HydrophobicContact CG1-CG1 4.44Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 3.02Å; V115-I140 HydrophobicContact CB-CG2 4.47Å; V115-I140 HydrophobicContact CG1-CG2 3.65Å; V115-L145 HydrophobicContact CG2-CD1 3.92Å; V115-L145 HydrophobicContact CG2-CD2 3.79Å; V115-L145 HydrophobicContact CG2-CG 4.5Å
116K92.3Very high93.7Very high129 Ų12965 Ų6556%0.56133%0.327SS*.Hα-helixtrans-61.8-41.2-179.8-175.5162.9-176.5169.90112.2E114 I120 I140E114-K116 PolarHBondContact O-N 2.92Å; K116-I120 HydrophobicContact CG-CD1 3.99Å; K116-I120 WeakPolarHBondContact O-CD1 3.28Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.48Å; K116-I120 PolarHBondContact O-N 3.07Å; K116-I120 VanDerWaalsContact O-N 3.14Å; K116-I140 HydrophobicContact CB-CD1 3.71Å; K116-I140 HydrophobicContact CD-CD1 4.1Å; K116-I140 HydrophobicContact CG-CD1 3.7Å
117E93.7Very high93.5Very high146 Ų14665.1 Ų65.168%0.68233%0.328SS*.Hα-helixtrans-68.6-41.9177.6-172.1179.2179.400111.2E114 V115 I120 S121E114-E117 PolarHBondContact O-N 2.98Å; E114-E117 VanDerWaalsContact O-N 3.16Å; V115-E117 VanDerWaalsContact C-N 3.33Å; V115-E117 PolarHBondContact O-N 3.31Å; E117-I120 PolarHBondContact O-N 3Å; E117-S121 WeakPolarHBondContact O-CB 3.29Å; E117-S121 PolarHBondContact O-N 3.04Å
118A94.4Very high93.3Very high15 Ų1566.8 Ų66.812%0.12434%0.336CS..Hα-helixtrans-60.3-47.7176.200000112.3P76 V110 E114 V115 S121 R122P76-A118 HydrophobicContact CB-CB 3.87Å; P76-A118 WeakPolarHBondContact O-CB 3.37Å; V110-A118 HydrophobicContact CG1-CB 4.36Å; E114-A118 PolarHBondContact O-N 2.87Å; V115-A118 PolarHBondContact O-N 3.5Å; A118-S121 WeakPolarHBondContact O-CB 3.21Å; A118-S121 PolarHBondContact O-N 3.06Å; A118-R122 WeakPolarHBondContact O-CG 3.4Å; A118-R122 PolarHBondContact O-N 3.37Å
119I93.3Very high93.1Very high13 Ų1363.1 Ų63.17%0.06732%0.324CS..Hα-helixtrans-59.1-48.4175.4-69.4-60.6000111.4P74 P76 V115 S121 R122 I123 L137P74-I119 VanDerWaalsContact O-CD1 3.3Å; P74-I119 WeakPolarHBondContact O-CD1 3.48Å; P76-I119 HydrophobicContact CB-CD1 4.15Å; P76-I119 HydrophobicContact CB-CG1 4.27Å; V115-I119 HydrophobicContact CG1-CG1 4.44Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 3.02Å; I119-S121 PolarHBondContact O-N 2.89Å; I119-R122 PolarHBondContact O-N 2.91Å; I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 WeakPolarHBondContact O-CG1 3.3Å; I119-I123 PolarHBondContact O-N 2.93Å; I119-L137 WeakPolarHBondContact CG2-O 3.33Å
120I91.9Very high92.9Very high55 Ų5566 Ų6628%0.28234%0.336SS..Hα-helixtrans-59.7-36.6177.6-69.9166.5000111K116 E117 K124K116-I120 HydrophobicContact CG-CD1 3.99Å; K116-I120 WeakPolarHBondContact O-CD1 3.28Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.48Å; K116-I120 PolarHBondContact O-N 3.07Å; K116-I120 VanDerWaalsContact O-N 3.14Å; E117-I120 PolarHBondContact O-N 3Å; I120-K124 HydrophobicContact CG2-CD 4.13Å; I120-K124 WeakPolarHBondContact O-CB 3.27Å; I120-K124 VanDerWaalsContact O-CG 3.31Å; I120-K124 WeakPolarHBondContact O-CG 3.44Å; I120-K124 PolarHBondContact O-N 3.33Å
121S93.1Very high92.8Very high70 Ų7071.7 Ų71.749%0.4937%0.366SS..Hα-helixtrans-64.1-43174.1-165.30000112.1E117 A118 I119 I123 K124 A125E117-S121 WeakPolarHBondContact O-CB 3.29Å; E117-S121 PolarHBondContact O-N 3.04Å; A118-S121 WeakPolarHBondContact O-CB 3.21Å; A118-S121 PolarHBondContact O-N 3.06Å; I119-S121 PolarHBondContact O-N 2.89Å; S121-I123 PolarHBondContact O-N 2.75Å; S121-K124 PolarHBondContact O-N 3.08Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.79Å
122R93.6Very high92.6Very high6 Ų667.8 Ų67.82%0.02335%0.35CS..Hα-helixtrans-64.7-40.2177.1-59.8-40180100.810.1112.8P74 H77 D78 G87 A118 I119 A125 G126 I127P74-R122 HydrophobicContact CB-CB 4.23Å; H77-R122 PolarHBondContact O-NH2 2.77Å; D78-R122 IonicContact OD1-CZ 3.78Å; D78-R122 IonicContact OD1-NH2 3.19Å; D78-R122 PolarHBondContact OD1-NH2 2.79Å; G87-R122 PolarHBondContact O-NH1 2.84Å; G87-R122 PolarHBondContact O-NH2 3.5Å; A118-R122 WeakPolarHBondContact O-CG 3.4Å; A118-R122 PolarHBondContact O-N 3.37Å; I119-R122 PolarHBondContact O-N 2.91Å; R122-A125 PolarHBondContact O-N 2.85Å; R122-G126 PolarHBondContact O-N 3.39Å; R122-I127 HydrophobicContact CB-CB 4.25Å; R122-I127 WeakPolarHBondContact O-CB 3.44Å; R122-I127 PolarHBondContact O-N 2.8Å
123I91.3Very high92.6Very high38 Ų3862.8 Ų62.820%0.19534%0.336CS..Hα-helixtrans-60.7-50.7173.8-63.5169.1000110.1I119 S121 A125 G126 E134 L137I119-I123 HydrophobicContact CG2-CD1 4.01Å; I119-I123 WeakPolarHBondContact O-CG1 3.3Å; I119-I123 PolarHBondContact O-N 2.93Å; S121-I123 PolarHBondContact O-N 2.75Å; I123-A125 PolarHBondContact O-N 2.74Å; I123-G126 PolarHBondContact O-N 2.93Å; I123-E134 HydrophobicContact CG2-CG 4.25Å; I123-E134 WeakPolarHBondContact CG2-OE1 3.39Å; I123-L137 HydrophobicContact CD1-CB 3.93Å; I123-L137 HydrophobicContact CD1-CD1 4.18Å; I123-L137 HydrophobicContact CG1-CB 4.47Å; I123-L137 HydrophobicContact CG1-CD1 3.89Å
124K91.8Very high92.2Very high172 Ų17260.3 Ų60.375%0.74833%0.327SS*.Hα-helixtrans-59.8-31.6177.5-74.1174.5178.3-178.90113.8I120 S121 G126I120-K124 HydrophobicContact CG2-CD 4.13Å; I120-K124 WeakPolarHBondContact O-CB 3.27Å; I120-K124 VanDerWaalsContact O-CG 3.31Å; I120-K124 WeakPolarHBondContact O-CG 3.44Å; I120-K124 PolarHBondContact O-N 3.33Å; S121-K124 PolarHBondContact O-N 3.08Å; K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.84Å
125A90.8Very high91.8Very high52 Ų5267.1 Ų67.143%0.4336%0.355SS..THydrogen-bonded Turntrans-80.81.2176.500000114S121 R122 I123 I127S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.79Å; R122-A125 PolarHBondContact O-N 2.85Å; I123-A125 PolarHBondContact O-N 2.74Å; A125-I127 HydrophobicContact CB-CD1 3.68Å; A125-I127 HydrophobicContact CB-CG1 3.87Å; A125-I127 PolarHBondContact O-N 3.14Å
126G90.6Very high91.4Very high57 Ų5771.3 Ų71.359%0.58838%0.375SS*.THydrogen-bonded Turntrans67.820.5-17600000113.7R122 I123 K124 N128R122-G126 PolarHBondContact O-N 3.39Å; I123-G126 PolarHBondContact O-N 2.93Å; K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.84Å; G126-N128 PolarHBondContact O-N 3.49Å; G126-N128 VanDerWaalsContact O-N 3.15Å
127I92.2Very high91Very high3 Ų365.4 Ų65.42%0.01535%0.35CS..  trans-87.185.3-177.9-60.1168.9000108T64 P74 Y88 R122 A125T64-I127 HydrophobicContact CG2-CG2 3.72Å; P74-I127 WeakPolarHBondContact CG-O 3.24Å; Y88-I127 HydrophobicContact CD1-CD1 3.49Å; Y88-I127 VanDerWaalsContact CD1-CD1 3.49Å; Y88-I127 HydrophobicContact CD1-CG1 4.42Å; Y88-I127 HydrophobicContact CE1-CD1 3.93Å; Y88-I127 HydrophobicContact CG-CD1 4.39Å; R122-I127 HydrophobicContact CB-CB 4.25Å; R122-I127 WeakPolarHBondContact O-CB 3.44Å; R122-I127 PolarHBondContact O-N 2.8Å; A125-I127 HydrophobicContact CB-CD1 3.68Å; A125-I127 HydrophobicContact CB-CG1 3.87Å; A125-I127 PolarHBondContact O-N 3.14Å
128N92.6Very high90.3Very high34 Ų3461.9 Ų61.918%0.18234%0.335CS..  trans-143.177.9176.4-171.61.8000110.8G126 F130 N131 V132G126-N128 PolarHBondContact O-N 3.49Å; G126-N128 VanDerWaalsContact O-N 3.15Å; N128-F130 PolarHBondContact O-N 2.83Å; N128-N131 PolarHBondContact O-N 3.31Å; N128-N131 VanDerWaalsContact O-N 3.1Å; N128-N131 PolarHBondContact OD1-N 2.83Å; N128-V132 PolarHBondContact ND2-N 2.98Å; N128-V132 PolarHBondContact ND2-O 3.14Å; N128-V132 PolarHBondContact OD1-N 3.05Å
129P92.5Very high89.7Confident11 Ų1164.7 Ų64.77%0.07135%0.348CS..THydrogen-bonded Turntrans-60-23.2-168.9-25.134.5000115.6T64 V66 C151 Q153T64-P129 WeakPolarHBondContact OG1-CG 3.31Å; V66-P129 HydrophobicContact CG1-CG 4.31Å; P129-C151 VanDerWaalsContact CB-SG 3.56Å; P129-Q153 HydrophobicContact CB-CG 4.31Å
130F93.1Very high89Confident66 Ų6666.2 Ų66.229%0.28936%0.356SS..THydrogen-bonded Turntrans-112.510.9-177.7-66.9-86.5000113.3Y72 N128 V132 P169 V171Y72-F130 HydrophobicContact CD2-CD1 4.46Å; Y72-F130 HydrophobicContact CD2-CD2 4.43Å; Y72-F130 HydrophobicContact CD2-CE1 4.14Å; Y72-F130 HydrophobicContact CD2-CE2 4.11Å; Y72-F130 AromaticContact CD2-CZ 3.99Å; Y72-F130 HydrophobicContact CD2-CZ 3.99Å; Y72-F130 HydrophobicContact CG-CD2 4.43Å; Y72-F130 HydrophobicContact CG-CE2 4.24Å; N128-F130 PolarHBondContact O-N 2.83Å; F130-V132 HydrophobicContact CB-CG2 3.98Å; F130-V132 PolarHBondContact O-N 2.85Å; F130-V132 VanDerWaalsContact O-N 3.14Å; F130-P169 HydrophobicContact CD1-CG 4.14Å; F130-P169 HydrophobicContact CE1-CB 4.27Å; F130-P169 HydrophobicContact CE1-CG 3.58Å; F130-P169 HydrophobicContact CE2-CB 4.34Å; F130-P169 HydrophobicContact CE2-CG 4.34Å; F130-P169 HydrophobicContact CZ-CB 3.84Å; F130-P169 HydrophobicContact CZ-CG 3.67Å; F130-V171 HydrophobicContact CE1-CG2 4.45Å; F130-V171 HydrophobicContact CE2-CG2 3.81Å; F130-V171 HydrophobicContact CZ-CG2 3.39Å
131N92.3Very high88.2Confident138 Ų13872.6 Ų72.674%0.73839%0.385SS*.  trans51.733.3-179.3-62.5-40.8000114.3N128N128-N131 PolarHBondContact O-N 3.31Å; N128-N131 VanDerWaalsContact O-N 3.1Å; N128-N131 PolarHBondContact OD1-N 2.83Å
132V91.6Very high87.3Confident7 Ų775.5 Ų75.54%0.04240%0.395CS..  trans-61.5131-179.3-176.80000109.7P71 N128 F130 E134 Q136 L137P71-V132 HydrophobicContact CB-CG1 4.33Å; P71-V132 HydrophobicContact CB-CG2 4.05Å; P71-V132 HydrophobicContact CG-CG1 4.44Å; N128-V132 PolarHBondContact ND2-N 2.98Å; N128-V132 PolarHBondContact ND2-O 3.14Å; N128-V132 PolarHBondContact OD1-N 3.05Å; F130-V132 HydrophobicContact CB-CG2 3.98Å; F130-V132 PolarHBondContact O-N 2.85Å; F130-V132 VanDerWaalsContact O-N 3.14Å; V132-E134 PolarHBondContact O-N 2.94Å; V132-Q136 HydrophobicContact CG1-CB 4.01Å; V132-L137 HydrophobicContact CB-CD2 3.78Å; V132-L137 HydrophobicContact CB-CG 4.33Å; V132-L137 HydrophobicContact CG1-CD2 3.76Å; V132-L137 HydrophobicContact CG1-CG 4.3Å
133P91.2Very high87.1Confident77 Ų7776.3 Ų76.350%0.540%0.401SS..  trans-58.4137.1-176.5-2734.9000113.4K135 Q136 L137P133-K135 PolarHBondContact O-N 2.8Å; P133-Q136 WeakPolarHBondContact O-CB 3.42Å; P133-Q136 PolarHBondContact O-N 2.14Å; P133-L137 PolarHBondContact O-N 2.81Å
134E86.9Confident87.2Confident122 Ų12277.7 Ų77.757%0.5741%0.409SS*.Hα-helixtrans-54.2-30.7-175.7-65.3-172.9170.600114.3I123 V132 Q136 L137 N138I123-E134 HydrophobicContact CG2-CG 4.25Å; I123-E134 WeakPolarHBondContact CG2-OE1 3.39Å; V132-E134 PolarHBondContact O-N 2.94Å; E134-Q136 VanDerWaalsContact C-N 3.29Å; E134-Q136 PolarHBondContact O-N 2.66Å; E134-L137 PolarHBondContact O-N 3.19Å; E134-L137 VanDerWaalsContact O-N 3.14Å; E134-N138 PolarHBondContact O-N 2.61Å; E134-N138 PolarHBondContact O-ND2 3.16Å
135K85.6Confident87.4Confident195 Ų19571.2 Ų71.285%0.84838%0.382SS*.Hα-helixtrans-58.9-38.9174.4-67.1-176.8178.9-179.40112.4P133P133-K135 PolarHBondContact O-N 2.8Å
136Q84.9Confident87.6Confident91 Ų9171 Ų7143%0.42537%0.374SS..Hα-helixtrans-80.9-22.9175.9-67178.2-15.900112.5K73 V132 P133 E134 D139K73-Q136 WeakPolarHBondContact CD-O 3.4Å; K73-Q136 VanDerWaalsContact CE-O 3.27Å; K73-Q136 WeakPolarHBondContact CE-O 3.49Å; K73-Q136 PolarHBondContact NZ-O 3Å; V132-Q136 HydrophobicContact CG1-CB 4.01Å; P133-Q136 WeakPolarHBondContact O-CB 3.42Å; P133-Q136 PolarHBondContact O-N 2.14Å; E134-Q136 VanDerWaalsContact C-N 3.29Å; E134-Q136 PolarHBondContact O-N 2.66Å; Q136-D139 WeakPolarHBondContact O-CB 3.42Å
137L82.9Confident87.9Confident6 Ų668.4 Ų68.43%0.03135%0.346CS..Hα-helixtrans-75.5-35175.3-63.4-172.6000112.9K73 P74 I119 I123 V132 P133 E134 D139K73-L137 HydrophobicContact CB-CD2 3.8Å; K73-L137 HydrophobicContact CD-CD2 4.39Å; K73-L137 HydrophobicContact CG-CD2 4.06Å; P74-L137 VanDerWaalsContact CD-CD2 3.49Å; I119-L137 WeakPolarHBondContact CG2-O 3.33Å; I123-L137 HydrophobicContact CD1-CB 3.93Å; I123-L137 HydrophobicContact CD1-CD1 4.18Å; I123-L137 HydrophobicContact CG1-CB 4.47Å; I123-L137 HydrophobicContact CG1-CD1 3.89Å; V132-L137 HydrophobicContact CB-CD2 3.78Å; V132-L137 HydrophobicContact CB-CG 4.33Å; V132-L137 HydrophobicContact CG1-CD2 3.76Å; V132-L137 HydrophobicContact CG1-CG 4.3Å; P133-L137 PolarHBondContact O-N 2.81Å; E134-L137 PolarHBondContact O-N 3.19Å; E134-L137 VanDerWaalsContact O-N 3.14Å; L137-D139 PolarHBondContact O-N 3.35Å
138N80.3Confident88.2Confident72 Ų7268.2 Ų68.239%0.38535%0.346SS..SBendtrans-72.4-7.3175-77.4-84.4000113.4E134 I140E134-N138 PolarHBondContact O-N 2.61Å; E134-N138 PolarHBondContact O-ND2 3.16Å; N138-I140 PolarHBondContact O-N 3.29Å
139D81.8Confident88.5Confident73 Ų7368.8 Ų68.839%0.3935%0.345SS..  trans-81100.8173-172.70.1000110.5K73 Q136 L137K73-D139 PolarHBondContact NZ-O 3.04Å; Q136-D139 WeakPolarHBondContact O-CB 3.42Å; L137-D139 PolarHBondContact O-N 3.35Å
140I77.4Confident88.8Confident46 Ų4668.3 Ų68.324%0.23634%0.342CS..  trans-99.2-17.2-167.3-71.5155.8000112V115 K116 N138 D142 C143V115-I140 HydrophobicContact CB-CG2 4.47Å; V115-I140 HydrophobicContact CG1-CG2 3.65Å; K116-I140 HydrophobicContact CB-CD1 3.71Å; K116-I140 HydrophobicContact CD-CD1 4.1Å; K116-I140 HydrophobicContact CG-CD1 3.7Å; N138-I140 PolarHBondContact O-N 3.29Å; I140-D142 PolarHBondContact O-N 3.19Å; I140-C143 WeakPolarHBondContact O-CB 3.49Å; I140-C143 PolarHBondContact O-N 2.9Å
141E76Confident89Confident188 Ų18865.1 Ų65.188%0.87933%0.328SS*.THydrogen-bonded Turntrans-71.5-33.1-171-56.3-159165.800111.9C143E141-C143 VanDerWaalsContact C-N 3.25Å; E141-C143 PolarHBondContact O-N 3.36Å
142D74.8Confident89.3Confident131 Ų13158.6 Ų58.670%0.70129%0.293SS*.THydrogen-bonded Turntrans-72.9-4.4173.4-77.5-10.5000115I140 D144I140-D142 PolarHBondContact O-N 3.19Å; D142-D144 PolarHBondContact O-N 2.97Å
143C88.4Confident89.5Confident24 Ų2459.6 Ų59.616%0.16230%0.297CS..  trans-82.489.4-171-172.80000112.9P76 I140 E141 L145P76-C143 WeakPolarHBondContact CD-SG 3.46Å; I140-C143 WeakPolarHBondContact O-CB 3.49Å; I140-C143 PolarHBondContact O-N 2.9Å; E141-C143 VanDerWaalsContact C-N 3.25Å; E141-C143 PolarHBondContact O-N 3.36Å; C143-L145 PolarHBondContact O-N 3.14Å
144D93.6Very high89.8Confident66 Ų6656 Ų5635%0.35327%0.274SS..  trans-62.5108171.8-174.25000111.7H75 D142 N146 V147H75-D144 PolarHBondContact NE2-O 2.83Å; D142-D144 PolarHBondContact O-N 2.97Å; D144-N146 PolarHBondContact O-N 3.02Å; D144-N146 WeakPolarHBondContact OD1-CB 3.33Å; D144-N146 PolarHBondContact OD1-N 3.31Å; D144-N146 PolarHBondContact OD1-ND2 2.97Å; D144-V147 HydrophobicContact CB-CG1 3.89Å; D144-V147 VanDerWaalsContact OD2-CG1 3.32Å; D144-V147 WeakPolarHBondContact OD2-CG1 3.4Å
145L95.4Very high90.2Very high37 Ų3751.8 Ų51.819%0.19425%0.254CS..THydrogen-bonded Turntrans-75.9-7.2180-57.6179.8000113.3H75 P76 H77 K112 V115 C143H75-L145 WeakPolarHBondContact NE2-CA 2.99Å; P76-L145 HydrophobicContact CG-CD2 3.64Å; H77-L145 PolarHBondContact NE2-O 3.28Å; K112-L145 HydrophobicContact CB-CD1 4.43Å; V115-L145 HydrophobicContact CG2-CD1 3.92Å; V115-L145 HydrophobicContact CG2-CD2 3.79Å; V115-L145 HydrophobicContact CG2-CG 4.5Å; C143-L145 PolarHBondContact O-N 3.14Å
146N96.3Very high90.6Very high47 Ų4742.8 Ų42.825%0.25122%0.215SC..THydrogen-bonded Turntrans-93.4-0.5-177.9-46.5-75.8000112.7D144 Y176 D177 A180 T183D144-N146 PolarHBondContact O-N 3.02Å; D144-N146 WeakPolarHBondContact OD1-CB 3.33Å; D144-N146 PolarHBondContact OD1-N 3.31Å; D144-N146 PolarHBondContact OD1-ND2 2.97Å; N146-Y176 CarbonylContact O-C 3.53Å; N146-Y176 WeakPolarHBondContact O-CA 3.21Å; N146-D177 PolarHBondContact O-N 2.92Å; N146-A180 HydrophobicContact CB-CB 4.23Å; N146-A180 WeakPolarHBondContact OD1-CB 3.44Å; N146-T183 HydrophobicContact CB-CG2 3.9Å
147V96.9Very high90.9Very high2 Ų239.8 Ų39.81%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-144.8141.9-178.763.30000111.7K68 H75 D144 P174 I175 Y176K68-V147 HydrophobicContact CB-CG1 3.76Å; K68-V147 HydrophobicContact CB-CG2 4.02Å; K68-V147 HydrophobicContact CD-CG1 4.09Å; K68-V147 HydrophobicContact CD-CG2 4.11Å; K68-V147 HydrophobicContact CG-CG1 4.4Å; K68-V147 HydrophobicContact CG-CG2 4.11Å; H75-V147 PolarHBondContact NE2-O 2.9Å; D144-V147 HydrophobicContact CB-CG1 3.89Å; D144-V147 VanDerWaalsContact OD2-CG1 3.32Å; D144-V147 WeakPolarHBondContact OD2-CG1 3.4Å; V147-P174 HydrophobicContact CG2-CB 3.77Å; V147-I175 WeakPolarHBondContact CA-O 3.33Å; V147-Y176 HydrophobicContact CB-CD1 3.76Å; V147-Y176 HydrophobicContact CB-CE1 3.91Å; V147-Y176 HydrophobicContact CG2-CD1 3.61Å; V147-Y176 HydrophobicContact CG2-CE1 3.48Å; V147-Y176 VanDerWaalsContact CG2-CE1 3.48Å; V147-Y176 HydrophobicContact CG2-CG 4.3Å
148V97.7Very high91.1Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-137167.6170.9-51.30000110.3F23 L65 H75 I107 P174 I175F23-V148 HydrophobicContact CE2-CG1 4.13Å; F23-V148 HydrophobicContact CZ-CG1 4.21Å; F23-V148 HydrophobicContact CZ-CG2 4.17Å; L65-V148 HydrophobicContact CD1-CG1 4.4Å; L65-V148 HydrophobicContact CD2-CB 4.49Å; L65-V148 HydrophobicContact CD2-CG2 4.02Å; H75-V148 HydrophobicContact CB-CG1 4.48Å; I107-V148 HydrophobicContact CD1-CG2 3.48Å; I107-V148 VanDerWaalsContact CD1-CG2 3.48Å; V148-P174 CarbonylContact O-C 3.5Å; V148-P174 WeakPolarHBondContact O-CA 3.49Å; V148-I175 HydrophobicContact CG2-CB 4.17Å; V148-I175 PolarHBondContact N-O 3.36Å; V148-I175 PolarHBondContact O-N 2.92Å
149R98.3Very high91.3Very high46 Ų4647.4 Ų47.417%0.17424%0.238CC..EExtended strand (participates in β ladder)trans-122.8154.2158.3-63174.1-179.8-106.915.5110.1L65 V66 K68 V171 S172 P174L65-R149 WeakPolarHBondContact CA-O 3.25Å; V66-R149 HydrophobicContact CG2-CB 3.97Å; V66-R149 PolarHBondContact N-O 2.88Å; V66-R149 PolarHBondContact O-N 3.24Å; K68-R149 PolarHBondContact O-NE 2.92Å; K68-R149 PolarHBondContact O-NH2 3Å; K68-R149 VanDerWaalsContact O-NH2 3.17Å; R149-V171 HydrophobicContact CB-CG1 3.48Å; R149-V171 VanDerWaalsContact CB-CG1 3.48Å; R149-V171 VanDerWaalsContact CD-CG1 3.43Å; R149-V171 HydrophobicContact CG-CG1 4.09Å; R149-S172 WeakPolarHBondContact CD-O 3.23Å; R149-S172 PolarHBondContact NH1-O 2.89Å; R149-P174 HydrophobicContact CG-CB 4.23Å
