A0A096M458_POEFO Loading...

Ferredoxin-fold anticodon binding domain containing 1

AlphaFold DB , UniProt , Accession A0A096M458, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.4Very low79.5Confident241 Ų24165.4 Ų65.4100%1.18738%0.377SS*.  0123.60-72.5-177.8160.100107.1
2S46.6Very low80.7Confident104 Ų10461.1 Ų61.173%0.72735%0.351SS*.PPolyproline II helixtrans-60.9138171.7-51.70000108.4
3P58.1Low81.4Confident102 Ų10258.2 Ų58.266%0.66234%0.343SS*.PPolyproline II helixtrans-59.9141.817823.5-31.2000110.2R5P3-R5 PolarHBondContact O-N 3.04Å
4S71.1Confident82.2Confident76 Ų7654.6 Ų54.653%0.53132%0.321SS..PPolyproline II helixtrans-54126.1170.1170.10000108.7G29S4-G29 WeakPolarHBondContact CB-O 3.42Å; S4-G29 PolarHBondContact OG-O 2.82Å
5R85.3Confident83.1Confident126 Ų12651 Ų5148%0.47530%0.3SS..PPolyproline II helixtrans-103.7135.6178.3-73.2-175.8170.9149.3-5.1110.8P3 S30 N31 D84P3-R5 PolarHBondContact O-N 3.04Å; R5-S30 CarbonylContact O-C 3.51Å; R5-S30 VanDerWaalsContact O-CA 3.24Å; R5-S30 WeakPolarHBondContact O-CA 3.5Å; R5-S30 WeakPolarHBondContact O-CB 3.29Å; R5-N31 PolarHBondContact O-N 3.03Å; R5-D84 VanDerWaalsContact CA-OD2 3.3Å; R5-D84 WeakPolarHBondContact CA-OD2 3.43Å; R5-D84 HydrophobicContact CB-CB 4.26Å; R5-D84 HydrophobicContact CG-CB 4.3Å
6S93.3Very high83.9Confident22 Ų2247.9 Ų47.915%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-85119.6171.7-174.90000109.6F83 D84 R85S6-F83 WeakPolarHBondContact OG-CD1 3.18Å; S6-D84 PolarHBondContact N-OD2 3.27Å; S6-D84 PolarHBondContact O-N 3.07Å; S6-R85 PolarHBondContact O-N 3.21Å; S6-R85 VanDerWaalsContact O-N 3.15Å
7V95.8Very high84.5Confident16 Ų1646.6 Ų46.610%0.09727%0.272CS..EExtended strand (participates in β ladder)trans-120.5124.4-175.5-174.50000110.4L9 N31 I32 T33 R85 V87V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.31Å; V7-N31 PolarHBondContact N-O 3.07Å; V7-I32 HydrophobicContact CB-CG1 4.47Å; V7-T33 PolarHBondContact O-N 3.4Å; V7-R85 CarbonylContact C-O 3.6Å; V7-R85 WeakPolarHBondContact CA-O 3.46Å; V7-R85 HydrophobicContact CG1-CB 4.3Å; V7-R85 HydrophobicContact CG1-CG 4.48Å; V7-R85 HydrophobicContact CG2-CB 4.28Å; V7-V87 HydrophobicContact CG1-CG2 4.04Å
8L97.8Very high85Confident0 Ų044 Ų440%026%0.257CS..EExtended strand (participates in β ladder)trans-104119.4171.2179.364.5000109.5V10 T33 T35 L72 L78 F83 R85 V86 V87 V116L8-V10 HydrophobicContact CD1-CG1 4.38Å; L8-V10 HydrophobicContact CD2-CG1 4.02Å; L8-V10 HydrophobicContact CG-CG1 3.82Å; L8-T33 CarbonylContact C-O 3.55Å; L8-T33 WeakPolarHBondContact CA-O 3.45Å; L8-T33 HydrophobicContact CD1-CG2 3.88Å; L8-T35 HydrophobicContact CD1-CG2 3.68Å; L8-L72 HydrophobicContact CD2-CD1 4.27Å; L8-L72 HydrophobicContact CD2-CD2 4.27Å; L8-L78 HydrophobicContact CD1-CD1 4.3Å; L8-L78 HydrophobicContact CD1-CD2 4.1Å; L8-L78 HydrophobicContact CD2-CD1 4.12Å; L8-F83 HydrophobicContact CB-CB 4.23Å; L8-F83 HydrophobicContact CB-CD1 3.59Å; L8-F83 HydrophobicContact CB-CD2 3.9Å; L8-F83 HydrophobicContact CB-CE1 3.85Å; L8-F83 HydrophobicContact CB-CE2 4.15Å; L8-F83 HydrophobicContact CB-CG 3.63Å; L8-F83 HydrophobicContact CB-CZ 4.12Å; L8-F83 HydrophobicContact CD1-CE1 4.44Å; L8-F83 HydrophobicContact CD1-CE2 4.45Å; L8-F83 HydrophobicContact CD1-CZ 4.17Å; L8-F83 HydrophobicContact CD2-CD2 3.99Å; L8-F83 HydrophobicContact CD2-CE2 3.94Å; L8-F83 HydrophobicContact CD2-CZ 4.46Å; L8-F83 HydrophobicContact CG-CD2 4.49Å; L8-F83 HydrophobicContact CG-CE2 4.42Å; L8-F83 HydrophobicContact CG-CZ 4.48Å; L8-R85 PolarHBondContact N-O 3.3Å; L8-V86 HydrophobicContact CB-CG2 4.36Å; L8-V86 HydrophobicContact CD2-CG1 4.2Å; L8-V86 HydrophobicContact CD2-CG2 4.41Å; L8-V86 HydrophobicContact CG-CG1 4.48Å; L8-V86 CarbonylContact O-C 3.6Å; L8-V86 WeakPolarHBondContact O-CA 3.45Å; L8-V87 PolarHBondContact O-N 3.04Å; L8-V116 HydrophobicContact CD2-CG2 4.07Å
9L97.8Very high85.4Confident3 Ų341.7 Ų41.72%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-104128.3170.4-60.1104.2000109.3V7 E12 F17 I32 T33 A34 T35 V87V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.31Å; L9-E12 HydrophobicContact CB-CG 4.29Å; L9-F17 HydrophobicContact CD2-CD1 3.33Å; L9-F17 HydrophobicContact CD2-CE1 3.47Å; L9-F17 VanDerWaalsContact CD2-CE1 3.47Å; L9-I32 HydrophobicContact CD1-CG2 3.47Å; L9-I32 VanDerWaalsContact CD1-CG2 3.47Å; L9-T33 PolarHBondContact N-O 3.19Å; L9-A34 CarbonylContact O-C 3.6Å; L9-T35 PolarHBondContact O-N 3.11Å; L9-T35 PolarHBondContact O-OG1 3.31Å; L9-V87 HydrophobicContact CD2-CB 4.25Å; L9-V87 HydrophobicContact CD2-CG1 4.42Å; L9-V87 HydrophobicContact CG-CB 4.19Å; L9-V87 HydrophobicContact CG-CG2 4.47Å
10V97.4Very high85.7Confident1 Ų139.7 Ų39.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-118146.9-176.8-55.30000112.1L8 T35 C69 L72 V86 V87 F88 F109L8-V10 HydrophobicContact CD1-CG1 4.38Å; L8-V10 HydrophobicContact CD2-CG1 4.02Å; L8-V10 HydrophobicContact CG-CG1 3.82Å; V10-T35 WeakPolarHBondContact CA-OG1 3.41Å; V10-C69 HydrophobicContact CB-CB 3.78Å; V10-C69 HydrophobicContact CG1-CB 4.3Å; V10-C69 HydrophobicContact CG2-CB 3.77Å; V10-L72 HydrophobicContact CG1-CD1 4.42Å; V10-L72 HydrophobicContact CG1-CD2 4.04Å; V10-V86 HydrophobicContact CG1-CG1 4.47Å; V10-V87 PolarHBondContact N-O 2.74Å; V10-F88 HydrophobicContact CG2-CB 3.68Å; V10-F88 HydrophobicContact CG2-CD1 4.1Å; V10-F88 HydrophobicContact CG2-CD2 3.93Å; V10-F88 HydrophobicContact CG2-CG 3.67Å; V10-F88 VanDerWaalsContact O-CD2 3.31Å; V10-F88 WeakPolarHBondContact O-CD2 3.44Å; V10-F109 HydrophobicContact CG2-CD2 4.2Å; V10-F109 HydrophobicContact CG2-CE2 3.62Å; V10-F109 HydrophobicContact CG2-CZ 4.34Å
11G94.6Very high85.9Confident28 Ų2839.5 Ų39.529%0.28923%0.231SC..SBendtrans71.230.5176.500000113.6T35G11-T35 PolarHBondContact N-O 3.48Å
12E93.9Very high88.3Confident14 Ų1428.4 Ų28.47%0.06518%0.177CC..  trans-60.5139.6176-70.7-76.896.300110.8L9 F15 S18 A34 T35 C36L9-E12 HydrophobicContact CB-CG 4.29Å; E12-F15 HydrophobicContact CB-CD1 3.69Å; E12-F15 HydrophobicContact CB-CE1 3.69Å; E12-F15 HydrophobicContact CB-CG 4.18Å; E12-F15 HydrophobicContact CB-CZ 4.16Å; E12-F15 HydrophobicContact CG-CD1 3.99Å; E12-F15 HydrophobicContact CG-CE1 4.18Å; E12-F15 WeakPolarHBondContact OE2-CA 3.36Å; E12-S18 WeakPolarHBondContact OE2-CB 3.44Å; E12-S18 PolarHBondContact OE2-N 3.38Å; E12-S18 PolarHBondContact OE2-OG 3.4Å; E12-A34 HydrophobicContact CG-CB 4.33Å; E12-T35 WeakPolarHBondContact CB-O 3.25Å; E12-T35 PolarHBondContact N-O 3.46Å; E12-C36 WeakPolarHBondContact O-CB 3.38Å
13G89.1Confident90.1Very high24 Ų2428.4 Ų28.425%0.24716%0.164CC..SBendtrans-87.8-88.4171.600000111
14N93.2Very high91.2Very high7 Ų729.1 Ų29.14%0.03716%0.162CC..SBendtrans-95.21317975.2-12.5000114.2S16 H46 D47 A49 N52N14-S16 PolarHBondContact O-N 2.94Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 2.85Å; N14-S16 VanDerWaalsContact OD1-N 3.12Å; N14-S16 PolarHBondContact OD1-OG 2.9Å; N14-H46 HydrophobicContact CB-CB 3.99Å; N14-D47 PolarHBondContact ND2-O 3.28Å; N14-A49 HydrophobicContact CB-CB 4.41Å; N14-A49 WeakPolarHBondContact O-CA 3.37Å; N14-N52 PolarHBondContact O-ND2 3.49Å