150L98.5Very high91.3Very high0 Ų051.4 Ų51.40%025%0.254CS..EExtended strand (participates in β ladder)trans-82127166.1-52.8-178000108.4P16 I35 P48 I63 L65 L79 F152 V171 S172 I175P16-L150 HydrophobicContact CB-CD1 4.35Å; P16-L150 HydrophobicContact CG-CD1 4.28Å; I35-L150 HydrophobicContact CD1-CD1 4.46Å; I35-L150 HydrophobicContact CD1-CD2 4.09Å; P48-L150 HydrophobicContact CB-CD1 4.15Å; P48-L150 HydrophobicContact CG-CD1 4.3Å; I63-L150 HydrophobicContact CG2-CB 3.95Å; I63-L150 HydrophobicContact CG2-CD2 4.31Å; L65-L150 HydrophobicContact CD2-CD2 3.54Å; L79-L150 HydrophobicContact CD1-CD2 4.45Å; L150-F152 HydrophobicContact CB-CE2 4.12Å; L150-F152 HydrophobicContact CB-CZ 4.04Å; L150-F152 HydrophobicContact CD1-CZ 4.03Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.48Å; L150-S172 PolarHBondContact N-OG 3.16Å; L150-S172 PolarHBondContact O-N 2.93Å; L150-S172 PolarHBondContact O-OG 2.95Å; L150-I175 HydrophobicContact CD1-CD1 4.33Å; L150-I175 HydrophobicContact CD2-CD1 4.06Å; L150-I175 HydrophobicContact CG-CD1 3.95Å
151C98.3Very high91.4Very high0 Ų050.8 Ų50.80%026%0.258CS..EExtended strand (participates in β ladder)trans-105115.8168.31760000109.1I63 T64 V66 P129I63-C151 WeakPolarHBondContact CA-O 3.25Å; T64-C151 PolarHBondContact N-O 3.07Å; T64-C151 PolarHBondContact O-N 3Å; V66-C151 HydrophobicContact CG1-CB 3.71Å; V66-C151 HydrophobicContact CG2-CB 3.96Å; P129-C151 VanDerWaalsContact CB-SG 3.56Å
152F98.2Very high91.9Very high0 Ų046.2 Ų46.20%024%0.24CC..EExtended strand (participates in β ladder)trans-89.6123.8176.2-55.8-84.1000109.8I10 I12 I50 I63 F102 L150 P169 V170I10-F152 HydrophobicContact CG2-CB 4.48Å; I12-F152 HydrophobicContact CD1-CD2 4.03Å; I12-F152 HydrophobicContact CD1-CE2 3.74Å; I12-F152 HydrophobicContact CG1-CD2 4.18Å; I12-F152 HydrophobicContact CG1-CE2 4Å; I50-F152 HydrophobicContact CD1-CB 4.2Å; I50-F152 HydrophobicContact CD1-CD1 3.95Å; I50-F152 HydrophobicContact CD1-CG 4.3Å; I50-F152 HydrophobicContact CG2-CD1 3.66Å; I50-F152 HydrophobicContact CG2-CD2 3.98Å; I50-F152 HydrophobicContact CG2-CE1 3.75Å; I50-F152 HydrophobicContact CG2-CE2 4.05Å; I50-F152 HydrophobicContact CG2-CG 3.79Å; I50-F152 HydrophobicContact CG2-CZ 3.95Å; I63-F152 HydrophobicContact CD1-CD1 3.86Å; I63-F152 HydrophobicContact CD1-CE1 3.7Å; I63-F152 HydrophobicContact CG1-CD1 3.73Å; I63-F152 HydrophobicContact CG1-CE1 4.07Å; I63-F152 HydrophobicContact CG2-CD1 4.3Å; I63-F152 HydrophobicContact CG2-CE1 4.3Å; F102-F152 HydrophobicContact CD2-CD1 4.47Å; F102-F152 AromaticContact CD2-CE1 3.73Å; F102-F152 HydrophobicContact CD2-CE1 3.73Å; F102-F152 AromaticContact CE2-CD1 3.98Å; F102-F152 HydrophobicContact CE2-CD1 3.98Å; F102-F152 AromaticContact CE2-CE1 3.64Å; F102-F152 HydrophobicContact CE2-CE1 3.64Å; L150-F152 HydrophobicContact CB-CE2 4.12Å; L150-F152 HydrophobicContact CB-CZ 4.04Å; L150-F152 HydrophobicContact CD1-CZ 4.03Å; F152-P169 WeakPolarHBondContact O-CA 3.32Å; F152-V170 WeakPolarHBondContact CD2-O 3.24Å; F152-V170 PolarHBondContact N-O 3.3Å; F152-V170 PolarHBondContact O-N 2.68Å
153Q97.3Very high92.4Very high28 Ų2842.4 Ų42.413%0.13122%0.219CC..EExtended strand (participates in β ladder)trans-117.8134.6171.2-53.4-175.8-81.900108.4V61 R62 P129 F155 P169V61-Q153 WeakPolarHBondContact CA-O 3.48Å; R62-Q153 HydrophobicContact CB-CB 4.37Å; R62-Q153 PolarHBondContact N-O 3.47Å; R62-Q153 PolarHBondContact O-N 3.29Å; P129-Q153 HydrophobicContact CB-CG 4.31Å; Q153-F155 HydrophobicContact CB-CE2 3.94Å; Q153-F155 HydrophobicContact CB-CZ 4.15Å; Q153-P169 HydrophobicContact CG-CB 4.36Å
154V96.3Very high92.3Very high1 Ų145.5 Ų45.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-121.5130.5176.5167.30000109.3I10 I50 I52 K60 V61 F93 L156 L167I10-V154 HydrophobicContact CD1-CB 3.85Å; I10-V154 HydrophobicContact CD1-CG2 3.68Å; I10-V154 HydrophobicContact CG1-CB 4.09Å; I10-V154 HydrophobicContact CG1-CG2 3.88Å; I50-V154 HydrophobicContact CD1-CG2 4.26Å; I52-V154 HydrophobicContact CG1-CG1 4.05Å; I52-V154 HydrophobicContact CG1-CG2 4.15Å; K60-V154 WeakPolarHBondContact O-CA 3.45Å; V61-V154 HydrophobicContact CB-CG2 4.29Å; V61-V154 HydrophobicContact CG2-CG2 4.28Å; F93-V154 HydrophobicContact CE1-CG1 4.05Å; F93-V154 HydrophobicContact CZ-CG1 3.98Å; V154-L156 HydrophobicContact CG1-CD2 3.59Å; V154-L156 HydrophobicContact CG1-CG 4.24Å; V154-L167 HydrophobicContact CB-CB 4.36Å; V154-L167 HydrophobicContact CB-CD1 4.03Å; V154-L167 HydrophobicContact CB-CG 4.23Å; V154-L167 HydrophobicContact CG1-CD1 3.78Å; V154-L167 HydrophobicContact CG1-CG 4.11Å; V154-L167 PolarHBondContact O-N 2.96Å
155F95.3Very high92Very high34 Ų3445.5 Ų45.515%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-113.2121.5176.7-55.2-87.4000108.4K60 R62 Q153 L163 A166K60-F155 PolarHBondContact N-O 3.29Å; K60-F155 PolarHBondContact O-N 3.3Å; R62-F155 HydrophobicContact CB-CE2 4.01Å; Q153-F155 HydrophobicContact CB-CE2 3.94Å; Q153-F155 HydrophobicContact CB-CZ 4.15Å; F155-L163 HydrophobicContact CB-CB 4.3Å; F155-A166 HydrophobicContact CD1-CB 3.88Å; F155-A166 HydrophobicContact CE1-CB 3.9Å
156L93.7Very high91.9Very high6 Ų646.8 Ų46.83%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-101.2150.8178.7-56-174.1000110.3P8 Y55 F93 V154 L163 T164 T165 L167P8-L156 HydrophobicContact CB-CD1 4.06Å; P8-L156 HydrophobicContact CG-CD1 3.89Å; Y55-L156 HydrophobicContact CD1-CD2 3.84Å; Y55-L156 HydrophobicContact CD2-CD1 3.69Å; Y55-L156 HydrophobicContact CD2-CD2 4.43Å; Y55-L156 HydrophobicContact CE1-CD2 3.69Å; Y55-L156 HydrophobicContact CE2-CD1 3.83Å; Y55-L156 HydrophobicContact CE2-CD2 4.31Å; Y55-L156 HydrophobicContact CE2-CG 4.48Å; Y55-L156 HydrophobicContact CG-CD1 4.07Å; Y55-L156 HydrophobicContact CG-CD2 4.23Å; F93-L156 HydrophobicContact CZ-CD2 4.05Å; V154-L156 HydrophobicContact CG1-CD2 3.59Å; V154-L156 HydrophobicContact CG1-CG 4.24Å; L156-L163 CarbonylContact O-C 3.51Å; L156-T164 PolarHBondContact O-N 3.06Å; L156-T165 HydrophobicContact CB-CG2 4.41Å; L156-T165 PolarHBondContact N-O 3.2Å; L156-T165 PolarHBondContact O-N 3.31Å; L156-T165 VanDerWaalsContact O-N 3.12Å; L156-L167 HydrophobicContact CD1-CD1 4.22Å; L156-L167 HydrophobicContact CD1-CD2 3.76Å; L156-L167 HydrophobicContact CD1-CG 4.17Å; L156-L167 HydrophobicContact CG-CD1 4.44Å; L156-L167 HydrophobicContact CG-CD2 4.23Å; L156-L167 HydrophobicContact CG-CG 4.23Å
157P91.7Very high91.8Very high28 Ų2845.3 Ų45.318%0.18225%0.248CC..  trans-64.8138.2171.928.2-35.4000111.2Y55 K58 N162Y55-P157 WeakPolarHBondContact OH-CD 3.37Å; Y55-P157 WeakPolarHBondContact OH-CG 3.39Å; K58-P157 HydrophobicContact CG-CG 4.19Å; K58-P157 WeakPolarHBondContact O-CD 3.08Å; K58-P157 WeakPolarHBondContact O-CG 3.38Å; P157-N162 CarbonylContact C-O 3.48Å; P157-N162 VanDerWaalsContact CA-O 3.24Å; P157-N162 WeakPolarHBondContact CA-O 3.48Å
158D86.6Confident91.8Very high42 Ų4249.6 Ų49.623%0.22528%0.276CS..  trans-76.5-178.4164.257.735.6000112.4H160 G161 N162 T164D158-H160 PolarHBondContact O-N 3.48Å; D158-H160 VanDerWaalsContact O-N 3.12Å; D158-H160 WeakPolarHBondContact OD1-CA 3.22Å; D158-H160 WeakPolarHBondContact OD1-CB 3.21Å; D158-H160 PolarHBondContact OD1-N 2.69Å; D158-G161 WeakPolarHBondContact O-CA 3.14Å; D158-G161 PolarHBondContact O-N 3.35Å; D158-G161 PolarHBondContact OD1-N 3.26Å; D158-N162 VanDerWaalsContact CG-O 3.25Å; D158-N162 PolarHBondContact N-O 2.94Å; D158-N162 PolarHBondContact OD1-N 2.95Å; D158-T164 WeakPolarHBondContact CB-OG1 3.48Å; D158-T164 VanDerWaalsContact OD2-CG2 3.28Å; D158-T164 WeakPolarHBondContact OD2-CG2 3.11Å; D158-T164 PolarHBondContact OD2-OG1 3.35Å
159E84.3Confident91.7Very high196 Ų19651.6 Ų51.692%0.91629%0.289SS*.THydrogen-bonded Turntrans-58.6-20.4177.5-56.8-176.915300113.5
160H82.7Confident91.7Very high158 Ų15851.4 Ų51.473%0.73129%0.293SS*.THydrogen-bonded Turntrans-96.9-0.4176.8-55.481.8000112.1D158 N162D158-H160 PolarHBondContact O-N 3.48Å; D158-H160 VanDerWaalsContact O-N 3.12Å; D158-H160 WeakPolarHBondContact OD1-CA 3.22Å; D158-H160 WeakPolarHBondContact OD1-CB 3.21Å; D158-H160 PolarHBondContact OD1-N 2.69Å; H160-N162 WeakPolarHBondContact CB-ND2 3.32Å
161G79.4Confident91.7Very high32 Ų3252.8 Ų52.833%0.3330%0.302SS..SBendtrans86.44.1178.300000115.6D158D158-G161 WeakPolarHBondContact O-CA 3.14Å; D158-G161 PolarHBondContact O-N 3.35Å; D158-G161 PolarHBondContact OD1-N 3.26Å
162N85.4Confident91.7Very high93 Ų9352.9 Ų52.950%0.49730%0.302SS..  trans-89.3142.4-178.1-54.3-75.5000111.2P157 D158 H160 T164P157-N162 CarbonylContact C-O 3.48Å; P157-N162 VanDerWaalsContact CA-O 3.24Å; P157-N162 WeakPolarHBondContact CA-O 3.48Å; D158-N162 VanDerWaalsContact CG-O 3.25Å; D158-N162 PolarHBondContact N-O 2.94Å; D158-N162 PolarHBondContact OD1-N 2.95Å; H160-N162 WeakPolarHBondContact CB-ND2 3.32Å; N162-T164 HydrophobicContact CB-CG2 4.02Å; N162-T164 PolarHBondContact O-N 3.05Å
163L85.5Confident91.7Very high50 Ų5055 Ų5526%0.26231%0.313SS..SBendtrans-78.760-173.1-63.5167.5000113K60 F155 L156K60-L163 HydrophobicContact CB-CD1 3.77Å; K60-L163 HydrophobicContact CB-CD2 4.32Å; K60-L163 HydrophobicContact CD-CD1 3.94Å; K60-L163 HydrophobicContact CG-CD1 4.47Å; F155-L163 HydrophobicContact CB-CB 4.3Å; L156-L163 CarbonylContact O-C 3.51Å
164T86.1Confident91.7Very high89 Ų8954.1 Ų54.155%0.54631%0.31SS..  trans-98.6-24.3-173.458.20000113.7L156 D158 N162 A166L156-T164 PolarHBondContact O-N 3.06Å; D158-T164 WeakPolarHBondContact CB-OG1 3.48Å; D158-T164 VanDerWaalsContact OD2-CG2 3.28Å; D158-T164 WeakPolarHBondContact OD2-CG2 3.11Å; D158-T164 PolarHBondContact OD2-OG1 3.35Å; N162-T164 HydrophobicContact CB-CG2 4.02Å; N162-T164 PolarHBondContact O-N 3.05Å; T164-A166 PolarHBondContact O-N 3.5Å; T164-A166 VanDerWaalsContact O-N 3.12Å
165T89.1Confident91.8Very high66 Ų6654 Ų5441%0.40531%0.31SS..EExtended strand (participates in β ladder)trans-83.892.9-173.8-63.50000110.2L156L156-T165 HydrophobicContact CB-CG2 4.41Å; L156-T165 PolarHBondContact N-O 3.2Å; L156-T165 PolarHBondContact O-N 3.31Å; L156-T165 VanDerWaalsContact O-N 3.12Å
166A92.8Very high91.9Very high65 Ų6553.2 Ų53.254%0.53731%0.306SS..EExtended strand (participates in β ladder)trans-78.1128.717700000111.7F155 T164F155-A166 HydrophobicContact CD1-CB 3.88Å; F155-A166 HydrophobicContact CE1-CB 3.9Å; T164-A166 PolarHBondContact O-N 3.5Å; T164-A166 VanDerWaalsContact O-N 3.12Å
167L94.6Very high92Very high15 Ų1553.6 Ų53.68%0.07931%0.308CS..PPolyproline II helixtrans-78.6155.1168.4-57.9-169.4000110.7P8 I10 I52 V154 L156P8-L167 HydrophobicContact CB-CD1 4.3Å; P8-L167 HydrophobicContact CB-CD2 4.12Å; P8-L167 HydrophobicContact CG-CD2 3.81Å; I10-L167 HydrophobicContact CD1-CB 4.38Å; I10-L167 HydrophobicContact CG1-CB 4.29Å; I10-L167 HydrophobicContact CG1-CD1 4.1Å; I52-L167 HydrophobicContact CG2-CD1 3.8Å; V154-L167 HydrophobicContact CB-CB 4.36Å; V154-L167 HydrophobicContact CB-CD1 4.03Å; V154-L167 HydrophobicContact CB-CG 4.23Å; V154-L167 HydrophobicContact CG1-CD1 3.78Å; V154-L167 HydrophobicContact CG1-CG 4.11Å; V154-L167 PolarHBondContact O-N 2.96Å; L156-L167 HydrophobicContact CD1-CD1 4.22Å; L156-L167 HydrophobicContact CD1-CD2 3.76Å; L156-L167 HydrophobicContact CD1-CG 4.17Å; L156-L167 HydrophobicContact CG-CD1 4.44Å; L156-L167 HydrophobicContact CG-CD2 4.23Å; L156-L167 HydrophobicContact CG-CG 4.23Å
168P95.2Very high92.2Very high93 Ų9354.8 Ų54.860%0.60431%0.312SS*.PPolyproline II helixtrans-52.6131.7172.7-26.535.3000111.6
169P96.4Very high92.6Very high41 Ų4160.7 Ų60.727%0.26633%0.332SS..PPolyproline II helixtrans-67.8137.1-179.728.1-35.3000111.1F130 F152 Q153F130-P169 HydrophobicContact CD1-CG 4.14Å; F130-P169 HydrophobicContact CE1-CB 4.27Å; F130-P169 HydrophobicContact CE1-CG 3.58Å; F130-P169 HydrophobicContact CE2-CB 4.34Å; F130-P169 HydrophobicContact CE2-CG 4.34Å; F130-P169 HydrophobicContact CZ-CB 3.84Å; F130-P169 HydrophobicContact CZ-CG 3.67Å; F152-P169 WeakPolarHBondContact O-CA 3.32Å; Q153-P169 HydrophobicContact CG-CB 4.36Å
170V97.8Very high92.9Very high43 Ų4351.9 Ų51.926%0.26129%0.293SS..EExtended strand (participates in β ladder)trans-116.2136.4178.2178.50000109.7I10 I12 F152I10-V170 HydrophobicContact CB-CB 4.31Å; I10-V170 HydrophobicContact CB-CG2 3.85Å; I10-V170 HydrophobicContact CG2-CB 4.42Å; I10-V170 HydrophobicContact CG2-CG2 4.47Å; I12-V170 HydrophobicContact CD1-CG1 3.86Å; I12-V170 HydrophobicContact CG1-CG1 4.03Å; F152-V170 WeakPolarHBondContact CD2-O 3.24Å; F152-V170 PolarHBondContact N-O 3.3Å; F152-V170 PolarHBondContact O-N 2.68Å
171V98.3Very high93.3Very high29 Ų2945.6 Ų45.618%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-112.5135-172.8-1630000110.8V66 Y72 F130 R149 L150V66-V171 HydrophobicContact CG2-CG1 3.81Å; Y72-V171 HydrophobicContact CD1-CG1 4.49Å; Y72-V171 HydrophobicContact CD2-CG2 4.05Å; Y72-V171 HydrophobicContact CE1-CG1 4.33Å; Y72-V171 HydrophobicContact CE2-CG2 4.07Å; Y72-V171 HydrophobicContact CG-CG2 4.41Å; F130-V171 HydrophobicContact CE1-CG2 4.45Å; F130-V171 HydrophobicContact CE2-CG2 3.81Å; F130-V171 HydrophobicContact CZ-CG2 3.39Å; R149-V171 HydrophobicContact CB-CG1 3.48Å; R149-V171 VanDerWaalsContact CB-CG1 3.48Å; R149-V171 VanDerWaalsContact CD-CG1 3.43Å; R149-V171 HydrophobicContact CG-CG1 4.09Å; L150-V171 CarbonylContact O-C 3.57Å; L150-V171 WeakPolarHBondContact O-CA 3.48Å
172S98.4Very high94Very high1 Ų146.5 Ų46.51%0.00726%0.263CS..PPolyproline II helixtrans-73.9171.2179.6760000114.1R149 L150R149-S172 WeakPolarHBondContact CD-O 3.23Å; R149-S172 PolarHBondContact NH1-O 2.89Å; L150-S172 PolarHBondContact N-OG 3.16Å; L150-S172 PolarHBondContact O-N 2.93Å; L150-S172 PolarHBondContact O-OG 2.95Å
173N98.1Very high94.4Very high44 Ų4442.4 Ų42.424%0.23524%0.241CC..PPolyproline II helixtrans-51.2149157-78.1-12.1000111.3Q15 Q18 E38Q15-N173 HydrophobicContact CB-CB 4.4Å; Q15-N173 HydrophobicContact CG-CB 4.5Å; Q18-N173 HydrophobicContact CG-CB 4.06Å; Q18-N173 PolarHBondContact NE2-ND2 2.92Å; E38-N173 PolarHBondContact OE1-ND2 2.83Å; E38-N173 VanDerWaalsContact OE1-ND2 3.1Å
174P97.7Very high94.9Very high10 Ų1040.6 Ų40.67%0.06523%0.234CC..PPolyproline II helixtrans-70.1136.4179.329.4-34000111.8Q18 K68 V147 V148 R149 Y176Q18-P174 VanDerWaalsContact CA-O 3.31Å; Q18-P174 WeakPolarHBondContact CA-O 3.36Å; Q18-P174 VanDerWaalsContact CB-O 3.24Å; Q18-P174 WeakPolarHBondContact CB-O 3.41Å; Q18-P174 WeakPolarHBondContact CG-O 3.4Å; K68-P174 HydrophobicContact CG-CB 4.45Å; V147-P174 HydrophobicContact CG2-CB 3.77Å; V148-P174 CarbonylContact O-C 3.5Å; V148-P174 WeakPolarHBondContact O-CA 3.49Å; R149-P174 HydrophobicContact CG-CB 4.23Å; P174-Y176 HydrophobicContact CB-CE2 3.93Å; P174-Y176 HydrophobicContact CG-CE2 3.71Å
175I98.3Very high95.3Very high0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-103.8127.1173.1-47.8175.1000107.6P16 M21 F23 I35 I107 V147 V148 L150P16-I175 HydrophobicContact CB-CD1 3.58Å; P16-I175 HydrophobicContact CB-CG1 3.79Å; P16-I175 HydrophobicContact CG-CD1 3.81Å; P16-I175 HydrophobicContact CG-CG1 3.73Å; M21-I175 HydrophobicContact CE-CG2 3.91Å; F23-I175 HydrophobicContact CE1-CG2 4.13Å; I35-I175 HydrophobicContact CD1-CD1 4.11Å; I35-I175 HydrophobicContact CG1-CD1 4.34Å; I35-I175 HydrophobicContact CG2-CD1 3.89Å; I107-I175 HydrophobicContact CD1-CD1 4.21Å; I107-I175 HydrophobicContact CD1-CG2 4.35Å; V147-I175 WeakPolarHBondContact CA-O 3.33Å; V148-I175 HydrophobicContact CG2-CB 4.17Å; V148-I175 PolarHBondContact N-O 3.36Å; V148-I175 PolarHBondContact O-N 2.92Å; L150-I175 HydrophobicContact CD1-CD1 4.33Å; L150-I175 HydrophobicContact CD2-CD1 4.06Å; L150-I175 HydrophobicContact CG-CD1 3.95Å
176Y97.4Very high95.7Very high16 Ų1637.2 Ų37.26%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-110.1141.4-173.7-68.5-78.1000111.6Q18 M21 K68 N146 V147 P174 N178 T183Q18-Y176 HydrophobicContact CB-CD2 4.23Å; Q18-Y176 WeakPolarHBondContact O-CB 3.45Å; Q18-Y176 WeakPolarHBondContact O-CD2 3.04Å; Q18-Y176 PolarHBondContact O-N 3.16Å; M21-Y176 VanDerWaalsContact O-O 3.14Å; K68-Y176 VanDerWaalsContact CE-OH 3.28Å; K68-Y176 WeakPolarHBondContact CE-OH 3.31Å; K68-Y176 PolarHBondContact NZ-OH 2.73Å; N146-Y176 CarbonylContact O-C 3.53Å; N146-Y176 WeakPolarHBondContact O-CA 3.21Å; V147-Y176 HydrophobicContact CB-CD1 3.76Å; V147-Y176 HydrophobicContact CB-CE1 3.91Å; V147-Y176 HydrophobicContact CG2-CD1 3.61Å; V147-Y176 HydrophobicContact CG2-CE1 3.48Å; V147-Y176 VanDerWaalsContact CG2-CE1 3.48Å; V147-Y176 HydrophobicContact CG2-CG 4.3Å; P174-Y176 HydrophobicContact CB-CE2 3.93Å; P174-Y176 HydrophobicContact CG-CE2 3.71Å; Y176-N178 PolarHBondContact O-N 2.79Å; Y176-T183 HydrophobicContact CD1-CG2 3.84Å
177D97Very high95.9Very high15 Ų1539.9 Ų39.98%0.0820%0.203CC..  trans-75.9113.9178.7-169.73.2000111.4R22 F23 N146 R179 A180 T183R22-D177 WeakPolarHBondContact CA-OD1 3.29Å; F23-D177 HydrophobicContact CB-CB 4.42Å; F23-D177 HydrophobicContact CD1-CB 4.23Å; F23-D177 HydrophobicContact CD2-CB 3.63Å; F23-D177 HydrophobicContact CE1-CB 4.38Å; F23-D177 HydrophobicContact CE2-CB 3.82Å; F23-D177 HydrophobicContact CG-CB 3.85Å; F23-D177 HydrophobicContact CZ-CB 4.18Å; F23-D177 PolarHBondContact N-OD1 3.16Å; N146-D177 PolarHBondContact O-N 2.92Å; D177-R179 PolarHBondContact O-N 3.42Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 PolarHBondContact OD1-N 3.3Å; D177-R179 WeakPolarHBondContact OD2-CB 3.34Å; D177-A180 PolarHBondContact O-N 3.38Å; D177-T183 PolarHBondContact O-OG1 2.9Å