15F95.6Very high91.1Very high1 Ų127.8 Ų27.80%0.00415%0.148CC..SBendtrans59.812.2-180-60.5-91.3000116.1E12 F17 S18 S19 A34 C36 A43 N52 I53 I56 V63 F65E12-F15 HydrophobicContact CB-CD1 3.69Å; E12-F15 HydrophobicContact CB-CE1 3.69Å; E12-F15 HydrophobicContact CB-CG 4.18Å; E12-F15 HydrophobicContact CB-CZ 4.16Å; E12-F15 HydrophobicContact CG-CD1 3.99Å; E12-F15 HydrophobicContact CG-CE1 4.18Å; E12-F15 WeakPolarHBondContact OE2-CA 3.36Å; F15-F17 VanDerWaalsContact C-N 3.31Å; F15-F17 PolarHBondContact O-N 3.24Å; F15-S18 PolarHBondContact O-N 2.92Å; F15-S19 VanDerWaalsContact O-CB 3.3Å; F15-S19 WeakPolarHBondContact O-CB 3.41Å; F15-S19 PolarHBondContact O-N 3.22Å; F15-A34 HydrophobicContact CD1-CB 3.95Å; F15-A34 HydrophobicContact CE1-CB 4.15Å; F15-C36 HydrophobicContact CE2-CB 4.35Å; F15-C36 HydrophobicContact CZ-CB 3.75Å; F15-A43 HydrophobicContact CE2-CB 4.28Å; F15-N52 HydrophobicContact CB-CB 3.98Å; F15-I53 HydrophobicContact CB-CG1 4.21Å; F15-I53 HydrophobicContact CD1-CG1 4.41Å; F15-I53 HydrophobicContact CD2-CD1 3.82Å; F15-I53 HydrophobicContact CD2-CG1 3.73Å; F15-I53 HydrophobicContact CE2-CD1 3.93Å; F15-I53 HydrophobicContact CE2-CG1 4.19Å; F15-I53 HydrophobicContact CG-CD1 4.44Å; F15-I53 HydrophobicContact CG-CG1 3.85Å; F15-I56 HydrophobicContact CB-CD1 3.88Å; F15-I56 HydrophobicContact CD1-CD1 4.23Å; F15-I56 HydrophobicContact CG-CD1 4.48Å; F15-V63 HydrophobicContact CD1-CG1 4.3Å; F15-V63 HydrophobicContact CE1-CG1 3.67Å; F15-V63 HydrophobicContact CZ-CG1 3.94Å; F15-F65 HydrophobicContact CE2-CE1 4.38Å; F15-F65 HydrophobicContact CZ-CE1 4.23Å
16S94.9Very high90Very high2 Ų226 Ų261%0.01416%0.155CC..Hα-helixtrans-67.7-29.7-176.563.60000113.3N14 S20 N52 K175N14-S16 PolarHBondContact O-N 2.94Å; N14-S16 WeakPolarHBondContact OD1-CB 3.33Å; N14-S16 PolarHBondContact OD1-N 2.85Å; N14-S16 VanDerWaalsContact OD1-N 3.12Å; N14-S16 PolarHBondContact OD1-OG 2.9Å; S16-S20 WeakPolarHBondContact O-CB 3.43Å; S16-S20 PolarHBondContact O-N 3.49Å; S16-S20 PolarHBondContact O-OG 3.42Å; S16-N52 WeakPolarHBondContact CA-ND2 3.47Å; S16-K175 PolarHBondContact OG-N 3.48Å; S16-K175 PolarHBondContact OG-O 3.39Å; S16-K175 VanDerWaalsContact OG-O 3.11Å
17F94.1Very high88.1Confident25 Ų2534.3 Ų34.311%0.1119%0.192CC..Hα-helixtrans-67-56.9175.1-174.4-87.8000110L9 F15 S19 S20 V21 N89 F166 L171 Y174L9-F17 HydrophobicContact CD2-CD1 3.33Å; L9-F17 HydrophobicContact CD2-CE1 3.47Å; L9-F17 VanDerWaalsContact CD2-CE1 3.47Å; F15-F17 VanDerWaalsContact C-N 3.31Å; F15-F17 PolarHBondContact O-N 3.24Å; F17-S19 VanDerWaalsContact C-N 3.3Å; F17-S19 PolarHBondContact O-N 3.22Å; F17-S20 WeakPolarHBondContact O-CB 3.47Å; F17-S20 PolarHBondContact O-N 3.18Å; F17-V21 HydrophobicContact CD1-CG2 3.93Å; F17-V21 HydrophobicContact CE1-CG2 3.6Å; F17-V21 HydrophobicContact CZ-CG2 4.04Å; F17-V21 WeakPolarHBondContact O-CG2 3.23Å; F17-V21 PolarHBondContact O-N 3.07Å; F17-N89 WeakPolarHBondContact CD1-ND2 3.46Å; F17-N89 VanDerWaalsContact CE1-ND2 3.3Å; F17-N89 WeakPolarHBondContact CE1-ND2 3.32Å; F17-N89 WeakPolarHBondContact CE2-ND2 3.13Å; F17-N89 VanDerWaalsContact CZ-ND2 3.3Å; F17-N89 WeakPolarHBondContact CZ-ND2 3.32Å; F17-F166 HydrophobicContact CD2-CZ 4.17Å; F17-F166 AromaticContact CE2-CE2 3.85Å; F17-F166 HydrophobicContact CE2-CE2 3.85Å; F17-F166 AromaticContact CE2-CZ 3.78Å; F17-F166 HydrophobicContact CE2-CZ 3.78Å; F17-L171 HydrophobicContact CD2-CD1 3.58Å; F17-L171 HydrophobicContact CE2-CD1 3.3Å; F17-L171 HydrophobicContact CZ-CD1 4.17Å; F17-Y174 HydrophobicContact CB-CD2 3.61Å; F17-Y174 HydrophobicContact CB-CE2 3.73Å; F17-Y174 AromaticContact CD2-CD2 3.93Å; F17-Y174 HydrophobicContact CD2-CD2 3.93Å; F17-Y174 AromaticContact CD2-CE2 3.99Å; F17-Y174 HydrophobicContact CD2-CE2 3.99Å; F17-Y174 HydrophobicContact CD2-CG 4.26Å; F17-Y174 HydrophobicContact CG-CD2 4.27Å; F17-Y174 HydrophobicContact CG-CE2 4.34Å
18S93.8Very high86.4Confident0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-55.6-44178.6-60.50000112.4E12 F15 S20 V21 C22 A34 I56E12-S18 WeakPolarHBondContact OE2-CB 3.44Å; E12-S18 PolarHBondContact OE2-N 3.38Å; E12-S18 PolarHBondContact OE2-OG 3.4Å; F15-S18 PolarHBondContact O-N 2.92Å; S18-S20 PolarHBondContact O-N 3.05Å; S18-V21 PolarHBondContact O-N 2.79Å; S18-C22 PolarHBondContact O-N 3.47Å; S18-C22 PolarHBondContact O-SG 3.43Å; S18-C22 VanDerWaalsContact O-SG 3.36Å; S18-A34 WeakPolarHBondContact OG-CB 3.41Å; S18-I56 VanDerWaalsContact CB-CD1 3.48Å
19S93.6Very high84.8Confident0 Ų038.7 Ų38.70%023%0.231CC..Hα-helixtrans-59.4-43.2174.8172.80000112.5F15 F17 C22 K23 N52F15-S19 VanDerWaalsContact O-CB 3.3Å; F15-S19 WeakPolarHBondContact O-CB 3.41Å; F15-S19 PolarHBondContact O-N 3.22Å; F17-S19 VanDerWaalsContact C-N 3.3Å; F17-S19 PolarHBondContact O-N 3.22Å; S19-C22 PolarHBondContact O-N 3.21Å; S19-K23 WeakPolarHBondContact O-CG 3.13Å; S19-K23 PolarHBondContact O-N 3.12Å; S19-N52 PolarHBondContact OG-OD1 3.22Å
20S91.5Very high83.9Confident2 Ų240 Ų401%0.01424%0.241CC..Hα-helixtrans-66.2-40177.6-59.10000112.1S16 F17 S18 K23 L24 S173 Y174S16-S20 WeakPolarHBondContact O-CB 3.43Å; S16-S20 PolarHBondContact O-N 3.49Å; S16-S20 PolarHBondContact O-OG 3.42Å; F17-S20 WeakPolarHBondContact O-CB 3.47Å; F17-S20 PolarHBondContact O-N 3.18Å; S18-S20 PolarHBondContact O-N 3.05Å; S20-K23 PolarHBondContact O-N 3.15Å; S20-L24 PolarHBondContact O-N 3.48Å; S20-L24 VanDerWaalsContact O-N 3.11Å; S20-S173 WeakPolarHBondContact OG-CA 3.42Å; S20-S173 WeakPolarHBondContact OG-CB 3.42Å; S20-Y174 PolarHBondContact OG-N 3.43Å; S20-Y174 VanDerWaalsContact OG-N 3.11Å
21V89.6Confident83.5Confident35 Ų3543.2 Ų43.221%0.21226%0.258CS..Hα-helixtrans-64.4-45.6176.5179.10000110.7F17 S18 K23 L24 D25 I32 L171F17-V21 HydrophobicContact CD1-CG2 3.93Å; F17-V21 HydrophobicContact CE1-CG2 3.6Å; F17-V21 HydrophobicContact CZ-CG2 4.04Å; F17-V21 WeakPolarHBondContact O-CG2 3.23Å; F17-V21 PolarHBondContact O-N 3.07Å; S18-V21 PolarHBondContact O-N 2.79Å; V21-K23 PolarHBondContact O-N 3.07Å; V21-L24 PolarHBondContact O-N 2.88Å; V21-L24 VanDerWaalsContact O-N 3.13Å; V21-D25 WeakPolarHBondContact O-CB 3.36Å; V21-D25 PolarHBondContact O-N 2.89Å; V21-I32 HydrophobicContact CB-CD1 4.11Å; V21-I32 HydrophobicContact CG1-CD1 3.61Å; V21-L171 HydrophobicContact CG2-CD2 4.27Å
22C88.4Confident83.4Confident9 Ų942.1 Ų42.16%0.06125%0.245CC..Hα-helixtrans-54.8-39.8176-71.20000112.9S18 S19 S26S18-C22 PolarHBondContact O-N 3.47Å; S18-C22 PolarHBondContact O-SG 3.43Å; S18-C22 VanDerWaalsContact O-SG 3.36Å; S19-C22 PolarHBondContact O-N 3.21Å; C22-S26 PolarHBondContact O-N 2.99Å; C22-S26 PolarHBondContact O-OG 3.08Å