178N95.8Very high96.1Very high52 Ų5240 Ų4028%0.27820%0.204SC..THydrogen-bonded Turntrans-68.45.7173.7-157.623.7000114.2G20 M21 R22 Y176 A184 E185G20-N178 WeakPolarHBondContact CA-ND2 3.27Å; G20-N178 WeakPolarHBondContact O-CB 3.47Å; G20-N178 PolarHBondContact O-ND2 2.68Å; M21-N178 VanDerWaalsContact O-CB 3.25Å; M21-N178 WeakPolarHBondContact O-CB 3.35Å; M21-N178 PolarHBondContact O-N 2.78Å; R22-N178 HydrophobicContact CB-CB 4.34Å; Y176-N178 PolarHBondContact O-N 2.79Å; N178-A184 VanDerWaalsContact OD1-CA 3.29Å; N178-A184 WeakPolarHBondContact OD1-CA 3.48Å; N178-A184 VanDerWaalsContact OD1-CB 3.31Å; N178-A184 WeakPolarHBondContact OD1-CB 3.44Å; N178-E185 PolarHBondContact OD1-N 3.2Å
179R93.5Very high96.2Very high167 Ų16738 Ų3863%0.6319%0.191SC*.THydrogen-bonded Turntrans-88.5-24.4170.1-169.151.8171-178.70.2114.1R22 D177R22-R179 HydrophobicContact CG-CB 4.09Å; D177-R179 PolarHBondContact O-N 3.42Å; D177-R179 WeakPolarHBondContact OD1-CB 3.35Å; D177-R179 PolarHBondContact OD1-N 3.3Å; D177-R179 WeakPolarHBondContact OD2-CB 3.34Å
180A92.4Very high96.2Very high11 Ų1144.9 Ų44.99%0.09121%0.212CC..SBendtrans-101.3126.4-173.800000111.2N146 D177 N182 T183 A184N146-A180 HydrophobicContact CB-CB 4.23Å; N146-A180 WeakPolarHBondContact OD1-CB 3.44Å; D177-A180 PolarHBondContact O-N 3.38Å; A180-N182 VanDerWaalsContact C-N 3.25Å; A180-N182 PolarHBondContact O-N 2.66Å; A180-N182 VanDerWaalsContact O-N 3.15Å; A180-T183 WeakPolarHBondContact CB-OG1 3.39Å; A180-T183 CarbonylContact O-C 3.56Å; A180-T183 PolarHBondContact O-N 2.88Å; A180-T183 PolarHBondContact O-OG1 3.23Å; A180-A184 VanDerWaalsContact O-CB 3.26Å; A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.01Å
181P90Very high96.2Very high25 Ų2544.6 Ų44.616%0.16221%0.21CC..THydrogen-bonded Turntrans-71.7-13.2-165.528.7-36.2000115.1K210 Q212 R265P181-K210 HydrophobicContact CB-CD 4.2Å; P181-K210 HydrophobicContact CB-CG 4.12Å; P181-K210 WeakPolarHBondContact CB-O 3.17Å; P181-Q212 HydrophobicContact CB-CG 4.13Å; P181-Q212 HydrophobicContact CG-CG 4.26Å; P181-R265 PolarHBondContact O-NH1 3.2Å
182N93.4Very high96.2Very high52 Ų5247.1 Ų47.128%0.27822%0.223SC..THydrogen-bonded Turntrans-79.9-15.716955.4-54.9000113.2A180 R265A180-N182 VanDerWaalsContact C-N 3.25Å; A180-N182 PolarHBondContact O-N 2.66Å; A180-N182 VanDerWaalsContact O-N 3.15Å; N182-R265 VanDerWaalsContact O-CZ 3.27Å; N182-R265 PolarHBondContact O-NE 3.09Å; N182-R265 PolarHBondContact O-NH1 2.85Å
183T94.7Very high96.1Very high7 Ų750.7 Ų50.74%0.04324%0.238CC..THydrogen-bonded Turntrans-126.3-9-176.853.60000113.9R19 N146 Y176 D177 A180R19-T183 PolarHBondContact NH1-O 2.97Å; N146-T183 HydrophobicContact CB-CG2 3.9Å; Y176-T183 HydrophobicContact CD1-CG2 3.84Å; D177-T183 PolarHBondContact O-OG1 2.9Å; A180-T183 WeakPolarHBondContact CB-OG1 3.39Å; A180-T183 CarbonylContact O-C 3.56Å; A180-T183 PolarHBondContact O-N 2.88Å; A180-T183 PolarHBondContact O-OG1 3.23Å
184A95.3Very high96Very high12 Ų1253.5 Ų53.510%0.09925%0.253CS..SBendtrans-73.1142.5-178.900000113.3N178 A180 L186 R265N178-A184 VanDerWaalsContact OD1-CA 3.29Å; N178-A184 WeakPolarHBondContact OD1-CA 3.48Å; N178-A184 VanDerWaalsContact OD1-CB 3.31Å; N178-A184 WeakPolarHBondContact OD1-CB 3.44Å; A180-A184 VanDerWaalsContact O-CB 3.26Å; A180-A184 WeakPolarHBondContact O-CB 3.45Å; A180-A184 PolarHBondContact O-N 3.01Å; A184-L186 PolarHBondContact O-N 3.03Å; A184-R265 PolarHBondContact O-NH2 2.95Å
185E95.4Very high95.9Very high73 Ų7355.2 Ų55.234%0.34127%0.265SS..PPolyproline II helixtrans-55.9122.9-176.5-172.3169.8-138.800111R19 G20 N178 R187 E270R19-E185 HydrophobicContact CB-CB 4.24Å; R19-E185 HydrophobicContact CB-CG 4.33Å; G20-E185 WeakPolarHBondContact CA-OE2 3.44Å; N178-E185 PolarHBondContact OD1-N 3.2Å; E185-R187 PolarHBondContact O-N 2.98Å; E185-E270 WeakPolarHBondContact CA-OE1 3.35Å
186L97.1Very high95.8Very high10 Ų1055.5 Ų55.55%0.05227%0.268CS..PPolyproline II helixtrans-72.1126.6179.2-62.5-177.8000110.4A184 V211 I216 L263 R265 E270 S272A184-L186 PolarHBondContact O-N 3.03Å; L186-V211 HydrophobicContact CD2-CG1 4.2Å; L186-I216 HydrophobicContact CD1-CD1 4.48Å; L186-I216 HydrophobicContact CD2-CD1 3.97Å; L186-L263 HydrophobicContact CB-CB 4.28Å; L186-L263 HydrophobicContact CD1-CB 4.21Å; L186-R265 HydrophobicContact CD1-CB 4.07Å; L186-E270 HydrophobicContact CD1-CB 4.37Å; L186-E270 HydrophobicContact CD1-CG 4.17Å; L186-E270 WeakPolarHBondContact CD1-O 3.34Å; L186-E270 HydrophobicContact CG-CG 4.13Å; L186-S272 WeakPolarHBondContact O-CA 3.41Å; L186-S272 WeakPolarHBondContact O-CB 3.48Å
187R96.9Very high95.7Very high121 Ų12156.3 Ų56.346%0.45728%0.276SS..  trans-141.6127179.6-166.5168.161119.46.6112.8E185 C208 D209E185-R187 PolarHBondContact O-N 2.98Å; R187-C208 VanDerWaalsContact O-CA 3.27Å; R187-C208 WeakPolarHBondContact O-CA 3.35Å; R187-C208 VanDerWaalsContact O-CB 3.26Å; R187-C208 WeakPolarHBondContact O-CB 3.05Å; R187-D209 HydrophobicContact CB-CB 4.4Å; R187-D209 IonicContact CZ-OD1 2.67Å; R187-D209 IonicContact CZ-OD2 3.86Å; R187-D209 IonicContact NE-OD2 2.76Å; R187-D209 PolarHBondContact NE-OD2 2.59Å; R187-D209 IonicContact NH2-OD1 3.25Å; R187-D209 PolarHBondContact NH2-OD1 2.87Å; R187-D209 IonicContact NH2-OD2 2.92Å; R187-D209 PolarHBondContact NH2-OD2 3.3Å; R187-D209 PolarHBondContact O-N 2.81Å
188I98.1Very high95.6Very high19 Ų1956.2 Ų56.210%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-81117165.7-60.9176.7000107.3V191 L206 L263 M275I188-V191 HydrophobicContact CG2-CG1 3.95Å; I188-L206 HydrophobicContact CD1-CD1 4.1Å; I188-L206 HydrophobicContact CG1-CD1 4.18Å; I188-L206 HydrophobicContact CG1-CD2 4.46Å; I188-L206 HydrophobicContact CG2-CD1 4.35Å; I188-L206 HydrophobicContact CG2-CG 4.17Å; I188-L263 HydrophobicContact CD1-CG 4.37Å; I188-L263 HydrophobicContact CG1-CD1 3.98Å; I188-L263 HydrophobicContact CG1-CG 3.77Å; I188-M275 HydrophobicContact CB-CE 4.43Å; I188-M275 HydrophobicContact CD1-CB 4.41Å; I188-M275 HydrophobicContact CG2-CE 3.7Å; I188-M275 HydrophobicContact CG2-SD 4.1Å
189C97.5Very high95.6Very high50 Ų5062.1 Ų62.134%0.33829%0.294SS..EExtended strand (participates in β ladder)trans-90.1-45-178.2-67.70000111.7L207C189-L207 WeakPolarHBondContact CA-O 3.41Å; C189-L207 WeakPolarHBondContact CB-O 3.49Å; C189-L207 PolarHBondContact N-O 2.74Å
190R97.6Very high95.7Very high186 Ų18654.9 Ų54.970%0.70227%0.272SS*.EExtended strand (participates in β ladder)trans-155.4158.2176.7-62.2-171.7179.2174.5-0.5111.2L207R190-L207 HydrophobicContact CB-CB 4.32Å; R190-L207 HydrophobicContact CB-CD1 4.31Å; R190-L207 PolarHBondContact N-O 2.74Å; R190-L207 PolarHBondContact O-N 2.94Å
191V98.1Very high95.9Very high36 Ų3656.6 Ų56.622%0.21829%0.291CS..EExtended strand (participates in β ladder)trans-133.3150.8169.5-61.40000110.6I188 K193 F205 L206 M261 M275I188-V191 HydrophobicContact CG2-CG1 3.95Å; V191-K193 WeakPolarHBondContact CG2-O 3.32Å; V191-F205 WeakPolarHBondContact CA-O 3.4Å; V191-L206 HydrophobicContact CG1-CB 4.25Å; V191-L206 HydrophobicContact CG1-CD1 4.27Å; V191-L206 HydrophobicContact CG1-CG 4.01Å; V191-M261 HydrophobicContact CG1-CE 3.88Å; V191-M275 HydrophobicContact CB-SD 4.42Å; V191-M275 HydrophobicContact CG1-SD 3.92Å; V191-M275 HydrophobicContact CG2-SD 3.62Å
192N97.7Very high96.3Very high82 Ų8257.6 Ų57.644%0.43929%0.294SS..SBendtrans-77-27.2176.471.3-30.2000113.8I204 F205N192-I204 WeakPolarHBondContact OD1-CA 3.29Å; N192-F205 HydrophobicContact CB-CB 4.14Å; N192-F205 PolarHBondContact N-O 3.01Å; N192-F205 PolarHBondContact OD1-N 3.48Å
193K95.8Very high96.5Very high77 Ų7759.1 Ų59.134%0.33530%0.3SS..  trans-141.3139.7-178.9-64.1172.1-175.2166.40109V191 D202 E203 I204V191-K193 WeakPolarHBondContact CG2-O 3.32Å; K193-D202 IonicContact NZ-OD1 3.85Å; K193-E203 WeakPolarHBondContact CE-O 3.33Å; K193-E203 PolarHBondContact NZ-O 2.98Å; K193-I204 HydrophobicContact CB-CD1 3.88Å; K193-I204 HydrophobicContact CD-CD1 4.02Å
194N95.9Very high96.7Very high102 Ų10258.8 Ų58.855%0.54530%0.298SS..SBendtrans-116.416172.562.7-5.1000112.2F277 R278N194-F277 CarbonylContact O-C 3.36Å; N194-F277 WeakPolarHBondContact O-CA 3.5Å; N194-R278 PolarHBondContact O-N 3.32Å
195C96.5Very high96.8Very high47 Ų4763 Ų6332%0.31831%0.314SS..EExtended strand (participates in β ladder)trans-150.2163.4174.661.10000111.6R278 L280C195-R278 WeakPolarHBondContact CA-O 3.17Å; C195-R278 HydrophobicContact CB-CB 4.09Å; C195-R278 WeakPolarHBondContact CB-O 3.43Å; C195-L280 HydrophobicContact CB-CD1 4.39Å; C195-L280 HydrophobicContact CB-CG 4.37Å
196G95.9Very high97Very high6 Ų659.5 Ų59.56%0.06230%0.298CS..EExtended strand (participates in β ladder)trans-174.1175.5-178.900000112.3D202 R278 Y279 L280G196-D202 WeakPolarHBondContact CA-OD2 3.43Å; G196-R278 PolarHBondContact N-O 3.02Å; G196-R278 VanDerWaalsContact N-O 3.16Å; G196-Y279 CarbonylContact O-C 3.6Å; G196-Y279 WeakPolarHBondContact O-CA 3.45Å; G196-L280 PolarHBondContact O-N 3.02Å
197S95.1Very high97.1Very high33 Ų3363.1 Ų63.123%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-67.2141.3179.21800000111.8R199 G200 D202 Y279S197-R199 PolarHBondContact O-N 2.72Å; S197-R199 PolarHBondContact OG-N 2.79Å; S197-G200 PolarHBondContact O-N 2.77Å; S197-D202 PolarHBondContact N-OD2 3.39Å; S197-Y279 WeakPolarHBondContact O-CD1 3.31Å
198V95.8Very high97.1Very high12 Ų1257.8 Ų57.87%0.07330%0.298CS..THydrogen-bonded Turntrans-49.7-26.1168.468.30000113G200 Y249 K251 I253 L280 D282V198-G200 VanDerWaalsContact C-N 3.27Å; V198-G200 PolarHBondContact O-N 2.69Å; V198-Y249 HydrophobicContact CG2-CD1 3.93Å; V198-Y249 HydrophobicContact CG2-CG 4.4Å; V198-Y249 PolarHBondContact O-N 2.76Å; V198-K251 WeakPolarHBondContact CG2-O 3.48Å; V198-I253 HydrophobicContact CB-CD1 3.93Å; V198-I253 HydrophobicContact CB-CG1 4.01Å; V198-I253 HydrophobicContact CG2-CD1 3.85Å; V198-I253 HydrophobicContact CG2-CG1 3.79Å; V198-I253 HydrophobicContact CG2-CG2 4.24Å; V198-L280 WeakPolarHBondContact CB-O 3.39Å; V198-L280 PolarHBondContact N-O 3.45Å; V198-D282 HydrophobicContact CG1-CB 3.85Å
199R95.3Very high97Very high176 Ų17659.9 Ų59.966%0.66431%0.309SS*.THydrogen-bonded Turntrans-75.1-9.4177.5-66.5-18058-171.8-4.2114.6S197 D282S197-R199 PolarHBondContact O-N 2.72Å; S197-R199 PolarHBondContact OG-N 2.79Å; R199-D282 VanDerWaalsContact CD-CG 3.41Å; R199-D282 VanDerWaalsContact CD-OD1 3.24Å; R199-D282 WeakPolarHBondContact CD-OD1 3.4Å; R199-D282 WeakPolarHBondContact CD-OD2 3.36Å; R199-D282 HydrophobicContact CG-CB 4.38Å
200G96Very high97Very high16 Ų1662.7 Ų62.717%0.16532%0.316CS..  trans68.2-168.5-173.400000113.2S197 V198 D202 T246 P247S197-G200 PolarHBondContact O-N 2.77Å; V198-G200 VanDerWaalsContact C-N 3.27Å; V198-G200 PolarHBondContact O-N 2.69Å; G200-D202 VanDerWaalsContact C-N 3.33Å; G200-T246 WeakPolarHBondContact CA-O 3.48Å; G200-T246 WeakPolarHBondContact CA-OG1 3.49Å; G200-P247 WeakPolarHBondContact CA-O 3.27Å
201G96.8Very high97Very high47 Ų4753.9 Ų53.949%0.48528%0.283SS..  trans86.9-6.3179.400000115E203 T246G201-E203 PolarHBondContact O-N 2.95Å; G201-T246 PolarHBondContact N-O 3.14Å; G201-T246 PolarHBondContact N-OG1 2.97Å
202D96.9Very high96.9Very high45 Ų4555 Ų5524%0.24129%0.286CS..  trans-64.6126.6175.1-82.1-73.7000110.9K193 G196 S197 G200 I204 K245 T246K193-D202 IonicContact NZ-OD1 3.85Å; G196-D202 WeakPolarHBondContact CA-OD2 3.43Å; S197-D202 PolarHBondContact N-OD2 3.39Å; G200-D202 VanDerWaalsContact C-N 3.33Å; D202-I204 HydrophobicContact CB-CD1 4.4Å; D202-I204 PolarHBondContact O-N 2.78Å; D202-K245 CarbonylContact O-C 3.34Å; D202-K245 WeakPolarHBondContact O-CA 3.33Å; D202-T246 HydrophobicContact CB-CG2 4.04Å; D202-T246 WeakPolarHBondContact CB-OG1 3.33Å; D202-T246 PolarHBondContact N-OG1 3.2Å; D202-T246 VanDerWaalsContact N-OG1 3.09Å; D202-T246 PolarHBondContact O-N 2.83Å
203E98.2Very high96.8Very high84 Ų8455 Ų5539%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-77.4123.4175.7-164.1168.5-86.500111.2K193 G201 F205 V243K193-E203 WeakPolarHBondContact CE-O 3.33Å; K193-E203 PolarHBondContact NZ-O 2.98Å; G201-E203 PolarHBondContact O-N 2.95Å; E203-F205 HydrophobicContact CG-CE2 3.99Å; E203-V243 HydrophobicContact CG-CG1 3.8Å
204I98.4Very high96.9Very high0 Ų056.1 Ų56.10%029%0.291CS..EExtended strand (participates in β ladder)trans-115.6136-178.6-48.3-60.6000108.6N192 K193 D202 V243 F244 T246 F277N192-I204 WeakPolarHBondContact OD1-CA 3.29Å; K193-I204 HydrophobicContact CB-CD1 3.88Å; K193-I204 HydrophobicContact CD-CD1 4.02Å; D202-I204 HydrophobicContact CB-CD1 4.4Å; D202-I204 PolarHBondContact O-N 2.78Å; I204-V243 WeakPolarHBondContact O-CA 3.38Å; I204-F244 HydrophobicContact CB-CD1 4.1Å; I204-F244 HydrophobicContact CB-CD2 4.45Å; I204-F244 HydrophobicContact CB-CE1 3.63Å; I204-F244 HydrophobicContact CB-CE2 3.98Å; I204-F244 HydrophobicContact CB-CG 4.49Å; I204-F244 HydrophobicContact CB-CZ 3.55Å; I204-F244 HydrophobicContact CG1-CD2 4.46Å; I204-F244 HydrophobicContact CG1-CE1 4.33Å; I204-F244 HydrophobicContact CG1-CE2 3.8Å; I204-F244 HydrophobicContact CG1-CZ 3.73Å; I204-F244 HydrophobicContact CG2-CD1 4.45Å; I204-F244 HydrophobicContact CG2-CE1 3.61Å; I204-F244 HydrophobicContact CG2-CZ 3.64Å; I204-F244 PolarHBondContact N-O 2.97Å; I204-F244 PolarHBondContact O-N 3.35Å; I204-T246 HydrophobicContact CD1-CG2 3.79Å; I204-T246 HydrophobicContact CG1-CG2 3.6Å; I204-F277 HydrophobicContact CD1-CE2 3.93Å; I204-F277 HydrophobicContact CD1-CZ 4.46Å
205F98.5Very high97Very high101 Ų10152.1 Ų52.144%0.44327%0.27SS..EExtended strand (participates in β ladder)trans-109.8110.8171.3-72.5-113.9000107.2V191 N192 E203 V243V191-F205 WeakPolarHBondContact CA-O 3.4Å; N192-F205 HydrophobicContact CB-CB 4.14Å; N192-F205 PolarHBondContact N-O 3.01Å; N192-F205 PolarHBondContact OD1-N 3.48Å; E203-F205 HydrophobicContact CG-CE2 3.99Å; F205-V243 HydrophobicContact CD1-CG2 3.71Å; F205-V243 HydrophobicContact CD2-CG1 4.38Å; F205-V243 HydrophobicContact CE1-CG1 4.37Å; F205-V243 HydrophobicContact CE1-CG2 3.66Å; F205-V243 HydrophobicContact CE2-CG1 4.09Å; F205-V243 HydrophobicContact CG-CG2 4.28Å; F205-V243 HydrophobicContact CZ-CG1 4.08Å; F205-V243 HydrophobicContact CZ-CG2 4.2Å
206L98.6Very high97.1Very high0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-109.4122.7-177.6-177.4157.9000109I188 V191 C208 V218 A241 I242 F244 L263I188-L206 HydrophobicContact CD1-CD1 4.1Å; I188-L206 HydrophobicContact CG1-CD1 4.18Å; I188-L206 HydrophobicContact CG1-CD2 4.46Å; I188-L206 HydrophobicContact CG2-CD1 4.35Å; I188-L206 HydrophobicContact CG2-CG 4.17Å; V191-L206 HydrophobicContact CG1-CB 4.25Å; V191-L206 HydrophobicContact CG1-CD1 4.27Å; V191-L206 HydrophobicContact CG1-CG 4.01Å; L206-C208 HydrophobicContact CD2-CB 3.76Å; L206-V218 HydrophobicContact CD1-CG2 4.45Å; L206-A241 CarbonylContact O-C 3.49Å; L206-A241 WeakPolarHBondContact O-CA 3.47Å; L206-A241 WeakPolarHBondContact O-CB 3.27Å; L206-I242 PolarHBondContact N-O 3.1Å; L206-I242 PolarHBondContact O-N 3.46Å; L206-F244 HydrophobicContact CB-CE1 4.01Å; L206-F244 HydrophobicContact CD1-CE1 3.96Å; L206-L263 HydrophobicContact CD1-CD2 4.36Å; L206-L263 HydrophobicContact CD2-CD1 4.48Å; L206-L263 HydrophobicContact CD2-CD2 4.1Å
207L98.6Very high97.2Very high86 Ų8651.1 Ų51.145%0.4526%0.259SS..EExtended strand (participates in β ladder)trans-95.4134.6171.8-55.5-175.1000108.8C189 R190 A241C189-L207 WeakPolarHBondContact CA-O 3.41Å; C189-L207 WeakPolarHBondContact CB-O 3.49Å; C189-L207 PolarHBondContact N-O 2.74Å; R190-L207 HydrophobicContact CB-CB 4.32Å; R190-L207 HydrophobicContact CB-CD1 4.31Å; R190-L207 PolarHBondContact N-O 2.74Å; R190-L207 PolarHBondContact O-N 2.94Å; L207-A241 HydrophobicContact CD2-CB 3.7Å
208C98Very high97.3Very high9 Ų949.6 Ų49.66%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-141.4169.4-174530000112R187 L206 V240 L263R187-C208 VanDerWaalsContact O-CA 3.27Å; R187-C208 WeakPolarHBondContact O-CA 3.35Å; R187-C208 VanDerWaalsContact O-CB 3.26Å; R187-C208 WeakPolarHBondContact O-CB 3.05Å; L206-C208 HydrophobicContact CD2-CB 3.76Å; C208-V240 PolarHBondContact N-O 2.84Å; C208-V240 VanDerWaalsContact O-O 3.13Å; C208-V240 VanDerWaalsContact SG-C 3.59Å; C208-L263 HydrophobicContact CB-CD1 3.79Å
209D96.7Very high97.4Very high63 Ų6351.9 Ų51.934%0.33726%0.256SS..SBendtrans-71.3179.1162-75.4-18.9000111.1R187 V211R187-D209 HydrophobicContact CB-CB 4.4Å; R187-D209 IonicContact CZ-OD1 2.67Å; R187-D209 IonicContact CZ-OD2 3.86Å; R187-D209 IonicContact NE-OD2 2.76Å; R187-D209 PolarHBondContact NE-OD2 2.59Å; R187-D209 IonicContact NH2-OD1 3.25Å; R187-D209 PolarHBondContact NH2-OD1 2.87Å; R187-D209 IonicContact NH2-OD2 2.92Å; R187-D209 PolarHBondContact NH2-OD2 3.3Å; R187-D209 PolarHBondContact O-N 2.81Å; D209-V211 PolarHBondContact O-N 2.82Å; D209-V211 VanDerWaalsContact O-N 3.14Å
210K96.6Very high97.6Very high108 Ų10843.5 Ų43.547%0.4722%0.224SC..SBendtrans-74108.1-161.9-166.7-177.4178.3178.20113.9P181 Q239P181-K210 HydrophobicContact CB-CD 4.2Å; P181-K210 HydrophobicContact CB-CG 4.12Å; P181-K210 WeakPolarHBondContact CB-O 3.17Å; K210-Q239 VanDerWaalsContact CA-O 3.32Å; K210-Q239 WeakPolarHBondContact CA-O 3.45Å; K210-Q239 VanDerWaalsContact CE-CD 3.45Å; K210-Q239 HydrophobicContact CG-CB 3.98Å
211V97.2Very high97.6Very high2 Ų244 Ų441%0.01222%0.224CC..  trans-101.5164.9-179.9-64.20000113.9L186 D209 I216 V236 Q239L186-V211 HydrophobicContact CD2-CG1 4.2Å; D209-V211 PolarHBondContact O-N 2.82Å; D209-V211 VanDerWaalsContact O-N 3.14Å; V211-I216 HydrophobicContact CB-CB 4.3Å; V211-I216 HydrophobicContact CB-CD1 4.04Å; V211-I216 HydrophobicContact CB-CG1 3.96Å; V211-I216 HydrophobicContact CG1-CD1 3.6Å; V211-I216 HydrophobicContact CG1-CG1 3.93Å; V211-I216 HydrophobicContact CG2-CG1 4.31Å; V211-I216 HydrophobicContact CG2-CG2 4.49Å; V211-V236 HydrophobicContact CG2-CG1 4.03Å; V211-Q239 PolarHBondContact N-O 2.93Å; V211-Q239 VanDerWaalsContact O-CB 3.27Å; V211-Q239 WeakPolarHBondContact O-CB 3.29Å; V211-Q239 WeakPolarHBondContact O-CG 3.32Å; V211-Q239 PolarHBondContact O-NE2 2.91Å
212Q97Very high97.6Very high59 Ų5944.1 Ų44.128%0.27621%0.213SC..  trans-99125.2168.4-67.1-166.2-20.100110.2P181 D214 D215 I216P181-Q212 HydrophobicContact CB-CG 4.13Å; P181-Q212 HydrophobicContact CG-CG 4.26Å; Q212-D214 PolarHBondContact O-N 2.79Å; Q212-D214 VanDerWaalsContact O-N 3.12Å; Q212-D215 HydrophobicContact CB-CB 4.28Å; Q212-D215 CarbonylContact O-C 3.56Å; Q212-D215 PolarHBondContact O-N 2.82Å; Q212-D215 VanDerWaalsContact O-N 3.1Å; Q212-I216 WeakPolarHBondContact O-CB 3.44Å; Q212-I216 WeakPolarHBondContact O-CG2 3.29Å; Q212-I216 PolarHBondContact O-N 2.93Å
213K96.1Very high97.4Very high81 Ų8148.6 Ų48.635%0.35224%0.237SC..THydrogen-bonded Turntrans-62.9-22.2-173.979.8-172.5-158.5-34.80114.1Q233 V236K213-Q233 HydrophobicContact CD-CB 4.25Å; K213-Q233 HydrophobicContact CG-CB 4.2Å; K213-V236 HydrophobicContact CB-CB 3.74Å; K213-V236 HydrophobicContact CB-CG1 3.85Å; K213-V236 HydrophobicContact CB-CG2 4.01Å
214D96.9Very high97.1Very high101 Ų10152.6 Ų52.654%0.5426%0.261SS..THydrogen-bonded Turntrans-92.6-11.4-176.5-53.4-72.2000112.5Q212 Q233Q212-D214 PolarHBondContact O-N 2.79Å; Q212-D214 VanDerWaalsContact O-N 3.12Å; D214-Q233 PolarHBondContact OD1-NE2 2.79Å; D214-Q233 PolarHBondContact OD1-OE1 2.84Å; D214-Q233 VanDerWaalsContact OD1-OE1 3.07Å
215D97.4Very high97Very high19 Ų1954.4 Ų54.410%0.10227%0.268CS..SBendtrans-14453.3-170.3-175.434.4000109.8Q212 R265 P266 S267Q212-D215 HydrophobicContact CB-CB 4.28Å; Q212-D215 CarbonylContact O-C 3.56Å; Q212-D215 PolarHBondContact O-N 2.82Å; Q212-D215 VanDerWaalsContact O-N 3.1Å; D215-R265 VanDerWaalsContact CG-CG 3.45Å; D215-R265 WeakPolarHBondContact OD1-CG 3.27Å; D215-R265 VanDerWaalsContact OD2-CD 3.29Å; D215-R265 WeakPolarHBondContact OD2-CD 3.4Å; D215-R265 WeakPolarHBondContact OD2-CG 3.43Å; D215-P266 VanDerWaalsContact OD1-CD 3.27Å; D215-P266 WeakPolarHBondContact OD1-CD 3.42Å; D215-S267 VanDerWaalsContact CG-OG 3.3Å; D215-S267 VanDerWaalsContact OD1-CB 3.32Å; D215-S267 WeakPolarHBondContact OD1-CB 3.44Å; D215-S267 PolarHBondContact OD1-N 2.77Å; D215-S267 PolarHBondContact OD1-OG 2.93Å; D215-S267 VanDerWaalsContact OD2-CB 3.29Å; D215-S267 WeakPolarHBondContact OD2-CB 3.44Å; D215-S267 PolarHBondContact OD2-OG 2.86Å
216I98.3Very high96.9Very high13 Ų1353.1 Ų53.17%0.06726%0.263CS..  trans-150.5139.5177-166.266.1000110.5L186 V211 Q212 F231 V236 I242 L263L186-I216 HydrophobicContact CD1-CD1 4.48Å; L186-I216 HydrophobicContact CD2-CD1 3.97Å; V211-I216 HydrophobicContact CB-CB 4.3Å; V211-I216 HydrophobicContact CB-CD1 4.04Å; V211-I216 HydrophobicContact CB-CG1 3.96Å; V211-I216 HydrophobicContact CG1-CD1 3.6Å; V211-I216 HydrophobicContact CG1-CG1 3.93Å; V211-I216 HydrophobicContact CG2-CG1 4.31Å; V211-I216 HydrophobicContact CG2-CG2 4.49Å; Q212-I216 WeakPolarHBondContact O-CB 3.44Å; Q212-I216 WeakPolarHBondContact O-CG2 3.29Å; Q212-I216 PolarHBondContact O-N 2.93Å; I216-F231 HydrophobicContact CG2-CE2 4.37Å; I216-F231 HydrophobicContact CG2-CZ 4.37Å; I216-V236 HydrophobicContact CG2-CG2 4.32Å; I216-I242 HydrophobicContact CG1-CD1 3.91Å; I216-I242 HydrophobicContact CG2-CD1 4.33Å; I216-L263 HydrophobicContact CD1-CB 4.2Å; I216-L263 HydrophobicContact CD1-CD2 4.31Å; I216-L263 HydrophobicContact CG1-CD2 4.38Å
217E98.2Very high96.9Very high19 Ų1954 Ų549%0.08927%0.271CS..EExtended strand (participates in β ladder)trans-139.1156.5169.165.5-179.8-128.300111.4K228 L263 R264 P266E217-K228 VanDerWaalsContact CD-NZ 3.33Å; E217-K228 WeakPolarHBondContact OE1-CE 3.17Å; E217-K228 IonicContact OE1-NZ 3.47Å; E217-K228 PolarHBondContact OE1-NZ 3.35Å; E217-K228 WeakPolarHBondContact OE2-CE 3.4Å; E217-K228 IonicContact OE2-NZ 3.48Å; E217-K228 PolarHBondContact OE2-NZ 2.8Å; E217-L263 WeakPolarHBondContact O-CA 3.1Å; E217-R264 HydrophobicContact CG-CB 3.78Å; E217-R264 HydrophobicContact CG-CG 4.08Å; E217-R264 PolarHBondContact N-O 3.23Å; E217-R264 PolarHBondContact O-N 2.88Å; E217-R264 WeakPolarHBondContact OE1-CD 3.48Å; E217-R264 IonicContact OE1-CZ 3.77Å; E217-R264 IonicContact OE1-NE 3.35Å; E217-R264 IonicContact OE1-NH1 2.77Å; E217-R264 PolarHBondContact OE1-NH1 3.02Å; E217-P266 HydrophobicContact CG-CG 4.32Å
218V98.5Very high96.8Very high0 Ų054.6 Ų54.60%027%0.27CS..EExtended strand (participates in β ladder)trans-101118.7170.3-174.20000107.5L206 F220 K228 G229 F231 I242 F244 M261 L263L206-V218 HydrophobicContact CD1-CG2 4.45Å; V218-F220 HydrophobicContact CG1-CD2 4.46Å; V218-F220 HydrophobicContact CG1-CE2 3.83Å; V218-F220 HydrophobicContact CG1-CZ 4.47Å; V218-K228 CarbonylContact O-C 3.5Å; V218-K228 WeakPolarHBondContact O-CA 3.49Å; V218-G229 PolarHBondContact O-N 2.89Å; V218-F231 HydrophobicContact CG2-CE1 4.04Å; V218-I242 HydrophobicContact CG2-CD1 4.33Å; V218-I242 HydrophobicContact CG2-CG2 4.5Å; V218-F244 HydrophobicContact CB-CE1 4.46Å; V218-F244 HydrophobicContact CB-CZ 4.48Å; V218-F244 HydrophobicContact CG1-CE1 4.05Å; V218-F244 HydrophobicContact CG1-CE2 4.17Å; V218-F244 HydrophobicContact CG1-CZ 3.8Å; V218-F244 HydrophobicContact CG2-CD1 3.93Å; V218-F244 HydrophobicContact CG2-CE1 4.01Å; V218-F244 HydrophobicContact CG2-CG 4.33Å; V218-M261 HydrophobicContact CG1-CG 3.85Å; V218-M261 HydrophobicContact CG1-SD 4.25Å; V218-L263 HydrophobicContact CG2-CD2 4.11Å
219R98Very high96.9Very high60 Ų6054.6 Ų54.623%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-109.7124.9-174.8-172.6-171.8178.6-144.52.5110.1V221 E226 M261 Q262 R264R219-V221 HydrophobicContact CG-CG2 3.73Å; R219-E226 HydrophobicContact CG-CG 4Å; R219-E226 IonicContact CZ-OE2 3.48Å; R219-E226 IonicContact NE-OE1 3.62Å; R219-E226 IonicContact NE-OE2 2.76Å; R219-E226 PolarHBondContact NE-OE2 3.49Å; R219-E226 IonicContact NH2-OE2 2.72Å; R219-E226 PolarHBondContact NH2-OE2 2.82Å; R219-M261 WeakPolarHBondContact O-CA 3.17Å; R219-Q262 HydrophobicContact CB-CG 4.06Å; R219-Q262 PolarHBondContact N-O 2.86Å; R219-Q262 PolarHBondContact O-N 3.12Å; R219-R264 HydrophobicContact CB-CB 4.48Å
220F98.3Very high96.9Very high0 Ų056.5 Ų56.50%028%0.28CS..EExtended strand (participates in β ladder)trans-99.9132170.7-68.5-103.2000108.5V218 W225 E226 A227 F244 T246 P247 V259 K260 M261 F277V218-F220 HydrophobicContact CG1-CD2 4.46Å; V218-F220 HydrophobicContact CG1-CE2 3.83Å; V218-F220 HydrophobicContact CG1-CZ 4.47Å; F220-W225 HydrophobicContact CB-CH2 3.9Å; F220-W225 HydrophobicContact CB-CZ3 3.92Å; F220-E226 WeakPolarHBondContact O-CA 3.34Å; F220-A227 PolarHBondContact N-O 3.44Å; F220-A227 PolarHBondContact O-N 2.95Å; F220-F244 AromaticContact CE2-CE2 3.64Å; F220-F244 HydrophobicContact CE2-CE2 3.64Å; F220-F244 HydrophobicContact CE2-CZ 4.16Å; F220-F244 AromaticContact CZ-CE2 3.62Å; F220-F244 HydrophobicContact CZ-CE2 3.62Å; F220-F244 AromaticContact CZ-CZ 3.92Å; F220-F244 HydrophobicContact CZ-CZ 3.92Å; F220-T246 HydrophobicContact CZ-CG2 4.34Å; F220-P247 HydrophobicContact CB-CG 4.25Å; F220-P247 HydrophobicContact CD2-CG 3.61Å; F220-P247 HydrophobicContact CE2-CG 4.13Å; F220-P247 HydrophobicContact CG-CG 3.92Å; F220-V259 HydrophobicContact CD1-CG2 3.85Å; F220-K260 CarbonylContact C-O 3.52Å; F220-K260 WeakPolarHBondContact CA-O 3.2Å; F220-M261 HydrophobicContact CD1-CB 4.16Å; F220-M261 HydrophobicContact CD1-CG 4.35Å; F220-M261 HydrophobicContact CE1-CB 4Å; F220-M261 HydrophobicContact CE1-CG 3.9Å; F220-M261 HydrophobicContact CE1-SD 3.74Å; F220-M261 HydrophobicContact CE2-CG 4.2Å; F220-M261 HydrophobicContact CE2-SD 4.25Å; F220-M261 HydrophobicContact CZ-CB 4.42Å; F220-M261 HydrophobicContact CZ-CG 3.8Å; F220-M261 HydrophobicContact CZ-SD 3.44Å; F220-M261 WeakPolarHBondContact CZ-SD 3.43Å; F220-F277 HydrophobicContact CD1-CB 4.44Å; F220-F277 HydrophobicContact CD1-CD1 4.36Å; F220-F277 HydrophobicContact CD1-CG 4.45Å; F220-F277 HydrophobicContact CE1-CB 4.01Å; F220-F277 AromaticContact CE1-CD1 3.83Å; F220-F277 HydrophobicContact CE1-CD1 3.83Å; F220-F277 HydrophobicContact CE1-CD2 4.17Å; F220-F277 HydrophobicContact CE1-CE1 4.39Å; F220-F277 AromaticContact CE1-CG 3.72Å; F220-F277 HydrophobicContact CE1-CG 3.72Å
221V97.4Very high97Very high26 Ų2654 Ų5416%0.15827%0.269CS..EExtended strand (participates in β ladder)trans-138.7134.3-175.2-171.40000111.1R219 W225 K260R219-V221 HydrophobicContact CG-CG2 3.73Å; V221-W225 CarbonylContact C-O 3.52Å; V221-W225 VanDerWaalsContact CA-O 3.29Å; V221-W225 WeakPolarHBondContact CA-O 3.24Å; V221-K260 PolarHBondContact N-O 2.76Å; V221-K260 PolarHBondContact O-N 3.07Å
222L96.6Very high97.1Very high50 Ų5056.6 Ų56.626%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-148.3114.6163.4176.865000109.3D224 W225 Y249 V257 V259L222-D224 PolarHBondContact O-N 2.86Å; L222-W225 HydrophobicContact CB-CE3 4.27Å; L222-W225 PolarHBondContact N-O 3.48Å; L222-W225 WeakPolarHBondContact O-CB 3.34Å; L222-W225 PolarHBondContact O-N 3.33Å; L222-Y249 HydrophobicContact CD2-CE2 4.38Å; L222-V257 HydrophobicContact CD2-CG1 3.55Å; L222-V259 HydrophobicContact CB-CB 4.11Å; L222-V259 HydrophobicContact CB-CG1 3.83Å; L222-V259 HydrophobicContact CD2-CG1 4.04Å
223N92.4Very high97.1Very high139 Ų13958.7 Ų58.774%0.74330%0.298SS*.THydrogen-bonded Turntrans50.2-126.2-171.7-52.5-9.9000109.4W225N223-W225 VanDerWaalsContact C-N 3.27Å; N223-W225 PolarHBondContact O-N 2.92Å
224D91.6Very high97.2Very high169 Ų16959.1 Ų59.190%0.90432%0.316SS*.THydrogen-bonded Turntrans-79-3.3-179.7-37.6-79.1000114.1L222L222-D224 PolarHBondContact O-N 2.86Å
225W95.5Very high97.3Very high38 Ų3857.2 Ų57.214%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-88.4124177.1176.968.7000111.6F220 V221 L222 N223 A227 Y249 C250 V259 Y279F220-W225 HydrophobicContact CB-CH2 3.9Å; F220-W225 HydrophobicContact CB-CZ3 3.92Å; V221-W225 CarbonylContact C-O 3.52Å; V221-W225 VanDerWaalsContact CA-O 3.29Å; V221-W225 WeakPolarHBondContact CA-O 3.24Å; L222-W225 HydrophobicContact CB-CE3 4.27Å; L222-W225 PolarHBondContact N-O 3.48Å; L222-W225 WeakPolarHBondContact O-CB 3.34Å; L222-W225 PolarHBondContact O-N 3.33Å; N223-W225 VanDerWaalsContact C-N 3.27Å; N223-W225 PolarHBondContact O-N 2.92Å; W225-A227 HydrophobicContact CH2-CB 3.94Å; W225-A227 HydrophobicContact CZ2-CB 3.34Å; W225-Y249 HydrophobicContact CD2-CD2 4.02Å; W225-Y249 HydrophobicContact CD2-CE2 4.06Å; W225-Y249 AromaticContact CE3-CD2 3.85Å; W225-Y249 HydrophobicContact CE3-CD2 3.85Å; W225-Y249 AromaticContact CE3-CE2 3.83Å; W225-Y249 HydrophobicContact CE3-CE2 3.83Å; W225-Y249 AromaticContact CH2-CD2 3.79Å; W225-Y249 HydrophobicContact CH2-CD2 3.79Å; W225-Y249 AromaticContact CZ2-CD2 3.95Å; W225-Y249 HydrophobicContact CZ2-CD2 3.95Å; W225-Y249 AromaticContact CZ3-CD2 3.75Å; W225-Y249 HydrophobicContact CZ3-CD2 3.75Å; W225-Y249 HydrophobicContact CZ3-CE2 4.12Å; W225-C250 VanDerWaalsContact CD1-CB 3.48Å; W225-C250 HydrophobicContact CG-CB 4.24Å; W225-V259 HydrophobicContact CE3-CG1 4.45Å; W225-V259 HydrophobicContact CZ3-CB 4.29Å; W225-V259 HydrophobicContact CZ3-CG1 3.97Å; W225-V259 HydrophobicContact CZ3-CG2 4.36Å; W225-Y279 AromaticContact CH2-CE2 3.76Å; W225-Y279 HydrophobicContact CH2-CE2 3.76Å; W225-Y279 HydrophobicContact CZ3-CE2 4.1Å
226E97Very high97.3Very high73 Ų7356.9 Ų56.934%0.34130%0.304SS..EExtended strand (participates in β ladder)trans-120.5140.6168.2173.6172.1155.100110.4R219 F220 R264R219-E226 HydrophobicContact CG-CG 4Å; R219-E226 IonicContact CZ-OE2 3.48Å; R219-E226 IonicContact NE-OE1 3.62Å; R219-E226 IonicContact NE-OE2 2.76Å; R219-E226 PolarHBondContact NE-OE2 3.49Å; R219-E226 IonicContact NH2-OE2 2.72Å; R219-E226 PolarHBondContact NH2-OE2 2.82Å; F220-E226 WeakPolarHBondContact O-CA 3.34Å; E226-R264 IonicContact OE1-CZ 2.72Å; E226-R264 IonicContact OE1-NH1 3.15Å; E226-R264 PolarHBondContact OE1-NH1 3.15Å
227A97.9Very high97.3Very high18 Ų1861.5 Ų61.515%0.14933%0.326CS..EExtended strand (participates in β ladder)trans-146.1158.2163.700000111.5F220 W225 P247F220-A227 PolarHBondContact N-O 3.44Å; F220-A227 PolarHBondContact O-N 2.95Å; W225-A227 HydrophobicContact CH2-CB 3.94Å; W225-A227 HydrophobicContact CZ2-CB 3.34Å; A227-P247 HydrophobicContact CB-CB 3.56Å; A227-P247 HydrophobicContact CB-CG 3.65Å
228K98.2Very high97.2Very high100 Ų10070.5 Ų70.544%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-106.3140.1-177.7-58-172.5-176.2-168.10111.5E217 V218 P247E217-K228 VanDerWaalsContact CD-NZ 3.33Å; E217-K228 WeakPolarHBondContact OE1-CE 3.17Å; E217-K228 IonicContact OE1-NZ 3.47Å; E217-K228 PolarHBondContact OE1-NZ 3.35Å; E217-K228 WeakPolarHBondContact OE2-CE 3.4Å; E217-K228 IonicContact OE2-NZ 3.48Å; E217-K228 PolarHBondContact OE2-NZ 2.8Å; V218-K228 CarbonylContact O-C 3.5Å; V218-K228 WeakPolarHBondContact O-CA 3.49Å; K228-P247 WeakPolarHBondContact O-CB 3.49Å
229G98.1Very high97.2Very high8 Ų873.7 Ų73.78%0.08237%0.374CS..  trans-60.2136.9167.200000110.5V218 F231V218-G229 PolarHBondContact O-N 2.89Å; G229-F231 WeakPolarHBondContact O-CD1 3.4Å
230I98.5Very high97.2Very high104 Ų10474.2 Ų74.253%0.53338%0.383SS..BIsolated β-bridgetrans-94.7108.4-171.9-57.1166.5000108.6K245I230-K245 HydrophobicContact CB-CB 4.36Å; I230-K245 PolarHBondContact N-O 3Å; I230-K245 PolarHBondContact O-N 3.16Å
231F98.5Very high97.2Very high54 Ų5474.8 Ų74.824%0.23739%0.388CS..  trans-155.3170.6176.767.3-77.9000111.5I216 V218 G229 D235 V236 I242 V243 F244I216-F231 HydrophobicContact CG2-CE2 4.37Å; I216-F231 HydrophobicContact CG2-CZ 4.37Å; V218-F231 HydrophobicContact CG2-CE1 4.04Å; G229-F231 WeakPolarHBondContact O-CD1 3.4Å; F231-D235 HydrophobicContact CB-CB 4.15Å; F231-V236 HydrophobicContact CD2-CG2 4Å; F231-V236 HydrophobicContact CE2-CG2 3.67Å; F231-I242 HydrophobicContact CD1-CG2 4.22Å; F231-I242 HydrophobicContact CD2-CG2 3.71Å; F231-I242 HydrophobicContact CE1-CG2 4.27Å; F231-I242 HydrophobicContact CE2-CG2 3.77Å; F231-I242 HydrophobicContact CG-CG2 3.96Å; F231-I242 HydrophobicContact CZ-CG2 4.05Å; F231-V243 VanDerWaalsContact CB-O 3.26Å; F231-V243 WeakPolarHBondContact CB-O 3.11Å; F231-F244 HydrophobicContact CB-CB 3.67Å; F231-F244 HydrophobicContact CD1-CB 3.7Å; F231-F244 HydrophobicContact CG-CB 3.95Å
232S97.9Very high97.2Very high58 Ų5873.6 Ų73.641%0.40638%0.381SS..  trans-116.1168.8175.878.30000111.5A234 D235S232-A234 PolarHBondContact O-N 2.8Å; S232-A234 VanDerWaalsContact O-N 3.08Å; S232-A234 PolarHBondContact OG-N 2.8Å; S232-D235 WeakPolarHBondContact CA-OD2 3.26Å; S232-D235 VanDerWaalsContact CB-OD2 3.31Å; S232-D235 WeakPolarHBondContact CB-OD2 3.31Å; S232-D235 PolarHBondContact N-OD2 2.76Å; S232-D235 PolarHBondContact O-N 3.18Å; S232-D235 PolarHBondContact OG-OD2 2.92Å
233Q97.6Very high97.3Very high103 Ų10372.7 Ų72.748%0.48138%0.377SS..G310 helixtrans-57.6-24.1175.4-60.2-174.6-400114K213 D214 D235K213-Q233 HydrophobicContact CD-CB 4.25Å; K213-Q233 HydrophobicContact CG-CB 4.2Å; D214-Q233 PolarHBondContact OD1-NE2 2.79Å; D214-Q233 PolarHBondContact OD1-OE1 2.84Å; D214-Q233 VanDerWaalsContact OD1-OE1 3.07Å; Q233-D235 VanDerWaalsContact C-N 3.34Å
234A97.9Very high97.6Very high90 Ų9066.2 Ų66.274%0.74434%0.343SS*.G310 helixtrans-74.3-25.1178.700000112.7S232 V236S232-A234 PolarHBondContact O-N 2.8Å; S232-A234 VanDerWaalsContact O-N 3.08Å; S232-A234 PolarHBondContact OG-N 2.8Å; A234-V236 VanDerWaalsContact C-N 3.28Å; A234-V236 PolarHBondContact O-N 3.14Å
235D98.4Very high98Very high61 Ų6162.8 Ų62.833%0.32632%0.32SS..G310 helixtrans-82.4-6.5-178-51.5-67000112.8F231 S232 Q233 H237 V243F231-D235 HydrophobicContact CB-CB 4.15Å; S232-D235 WeakPolarHBondContact CA-OD2 3.26Å; S232-D235 VanDerWaalsContact CB-OD2 3.31Å; S232-D235 WeakPolarHBondContact CB-OD2 3.31Å; S232-D235 PolarHBondContact N-OD2 2.76Å; S232-D235 PolarHBondContact O-N 3.18Å; S232-D235 PolarHBondContact OG-OD2 2.92Å; Q233-D235 VanDerWaalsContact C-N 3.34Å; D235-H237 PolarHBondContact O-N 2.72Å; D235-H237 VanDerWaalsContact O-N 3.11Å; D235-V243 HydrophobicContact CB-CB 4.36Å; D235-V243 VanDerWaalsContact CB-O 3.24Å; D235-V243 WeakPolarHBondContact CB-O 3.3Å; D235-V243 PolarHBondContact O-N 2.8Å
236V98.5Very high98.1Very high11 Ų1161 Ų617%0.06731%0.313CS..SBendtrans-83.277.5174.5-173.80000110V211 K213 I216 F231 A234 R238 A241 I242V211-V236 HydrophobicContact CG2-CG1 4.03Å; K213-V236 HydrophobicContact CB-CB 3.74Å; K213-V236 HydrophobicContact CB-CG1 3.85Å; K213-V236 HydrophobicContact CB-CG2 4.01Å; I216-V236 HydrophobicContact CG2-CG2 4.32Å; F231-V236 HydrophobicContact CD2-CG2 4Å; F231-V236 HydrophobicContact CE2-CG2 3.67Å; A234-V236 VanDerWaalsContact C-N 3.28Å; A234-V236 PolarHBondContact O-N 3.14Å; V236-R238 PolarHBondContact O-N 2.67Å; V236-R238 VanDerWaalsContact O-N 3.11Å; V236-A241 CarbonylContact C-O 3.41Å; V236-A241 WeakPolarHBondContact CA-O 3.33Å; V236-I242 HydrophobicContact CG1-CG1 4.41Å; V236-I242 HydrophobicContact CG2-CG1 4.47Å