23K83.8Confident83.6Confident104 Ų10441.4 Ų41.445%0.45224%0.242SC..Hα-helixtrans-71.8-34.2179.4-69175.7-171.7-179.10113.2S19 S20 V21 S26 T55S19-K23 WeakPolarHBondContact O-CG 3.13Å; S19-K23 PolarHBondContact O-N 3.12Å; S20-K23 PolarHBondContact O-N 3.15Å; V21-K23 PolarHBondContact O-N 3.07Å; K23-S26 PolarHBondContact O-OG 2.73Å; K23-S26 VanDerWaalsContact O-OG 3.08Å; K23-T55 HydrophobicContact CD-CG2 4.41Å; K23-T55 VanDerWaalsContact CE-CG2 3.47Å; K23-T55 HydrophobicContact CG-CG2 4.08Å
24L79.9Confident84Confident117 Ų11740.3 Ų40.361%0.61323%0.23SC*.Hα-helixtrans-77.4-34.3178.9-153.481.6000111.3S20 V21S20-L24 PolarHBondContact O-N 3.48Å; S20-L24 VanDerWaalsContact O-N 3.11Å; V21-L24 PolarHBondContact O-N 2.88Å; V21-L24 VanDerWaalsContact O-N 3.13Å
25D70.8Confident84.2Confident47 Ų4740 Ų4025%0.25123%0.229SC..SBendtrans-98.517-170.3-145.135.8000113.3V21 E27 S28 S30V21-D25 WeakPolarHBondContact O-CB 3.36Å; V21-D25 PolarHBondContact O-N 2.89Å; D25-E27 PolarHBondContact O-N 3.16Å; D25-S28 PolarHBondContact O-N 3.47Å; D25-S28 WeakPolarHBondContact OD1-CB 3.43Å; D25-S28 PolarHBondContact OD1-OG 3.02Å; D25-S30 WeakPolarHBondContact OD2-CB 3.42Å; D25-S30 PolarHBondContact OD2-OG 3.22Å
26S61.2Low84.2Confident89 Ų8939.9 Ų39.962%0.62223%0.228SC*.THydrogen-bonded Turntrans-60.6-17.6-176.8-51.70000113.6C22 K23C22-S26 PolarHBondContact O-N 2.99Å; C22-S26 PolarHBondContact O-OG 3.08Å; K23-S26 PolarHBondContact O-OG 2.73Å; K23-S26 VanDerWaalsContact O-OG 3.08Å
27E53.9Low84.2Confident197 Ų19744.9 Ų44.992%0.92125%0.254SS*.THydrogen-bonded Turntrans-97.7-17.4177.4-61.3-173.7168.700113.7D25D25-E27 PolarHBondContact O-N 3.16Å
28S60.1Low84.2Confident56 Ų5646.5 Ų46.539%0.39226%0.262SS..THydrogen-bonded Turntrans-92.1-16.5-172.2-42.20000114.2D25 S30D25-S28 PolarHBondContact O-N 3.47Å; D25-S28 WeakPolarHBondContact OD1-CB 3.43Å; D25-S28 PolarHBondContact OD1-OG 3.02Å; S28-S30 VanDerWaalsContact C-N 3.35Å; S28-S30 PolarHBondContact O-N 2.73Å
29G64.8Low84.3Confident51 Ų5151.2 Ų51.253%0.52628%0.284SS..THydrogen-bonded Turntrans68.824.1178.200000115.1S4S4-G29 WeakPolarHBondContact CB-O 3.42Å; S4-G29 PolarHBondContact OG-O 2.82Å
30S77.6Confident84.4Confident32 Ų3256.2 Ų56.222%0.22431%0.307CS..  trans-66.9136.2176.9-59.10000111.8R5 D25 S28 I32R5-S30 CarbonylContact O-C 3.51Å; R5-S30 VanDerWaalsContact O-CA 3.24Å; R5-S30 WeakPolarHBondContact O-CA 3.5Å; R5-S30 WeakPolarHBondContact O-CB 3.29Å; D25-S30 WeakPolarHBondContact OD2-CB 3.42Å; D25-S30 PolarHBondContact OD2-OG 3.22Å; S28-S30 VanDerWaalsContact C-N 3.35Å; S28-S30 PolarHBondContact O-N 2.73Å; S30-I32 PolarHBondContact O-N 3.14Å
31N88.9Confident84.6Confident68 Ų6863.2 Ų63.236%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-90.8106.6177.8-174.6-5.3000110.1R5 V7R5-N31 PolarHBondContact O-N 3.03Å; V7-N31 PolarHBondContact N-O 3.07Å
32I93.4Very high84.7Confident4 Ų465.9 Ų65.92%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-94.2125.6-176.1-65.7-174.5000110.7V7 L9 V21 S30 G61 S62V7-I32 HydrophobicContact CB-CG1 4.47Å; L9-I32 HydrophobicContact CD1-CG2 3.47Å; L9-I32 VanDerWaalsContact CD1-CG2 3.47Å; V21-I32 HydrophobicContact CB-CD1 4.11Å; V21-I32 HydrophobicContact CG1-CD1 3.61Å; S30-I32 PolarHBondContact O-N 3.14Å; I32-G61 CarbonylContact O-C 3.6Å; I32-G61 WeakPolarHBondContact O-CA 3.48Å; I32-S62 PolarHBondContact O-N 2.81Å