237H98.1Very high98.2Very high110 Ų11057.7 Ų57.751%0.50930%0.298SS..G310 helixtrans-62.1113.8-175.8-171.490.1000112.7D235 Q239 V240 A241D235-H237 PolarHBondContact O-N 2.72Å; D235-H237 VanDerWaalsContact O-N 3.11Å; H237-Q239 PolarHBondContact O-N 3.25Å; H237-V240 PolarHBondContact O-N 3.5Å; H237-V240 VanDerWaalsContact O-N 3.14Å; H237-A241 HydrophobicContact CB-CB 4.35Å; H237-A241 PolarHBondContact N-O 2.88Å; H237-A241 PolarHBondContact O-N 2.8Å
238R97.1Very high98.1Very high208 Ų20860.5 Ų60.579%0.78532%0.315SS*.G310 helixtrans51.129.5172.8-64.8-177.1176.5-156.4-1.2115V236 V240V236-R238 PolarHBondContact O-N 2.67Å; V236-R238 VanDerWaalsContact O-N 3.11Å; R238-V240 HydrophobicContact CB-CG2 4.34Å; R238-V240 PolarHBondContact O-N 2.8Å
239Q97.1Very high98Very high68 Ų6857.3 Ų57.332%0.31830%0.3SS..G310 helixtrans63.411.3-178.4-56.8-173.6-7300115.6K210 V211 H237K210-Q239 VanDerWaalsContact CA-O 3.32Å; K210-Q239 WeakPolarHBondContact CA-O 3.45Å; K210-Q239 VanDerWaalsContact CE-CD 3.45Å; K210-Q239 HydrophobicContact CG-CB 3.98Å; V211-Q239 PolarHBondContact N-O 2.93Å; V211-Q239 VanDerWaalsContact O-CB 3.27Å; V211-Q239 WeakPolarHBondContact O-CB 3.29Å; V211-Q239 WeakPolarHBondContact O-CG 3.32Å; V211-Q239 PolarHBondContact O-NE2 2.91Å; H237-Q239 PolarHBondContact O-N 3.25Å
240V98.1Very high97.6Very high70 Ų7060.1 Ų60.142%0.42432%0.318SS..THydrogen-bonded Turntrans-132.5-2.4-174.8-63.50000114C208 H237 R238C208-V240 PolarHBondContact N-O 2.84Å; C208-V240 VanDerWaalsContact O-O 3.13Å; C208-V240 VanDerWaalsContact SG-C 3.59Å; H237-V240 PolarHBondContact O-N 3.5Å; H237-V240 VanDerWaalsContact O-N 3.14Å; R238-V240 HydrophobicContact CB-CG2 4.34Å; R238-V240 PolarHBondContact O-N 2.8Å
241A98.4Very high97.2Very high13 Ų1362 Ų6211%0.10732%0.322CS..EExtended strand (participates in β ladder)trans-144.3154.3169.600000110.4L206 L207 V236 H237L206-A241 CarbonylContact O-C 3.49Å; L206-A241 WeakPolarHBondContact O-CA 3.47Å; L206-A241 WeakPolarHBondContact O-CB 3.27Å; L207-A241 HydrophobicContact CD2-CB 3.7Å; V236-A241 CarbonylContact C-O 3.41Å; V236-A241 WeakPolarHBondContact CA-O 3.33Å; H237-A241 HydrophobicContact CB-CB 4.35Å; H237-A241 PolarHBondContact N-O 2.88Å; H237-A241 PolarHBondContact O-N 2.8Å
242I98.7Very high96.7Very high0 Ų064 Ų640%035%0.349CS..EExtended strand (participates in β ladder)trans-129125.4174.3-52.5178.8000107.3L206 I216 V218 F231 V236 F244 L263L206-I242 PolarHBondContact N-O 3.1Å; L206-I242 PolarHBondContact O-N 3.46Å; I216-I242 HydrophobicContact CG1-CD1 3.91Å; I216-I242 HydrophobicContact CG2-CD1 4.33Å; V218-I242 HydrophobicContact CG2-CD1 4.33Å; V218-I242 HydrophobicContact CG2-CG2 4.5Å; F231-I242 HydrophobicContact CD1-CG2 4.22Å; F231-I242 HydrophobicContact CD2-CG2 3.71Å; F231-I242 HydrophobicContact CE1-CG2 4.27Å; F231-I242 HydrophobicContact CE2-CG2 3.77Å; F231-I242 HydrophobicContact CG-CG2 3.96Å; F231-I242 HydrophobicContact CZ-CG2 4.05Å; V236-I242 HydrophobicContact CG1-CG1 4.41Å; V236-I242 HydrophobicContact CG2-CG1 4.47Å; I242-F244 HydrophobicContact CG2-CB 4.35Å; I242-F244 HydrophobicContact CG2-CD1 4.29Å; I242-L263 HydrophobicContact CD1-CD2 3.83Å
243V98.7Very high96.4Very high31 Ų3162.5 Ų62.519%0.18834%0.336CS..EExtended strand (participates in β ladder)trans-94.5129.8163.8-173.10000107.5E203 I204 F205 F231 D235E203-V243 HydrophobicContact CG-CG1 3.8Å; I204-V243 WeakPolarHBondContact O-CA 3.38Å; F205-V243 HydrophobicContact CD1-CG2 3.71Å; F205-V243 HydrophobicContact CD2-CG1 4.38Å; F205-V243 HydrophobicContact CE1-CG1 4.37Å; F205-V243 HydrophobicContact CE1-CG2 3.66Å; F205-V243 HydrophobicContact CE2-CG1 4.09Å; F205-V243 HydrophobicContact CG-CG2 4.28Å; F205-V243 HydrophobicContact CZ-CG1 4.08Å; F205-V243 HydrophobicContact CZ-CG2 4.2Å; F231-V243 VanDerWaalsContact CB-O 3.26Å; F231-V243 WeakPolarHBondContact CB-O 3.11Å; D235-V243 HydrophobicContact CB-CB 4.36Å; D235-V243 VanDerWaalsContact CB-O 3.24Å; D235-V243 WeakPolarHBondContact CB-O 3.3Å; D235-V243 PolarHBondContact O-N 2.8Å
244F98.7Very high96.1Very high3 Ų364 Ų641%0.01335%0.353CS..EExtended strand (participates in β ladder)trans-151.4162.3179.674-88.9000112.1I204 L206 V218 F220 F231 I242 M261I204-F244 HydrophobicContact CB-CD1 4.1Å; I204-F244 HydrophobicContact CB-CD2 4.45Å; I204-F244 HydrophobicContact CB-CE1 3.63Å; I204-F244 HydrophobicContact CB-CE2 3.98Å; I204-F244 HydrophobicContact CB-CG 4.49Å; I204-F244 HydrophobicContact CB-CZ 3.55Å; I204-F244 HydrophobicContact CG1-CD2 4.46Å; I204-F244 HydrophobicContact CG1-CE1 4.33Å; I204-F244 HydrophobicContact CG1-CE2 3.8Å; I204-F244 HydrophobicContact CG1-CZ 3.73Å; I204-F244 HydrophobicContact CG2-CD1 4.45Å; I204-F244 HydrophobicContact CG2-CE1 3.61Å; I204-F244 HydrophobicContact CG2-CZ 3.64Å; I204-F244 PolarHBondContact N-O 2.97Å; I204-F244 PolarHBondContact O-N 3.35Å; L206-F244 HydrophobicContact CB-CE1 4.01Å; L206-F244 HydrophobicContact CD1-CE1 3.96Å; V218-F244 HydrophobicContact CB-CE1 4.46Å; V218-F244 HydrophobicContact CB-CZ 4.48Å; V218-F244 HydrophobicContact CG1-CE1 4.05Å; V218-F244 HydrophobicContact CG1-CE2 4.17Å; V218-F244 HydrophobicContact CG1-CZ 3.8Å; V218-F244 HydrophobicContact CG2-CD1 3.93Å; V218-F244 HydrophobicContact CG2-CE1 4.01Å; V218-F244 HydrophobicContact CG2-CG 4.33Å; F220-F244 AromaticContact CE2-CE2 3.64Å; F220-F244 HydrophobicContact CE2-CE2 3.64Å; F220-F244 HydrophobicContact CE2-CZ 4.16Å; F220-F244 AromaticContact CZ-CE2 3.62Å; F220-F244 HydrophobicContact CZ-CE2 3.62Å; F220-F244 AromaticContact CZ-CZ 3.92Å; F220-F244 HydrophobicContact CZ-CZ 3.92Å; F231-F244 HydrophobicContact CB-CB 3.67Å; F231-F244 HydrophobicContact CD1-CB 3.7Å; F231-F244 HydrophobicContact CG-CB 3.95Å; I242-F244 HydrophobicContact CG2-CB 4.35Å; I242-F244 HydrophobicContact CG2-CD1 4.29Å; F244-M261 HydrophobicContact CZ-SD 3.84Å
245K98.6Very high95.9Very high98 Ų9866.8 Ų66.843%0.42635%0.35SS..EExtended strand (participates in β ladder)trans-102.7135174.3-70.1174.8-177.5171.70111.1D202 I230D202-K245 CarbonylContact O-C 3.34Å; D202-K245 WeakPolarHBondContact O-CA 3.33Å; I230-K245 HydrophobicContact CB-CB 4.36Å; I230-K245 PolarHBondContact N-O 3Å; I230-K245 PolarHBondContact O-N 3.16Å
246T98.4Very high95.8Very high0 Ų067.4 Ų67.40%036%0.357CS..PPolyproline II helixtrans-59.7141179.652.90000111.4G200 G201 D202 I204 F220 F277G200-T246 WeakPolarHBondContact CA-O 3.48Å; G200-T246 WeakPolarHBondContact CA-OG1 3.49Å; G201-T246 PolarHBondContact N-O 3.14Å; G201-T246 PolarHBondContact N-OG1 2.97Å; D202-T246 HydrophobicContact CB-CG2 4.04Å; D202-T246 WeakPolarHBondContact CB-OG1 3.33Å; D202-T246 PolarHBondContact N-OG1 3.2Å; D202-T246 VanDerWaalsContact N-OG1 3.09Å; D202-T246 PolarHBondContact O-N 2.83Å; I204-T246 HydrophobicContact CD1-CG2 3.79Å; I204-T246 HydrophobicContact CG1-CG2 3.6Å; F220-T246 HydrophobicContact CZ-CG2 4.34Å; T246-F277 HydrophobicContact CG2-CE1 4.19Å; T246-F277 HydrophobicContact CG2-CE2 4.07Å; T246-F277 HydrophobicContact CG2-CZ 3.6Å
247P98.1Very high95.7Very high4 Ų468.5 Ų68.53%0.02636%0.364CS..PPolyproline II helixtrans-69.4154.8170.725.2-26.3000110.6G200 F220 A227 K228 Y279G200-P247 WeakPolarHBondContact CA-O 3.27Å; F220-P247 HydrophobicContact CB-CG 4.25Å; F220-P247 HydrophobicContact CD2-CG 3.61Å; F220-P247 HydrophobicContact CE2-CG 4.13Å; F220-P247 HydrophobicContact CG-CG 3.92Å; A227-P247 HydrophobicContact CB-CB 3.56Å; A227-P247 HydrophobicContact CB-CG 3.65Å; K228-P247 WeakPolarHBondContact O-CB 3.49Å; P247-Y279 WeakPolarHBondContact CG-OH 3.46Å; P247-Y279 WeakPolarHBondContact O-CE1 3.34Å; P247-Y279 PolarHBondContact O-OH 2.82Å
248P96.8Very high95.7Very high77 Ų7766 Ų6650%0.536%0.356SS..PPolyproline II helixtrans-64.4139166.128.6-34000110.2
249Y95.6Very high95.7Very high33 Ų3356.1 Ų56.113%0.12932%0.32CS..PPolyproline II helixtrans-78145.6172.2-178.3-113.1000110.6V198 L222 W225 K251 I253 V257 V259 Y279V198-Y249 HydrophobicContact CG2-CD1 3.93Å; V198-Y249 HydrophobicContact CG2-CG 4.4Å; V198-Y249 PolarHBondContact O-N 2.76Å; L222-Y249 HydrophobicContact CD2-CE2 4.38Å; W225-Y249 HydrophobicContact CD2-CD2 4.02Å; W225-Y249 HydrophobicContact CD2-CE2 4.06Å; W225-Y249 AromaticContact CE3-CD2 3.85Å; W225-Y249 HydrophobicContact CE3-CD2 3.85Å; W225-Y249 AromaticContact CE3-CE2 3.83Å; W225-Y249 HydrophobicContact CE3-CE2 3.83Å; W225-Y249 AromaticContact CH2-CD2 3.79Å; W225-Y249 HydrophobicContact CH2-CD2 3.79Å; W225-Y249 AromaticContact CZ2-CD2 3.95Å; W225-Y249 HydrophobicContact CZ2-CD2 3.95Å; W225-Y249 AromaticContact CZ3-CD2 3.75Å; W225-Y249 HydrophobicContact CZ3-CD2 3.75Å; W225-Y249 HydrophobicContact CZ3-CE2 4.12Å; Y249-K251 VanDerWaalsContact C-N 3.25Å; Y249-K251 HydrophobicContact CD1-CB 4.44Å; Y249-K251 VanDerWaalsContact CD1-O 3.3Å; Y249-K251 WeakPolarHBondContact CD1-O 3.47Å; Y249-K251 HydrophobicContact CE1-CB 4Å; Y249-K251 PolarHBondContact O-N 3.18Å; Y249-K251 VanDerWaalsContact O-N 3.14Å; Y249-I253 HydrophobicContact CD1-CG2 3.75Å; Y249-I253 HydrophobicContact CE1-CG2 3.54Å; Y249-V257 HydrophobicContact CE1-CG1 4.48Å; Y249-V257 HydrophobicContact CE2-CG1 4.49Å; Y249-V259 HydrophobicContact CD2-CG1 4.46Å; Y249-V259 HydrophobicContact CE2-CG1 4.25Å; Y249-Y279 HydrophobicContact CD2-CD2 4.03Å; Y249-Y279 HydrophobicContact CD2-CE2 4.1Å; Y249-Y279 HydrophobicContact CG-CD2 4.11Å; Y249-Y279 HydrophobicContact CG-CE2 4.38Å; Y249-Y279 HydrophobicContact CG-CG 4.42Å
250C89.7Confident95.8Very high67 Ų6757.3 Ų57.345%0.45332%0.323SS..SBendtrans-69.5-12.2-167.457.80000116.2W225W225-C250 VanDerWaalsContact CD1-CB 3.48Å; W225-C250 HydrophobicContact CG-CB 4.24Å
251K89.4Confident95.8Very high142 Ų14254 Ų5462%0.61730%0.303SS*.SBendtrans-135.2146.9-173.8-67.5170.5-174.9173.40110.3V198 Y249 I253V198-K251 WeakPolarHBondContact CG2-O 3.48Å; Y249-K251 VanDerWaalsContact C-N 3.25Å; Y249-K251 HydrophobicContact CD1-CB 4.44Å; Y249-K251 VanDerWaalsContact CD1-O 3.3Å; Y249-K251 WeakPolarHBondContact CD1-O 3.47Å; Y249-K251 HydrophobicContact CE1-CB 4Å; Y249-K251 PolarHBondContact O-N 3.18Å; Y249-K251 VanDerWaalsContact O-N 3.14Å; K251-I253 PolarHBondContact O-N 2.98Å
252A88.9Confident95.7Very high98 Ų9854.3 Ų54.381%0.8130%0.303SS*.  trans-67132.7165.600000109.4
253I91Very high95.7Very high25 Ų2554.3 Ų54.313%0.12830%0.303CS..  trans-118.4142-178.869.8-174000110.5V198 Y249 K251 E255 V257 P281V198-I253 HydrophobicContact CB-CD1 3.93Å; V198-I253 HydrophobicContact CB-CG1 4.01Å; V198-I253 HydrophobicContact CG2-CD1 3.85Å; V198-I253 HydrophobicContact CG2-CG1 3.79Å; V198-I253 HydrophobicContact CG2-CG2 4.24Å; Y249-I253 HydrophobicContact CD1-CG2 3.75Å; Y249-I253 HydrophobicContact CE1-CG2 3.54Å; K251-I253 PolarHBondContact O-N 2.98Å; I253-E255 WeakPolarHBondContact CB-O 3.24Å; I253-E255 WeakPolarHBondContact CD1-O 3.34Å; I253-E255 WeakPolarHBondContact CG1-O 3.42Å; I253-V257 HydrophobicContact CB-CG2 4.23Å; I253-V257 HydrophobicContact CD1-CB 4.24Å; I253-V257 HydrophobicContact CD1-CG2 4.14Å; I253-V257 HydrophobicContact CG2-CG2 3.79Å; I253-P281 HydrophobicContact CG1-CB 4.4Å; I253-P281 HydrophobicContact CG1-CG 4.14Å; I253-P281 WeakPolarHBondContact O-CB 3.42Å
254T91.4Very high95.7Very high136 Ų13654.6 Ų54.683%0.83430%0.3SS*.SBendtrans-98.5-22.1173.247.80000112.6P281T254-P281 VanDerWaalsContact C-CG 3.48Å; T254-P281 WeakPolarHBondContact O-CG 3.49Å
255E93.6Very high95.7Very high147 Ų14754.5 Ų54.569%0.68730%0.3SS*.SBendtrans-124.8157.9176.7-62.9-175.3173.800109.7I253I253-E255 WeakPolarHBondContact CB-O 3.24Å; I253-E255 WeakPolarHBondContact CD1-O 3.34Å; I253-E255 WeakPolarHBondContact CG1-O 3.42Å
256P96.3Very high95.6Very high74 Ų7452.3 Ų52.348%0.48130%0.296SS..  trans-64.1135.2179.3-22.935.1000113.4R278 Y279 L280P256-R278 HydrophobicContact CB-CG 3.82Å; P256-Y279 CarbonylContact C-O 3.56Å; P256-Y279 VanDerWaalsContact CA-O 3.24Å; P256-Y279 WeakPolarHBondContact CA-O 3.24Å; P256-L280 HydrophobicContact CB-CD2 4.05Å; P256-L280 HydrophobicContact CG-CD2 4.24Å
257V96.9Very high95.5Very high35 Ų3556.3 Ų56.321%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-114.8122.1179.7174.20000110.1L222 Y249 I253 V259 R278 Y279L222-V257 HydrophobicContact CD2-CG1 3.55Å; Y249-V257 HydrophobicContact CE1-CG1 4.48Å; Y249-V257 HydrophobicContact CE2-CG1 4.49Å; I253-V257 HydrophobicContact CB-CG2 4.23Å; I253-V257 HydrophobicContact CD1-CB 4.24Å; I253-V257 HydrophobicContact CD1-CG2 4.14Å; I253-V257 HydrophobicContact CG2-CG2 3.79Å; V257-V259 HydrophobicContact CG1-CG1 4.24Å; V257-R278 CarbonylContact O-C 3.59Å; V257-R278 WeakPolarHBondContact O-CA 3.44Å; V257-Y279 PolarHBondContact N-O 3.41Å; V257-Y279 PolarHBondContact O-N 2.92Å
258T97.8Very high95.3Very high56 Ų5658.7 Ų58.734%0.34434%0.336SS..EExtended strand (participates in β ladder)trans-87132.3173.2-52.60000110.3D276 F277T258-D276 HydrophobicContact CG2-CB 3.74Å; T258-F277 CarbonylContact C-O 3.53Å; T258-F277 WeakPolarHBondContact CA-O 3.37Å
259V97.9Very high95.3Very high2 Ų259.9 Ų59.91%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-124.2162.2175.5-50.20000109.5F220 L222 W225 Y249 V257 F277 Y279F220-V259 HydrophobicContact CD1-CG2 3.85Å; L222-V259 HydrophobicContact CB-CB 4.11Å; L222-V259 HydrophobicContact CB-CG1 3.83Å; L222-V259 HydrophobicContact CD2-CG1 4.04Å; W225-V259 HydrophobicContact CE3-CG1 4.45Å; W225-V259 HydrophobicContact CZ3-CB 4.29Å; W225-V259 HydrophobicContact CZ3-CG1 3.97Å; W225-V259 HydrophobicContact CZ3-CG2 4.36Å; Y249-V259 HydrophobicContact CD2-CG1 4.46Å; Y249-V259 HydrophobicContact CE2-CG1 4.25Å; V257-V259 HydrophobicContact CG1-CG1 4.24Å; V259-F277 HydrophobicContact CG2-CB 4.19Å; V259-F277 HydrophobicContact CG2-CD1 4.43Å; V259-F277 PolarHBondContact N-O 2.68Å; V259-F277 PolarHBondContact O-N 2.85Å; V259-Y279 HydrophobicContact CG1-CD2 3.86Å; V259-Y279 HydrophobicContact CG1-CE2 4.08Å; V259-Y279 HydrophobicContact CG2-CD2 4.09Å; V259-Y279 HydrophobicContact CG2-CE2 3.81Å
260K98.1Very high95.3Very high92 Ų9259.4 Ų59.440%0.433%0.334SS..EExtended strand (participates in β ladder)trans-89125.1173.9-65.4-53.4-168.5177.80110.7F220 V221 D276F220-K260 CarbonylContact C-O 3.52Å; F220-K260 WeakPolarHBondContact CA-O 3.2Å; V221-K260 PolarHBondContact N-O 2.76Å; V221-K260 PolarHBondContact O-N 3.07Å; K260-D276 WeakPolarHBondContact CD-OD1 3.4Å; K260-D276 WeakPolarHBondContact CE-OD1 3.38Å; K260-D276 IonicContact NZ-OD1 2.74Å; K260-D276 PolarHBondContact NZ-OD1 3.08Å
261M98.2Very high95.6Very high0 Ų059.2 Ų59.20%033%0.33CS..EExtended strand (participates in β ladder)trans-109.2127.3173.3178.6-179.564.200109.2V191 V218 R219 F220 F244 M275 F277V191-M261 HydrophobicContact CG1-CE 3.88Å; V218-M261 HydrophobicContact CG1-CG 3.85Å; V218-M261 HydrophobicContact CG1-SD 4.25Å; R219-M261 WeakPolarHBondContact O-CA 3.17Å; F220-M261 HydrophobicContact CD1-CB 4.16Å; F220-M261 HydrophobicContact CD1-CG 4.35Å; F220-M261 HydrophobicContact CE1-CB 4Å; F220-M261 HydrophobicContact CE1-CG 3.9Å; F220-M261 HydrophobicContact CE1-SD 3.74Å; F220-M261 HydrophobicContact CE2-CG 4.2Å; F220-M261 HydrophobicContact CE2-SD 4.25Å; F220-M261 HydrophobicContact CZ-CB 4.42Å; F220-M261 HydrophobicContact CZ-CG 3.8Å; F220-M261 HydrophobicContact CZ-SD 3.44Å; F220-M261 WeakPolarHBondContact CZ-SD 3.43Å; F244-M261 HydrophobicContact CZ-SD 3.84Å; M261-M275 HydrophobicContact CE-CB 4.43Å; M261-M275 HydrophobicContact CE-SD 4.4Å; M261-M275 PolarHBondContact N-O 2.9Å; M261-M275 PolarHBondContact O-N 3.03Å; M261-F277 HydrophobicContact CB-CB 4.11Å; M261-F277 HydrophobicContact SD-CD2 4.38Å
262Q98.1Very high96Very high21 Ų2152.8 Ų52.810%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-141.9155.6-177.662.9-163.9-29.900110.7R219R219-Q262 HydrophobicContact CB-CG 4.06Å; R219-Q262 PolarHBondContact N-O 2.86Å; R219-Q262 PolarHBondContact O-N 3.12Å
263L98.5Very high96.3Very high0 Ų056.1 Ų56.10%030%0.302CS..EExtended strand (participates in β ladder)trans-77.4150.4162.8-64.5170.6000109.1L186 I188 L206 C208 I216 E217 V218 I242 V271 S272L186-L263 HydrophobicContact CB-CB 4.28Å; L186-L263 HydrophobicContact CD1-CB 4.21Å; I188-L263 HydrophobicContact CD1-CG 4.37Å; I188-L263 HydrophobicContact CG1-CD1 3.98Å; I188-L263 HydrophobicContact CG1-CG 3.77Å; L206-L263 HydrophobicContact CD1-CD2 4.36Å; L206-L263 HydrophobicContact CD2-CD1 4.48Å; L206-L263 HydrophobicContact CD2-CD2 4.1Å; C208-L263 HydrophobicContact CB-CD1 3.79Å; I216-L263 HydrophobicContact CD1-CB 4.2Å; I216-L263 HydrophobicContact CD1-CD2 4.31Å; I216-L263 HydrophobicContact CG1-CD2 4.38Å; E217-L263 WeakPolarHBondContact O-CA 3.1Å; V218-L263 HydrophobicContact CG2-CD2 4.11Å; I242-L263 HydrophobicContact CD1-CD2 3.83Å; L263-V271 CarbonylContact O-C 3.56Å; L263-V271 VanDerWaalsContact O-CA 3.24Å; L263-V271 WeakPolarHBondContact O-CA 3.14Å; L263-S272 PolarHBondContact N-OG 3.22Å; L263-S272 PolarHBondContact O-N 2.76Å
264R98.1Very high96.6Very high37 Ų3757.7 Ų57.714%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-140.2140.1172.2170.4174.4168.4-158.923.4110.3E217 R219 E226 P266 Q269 E270 V271E217-R264 HydrophobicContact CG-CB 3.78Å; E217-R264 HydrophobicContact CG-CG 4.08Å; E217-R264 PolarHBondContact N-O 3.23Å; E217-R264 PolarHBondContact O-N 2.88Å; E217-R264 WeakPolarHBondContact OE1-CD 3.48Å; E217-R264 IonicContact OE1-CZ 3.77Å; E217-R264 IonicContact OE1-NE 3.35Å; E217-R264 IonicContact OE1-NH1 2.77Å; E217-R264 PolarHBondContact OE1-NH1 3.02Å; R219-R264 HydrophobicContact CB-CB 4.48Å; E226-R264 IonicContact OE1-CZ 2.72Å; E226-R264 IonicContact OE1-NH1 3.15Å; E226-R264 PolarHBondContact OE1-NH1 3.15Å; R264-P266 WeakPolarHBondContact O-CD 3.26Å; R264-Q269 VanDerWaalsContact CZ-OE1 3.27Å; R264-E270 CarbonylContact C-O 3.57Å; R264-E270 VanDerWaalsContact CA-O 3.24Å; R264-E270 WeakPolarHBondContact CA-O 3.48Å; R264-V271 HydrophobicContact CB-CG1 4.07Å; R264-V271 HydrophobicContact CG-CG1 4.21Å
265R97.8Very high96.8Very high1 Ų154.1 Ų54.10%0.00429%0.29CS..  trans-96.8114.1170.9-170.4-167.2-39.4-81.73.2109P181 N182 A184 L186 D215 S267 D268 Q269 E270P181-R265 PolarHBondContact O-NH1 3.2Å; N182-R265 VanDerWaalsContact O-CZ 3.27Å; N182-R265 PolarHBondContact O-NE 3.09Å; N182-R265 PolarHBondContact O-NH1 2.85Å; A184-R265 PolarHBondContact O-NH2 2.95Å; L186-R265 HydrophobicContact CD1-CB 4.07Å; D215-R265 VanDerWaalsContact CG-CG 3.45Å; D215-R265 WeakPolarHBondContact OD1-CG 3.27Å; D215-R265 VanDerWaalsContact OD2-CD 3.29Å; D215-R265 WeakPolarHBondContact OD2-CD 3.4Å; D215-R265 WeakPolarHBondContact OD2-CG 3.43Å; R265-S267 VanDerWaalsContact C-N 3.3Å; R265-S267 WeakPolarHBondContact CD-OG 3.4Å; R265-S267 WeakPolarHBondContact CG-OG 3.32Å; R265-S267 PolarHBondContact O-N 3.02Å; R265-D268 WeakPolarHBondContact CD-OD1 3.44Å; R265-D268 IonicContact NE-OD1 3.18Å; R265-D268 PolarHBondContact NE-OD1 2.92Å; R265-D268 IonicContact NE-OD2 3.57Å; R265-D268 PolarHBondContact NE-OD2 3.05Å; R265-Q269 VanDerWaalsContact O-CA 3.22Å; R265-Q269 WeakPolarHBondContact O-CA 3.36Å; R265-Q269 PolarHBondContact O-N 3.18Å; R265-E270 HydrophobicContact CB-CB 4.32Å; R265-E270 IonicContact CZ-OE2 3.9Å; R265-E270 PolarHBondContact N-O 2.91Å; R265-E270 IonicContact NE-OE2 2.66Å; R265-E270 PolarHBondContact NE-OE2 3.4Å; R265-E270 IonicContact NH2-OE2 3.51Å; R265-E270 PolarHBondContact NH2-OE2 2.88Å
266P97.4Very high97.1Very high51 Ų5151.1 Ų51.133%0.33128%0.279SS..THydrogen-bonded Turntrans-59.1-33.2178.6-29.237.3000115.2D215 E217 R264 Q269D215-P266 VanDerWaalsContact OD1-CD 3.27Å; D215-P266 WeakPolarHBondContact OD1-CD 3.42Å; E217-P266 HydrophobicContact CG-CG 4.32Å; R264-P266 WeakPolarHBondContact O-CD 3.26Å; P266-Q269 PolarHBondContact O-NE2 3.14Å
267S96.2Very high97.2Very high84 Ų8447.6 Ų47.659%0.58726%0.256SS*.THydrogen-bonded Turntrans-68-34.9-173.8650000115.4D215 R265D215-S267 VanDerWaalsContact CG-OG 3.3Å; D215-S267 VanDerWaalsContact OD1-CB 3.32Å; D215-S267 WeakPolarHBondContact OD1-CB 3.44Å; D215-S267 PolarHBondContact OD1-N 2.77Å; D215-S267 PolarHBondContact OD1-OG 2.93Å; D215-S267 VanDerWaalsContact OD2-CB 3.29Å; D215-S267 WeakPolarHBondContact OD2-CB 3.44Å; D215-S267 PolarHBondContact OD2-OG 2.86Å; R265-S267 VanDerWaalsContact C-N 3.3Å; R265-S267 WeakPolarHBondContact CD-OG 3.4Å; R265-S267 WeakPolarHBondContact CG-OG 3.32Å; R265-S267 PolarHBondContact O-N 3.02Å
268D94.1Very high97.2Very high54 Ų5452.3 Ų52.329%0.28927%0.27SS..THydrogen-bonded Turntrans-1262-179.370.13.6000114.3R19 R265 E270R19-D268 IonicContact CZ-OD2 2.93Å; R19-D268 IonicContact NH1-OD2 3.75Å; R19-D268 PolarHBondContact NH1-OD2 3.04Å; R19-D268 IonicContact NH2-OD2 3.74Å; R19-D268 PolarHBondContact NH2-OD2 2.85Å; R265-D268 WeakPolarHBondContact CD-OD1 3.44Å; R265-D268 IonicContact NE-OD1 3.18Å; R265-D268 PolarHBondContact NE-OD1 2.92Å; R265-D268 IonicContact NE-OD2 3.57Å; R265-D268 PolarHBondContact NE-OD2 3.05Å; D268-E270 PolarHBondContact O-N 3.21Å; D268-E270 WeakPolarHBondContact OD1-CB 3.38Å; D268-E270 PolarHBondContact OD1-N 2.77Å
269Q95.9Very high97.2Very high103 Ų10349.6 Ų49.648%0.48125%0.253SS..  trans61.516.8-177.3-55.7-65.2-56.600114.9R264 R265 P266R264-Q269 VanDerWaalsContact CZ-OE1 3.27Å; R265-Q269 VanDerWaalsContact O-CA 3.22Å; R265-Q269 WeakPolarHBondContact O-CA 3.36Å; R265-Q269 PolarHBondContact O-N 3.18Å; P266-Q269 PolarHBondContact O-NE2 3.14Å
270E95.1Very high97.1Very high22 Ų2252.7 Ų52.710%0.10327%0.269CS..  trans-57.5141.2169.8-176.5174.5-163.200110.9R19 E185 L186 R264 R265 D268R19-E270 VanDerWaalsContact CD-OE1 3.23Å; R19-E270 WeakPolarHBondContact CD-OE1 3.43Å; R19-E270 WeakPolarHBondContact CG-OE1 3.24Å; R19-E270 IonicContact CZ-OE1 2.74Å; R19-E270 IonicContact CZ-OE2 3.79Å; R19-E270 IonicContact NE-OE1 3.76Å; R19-E270 IonicContact NE-OE2 3.46Å; R19-E270 IonicContact NH1-OE1 3.8Å; R19-E270 IonicContact NH1-OE2 3.97Å; R19-E270 PolarHBondContact NH1-OE2 2.75Å; R19-E270 IonicContact NH2-OE2 2.81Å; E185-E270 WeakPolarHBondContact CA-OE1 3.35Å; L186-E270 HydrophobicContact CD1-CB 4.37Å; L186-E270 HydrophobicContact CD1-CG 4.17Å; L186-E270 WeakPolarHBondContact CD1-O 3.34Å; L186-E270 HydrophobicContact CG-CG 4.13Å; R264-E270 CarbonylContact C-O 3.57Å; R264-E270 VanDerWaalsContact CA-O 3.24Å; R264-E270 WeakPolarHBondContact CA-O 3.48Å; R265-E270 HydrophobicContact CB-CB 4.32Å; R265-E270 IonicContact CZ-OE2 3.9Å; R265-E270 PolarHBondContact N-O 2.91Å; R265-E270 IonicContact NE-OE2 2.66Å; R265-E270 PolarHBondContact NE-OE2 3.4Å; R265-E270 IonicContact NH2-OE2 3.51Å; R265-E270 PolarHBondContact NH2-OE2 2.88Å; D268-E270 PolarHBondContact O-N 3.21Å; D268-E270 WeakPolarHBondContact OD1-CB 3.38Å; D268-E270 PolarHBondContact OD1-N 2.77Å
271V96.8Very high96.9Very high63 Ų6350.1 Ų50.138%0.38226%0.262SS..BIsolated β-bridgetrans-126.4151.3175.7-64.80000110.8L263 R264L263-V271 CarbonylContact O-C 3.56Å; L263-V271 VanDerWaalsContact O-CA 3.24Å; L263-V271 WeakPolarHBondContact O-CA 3.14Å; R264-V271 HydrophobicContact CB-CG1 4.07Å; R264-V271 HydrophobicContact CG-CG1 4.21Å
272S97.5Very high96.2Very high7 Ų753.1 Ų53.15%0.04928%0.278CS..PPolyproline II helixtrans-76168.5170.2710000112.1L186 L263 S274L186-S272 WeakPolarHBondContact O-CA 3.41Å; L186-S272 WeakPolarHBondContact O-CB 3.48Å; L263-S272 PolarHBondContact N-OG 3.22Å; L263-S272 PolarHBondContact O-N 2.76Å; S272-S274 PolarHBondContact O-N 2.61Å
273E96Very high94.9Very high169 Ų16959.5 Ų59.579%0.7931%0.308SS*.PPolyproline II helixtrans-50142.3155.5-65.4-169.8140.600110.7
274S96.7Very high93.2Very high57 Ų5767.3 Ų67.340%0.39934%0.342SS..PPolyproline II helixtrans-88130.9-175.468.80000112.5S272S272-S274 PolarHBondContact O-N 2.61Å
275M96.8Very high91.4Very high61 Ų6167.3 Ų67.330%0.334%0.344SS..EExtended strand (participates in β ladder)trans-98.3145.8170.5-171.9166.9-71.700110.8I188 V191 M261I188-M275 HydrophobicContact CB-CE 4.43Å; I188-M275 HydrophobicContact CD1-CB 4.41Å; I188-M275 HydrophobicContact CG2-CE 3.7Å; I188-M275 HydrophobicContact CG2-SD 4.1Å; V191-M275 HydrophobicContact CB-SD 4.42Å; V191-M275 HydrophobicContact CG1-SD 3.92Å; V191-M275 HydrophobicContact CG2-SD 3.62Å; M261-M275 HydrophobicContact CE-CB 4.43Å; M261-M275 HydrophobicContact CE-SD 4.4Å; M261-M275 PolarHBondContact N-O 2.9Å; M261-M275 PolarHBondContact O-N 3.03Å
276D98Very high89.4Confident84 Ų8473.3 Ų73.345%0.44938%0.382SS..EExtended strand (participates in β ladder)trans-76.3132.2174.9-76.5-14.8000111.5T258 K260T258-D276 HydrophobicContact CG2-CB 3.74Å; K260-D276 WeakPolarHBondContact CD-OD1 3.4Å; K260-D276 WeakPolarHBondContact CE-OD1 3.38Å; K260-D276 IonicContact NZ-OD1 2.74Å; K260-D276 PolarHBondContact NZ-OD1 3.08Å
277F98.3Very high87.5Confident0 Ų080.3 Ų80.30%040%0.403CS..EExtended strand (participates in β ladder)trans-124.8133.3169.6-174.1-86.6000110.3N194 I204 F220 T246 T258 V259 M261 Y279N194-F277 CarbonylContact O-C 3.36Å; N194-F277 WeakPolarHBondContact O-CA 3.5Å; I204-F277 HydrophobicContact CD1-CE2 3.93Å; I204-F277 HydrophobicContact CD1-CZ 4.46Å; F220-F277 HydrophobicContact CD1-CB 4.44Å; F220-F277 HydrophobicContact CD1-CD1 4.36Å; F220-F277 HydrophobicContact CD1-CG 4.45Å; F220-F277 HydrophobicContact CE1-CB 4.01Å; F220-F277 AromaticContact CE1-CD1 3.83Å; F220-F277 HydrophobicContact CE1-CD1 3.83Å; F220-F277 HydrophobicContact CE1-CD2 4.17Å; F220-F277 HydrophobicContact CE1-CE1 4.39Å; F220-F277 AromaticContact CE1-CG 3.72Å; F220-F277 HydrophobicContact CE1-CG 3.72Å; T246-F277 HydrophobicContact CG2-CE1 4.19Å; T246-F277 HydrophobicContact CG2-CE2 4.07Å; T246-F277 HydrophobicContact CG2-CZ 3.6Å; T258-F277 CarbonylContact C-O 3.53Å; T258-F277 WeakPolarHBondContact CA-O 3.37Å; V259-F277 HydrophobicContact CG2-CB 4.19Å; V259-F277 HydrophobicContact CG2-CD1 4.43Å; V259-F277 PolarHBondContact N-O 2.68Å; V259-F277 PolarHBondContact O-N 2.85Å; M261-F277 HydrophobicContact CB-CB 4.11Å; M261-F277 HydrophobicContact SD-CD2 4.38Å; F277-Y279 HydrophobicContact CD1-CD2 4.4Å; F277-Y279 HydrophobicContact CD1-CE2 4.32Å; F277-Y279 HydrophobicContact CE1-CD1 4.13Å; F277-Y279 HydrophobicContact CE1-CE1 4.1Å; F277-Y279 HydrophobicContact CE1-CG 4.39Å
278R98Very high85.7Confident134 Ų13477.7 Ų77.751%0.50639%0.389SS..EExtended strand (participates in β ladder)trans-110.5110.2-175.1-170.2-177.1-62.31543.9112.5N194 C195 G196 P256 V257 L280N194-R278 PolarHBondContact O-N 3.32Å; C195-R278 WeakPolarHBondContact CA-O 3.17Å; C195-R278 HydrophobicContact CB-CB 4.09Å; C195-R278 WeakPolarHBondContact CB-O 3.43Å; G196-R278 PolarHBondContact N-O 3.02Å; G196-R278 VanDerWaalsContact N-O 3.16Å; P256-R278 HydrophobicContact CB-CG 3.82Å; V257-R278 CarbonylContact O-C 3.59Å; V257-R278 WeakPolarHBondContact O-CA 3.44Å; R278-L280 HydrophobicContact CG-CD2 4.18Å
279Y97.9Very high84.1Confident0 Ų079.6 Ų79.60%040%0.399CS..EExtended strand (participates in β ladder)trans-69.8135.5166.3-74.5-72.4000110.7G196 S197 W225 P247 Y249 P256 V257 V259 F277G196-Y279 CarbonylContact O-C 3.6Å; G196-Y279 WeakPolarHBondContact O-CA 3.45Å; S197-Y279 WeakPolarHBondContact O-CD1 3.31Å; W225-Y279 AromaticContact CH2-CE2 3.76Å; W225-Y279 HydrophobicContact CH2-CE2 3.76Å; W225-Y279 HydrophobicContact CZ3-CE2 4.1Å; P247-Y279 WeakPolarHBondContact CG-OH 3.46Å; P247-Y279 WeakPolarHBondContact O-CE1 3.34Å; P247-Y279 PolarHBondContact O-OH 2.82Å; Y249-Y279 HydrophobicContact CD2-CD2 4.03Å; Y249-Y279 HydrophobicContact CD2-CE2 4.1Å; Y249-Y279 HydrophobicContact CG-CD2 4.11Å; Y249-Y279 HydrophobicContact CG-CE2 4.38Å; Y249-Y279 HydrophobicContact CG-CG 4.42Å; P256-Y279 CarbonylContact C-O 3.56Å; P256-Y279 VanDerWaalsContact CA-O 3.24Å; P256-Y279 WeakPolarHBondContact CA-O 3.24Å; V257-Y279 PolarHBondContact N-O 3.41Å; V257-Y279 PolarHBondContact O-N 2.92Å; V259-Y279 HydrophobicContact CG1-CD2 3.86Å; V259-Y279 HydrophobicContact CG1-CE2 4.08Å; V259-Y279 HydrophobicContact CG2-CD2 4.09Å; V259-Y279 HydrophobicContact CG2-CE2 3.81Å; F277-Y279 HydrophobicContact CD1-CD2 4.4Å; F277-Y279 HydrophobicContact CD1-CE2 4.32Å; F277-Y279 HydrophobicContact CE1-CD1 4.13Å; F277-Y279 HydrophobicContact CE1-CE1 4.1Å; F277-Y279 HydrophobicContact CE1-CG 4.39Å
280L95.9Very high82.4Confident66 Ų6680.8 Ų80.835%0.34640%0.403SS..EExtended strand (participates in β ladder)trans-107.2142.9178.5-54.7-178.7000110C195 G196 V198 P256 R278C195-L280 HydrophobicContact CB-CD1 4.39Å; C195-L280 HydrophobicContact CB-CG 4.37Å; G196-L280 PolarHBondContact O-N 3.02Å; V198-L280 WeakPolarHBondContact CB-O 3.39Å; V198-L280 PolarHBondContact N-O 3.45Å; P256-L280 HydrophobicContact CB-CD2 4.05Å; P256-L280 HydrophobicContact CG-CD2 4.24Å; R278-L280 HydrophobicContact CG-CD2 4.18Å
281P93.8Very high80.8Confident38 Ų3882.5 Ų82.525%0.24742%0.421CS..  trans-51.1143172.3-26.834.6000112.7I253 T254 E283I253-P281 HydrophobicContact CG1-CB 4.4Å; I253-P281 HydrophobicContact CG1-CG 4.14Å; I253-P281 WeakPolarHBondContact O-CB 3.42Å; T254-P281 VanDerWaalsContact C-CG 3.48Å; T254-P281 WeakPolarHBondContact O-CG 3.49Å; P281-E283 PolarHBondContact O-N 2.8Å
282D83.8Confident79.1Confident63 Ų6386.2 Ų86.234%0.33743%0.432SS..  trans-70.5112.3171.6-169.247.4000108.8V198 R199 K284V198-D282 HydrophobicContact CG1-CB 3.85Å; R199-D282 VanDerWaalsContact CD-CG 3.41Å; R199-D282 VanDerWaalsContact CD-OD1 3.24Å; R199-D282 WeakPolarHBondContact CD-OD1 3.4Å; R199-D282 WeakPolarHBondContact CD-OD2 3.36Å; R199-D282 HydrophobicContact CG-CB 4.38Å; D282-K284 WeakPolarHBondContact O-CG 3.33Å; D282-K284 PolarHBondContact O-N 3.49Å
283E71.1Confident77.5Confident156 Ų15693.1 Ų93.173%0.72946%0.461SS*.  trans-67.992.1178.1-71.4-164.7146.400110.1P281 D285P281-E283 PolarHBondContact O-N 2.8Å; E283-D285 PolarHBondContact O-N 2.88Å
284K62.5Low75.9Confident164 Ų16491.9 Ų91.971%0.71346%0.455SS*.SBendtrans-63.717.4-179.7-57.6-171.6179.8179.50114.9D282 K290D282-K284 WeakPolarHBondContact O-CG 3.33Å; D282-K284 PolarHBondContact O-N 3.49Å; K284-K290 PolarHBondContact O-NZ 3.42Å
285D59.7Low74.6Confident36 Ų3696.7 Ų96.719%0.19347%0.469CS..  trans-157.363.2-172.7-166.825.8000110.1E283 Y287 G288 N289 K290 A291E283-D285 PolarHBondContact O-N 2.88Å; D285-Y287 PolarHBondContact O-N 3.36Å; D285-G288 WeakPolarHBondContact O-CA 3.24Å; D285-G288 PolarHBondContact O-N 3.31Å; D285-G288 VanDerWaalsContact OD2-CA 3.3Å; D285-G288 WeakPolarHBondContact OD2-CA 3.26Å; D285-N289 WeakPolarHBondContact OD1-CA 3.44Å; D285-N289 PolarHBondContact OD1-N 3.32Å; D285-N289 PolarHBondContact OD2-N 2.75Å; D285-N289 VanDerWaalsContact OD2-N 3.09Å; D285-K290 HydrophobicContact CB-CD 4.32Å; D285-K290 PolarHBondContact OD1-N 3.48Å; D285-K290 WeakPolarHBondContact OD2-CA 3.5Å; D285-K290 WeakPolarHBondContact OD2-CB 3.24Å; D285-K290 PolarHBondContact OD2-N 3.5Å; D285-A291 PolarHBondContact OD2-N 3.44Å
286T56.1Low73.2Confident128 Ų12897.8 Ų97.879%0.78548%0.479SS*.THydrogen-bonded Turntrans-60.13.9-172.2-29.20000116
287Y58.1Low72Confident197 Ų19797.1 Ų97.177%0.77348%0.478SS*.THydrogen-bonded Turntrans-126.72.3174.9-100.1-99.9000112.5D285 N289D285-Y287 PolarHBondContact O-N 3.36Å; Y287-N289 WeakPolarHBondContact CB-ND2 3.32Å; Y287-N289 PolarHBondContact O-N 2.93Å
288G57.4Low70.7Confident29 Ų29103 Ų10330%0.29951%0.509SS..SBendtrans55.722.7-162.900000113D285 A291 K292D285-G288 WeakPolarHBondContact O-CA 3.24Å; D285-G288 PolarHBondContact O-N 3.31Å; D285-G288 VanDerWaalsContact OD2-CA 3.3Å; D285-G288 WeakPolarHBondContact OD2-CA 3.26Å; G288-A291 PolarHBondContact O-N 2.84Å; G288-K292 WeakPolarHBondContact O-CA 3.19Å; G288-K292 WeakPolarHBondContact O-CB 3.35Å; G288-K292 PolarHBondContact O-N 3.12Å
289N60.4Low69.5Low95 Ų95102 Ų10251%0.50851%0.513SS..Hα-helixtrans-69.3-35.3-169.2-96.8-26.2000113.2D285 Y287 K293D285-N289 WeakPolarHBondContact OD1-CA 3.44Å; D285-N289 PolarHBondContact OD1-N 3.32Å; D285-N289 PolarHBondContact OD2-N 2.75Å; D285-N289 VanDerWaalsContact OD2-N 3.09Å; Y287-N289 WeakPolarHBondContact CB-ND2 3.32Å; Y287-N289 PolarHBondContact O-N 2.93Å; N289-K293 WeakPolarHBondContact O-CA 3.28Å; N289-K293 WeakPolarHBondContact O-CB 3.36Å; N289-K293 PolarHBondContact O-N 3.42Å
290K60.5Low68.3Low128 Ų128108.2 Ų108.256%0.55754%0.54SS*.Hα-helixtrans-73-44.6173-60.5166.7-173.5162.50110.7K284 D285 K293 Q294K284-K290 PolarHBondContact O-NZ 3.42Å; D285-K290 HydrophobicContact CB-CD 4.32Å; D285-K290 PolarHBondContact OD1-N 3.48Å; D285-K290 WeakPolarHBondContact OD2-CA 3.5Å; D285-K290 WeakPolarHBondContact OD2-CB 3.24Å; D285-K290 PolarHBondContact OD2-N 3.5Å; K290-K293 PolarHBondContact O-N 3.01Å; K290-Q294 WeakPolarHBondContact O-CB 2.98Å; K290-Q294 WeakPolarHBondContact O-CG 3.46Å; K290-Q294 PolarHBondContact O-N 2.77Å
291A61.3Low67.3Low58 Ų58110.5 Ų110.548%0.47955%0.549SS..Hα-helixtrans-62.6-46.6177.100000111.8D285 G288 Q294 K295D285-A291 PolarHBondContact OD2-N 3.44Å; G288-A291 PolarHBondContact O-N 2.84Å; A291-Q294 PolarHBondContact O-N 3.09Å; A291-K295 WeakPolarHBondContact O-CB 3.22Å; A291-K295 PolarHBondContact O-N 2.78Å
292K61.5Low66.4Low141 Ų141114.5 Ų114.561%0.61356%0.563SS**Hα-helixtrans-66.2-43175.6-170.5174.8-177.9178.70111.2G288 K295 T296G288-K292 WeakPolarHBondContact O-CA 3.19Å; G288-K292 WeakPolarHBondContact O-CB 3.35Å; G288-K292 PolarHBondContact O-N 3.12Å; K292-K295 PolarHBondContact O-N 2.88Å; K292-T296 VanDerWaalsContact O-CB 3.28Å; K292-T296 WeakPolarHBondContact O-CB 3.43Å; K292-T296 PolarHBondContact O-N 2.8Å; K292-T296 PolarHBondContact O-OG1 2.74Å; K292-T296 VanDerWaalsContact O-OG1 3.12Å
293K64.1Low65.7Low151 Ų151116.1 Ų116.166%0.65757%0.571SS**Hα-helixtrans-60.4-46.7173.3-178.7175.3-178.8178.30111.5N289 K290 K295 T296 T297N289-K293 WeakPolarHBondContact O-CA 3.28Å; N289-K293 WeakPolarHBondContact O-CB 3.36Å; N289-K293 PolarHBondContact O-N 3.42Å; K290-K293 PolarHBondContact O-N 3.01Å; K293-K295 PolarHBondContact O-N 3.49Å; K293-T296 PolarHBondContact O-N 2.96Å; K293-T297 VanDerWaalsContact O-CB 3.22Å; K293-T297 WeakPolarHBondContact O-CB 3.3Å; K293-T297 PolarHBondContact O-N 2.82Å; K293-T297 PolarHBondContact O-OG1 3.41Å
294Q62.5Low65.4Low144 Ų144111.4 Ų111.467%0.67355%0.554SS**Hα-helixtrans-60.3-46.7175.5-77.9-179.7-20.100111.7K290 A291 T296 T297 L298K290-Q294 WeakPolarHBondContact O-CB 2.98Å; K290-Q294 WeakPolarHBondContact O-CG 3.46Å; K290-Q294 PolarHBondContact O-N 2.77Å; A291-Q294 PolarHBondContact O-N 3.09Å; Q294-T296 PolarHBondContact O-N 2.79Å; Q294-T297 PolarHBondContact O-N 3.03Å; Q294-L298 WeakPolarHBondContact O-CB 3.49Å; Q294-L298 PolarHBondContact O-N 3.11Å
295K69.1Low65.4Low158 Ų158109.1 Ų109.169%0.68755%0.546SS*.Hα-helixtrans-63.6-41.5179.3-152.5168.8-171.4174.40112.2A291 K292 K293 L299A291-K295 WeakPolarHBondContact O-CB 3.22Å; A291-K295 PolarHBondContact O-N 2.78Å; K292-K295 PolarHBondContact O-N 2.88Å; K293-K295 PolarHBondContact O-N 3.49Å; K295-L299 WeakPolarHBondContact O-CB 3.5Å; K295-L299 WeakPolarHBondContact O-CD1 3.44Å; K295-L299 VanDerWaalsContact O-CG 3.28Å; K295-L299 WeakPolarHBondContact O-CG 3.28Å; K295-L299 PolarHBondContact O-N 3.45Å