33T97.1Very high84.9Confident0 Ų065.4 Ų65.40%035%0.347CS..EExtended strand (participates in β ladder)trans-115.3108.9167-58.40000108.5V7 L8 L9 T35 S62 L64 L78 R81V7-T33 PolarHBondContact O-N 3.4Å; L8-T33 CarbonylContact C-O 3.55Å; L8-T33 WeakPolarHBondContact CA-O 3.45Å; L8-T33 HydrophobicContact CD1-CG2 3.88Å; L9-T33 PolarHBondContact N-O 3.19Å; T33-T35 HydrophobicContact CG2-CG2 4.22Å; T33-S62 CarbonylContact C-O 3.36Å; T33-S62 WeakPolarHBondContact CA-O 3.49Å; T33-L64 HydrophobicContact CG2-CD1 3.8Å; T33-L64 HydrophobicContact CG2-CG 4.21Å; T33-L78 HydrophobicContact CG2-CD2 4.29Å; T33-R81 PolarHBondContact OG1-NH2 3.28Å
34A97.6Very high85.4Confident0 Ų063.9 Ų63.90%034%0.343CS..EExtended strand (participates in β ladder)trans-101.1133.6-18000000110.8L9 E12 F15 S18 I56 S62 V63 L64L9-A34 CarbonylContact O-C 3.6Å; E12-A34 HydrophobicContact CG-CB 4.33Å; F15-A34 HydrophobicContact CD1-CB 3.95Å; F15-A34 HydrophobicContact CE1-CB 4.15Å; S18-A34 WeakPolarHBondContact OG-CB 3.41Å; A34-I56 HydrophobicContact CB-CD1 4.32Å; A34-S62 PolarHBondContact N-O 3.41Å; A34-V63 CarbonylContact O-C 3.56Å; A34-V63 VanDerWaalsContact O-CA 3.3Å; A34-V63 WeakPolarHBondContact O-CA 3.09Å; A34-L64 PolarHBondContact O-N 2.98Å
35T97.8Very high86Confident0 Ų066.6 Ų66.60%035%0.345CS..EExtended strand (participates in β ladder)trans-133.1148.3-174.784.50000113.2L8 L9 V10 G11 E12 T33 L64 V67L8-T35 HydrophobicContact CD1-CG2 3.68Å; L9-T35 PolarHBondContact O-N 3.11Å; L9-T35 PolarHBondContact O-OG1 3.31Å; V10-T35 WeakPolarHBondContact CA-OG1 3.41Å; G11-T35 PolarHBondContact N-O 3.48Å; E12-T35 WeakPolarHBondContact CB-O 3.25Å; E12-T35 PolarHBondContact N-O 3.46Å; T33-T35 HydrophobicContact CG2-CG2 4.22Å; T35-L64 VanDerWaalsContact CA-O 3.26Å; T35-L64 WeakPolarHBondContact CA-O 3.46Å; T35-L64 HydrophobicContact CG2-CB 4.02Å; T35-L64 HydrophobicContact CG2-CD1 4.27Å; T35-L64 HydrophobicContact CG2-CG 4.49Å; T35-V67 HydrophobicContact CG2-CB 4.33Å; T35-V67 HydrophobicContact CG2-CG1 4.31Å; T35-V67 HydrophobicContact CG2-CG2 4.12Å
36C95.9Very high86.9Confident0 Ų066.4 Ų66.40%034%0.343CS..  trans-133.3159.9170.272.50000111.1E12 F15 Q38 L64 F65 E66 V67E12-C36 WeakPolarHBondContact O-CB 3.38Å; F15-C36 HydrophobicContact CE2-CB 4.35Å; F15-C36 HydrophobicContact CZ-CB 3.75Å; C36-Q38 PolarHBondContact SG-O 3.07Å; C36-L64 PolarHBondContact N-O 3.07Å; C36-F65 CarbonylContact O-C 3.5Å; C36-F65 VanDerWaalsContact SG-CD1 3.54Å; C36-E66 PolarHBondContact O-N 3.23Å; C36-V67 PolarHBondContact O-N 2.96Å
37L94.9Very high88.3Confident107 Ų10766.8 Ų66.856%0.5634%0.338SS*.SBendtrans-77.2-27.9178.1-179.862.5000112.3E66 D68L37-E66 WeakPolarHBondContact O-CA 3.19Å; L37-D68 HydrophobicContact CD1-CB 4.03Å
38Q93.9Very high90.1Very high59 Ų5959 Ų5928%0.27631%0.311SS..SBendtrans-71.1153.9-175.1-6579.30.700111.9C36 E42 A43 E66C36-Q38 PolarHBondContact SG-O 3.07Å; Q38-E42 HydrophobicContact CB-CB 4.12Å; Q38-A43 HydrophobicContact CB-CB 4.4Å; Q38-E66 PolarHBondContact O-N 3.14Å
39H95.6Very high91.8Very high99 Ų9956.4 Ų56.446%0.45829%0.293SS..  trans-62.3153.2165.1-68.1-76.4000110.7E41 E42 A43 E66H39-E41 VanDerWaalsContact C-N 3.28Å; H39-E41 PolarHBondContact O-N 3.13Å; H39-E42 PolarHBondContact O-N 3.47Å; H39-A43 PolarHBondContact O-N 3.45Å; H39-E66 IonicContact CE1-OE1 3.07Å; H39-E66 PolarHBondContact CE1-OE1 3.08Å; H39-E66 IonicContact CE1-OE2 2.88Å; H39-E66 IonicContact CG-OE2 2.91Å; H39-E66 IonicContact ND1-OE1 3.56Å; H39-E66 PolarHBondContact ND1-OE1 2.82Å; H39-E66 IonicContact ND1-OE2 3.91Å; H39-E66 PolarHBondContact ND1-OE2 3.36Å