296T67.8Low65.3Low83 Ų83112.2 Ų112.251%0.50956%0.563SS.*Hα-helixtrans-69.7-39.6174.2-66.30000112.4K292 K293 Q294 L299 F300K292-T296 VanDerWaalsContact O-CB 3.28Å; K292-T296 WeakPolarHBondContact O-CB 3.43Å; K292-T296 PolarHBondContact O-N 2.8Å; K292-T296 PolarHBondContact O-OG1 2.74Å; K292-T296 VanDerWaalsContact O-OG1 3.12Å; K293-T296 PolarHBondContact O-N 2.96Å; Q294-T296 PolarHBondContact O-N 2.79Å; T296-L299 PolarHBondContact O-N 3.21Å; T296-F300 WeakPolarHBondContact O-CB 3.48Å; T296-F300 PolarHBondContact O-N 3.27Å
297T72.3Confident65.3Low70 Ų70113.2 Ų113.243%0.42956%0.558SS.*Hα-helixtrans-64.9-40.8175.5-700000111.2K293 Q294 F300 Q301K293-T297 VanDerWaalsContact O-CB 3.22Å; K293-T297 WeakPolarHBondContact O-CB 3.3Å; K293-T297 PolarHBondContact O-N 2.82Å; K293-T297 PolarHBondContact O-OG1 3.41Å; Q294-T297 PolarHBondContact O-N 3.03Å; T297-F300 PolarHBondContact O-N 3.11Å; T297-Q301 VanDerWaalsContact O-CB 3.24Å; T297-Q301 WeakPolarHBondContact O-CB 3.21Å; T297-Q301 PolarHBondContact O-N 3.25Å
298L71.5Confident65.1Low124 Ų124109.2 Ų109.265%0.64955%0.554SS**Hα-helixtrans-67.7-41.8177.4-156.1164.5000111.1Q294 Q301 K302Q294-L298 WeakPolarHBondContact O-CB 3.49Å; Q294-L298 PolarHBondContact O-N 3.11Å; L298-Q301 PolarHBondContact O-N 3.23Å; L298-K302 PolarHBondContact O-N 2.91Å
299L73.1Confident64.6Low114 Ų114114.3 Ų114.360%0.59757%0.574SS**Hα-helixtrans-62.3-42.6171.4-75.1166.6000112.8K295 T296 K302 L303K295-L299 WeakPolarHBondContact O-CB 3.5Å; K295-L299 WeakPolarHBondContact O-CD1 3.44Å; K295-L299 VanDerWaalsContact O-CG 3.28Å; K295-L299 WeakPolarHBondContact O-CG 3.28Å; K295-L299 PolarHBondContact O-N 3.45Å; T296-L299 PolarHBondContact O-N 3.21Å; L299-K302 PolarHBondContact O-N 3.21Å; L299-L303 PolarHBondContact O-N 3.46Å
300F72.8Confident63.7Low130 Ų130118.8 Ų118.857%0.5759%0.59SS**Hα-helixtrans-68.1-40.6178.1-177.3-101.6000111.8T296 T297 K302 L303 C304T296-F300 WeakPolarHBondContact O-CB 3.48Å; T296-F300 PolarHBondContact O-N 3.27Å; T297-F300 PolarHBondContact O-N 3.11Å; F300-K302 VanDerWaalsContact C-N 3.32Å; F300-K302 PolarHBondContact O-N 2.98Å; F300-L303 WeakPolarHBondContact O-CB 2.96Å; F300-L303 PolarHBondContact O-N 3.43Å; F300-C304 VanDerWaalsContact CE1-SG 3.57Å; F300-C304 PolarHBondContact O-N 3.04Å; F300-C304 PolarHBondContact O-SG 3.45Å; F300-C304 VanDerWaalsContact O-SG 3.33Å
301Q73.9Confident62.9Low113 Ų113118.6 Ų118.653%0.52860%0.601SS.*Hα-helixtrans-63.5-39.1175.8-172.4171.314.100111.4T297 L298 C304 Q305T297-Q301 VanDerWaalsContact O-CB 3.24Å; T297-Q301 WeakPolarHBondContact O-CB 3.21Å; T297-Q301 PolarHBondContact O-N 3.25Å; L298-Q301 PolarHBondContact O-N 3.23Å; Q301-C304 PolarHBondContact O-N 3.44Å; Q301-Q305 WeakPolarHBondContact O-CG 3.35Å; Q301-Q305 PolarHBondContact O-N 3.05Å
302K74.5Confident62Low123 Ų123123.9 Ų123.954%0.53562%0.616SS.*Hα-helixtrans-61.8-49.2170.6-172.4-174.6174.3-173.70111.5L298 L299 F300 C304 Q305 D306L298-K302 PolarHBondContact O-N 2.91Å; L299-K302 PolarHBondContact O-N 3.21Å; F300-K302 VanDerWaalsContact C-N 3.32Å; F300-K302 PolarHBondContact O-N 2.98Å; K302-C304 VanDerWaalsContact C-N 3.28Å; K302-C304 PolarHBondContact O-N 3.32Å; K302-Q305 WeakPolarHBondContact O-CA 3.47Å; K302-Q305 WeakPolarHBondContact O-CB 3.5Å; K302-Q305 PolarHBondContact O-N 3.31Å; K302-D306 PolarHBondContact O-N 3.33Å
303L70.1Confident60.6Low96 Ų96127.6 Ų127.650%0.50363%0.626SS.*Hα-helixtrans-57.2-41.5177.7-166.479.8000111.9L299 F300 D306 H307L299-L303 PolarHBondContact O-N 3.46Å; F300-L303 WeakPolarHBondContact O-CB 2.96Å; F300-L303 PolarHBondContact O-N 3.43Å; L303-D306 PolarHBondContact O-N 2.85Å; L303-H307 PolarHBondContact O-CD2 3.19Å; L303-H307 VanDerWaalsContact O-CD2 3.32Å; L303-H307 PolarHBondContact O-N 2.93Å
304C64.8Low59.6Low57 Ų57126 Ų12639%0.38563%0.631SS.*Hα-helixtrans-64.2-38.5174.6-70.40000112.5F300 Q301 K302 H307 V308F300-C304 VanDerWaalsContact CE1-SG 3.57Å; F300-C304 PolarHBondContact O-N 3.04Å; F300-C304 PolarHBondContact O-SG 3.45Å; F300-C304 VanDerWaalsContact O-SG 3.33Å; Q301-C304 PolarHBondContact O-N 3.44Å; K302-C304 VanDerWaalsContact C-N 3.28Å; K302-C304 PolarHBondContact O-N 3.32Å; C304-H307 PolarHBondContact O-N 2.81Å; C304-V308 WeakPolarHBondContact O-CG2 3.47Å
305Q62.9Low58.5Low117 Ų117130.4 Ų130.455%0.54764%0.642SS.*Hα-helixtrans-66.9-41.2175.9-75.3172.7-27.500112.3Q301 K302 H307 V308Q301-Q305 WeakPolarHBondContact O-CG 3.35Å; Q301-Q305 PolarHBondContact O-N 3.05Å; K302-Q305 WeakPolarHBondContact O-CA 3.47Å; K302-Q305 WeakPolarHBondContact O-CB 3.5Å; K302-Q305 PolarHBondContact O-N 3.31Å; Q305-H307 PolarHBondContact O-N 2.86Å; Q305-V308 PolarHBondContact O-N 3.32Å
306D57.1Low57.1Low100 Ų100129.3 Ų129.354%0.53565%0.651SS.*Hα-helixtrans-60.8-28175.1-67.1-31000111.5K302 L303K302-D306 PolarHBondContact O-N 3.33Å; L303-D306 PolarHBondContact O-N 2.85Å
307H56.2Low55.3Low150 Ų150129.1 Ų129.169%0.69467%0.665SS**THydrogen-bonded Turntrans-85.7-7.2179.1-89.3-70.1000116.5L303 C304 Q305L303-H307 PolarHBondContact O-CD2 3.19Å; L303-H307 VanDerWaalsContact O-CD2 3.32Å; L303-H307 PolarHBondContact O-N 2.93Å; C304-H307 PolarHBondContact O-N 2.81Å; Q305-H307 PolarHBondContact O-N 2.86Å
308V53Low53.6Low113 Ų113133.8 Ų133.869%0.68569%0.687SS**SBendtrans-84.6-17.5179.6-158.30000112.7C304 Q305 F310C304-V308 WeakPolarHBondContact O-CG2 3.47Å; Q305-V308 PolarHBondContact O-N 3.32Å; V308-F310 PolarHBondContact O-N 2.85Å
309N46.9Very low51.7Low135 Ų135136.1 Ų136.172%0.72270%0.699SS**  trans-93.465.3-171.8-71.8-55.5000113.6
310F42.2Very low49.7Very low189 Ų189134 Ų13483%0.82971%0.705SS**  trans-131.5129161.8-94.1-87.4000110.8V308V308-F310 PolarHBondContact O-N 2.85Å
311P44.1Very low48Very low124 Ų124132.6 Ų132.681%0.80571%0.711SS**  trans-76.6157.4-176.131.3-35.5000113.3
312E40.9Very low46.1Very low169 Ų169135.4 Ų135.479%0.7973%0.728SS**  trans-69.9170.6-177.9-58.9-172.6107.700115.5
313R33.7Very low44.1Very low219 Ų219132.4 Ų132.483%0.82673%0.732SS**  trans94.4142.8143.2-166.1-177.4-63.7-169.60.9117.1
314P42.7Very low42.4Very low117 Ų117137.4 Ų137.476%0.7675%0.753SS**  cis-123.3-178.3-1934.3-16.4000114.9
315R39Very low41Very low238 Ų238137.8 Ų137.890%0.89877%0.766SS**  trans-77.1154.9165.2-60.8177.4176.8163.9-2.4111.7
316P38.8Very low39.8Very low135 Ų135143.9 Ų143.988%0.87778%0.784SS**  -132.2178.885.838.6-27.8000112.5
317G31.3Very low38.7Very low78 Ų78148.8 Ų148.880%0.80480%0.797SS**  cis-164.1178.91.600000111
318L35.2Very low37.5Very low168 Ų168151.3 Ų151.388%0.8881%0.806SS**  trans-106.9137.1-158.9-179.276.5000116.8
319L32.5Very low36.5Very low173 Ų173155.6 Ų155.691%0.90682%0.815SS**  trans-171.1132.8141.8-139.565.5000106.5
320G31.1Very low35.9Very low70 Ų70156.9 Ų156.972%0.72282%0.815SS**  cis131.6153.232.500000106.4
321S36.9Very low35.5Very low101 Ų101154.8 Ų154.871%0.70681%0.807SS**  cis-168.6140.1-9.7-1700000110.4
322I34.8Very low35.7Very low171 Ų171153.9 Ų153.988%0.87780%0.802SS**  trans60.5140.5158.1-65.5164.9000118.4
323G32.4Very low35.2Very low60 Ų60154 Ų15462%0.61981%0.807SS**  cis171.9-178.6-4.800000113.5
324E34.3Very low35.1Very low201 Ų201150.2 Ų150.294%0.93980%0.803SS**  trans60.6145.3175.1-52.5-162.8143.900119.1
325G36Very low34.5Very low65 Ų65153 Ų15367%0.6780%0.804SS**  cis139.589.7-16.600000116.7
326R37.1Very low34.2Very low245 Ų245146.5 Ų146.593%0.92580%0.795SS**  trans-173.8172.2145.8-110.9177.2-69.7-162.23.4113.6
327Y33.6Very low33.9Very low203 Ų203149.7 Ų149.780%0.79680%0.797SS**  trans-125.3179-167.4-62.5-90.9000113.3
328F31.4Very low33.8Very low203 Ų203153.2 Ų153.289%0.8980%0.798SS**  trans74.9152.1174.6-43.8-74.5000114.9
329K31.6Very low33.7Very low203 Ų203149 Ų14988%0.88379%0.788SS**  cis-141.9160.45.6-168.8-178.1170.5-172.90110.6
330K35Very low33.7Very low162 Ų162147 Ų14770%0.70478%0.782SS**  trans-88162.6177.4-162.4-162.3177.2-161.60112.7
331E34Very low33.7Very low145 Ų145149.1 Ų149.168%0.67878%0.781SS**  trans96.9168.7144.5-115.2171.3-130.600118.1
332P47.3Very low33.4Very low106 Ų106154.4 Ų154.469%0.68879%0.785SS**  -120.1-173.3-109.142.6-27.6000113.5
333N30.6Very low33.1Very low170 Ų170153.5 Ų153.591%0.90978%0.777SS**  trans-131.8146.9164.2-85-49.1000112.1
334L31.6Very low33Very low141 Ų141158.8 Ų158.874%0.73879%0.788SS**  trans-153.4166.3-178.8-134.6173000107
335F30.9Very low33.4Very low176 Ų176154.7 Ų154.777%0.77278%0.779SS**  trans70.7129.7-170.3-52.6-80.7000113.1
336S32.8Very low33.1Very low101 Ų101158.3 Ų158.371%0.70679%0.788SS**  cis81.6125.138.9-56.60000113.8
337H32Very low32.7Very low202 Ų202150.1 Ų150.194%0.93578%0.78SS**  trans-158.7179.9139.6-112.5-69.5000110.9
338D28.4Very low32.6Very low151 Ų151147.5 Ų147.581%0.80779%0.785SS**  trans-135.3-173.2-151.6-171.412.4000111.1
339A32.8Very low32.5Very low81 Ų81143 Ų14367%0.66978%0.779SS**  trans87.2151162.500000117.4
340V33Very low32.5Very low130 Ų130138 Ų13879%0.78877%0.77SS**  cis-165.7137.9-9.4120.20000112.5
341V31.3Very low32.3Very low115 Ų115139.6 Ų139.670%0.69778%0.779SS**  trans50.8124.8142.4179.30000124.3
342R30Very low32.1Very low211 Ų211137.5 Ų137.580%0.79679%0.787SS**  trans59.4165.7150.3-77.2172.9171.1-143.6-4.1119.1
343E28.8Very low31.3Very low152 Ų152141 Ų14171%0.7179%0.794SS**  cis-144.6179.31-140.7149.6-150.200112.2
344M31.4Very low31.4Very low171 Ų171137.7 Ų137.784%0.84278%0.784SS**  trans-98.5150.8176.6-91.3-76.6-173.300111.2
345P41.3Very low31.5Very low116 Ų116141 Ų14175%0.75379%0.788SS**  -154.4171.477.340-18.7000119.8
346T31.3Very low31.8Very low140 Ų140143 Ų14386%0.85979%0.792SS**  trans-10.5140.9168.249.30000123.1
347G28.1Very low32.5Very low74 Ų74144.1 Ų144.176%0.76380%0.797SS**  trans-17647.3169.300000123.5
348V30.6Very low32.6Very low148 Ų148139.7 Ų139.790%0.89779%0.789SS**  trans68.5139.4150.2-172.80000122.3
349S29.8Very low34.1Very low109 Ų109138.3 Ų138.376%0.76279%0.788SS**  trans76.3143.3166.1-1330000118.4
350S31.2Very low34.1Very low98 Ų98138 Ų13869%0.68579%0.792SS**  cis-147.8155.39.2-49.70000112.7
351Q30.7Very low34.7Very low195 Ų195138.2 Ų138.291%0.91180%0.796SS**  trans29.7139.3148.9-71.3-178.4-11.100121.6
352A30.4Very low34.8Very low101 Ų101140.3 Ų140.384%0.83580%0.802SS**  cis-159.1167.10.200000111.3
353E31.1Very low34.8Very low180 Ų180135 Ų13584%0.84180%0.797SS**  trans-153.1171-170.6-171.1174.6-131.800111.3
354S32.5Very low34.9Very low99 Ų99133.2 Ų133.269%0.69280%0.802SS**  trans109.8144.3168.5-55.50000116.3
355Y32.9Very low34.8Very low212 Ų212128.7 Ų128.783%0.83180%0.799SS**  cis-160.4163.9-18.1-120.4-68.4000110.2
356Y38.3Very low34.4Very low217 Ų217131.4 Ų131.485%0.85181%0.806SS**  trans-73.2161.2166.5-103.8-85.4000112.8
357P46.4Very low34.4Very low125 Ų125128.9 Ų128.981%0.81279%0.794SS**  -155.1-171116.440-21.1000116.9
358S34Very low34.7Very low108 Ų108133.9 Ų133.976%0.75580%0.797SS**  trans-169.6167.4180-1790000108.3
359P61Low34.8Very low122 Ų122135.8 Ų135.879%0.79280%0.796SS**  cis-130.6176-3134.2-15.2000115.9
360G31.2Very low34.8Very low74 Ų74135.2 Ų135.276%0.76380%0.798SS**  trans89.9171.7160.700000117.8
361P47.3Very low34.8Very low135 Ų135135.4 Ų135.488%0.87780%0.799SS**  cis-126.3-117.7341.2-21.8000116
362I32.3Very low34.9Very low160 Ų160134.2 Ų134.282%0.82180%0.796SS**  trans-126.3152.6-148-7.6176.7000118.5
363S31.1Very low35.2Very low99 Ų99135.5 Ų135.569%0.69279%0.794SS**  trans107131.5136.7-160.80000123.3
364S30.7Very low35.9Very low115 Ų115133 Ų13380%0.80479%0.793SS**  trans61.6126.6143.253.40000123.7
365G28.7Very low36Very low76 Ų76136 Ų13678%0.78480%0.8SS**  trans171.4155163.800000114.6
366L32.4Very low36.7Very low172 Ų172131.8 Ų131.890%0.90180%0.799SS**  trans-136.4157.9-172-66.4170.6000110.8
367S32.1Very low36.5Very low88 Ų88127.4 Ų127.462%0.61580%0.8SS**  cis-141.2-134.9-4.6-123.60000109.3
368H34Very low36.1Very low178 Ų178127.3 Ų127.382%0.82480%0.802SS**  cis-155.9-170.212.7-92.2-76.5000110.9
369H33.3Very low36.1Very low188 Ų188126.7 Ų126.787%0.8780%0.798SS**  trans-54.9144-179.8-92.9-128.7000117.6
370A29.9Very low34.7Very low98 Ų98132.8 Ų132.881%0.8181%0.806SS**  -162.1157.3113.700000111.8
371S31.7Very low34.9Very low101 Ų101134 Ų13471%0.70680%0.802SS**  trans-78.7151-174.346.30000115.1
372M31.6Very low34.3Very low170 Ų170132.3 Ų132.384%0.83779%0.794SS**  174.6144.1123.1-92.9-61.315300111.9
373T37.5Very low34.3Very low129 Ų129131.8 Ų131.879%0.79180%0.797SS**  trans-131.9132.5175.741.20000111.8
374P45.4Very low34.3Very low127 Ų127131 Ų13183%0.82580%0.797SS**PPolyproline II helixtrans-99.4147.9164.1-4.124.6000112.7
375L34.9Very low34.6Very low162 Ų162134.2 Ų134.285%0.84880%0.799SS**PPolyproline II helixtrans-87.3166.1169.6-108.171.1000111.8
376P47.8Very low35.5Very low123 Ų123136.8 Ų136.880%0.79980%0.802SS**PPolyproline II helixtrans-81.2162.417834.9-35.2000113.1
377S32.5Very low35.5Very low125 Ų125135.9 Ų135.987%0.87480%0.798SS**PPolyproline II helixtrans-100.6165.6175.853.70000113.4
378S38.2Very low36.3Very low123 Ų123136.6 Ų136.686%0.8680%0.801SS**  trans-126.7-174.9-158.855.40000114.6
379S34.3Very low36.2Very low96 Ų96139.2 Ų139.267%0.67180%0.803SS**  trans-97.3179.5-168.3-53.30000115.1
380W32.2Very low36.1Very low250 Ų250136 Ų13695%0.94780%0.802SS**  trans85148.8163.8-58.8-10000117
381S35.6Very low36.1Very low98 Ų98134.8 Ų134.869%0.68580%0.799SS**  cis-172.1172.5-14.854.90000113.3
382S34.8Very low35.9Very low100 Ų100137.8 Ų137.870%0.69981%0.807SS**  trans110.9126.9139.7-61.90000123.2
383V32.6Very low35.9Very low149 Ų149135.7 Ų135.790%0.90380%0.804SS**  trans73.5151.4146.5166.70000116.6
384A29.8Very low35.8Very low82 Ų82137.2 Ų137.268%0.67881%0.807SS**  cis-142.5-15318.600000115.7
385H36.3Very low35.9Very low183 Ų183137.2 Ų137.285%0.84781%0.807SS**  trans-134.3168.9176.7-59.1-68.4000112.9
386P49.3Very low36Very low131 Ų131137.3 Ų137.385%0.85181%0.808SS**  -137.6178.385.230.5-11.2000116.3
387N32.3Very low35.2Very low153 Ų153136.9 Ų136.982%0.81881%0.808SS**  trans-93.8-176.6-174.5-131.6-13.2000111.7
388P48.4Very low35.2Very low103 Ų103135.8 Ų135.867%0.66980%0.8SS**  cis-149172.532.545.4-25.1000120.1
389R31.3Very low34.8Very low233 Ų233139.6 Ų139.688%0.87980%0.802SS**  trans65.7143.9161.3-68.1170.2-178.8-173.5-0116.4
390S32.1Very low34.7Very low120 Ų120140.4 Ų140.484%0.83981%0.807SS**  cis-165.1168.6-10-102.30000107.4
391G28.8Very low34.6Very low73 Ų73134.8 Ų134.875%0.75380%0.8SS**  cis160.1139.3-0.700000109.3
392N28.5Very low34.3Very low164 Ų164133.4 Ų133.488%0.87780%0.802SS**  trans-154.3146.1-172.9-164.917.5000111.2
393T31.8Very low34.1Very low125 Ų125135.7 Ų135.777%0.76781%0.812SS**  trans-151.4134.3-170.551.80000115.7
394N35.2Very low34.2Very low161 Ų161136.3 Ų136.386%0.86181%0.809SS**  trans-150.4139.1158.5-97.5-25.4000108.1
395P47Very low35.1Very low128 Ų128137.7 Ų137.783%0.83181%0.811SS**  -146.9177.712436.1-18.9000114.6
396L36.3Very low35Very low164 Ų164133.8 Ų133.886%0.85980%0.804SS**  trans-91.2153.8-176.1-88.266.2000114.4
397S32.1Very low34.1Very low113 Ų113134.9 Ų134.979%0.7980%0.803SS**  141.9158.8115.667.50000117.4
398S31.4Very low34.3Very low102 Ų102131.5 Ų131.571%0.71379%0.791SS**  trans94.999.2156.672.30000122.7
399F30.8Very low33.6Very low204 Ų204136 Ų13690%0.89580%0.803SS**  trans38.3122.4135.8-60.9-73.2000126.3
400S30.9Very low33.4Very low113 Ų113128.4 Ų128.479%0.7980%0.798SS**  -176168.3123.7-87.90000113.5
401T32Very low33.5Very low131 Ų131130.7 Ų130.780%0.80480%0.799SS**  cis-172.2135-34.8-80.30000109.6
402G28.8Very low34.4Very low70 Ų70132.7 Ų132.772%0.72280%0.799SS**  trans88.5149.3170.300000116.3
403T31.1Very low35.7Very low148 Ų148129.5 Ų129.591%0.90879%0.787SS**  cis-145.7162.4-0.333.90000112.5
404L33.7Very low35.6Very low162 Ų162132.2 Ų132.285%0.84879%0.789SS**  trans-96.3176.5177.4-87.1167.6000111.2
405P48.1Very low35.5Very low111 Ų111130.7 Ų130.772%0.72178%0.78SS**  cis-151.3160.127.743.2-21.5000122.3
406S35.1Very low34.6Very low100 Ų100134.7 Ų134.770%0.69978%0.778SS**  trans74.5145.1135.3-67.10000126.5
407N31.2Very low34.6Very low155 Ų155133.9 Ų133.983%0.82977%0.773SS**  trans73.5149154.1-77.76000120.7
408S35.8Very low35.1Very low81 Ų81134 Ų13457%0.56677%0.771SS**  cis-175.6153.4-19.252.10000112.2
409Q33.2Very low35.1Very low197 Ų197137.1 Ų137.192%0.92178%0.778SS**  trans63.7170166-62.3168.9-2.300114.9
410G27.1Very low35.1Very low74 Ų74130.5 Ų130.576%0.76377%0.768SS**  cis173146.9-8.600000111.8
411I34.2Very low35Very low169 Ų169132.1 Ų132.187%0.86777%0.767SS**  trans-69.3170.3172.917173.4000111.8
412P48.9Very low35Very low115 Ų115132.6 Ų132.675%0.74777%0.765SS**  cis-137.2-114.118.727.12.5000118.6
413P55.6Low35.3Very low97 Ų97137.6 Ų137.663%0.6377%0.774SS**  -137.3-170.2-107.744.2-25.4000119.8
414F30Very low35.2Very low182 Ų182137.5 Ų137.580%0.79877%0.768SS**  trans103.2126.9142.7-81.5-41000124.8
415L32Very low35Very low129 Ų129133.7 Ų133.768%0.67576%0.76SS**  trans50.3120134.4-74.4165.3000125.7
416R27.9Very low34.3Very low212 Ų212133 Ų13380%0.876%0.758SS**  75.1104.6117.2-166.5-177.6-123.5172.50.1122.3
417I36.5Very low34Very low146 Ų146136 Ų13675%0.74977%0.766SS**  41.2120.9122.7-62.7172.3000117.6
418P43.8Very low34.2Very low116 Ų116133.2 Ų133.275%0.75377%0.765SS**  -150.6148.986.839.7-21.4000120.4
419I31Very low33.8Very low168 Ų168135.5 Ų135.586%0.86278%0.78SS**  trans19.3131.2136.8-51.3172.9000119.7
420G30.4Very low33.8Very low65 Ų65134 Ų13467%0.6778%0.776SS**  trans-177.4110.415900000116.7
421N29.6Very low33.9Very low146 Ų146140.7 Ų140.778%0.78178%0.78SS**  trans51.9122.2152.2-60.223.9000123.6
422D31.2Very low33.9Very low141 Ų141139.4 Ų139.475%0.75478%0.775SS**  23.1128.3125.7-42.8-37.5000121.1
423L35.2Very low33Very low176 Ų176141 Ų14192%0.92178%0.777SS**  -170.8171.1102-102.2168.6000114.7
424N29.6Very low31.9Very low145 Ų145140 Ų14078%0.77578%0.777SS**  trans-87-175.2-165.3-168.612000114.2
425A29.9Very low32.4Very low83 Ų83138.5 Ų138.569%0.68678%0.777SS**  trans98.779.616200000119.2
426S31.5Very low32.5Very low97 Ų97138.8 Ų138.868%0.67878%0.779SS**  36.2145.5114.2-47.10000123.6
427N29.6Very low33Very low161 Ų161135 Ų13586%0.86177%0.774SS**  trans93.5119.1150.9-60.8-19.5000119.5
428A34.4Very low33Very low97 Ų97134.6 Ų134.680%0.80278%0.777SS**  trans-95.5155.3156.300000110
429C28.7Very low32.4Very low130 Ų130132.6 Ų132.688%0.87878%0.778SS**  trans-134.3139.5160.4-70.90000109.9
430I33.2Very low32.7Very low165 Ų165131.9 Ų131.985%0.84677%0.773SS**  trans-99.1142.4172.4-71.9174.8000108.3
431Y29.4Very low32.8Very low215 Ų215137 Ų13784%0.84378%0.78SS**  trans-71.3130.9170.5-102.2-100.4000111.2
432N32.9Very low32.9Very low142 Ų142134.7 Ų134.776%0.75978%0.781SS**  trans-171.8126.9133.2-96.9-35.8000112.4
433N30.5Very low33Very low148 Ų148133.4 Ų133.479%0.79178%0.783SS**  trans43.2132.8149.3-55.3-22.1000122.2
434A33.8Very low32.8Very low76 Ų76130.3 Ų130.363%0.62878%0.776SS**  trans-80.6-180153.100000109.7
435D38.8Very low32.9Very low151 Ų151131.4 Ų131.481%0.80778%0.778SS**  cis-140.2-179.712.9-43.3-94.9000108.9
436D35.6Very low34.5Very low135 Ų135132.8 Ų132.872%0.72278%0.78SS**  cis-161.3-179.74.5-154.1-8.4000111.2
437I38.1Very low35.9Very low132 Ų132133.6 Ų133.668%0.67778%0.783SS**  trans69100.4150.2-71.2157.1000120.6
438V35.1Very low36.2Very low137 Ų137129.9 Ų129.983%0.8378%0.775SS**  49.6122.1129-171.40000121.6
439G32.2Very low36.2Very low75 Ų75132 Ų13277%0.77377%0.773SS**  trans179.6119.8156.400000113.2
440M36.7Very low36.5Very low152 Ų152132.3 Ų132.375%0.74977%0.765SS**  trans-93.4150.7-167-64.5164.365.800115.2
441E33.7Very low36.6Very low173 Ų173135.2 Ų135.281%0.80877%0.767SS**  trans66.5149.9145.8-77.6166.9-150.300119.7
442A31Very low36.6Very low97 Ų97128.6 Ų128.680%0.80276%0.764SS**  cis-147.5-177.5-0.600000112.3
443S33.3Very low36.5Very low115 Ų115129.8 Ų129.880%0.80477%0.769SS**  trans-87.7-176.4177.560.60000112.3
444S30.7Very low36.8Very low110 Ų110127.1 Ų127.177%0.76976%0.762SS**  cis-164.9-177.336.857.80000115.9
445M31.1Very low36.9Very low168 Ų168129.8 Ų129.883%0.82877%0.765SS**  trans-99.5-160.6-174-69.2-9294.300112.7
446P64.8Low36.7Very low112 Ų112129.7 Ų129.773%0.72776%0.76SS**  -125.3-135-66.939.6-20.7000109.8
447P61.3Low36.6Very low115 Ų115128.8 Ų128.875%0.74776%0.755SS**  cis-135.4-172.2-26.937.8-17.8000116.4
448A35.7Very low36.6Very low83 Ų83130.9 Ų130.969%0.68676%0.764SS**  trans104.4119.3138.900000123.7
449D33.7Very low36.6Very low142 Ų142131.6 Ų131.676%0.75976%0.762SS**  69.4115.6123.6-60.5-3.1000127.4
450L35.4Very low36.5Very low135 Ų135134.1 Ų134.171%0.70777%0.768SS**  74.1134.7122-67.7170.3000125.6
451Y35Very low36.4Very low226 Ų226133.8 Ų133.889%0.88677%0.769SS**  trans60.4143.3155-67.7-62.8000122.1
452G29.1Very low36.2Very low76 Ų76130.8 Ų130.878%0.78477%0.766SS**  trans161.4135.1163.400000116
453I31.2Very low36.2Very low168 Ų168131.5 Ų131.586%0.86277%0.765SS**  trans-151.8141.8-168.1-79.3170.8000107.9
454S36.3Very low36.2Very low91 Ų91132.2 Ų132.264%0.63676%0.764SS**  cis-161-175.5-8.155.20000111.5
455D35.3Very low36.3Very low132 Ų132133.6 Ų133.671%0.70676%0.763SS**  trans105141.5139.8-99.9-67.7000124.8
456H34.5Very low36.3Very low150 Ų150133.3 Ų133.369%0.69476%0.762SS**  trans82.4118.1152.5-91.346000125.3
457N34.8Very low34.7Very low116 Ų116135.9 Ų135.962%0.6277%0.766SS**  trans56.8123.9146.8-66.1-23.6000120.5
458M37.8Very low33.1Very low176 Ų176136 Ų13687%0.86777%0.765SS**  -153.1168.359.6-91.4-63.6176.500115.4
459L34.1Very low32.7Very low152 Ų152138.1 Ų138.180%0.79677%0.769SS**  trans-100.8154.9-174.9-80.8157.5000114.7
460S31.8Very low32.4Very low127 Ų127137.1 Ų137.189%0.88877%0.774SS**  trans-158.9144138.8-80.60000110.7
461N33Very low32.2Very low146 Ų146137.4 Ų137.478%0.78178%0.776SS**  trans-161.3-173.8-173.2-158.5-5000109.7
462C31.1Very low32Very low109 Ų109133.8 Ų133.874%0.73677%0.772SS**  trans81.9164.6168.7-55.50000118
463S30.4Very low32.1Very low113 Ų113134.6 Ų134.679%0.7977%0.765SS**  -170.2171.7-50.555.80000111.5
464V33.7Very low32.3Very low129 Ų129133.9 Ų133.978%0.78276%0.76SS**  trans-72.3162.2-169.8-131.20000117.5
465N31.3Very low32.4Very low140 Ų140136.3 Ų136.375%0.74976%0.762SS**  trans114.6116137.7-84.2-6.5000122.8
466M32.4Very low32.4Very low162 Ų162137.8 Ų137.880%0.79876%0.764SS**  58.3125.4129.7-70.3-65.4-177.600125.1
467M30.8Very low32.5Very low165 Ų165135.5 Ų135.581%0.81376%0.761SS**  trans90.8141.9135.7-89.9-172.9172.300124.2
468T27.4Very low32.3Very low118 Ų118137.2 Ų137.272%0.72477%0.77SS**  trans79.5118.6153.341.50000123.3
469T26.7Very low32.2Very low127 Ų127136 Ų13678%0.77977%0.767SS**  trans58.1117.4140.156.20000122.5
470S27.8Very low33.4Very low121 Ų121133.1 Ų133.185%0.84676%0.757SS**  -175.2177.3106.552.80000112.2
471N31.6Very low33.6Very low141 Ų141137.5 Ų137.575%0.75476%0.755SS**  trans-101.4-179.8-165.1-75.74.3000115.6
472D30.1Very low33.7Very low150 Ų150137.7 Ų137.780%0.80276%0.755SS**  trans81.8141.2151.4-61-34.9000118.4
473S32.1Very low33.8Very low93 Ų93138.6 Ų138.665%0.6575%0.752SS**  cis-166.7166-1048.40000112.3
474M36.3Very low33.8Very low153 Ų153138.5 Ų138.575%0.75475%0.751SS**  trans61.5152.7155.7-98.476.5179.600119.7
475E37.5Very low34Very low142 Ų142140.6 Ų140.666%0.66475%0.754SS**  cis-160156.4-11.1-148.3152.7-145.900110.2
476E35.4Very low33.9Very low164 Ų164142 Ų14277%0.76676%0.762SS**  trans39.4155.2147.9-82.4-165.1149.900124.5
477T36.2Very low33.9Very low101 Ų101142.6 Ų142.662%0.6277%0.768SS**  cis-148.6176.21.5-11.20000112.8
478D31.7Very low34Very low152 Ų152142.8 Ų142.881%0.81377%0.766SS**  trans88.2146.2152.7-76.8-18000123.4
479N35Very low34.4Very low151 Ų151143.7 Ų143.781%0.80777%0.767SS**  trans-176-168-152.1-130.8-34.3000106.5
480P58.5Low35.6Very low91 Ų91143.6 Ų143.659%0.59177%0.768SS**  cis-136.5-165.9-1630.1-5.5000114.9
481R37.4Very low36Very low219 Ų219143 Ų14383%0.82676%0.764SS**  trans96.3137.3158.3-55176.1179.8165.71.6115.9
482L35Very low35.9Very low150 Ų150142.6 Ų142.679%0.78577%0.771SS**  cis-159.6175.7-12.8-102.5177.5000106.1
483L32.7Very low35.9Very low128 Ų128142.8 Ų142.867%0.6777%0.772SS**  cis-153.1150.112.1-145-176.4000108.8M485L483-M485 HydrophobicContact CD2-CE 4.49Å; L483-M485 HydrophobicContact CD2-CG 4.32Å
484S29.6Very low35.8Very low111 Ų111143.3 Ų143.378%0.77678%0.775SS**  trans-151.9162.2160.864.20000110.8
485M37.6Very low35.5Very low173 Ų173142.2 Ų142.285%0.85278%0.777SS**  trans-140.2141.2175.9-73.1-170.7173.900112L483L483-M485 HydrophobicContact CD2-CE 4.49Å; L483-M485 HydrophobicContact CD2-CG 4.32Å
486N29.5Very low35.1Very low169 Ų169143.4 Ų143.490%0.90479%0.787SS**  trans-145.3158.1166.3-99.9-37.3000107.1
487L33.7Very low34.7Very low176 Ų176142.4 Ų142.492%0.92179%0.787SS**  trans-150.8137.7-176.5-166.472.9000111.7
488E31.2Very low35.4Very low168 Ų168141.8 Ų141.879%0.78579%0.785SS**  trans-156160.2177.4-162.3175-134.900111.5
489N36Very low35.4Very low138 Ų138144.8 Ų144.874%0.73879%0.785SS**  trans70.5163.4169.3-77.2-43.7000117.5
490P52.9Low35.3Very low125 Ų125143.8 Ų143.881%0.81278%0.78SS**  cis-132.1-165.314.744.1-26.8000117.1
491S37Very low34.1Very low109 Ų109146.6 Ų146.676%0.76279%0.789SS**  trans-112161.9-169.5570000116.2
492C28.3Very low33.9Very low132 Ų132146.5 Ų146.589%0.89279%0.788SS**  trans-146.9178.6173.2-1000000114.3
493N30.5Very low33.8Very low154 Ų154148.4 Ų148.482%0.82479%0.793SS**  trans-112.3164.4-152.4-70-55.7000119.3
494S29.1Very low33.7Very low103 Ų103148.4 Ų148.472%0.7279%0.793SS**  trans73.7117.5136.7600000125.4
495V29.7Very low33.9Very low130 Ų130150.5 Ų150.579%0.78879%0.791SS**  44.1119.5127.4-163.30000121.3
496L29.4Very low33.7Very low168 Ų168149.3 Ų149.388%0.8878%0.783SS**  171170.4124.5-92.9176.5000113.5
497D28.6Very low33.6Very low142 Ų142149.2 Ų149.276%0.75978%0.779SS**  trans-146.5169.7-177.9-170.941.9000107
498P50.7Low33.7Very low89 Ų89146.6 Ų146.658%0.57878%0.776SS**  cis-133.4-171.3-1020.66.4000116.1
499R31.1Very low34Very low214 Ų214144 Ų14481%0.80878%0.776SS**  trans98.4133.5146.5-58.6-160.2-170.31784.4122.9
500D32.9Very low34Very low131 Ų131141.8 Ų141.870%0.70177%0.771SS**  trans49.5147.8136.6-59-50.8000121.2
501L32.6Very low33.2Very low150 Ų150140.4 Ų140.479%0.78577%0.765SS**  cis-164.1150.343.7-147.2133.8000116
502R33Very low33Very low216 Ų216143.1 Ų143.182%0.81577%0.767SS**  trans-29.3152.8174.8-50.6165.7170.7-172.8-5.6122.6
503Q32.7Very low33.3Very low191 Ų191141.1 Ų141.189%0.89376%0.755SS**  trans-165.7162.4130.3-95.3-172.4-4.100109.5
504L31.3Very low33.4Very low127 Ų127138.7 Ų138.767%0.66576%0.756SS**  cis-164.2152.8-45.1-159.175.7000109.2
505H33.4Very low33.4Very low156 Ų156137.4 Ų137.472%0.72276%0.759SS**  trans67.8155.8168-67.9170.6000119.3
506Q33.5Very low33.9Very low148 Ų148135.8 Ų135.869%0.69276%0.76SS**  cis-164.9160.6-33.5-159.1174.65000110.9
507M27.7Very low34Very low166 Ų166136 Ų13682%0.81876%0.762SS**  trans89.9146.1164-56.1-156.6174.700120
508S35.6Very low34.4Very low122 Ų122133.1 Ų133.185%0.85376%0.758SS**  trans-102.6-179.3-172-37.60000110.9
509S37.1Very low33.5Very low113 Ų113135.8 Ų135.879%0.7977%0.767SS**  cis-155-174.87.161.10000108.1
510S36.8Very low33.5Very low92 Ų92131.1 Ų131.164%0.64376%0.762SS**  cis-159.3156.27.653.80000111.7
511S36Very low33.4Very low96 Ų96130.8 Ų130.867%0.67177%0.765SS**  trans56.3137.9149.857.20000121.5
512M33.1Very low33.2Very low165 Ų165129 Ų12981%0.81376%0.76SS**  cis-158.4156.2-8.4-111.9-55.3109.700111.5
513S34.8Very low33Very low90 Ų90127.9 Ų127.963%0.62976%0.762SS**  trans-8.3135.8164.652.80000119.7
514A32.9Very low32.8Very low103 Ų103124.4 Ų124.485%0.85175%0.753SS**  66.4152.454.700000113.6
515G28.3Very low32.5Very low77 Ų77122.9 Ų122.979%0.79475%0.753SS**  cis163.7153.6-0.600000110
516A39.2Very low32.3Very low96 Ų96123.5 Ų123.579%0.79376%0.756SS**  trans-88154.2-179.100000112.8
517N32.9Very low32.1Very low173 Ų173120.7 Ų120.793%0.92575%0.753SS**  trans-172.3166.3133.8-97.6-16.6000112.4
518A36Very low32.1Very low81 Ų81120.3 Ų120.367%0.66975%0.754SS**  trans-115.1179.3-176.300000112.1
519N32.5Very low32Very low144 Ų144117.8 Ų117.877%0.7774%0.741SS**  -179.8141.8123.7-92.9-17.8000115
520T30.8Very low31.6Very low117 Ų117121.3 Ų121.372%0.71874%0.742SS**  trans42.6137.914266.40000120.7
521T30.5Very low31.1Very low123 Ų123125.4 Ų125.476%0.75575%0.751SS**  -173.3150.15845.10000114.6
522V29.7Very low30.7Very low113 Ų113124.1 Ų124.169%0.68575%0.753SS**  trans71.7142.7135.91680000122.5
523F28.4Very low30.6Very low192 Ų192121 Ų12184%0.84275%0.747SS**  trans60.2165174.6-69.9-53.8000116.9
524V27.6Very low30.5Very low118 Ų118122.8 Ų122.872%0.71575%0.75SS**  175.9150.6-51139.10000107.8
525S26.3Very low30.5Very low95 Ų95126.4 Ų126.466%0.66475%0.747SS**  trans75.7135.4168-72.80000120.7
526Q27.5Very low30.6Very low170 Ų170129.9 Ų129.979%0.79475%0.748SS**  trans38.5114.5135-65.7175-50.300118.6
527S30.7Very low30.1Very low88 Ų88131.4 Ų131.462%0.61575%0.751SS**  80.1125.757.476.40000113.8
528D27.7Very low30.2Very low158 Ų158127.5 Ų127.585%0.84574%0.743SS**  trans63156.5176.2-50.8-44000114.6
529A33.4Very low30.1Very low69 Ų69130.4 Ų130.457%0.5775%0.747SS**  cis-172.5-178.6-2900000105.3
530F27.5Very low30.2Very low188 Ų188129.6 Ų129.683%0.82574%0.742SS**  trans66.8154173.8-63.3-88.9000114.3
531E27.9Very low30.5Very low177 Ų177128.7 Ų128.783%0.82774%0.741SS**  cis-165.6156.8-13.9165.7164.8-134.600110
532G27Very low30.7Very low70 Ų70130.1 Ų130.172%0.72274%0.741SS**  trans90.6157.8174.100000116.1
533S31.6Very low31.2Very low98 Ų98131.4 Ų131.469%0.68574%0.743SS**  cis-161.5162.4-11.468.10000113.5
534D32.2Very low31.4Very low129 Ų129129.3 Ų129.369%0.6974%0.74SS**  trans80.1146.3143.3-58.4-36.4000125.6
535F32.5Very low31.7Very low178 Ų178131.6 Ų131.678%0.78174%0.743SS**  trans6678.3157.3-64.6-60000123.3
536N30.3Very low32Very low151 Ų151132.4 Ų132.481%0.80775%0.749SS**  26.7136113.1-70.8-23.5000121.2
537C29.6Very low32.2Very low127 Ų127127.5 Ų127.586%0.85874%0.744SS**  -158.6118120.9-142.60000113.9
538A34.1Very low33.4Very low92 Ų92129.2 Ų129.276%0.7675%0.753SS**  trans50.8145149.900000122.9
539D33.9Very low33.7Very low141 Ų141126.6 Ų126.675%0.75475%0.747SS**  cis-168.6170.6-27.7-148.4-22.8000110.2
540N35.1Very low33.6Very low127 Ų127130.6 Ų130.668%0.67976%0.759SS**  trans66.8105.2173.2-62.4-69.6000116.2
541S36.6Very low33.8Very low99 Ų99126.4 Ų126.469%0.69275%0.753SS**  78.5145.563.887.60000113.1
542M35.5Very low34Very low153 Ų153124.3 Ų124.375%0.75475%0.752SS**  cis-157.2142.427.3-141.7-166.6-154.900113.1
543I40.5Very low34.4Very low139 Ų139128.2 Ų128.271%0.71376%0.756SS**  trans47.6150.8154.556.6170.4000121.6
544N32.4Very low35.4Very low148 Ų148128.2 Ų128.279%0.79175%0.754SS**  cis-148.6174.510.5-138.2-2.7000114.1
545E32.9Very low35.6Very low166 Ų166129.2 Ų129.278%0.77676%0.76SS**  trans-86.4172-174.6-94.4-159.892.100117.6
546S34Very low35.7Very low113 Ų113124.6 Ų124.679%0.7975%0.749SS**  trans22.2157.5149.872.30000122.2
547G31.6Very low36.1Very low66 Ų66126 Ų12668%0.6875%0.751SS**  cis-170-160.116.200000112.5
548P56.1Low36.1Very low124 Ų124125 Ų12581%0.80575%0.745SS**  trans-114.7169.6-150.941-36.4000119.2
549S32.8Very low35.9Very low104 Ų104129.3 Ų129.373%0.72775%0.747SS**  trans104.4139.5143.179.90000121.5
550N32Very low35.8Very low153 Ų153128.3 Ų128.382%0.81875%0.746SS**  trans53.6121.6146.1-72.2-5.4000119.6
551S31.7Very low35.7Very low100 Ų100130 Ų13070%0.69975%0.75SS**  cis168.4172.848.156.20000113.7
552T32.6Very low35.4Very low132 Ų132131 Ų13181%0.8175%0.747SS**  trans69127.7150-21.80000122.4
553N34.9Very low35.3Very low152 Ų152127.7 Ų127.781%0.81374%0.739SS**  trans-64.9177.4159.2-97.3-19.9000112.1
554P52.7Low34.9Very low98 Ų98128.2 Ų128.264%0.63674%0.739SS**  cis-152-177.33244.4-23.3000119.4
555N36.4Very low34.9Very low151 Ų151130.8 Ų130.881%0.80774%0.739SS**  trans65.4149.8147.7-75.6-2.9000119.9
556S34.9Very low34.9Very low81 Ų81128.5 Ų128.557%0.56674%0.741SS**  cis-171.4166-2.145.90000111.9
557H37.5Very low34.7Very low181 Ų181126.8 Ų126.884%0.83874%0.741SS**  trans62.8150162.9-59.7-58.3000117.5
558S30.4Very low35Very low105 Ų105132.2 Ų132.273%0.73475%0.752SS**  cis-156.1-165.5-9.451.30000107.5
559F28.7Very low33.7Very low182 Ų182129.8 Ų129.880%0.79875%0.749SS**  cis-152.8-166.211.9-163.8-106000109.4
560V32.7Very low33.7Very low121 Ų121129.9 Ų129.973%0.73375%0.75SS**  trans-140.5148.6-177.2176.40000111.4
561Q32.7Very low33.6Very low163 Ų163129.1 Ų129.176%0.76274%0.743SS**  trans141.4151.6154.8-84-162.9-65.500112.4
562D30.1Very low33.6Very low119 Ų119132.1 Ų132.164%0.63675%0.747SS**  cis-171.1153-23.3-155.1-43.3000108.8
563S33Very low33.5Very low84 Ų84132.7 Ų132.759%0.58774%0.744SS**  trans61.5165.5155.1-73.30000119.1
564Q33.5Very low33.3Very low150 Ų150133.6 Ų133.670%0.70174%0.744SS**  cis-163.4160.5-18.7-113.2172.552.700112.1
565Y32.3Very low32.6Very low202 Ų202137.9 Ų137.979%0.79276%0.756SS**  trans66.2140.2151.6-93.2-79.2000124.7
566S32.1Very low32.5Very low118 Ų118139 Ų13983%0.82576%0.76SS**  trans71.1150.5154.6-59.80000119
567G29.4Very low32.3Very low76 Ų76139.6 Ų139.678%0.78477%0.765SS**  cis-166.4-171.62.900000114.1
568I37.7Very low32.1Very low181 Ų181138.7 Ų138.793%0.92877%0.766SS**  trans-82145.4-169-66.2162.1000113.2
569G29.4Very low32.4Very low72 Ų72137.5 Ų137.574%0.74276%0.758SS**  trans-147.7157.3166.900000111.8
570S33.2Very low32.7Very low107 Ų107137.8 Ų137.875%0.74876%0.759SS**  trans-145.1-177.4-173.5-161.20000112.3
571M30.4Very low33.7Very low136 Ų136136.7 Ų136.767%0.6775%0.754SS**  trans91.9108.3170.2-59.6-67.298.200119.5
572Q32Very low33.8Very low164 Ų164138.1 Ų138.177%0.76675%0.754SS**  60112.4117.6-69.2-177-700122.4
573N29.9Very low34Very low143 Ų143139.8 Ų139.877%0.76576%0.758SS**  90.8163.1110.8-157.635.6000120.7
574E30.7Very low34.5Very low172 Ų172144.6 Ų144.680%0.80477%0.769SS**  trans83.7122.5168.1-54.9-149.8110.100119.5
575Q37.8Very low34.8Very low188 Ų188146.5 Ų146.588%0.87978%0.775SS**  trans-73.2153.9162.1-58.3159.5-102.500109
576L33.7Very low35Very low173 Ų173144.2 Ų144.291%0.90677%0.771SS**  trans-147.6152.2138.4-112.8170.5000110.1
577S32.2Very low35.2Very low95 Ų95147.8 Ų147.866%0.66479%0.788SS**  trans-117146.7-17554.50000110.1
578D32Very low35.5Very low162 Ų162151.4 Ų151.487%0.86679%0.788SS**  trans-148.3166.8154.3-129.7-35000112.5
579S38.1Very low35.4Very low79 Ų79149.8 Ų149.855%0.55278%0.781SS**  trans-138.8174.3-154.3-66.20000116.2
580F34.7Very low35.7Very low188 Ų188154.2 Ų154.283%0.82578%0.783SS**  trans88.5166.2156.6-53.1-63.7000118.8
581P53.9Low35.9Very low98 Ų98156.9 Ų156.964%0.63679%0.785SS**  -150.3-162.3-63.449-32.3000115.8
582Y33.8Very low36.2Very low193 Ų193158.3 Ų158.376%0.75779%0.792SS**  trans70.2149.7158-89.7-122.3000118.2
583E34.6Very low36.5Very low154 Ų154157.9 Ų157.972%0.7279%0.794SS**  cis-155.1-166.9-15.4-141.7-174-179.700112.6
584F42.7Very low37Very low186 Ų186158.9 Ų158.982%0.81680%0.796SS**  trans-88.3163-173.8-104.1-108.2000115.1
585F40.1Very low37.5Very low189 Ų189157.9 Ų157.983%0.82980%0.796SS**  trans176.3153.6132.9-104.8-81.5000108.6
586Q35.8Very low37.4Very low154 Ų154155.4 Ų155.472%0.7279%0.789SS**  -154175-55.1-158.3-168.2-70.400108
587V37.7Very low37.8Very low194 Ų194153.8 Ų153.8100%1.17678%0.778SS**  trans-79.50154.6177.10000109.6

Retrieved 587 of 587 residues in 2231.9 ms (Link to these results)

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