40Q96.1Very high93.3Very high105 Ų10556.8 Ų56.849%0.49129%0.291SS..Hα-helixtrans-52.1-43.8-178.9-179.5175.1-1000113.3E42 A43 L44 F65Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 2.75Å; Q40-A43 PolarHBondContact O-N 2.88Å; Q40-L44 HydrophobicContact CG-CD1 3.85Å; Q40-L44 HydrophobicContact CG-CG 4.41Å; Q40-L44 WeakPolarHBondContact O-CB 3.46Å; Q40-L44 VanDerWaalsContact O-CG 3.24Å; Q40-L44 WeakPolarHBondContact O-CG 3.27Å; Q40-L44 PolarHBondContact O-N 2.81Å; Q40-F65 HydrophobicContact CB-CD1 4.05Å; Q40-F65 HydrophobicContact CB-CD2 3.79Å; Q40-F65 HydrophobicContact CB-CE1 4.22Å; Q40-F65 HydrophobicContact CB-CE2 3.97Å; Q40-F65 HydrophobicContact CB-CG 3.84Å; Q40-F65 HydrophobicContact CB-CZ 4.18Å; Q40-F65 HydrophobicContact CG-CD2 4.08Å; Q40-F65 HydrophobicContact CG-CE1 4.19Å; Q40-F65 HydrophobicContact CG-CE2 3.71Å; Q40-F65 HydrophobicContact CG-CG 4.47Å; Q40-F65 HydrophobicContact CG-CZ 3.78Å
41E95.1Very high94.2Very high148 Ų14858.3 Ų58.369%0.69231%0.305SS*.Hα-helixtrans-63.6-35.8-179.9-64.6-176-17900113H39 R45H39-E41 VanDerWaalsContact C-N 3.28Å; H39-E41 PolarHBondContact O-N 3.13Å; E41-R45 WeakPolarHBondContact O-CG 3.25Å
42E92.3Very high94.5Very high91 Ų9156 Ų5643%0.42529%0.293SS..Hα-helixtrans-75.3-43.7177.9-67.9-172.3155.100111.2Q38 H39 Q40 L44 R45Q38-E42 HydrophobicContact CB-CB 4.12Å; H39-E42 PolarHBondContact O-N 3.47Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E42 PolarHBondContact O-N 2.75Å; E42-L44 VanDerWaalsContact C-N 3.25Å; E42-L44 PolarHBondContact O-N 3.04Å; E42-R45 WeakPolarHBondContact O-CB 3.49Å; E42-R45 PolarHBondContact O-N 3.08Å
43A92.1Very high94.7Very high0 Ų056.3 Ų56.30%029%0.294CS..Hα-helixtrans-58.1-39177.500000112F15 Q38 H39 Q40 R45 H46 A49 F65F15-A43 HydrophobicContact CE2-CB 4.28Å; Q38-A43 HydrophobicContact CB-CB 4.4Å; H39-A43 PolarHBondContact O-N 3.45Å; Q40-A43 PolarHBondContact O-N 2.88Å; A43-R45 VanDerWaalsContact C-N 3.25Å; A43-R45 PolarHBondContact O-N 3.49Å; A43-H46 WeakPolarHBondContact O-CB 3.35Å; A43-H46 PolarHBondContact O-CD2 3.4Å; A43-H46 PolarHBondContact O-N 3.32Å; A43-A49 VanDerWaalsContact O-CB 3.29Å; A43-A49 WeakPolarHBondContact O-CB 3.04Å; A43-F65 HydrophobicContact CB-CD1 3.9Å; A43-F65 HydrophobicContact CB-CE1 3.69Å
44L94.5Very high94.6Very high71 Ų7160.8 Ų60.837%0.37232%0.316SS..THydrogen-bonded Turntrans-71.5-13.2178.3-70.6171.5000114.3Q40 E42 H46 A50 I53Q40-L44 HydrophobicContact CG-CD1 3.85Å; Q40-L44 HydrophobicContact CG-CG 4.41Å; Q40-L44 WeakPolarHBondContact O-CB 3.46Å; Q40-L44 VanDerWaalsContact O-CG 3.24Å; Q40-L44 WeakPolarHBondContact O-CG 3.27Å; Q40-L44 PolarHBondContact O-N 2.81Å; E42-L44 VanDerWaalsContact C-N 3.25Å; E42-L44 PolarHBondContact O-N 3.04Å; L44-H46 VanDerWaalsContact C-N 3.27Å; L44-A50 HydrophobicContact CD2-CB 3.87Å; L44-I53 HydrophobicContact CD2-CD1 3.83Å
45R92.3Very high94.5Very high175 Ų17562.3 Ų62.366%0.6633%0.325SS*.THydrogen-bonded Turntrans-73.8-21.5173.9-67171.9-169.4164.94.6112.4E41 E42 A43E41-R45 WeakPolarHBondContact O-CG 3.25Å; E42-R45 WeakPolarHBondContact O-CB 3.49Å; E42-R45 PolarHBondContact O-N 3.08Å; A43-R45 VanDerWaalsContact C-N 3.25Å; A43-R45 PolarHBondContact O-N 3.49Å
46H89.8Confident94.3Very high42 Ų4262.3 Ų62.319%0.19433%0.325CS..SBendtrans-66.8136.5177.9-70-61000111.3N14 A43 L44 G48 A49 D183N14-H46 HydrophobicContact CB-CB 3.99Å; A43-H46 WeakPolarHBondContact O-CB 3.35Å; A43-H46 PolarHBondContact O-CD2 3.4Å; A43-H46 PolarHBondContact O-N 3.32Å; L44-H46 VanDerWaalsContact C-N 3.27Å; H46-G48 PolarHBondContact O-N 2.84Å; H46-A49 HydrophobicContact CB-CB 3.99Å; H46-A49 VanDerWaalsContact O-CB 3.25Å; H46-A49 WeakPolarHBondContact O-CB 3.37Å; H46-A49 PolarHBondContact O-N 3Å; H46-D183 IonicContact CE1-OD1 2.64Å; H46-D183 IonicContact CG-OD1 3.75Å; H46-D183 IonicContact ND1-OD1 3.62Å; H46-D183 PolarHBondContact ND1-OD1 3.21Å; H46-D183 IonicContact ND1-OD2 3.99Å
47D90.6Very high94.2Very high97 Ų9767 Ų6752%0.51935%0.345SS..THydrogen-bonded Turntrans-55.8122.6179.9179.442.6000112.2N14 A49 K175N14-D47 PolarHBondContact ND2-O 3.28Å; D47-A49 VanDerWaalsContact C-N 3.29Å; D47-A49 PolarHBondContact O-N 3.09Å; D47-K175 IonicContact OD2-NZ 2.73Å; D47-K175 PolarHBondContact OD2-NZ 3.5Å
48G92.8Very high94.1Very high35 Ų3567.5 Ų67.536%0.36135%0.348SS..THydrogen-bonded Turntrans78.5-4.7-178.900000116.1H46 A50 A51 N52H46-G48 PolarHBondContact O-N 2.84Å; G48-A50 PolarHBondContact O-N 3.01Å; G48-A51 PolarHBondContact O-N 2.8Å; G48-N52 PolarHBondContact O-N 2.75Å; G48-N52 PolarHBondContact O-ND2 3.48Å
49A94.8Very high93.9Very high1 Ų167.6 Ų67.61%0.00836%0.355CS..Hα-helixtrans-60.5-44.2-172.500000113.5N14 A43 H46 D47 A51 N52 I53N14-A49 HydrophobicContact CB-CB 4.41Å; N14-A49 WeakPolarHBondContact O-CA 3.37Å; A43-A49 VanDerWaalsContact O-CB 3.29Å; A43-A49 WeakPolarHBondContact O-CB 3.04Å; H46-A49 HydrophobicContact CB-CB 3.99Å; H46-A49 VanDerWaalsContact O-CB 3.25Å; H46-A49 WeakPolarHBondContact O-CB 3.37Å; H46-A49 PolarHBondContact O-N 3Å; D47-A49 VanDerWaalsContact C-N 3.29Å; D47-A49 PolarHBondContact O-N 3.09Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.91Å; A49-N52 PolarHBondContact O-N 2.84Å; A49-I53 WeakPolarHBondContact O-CB 3.31Å; A49-I53 WeakPolarHBondContact O-CD1 3.42Å; A49-I53 VanDerWaalsContact O-CG1 3.23Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 2.89Å
50A96.3Very high93.7Very high59 Ų5965.7 Ų65.749%0.48836%0.363SS..Hα-helixtrans-58.6-44.3179.700000112.7L44 G48 Q54L44-A50 HydrophobicContact CD2-CB 3.87Å; G48-A50 PolarHBondContact O-N 3.01Å; A50-Q54 PolarHBondContact O-N 2.84Å
51A96.1Very high93.5Very high63 Ų6361.2 Ų61.252%0.52135%0.345SS..Hα-helixtrans-68.7-39.2178.500000112.1G48 A49 Q54 T55G48-A51 PolarHBondContact O-N 2.8Å; A49-A51 VanDerWaalsContact C-N 3.35Å; A49-A51 PolarHBondContact O-N 2.91Å; A51-Q54 PolarHBondContact O-N 2.78Å; A51-T55 PolarHBondContact O-N 3.01Å; A51-T55 PolarHBondContact O-OG1 3.01Å
52N96.3Very high93.5Very high21 Ų2156.5 Ų56.511%0.11233%0.328CS..Hα-helixtrans-65.2-45176.2-70.6-29.7000111.8N14 F15 S16 S19 G48 A49 Q54 T55 I56N14-N52 PolarHBondContact O-ND2 3.49Å; F15-N52 HydrophobicContact CB-CB 3.98Å; S16-N52 WeakPolarHBondContact CA-ND2 3.47Å; S19-N52 PolarHBondContact OG-OD1 3.22Å; G48-N52 PolarHBondContact O-N 2.75Å; G48-N52 PolarHBondContact O-ND2 3.48Å; A49-N52 PolarHBondContact O-N 2.84Å; N52-Q54 VanDerWaalsContact C-N 3.31Å; N52-Q54 PolarHBondContact O-N 2.78Å; N52-T55 WeakPolarHBondContact O-CB 3.35Å; N52-T55 PolarHBondContact O-N 2.92Å; N52-I56 VanDerWaalsContact O-CG1 3.32Å; N52-I56 WeakPolarHBondContact O-CG1 3.38Å; N52-I56 PolarHBondContact O-N 2.94Å
53I96.6Very high93.8Very high9 Ų953 Ų535%0.04631%0.313CS..Hα-helixtrans-59.8-43.4175.8-71.3163.4000110.7F15 L44 A49 I56 K57 V63 F65F15-I53 HydrophobicContact CB-CG1 4.21Å; F15-I53 HydrophobicContact CD1-CG1 4.41Å; F15-I53 HydrophobicContact CD2-CD1 3.82Å; F15-I53 HydrophobicContact CD2-CG1 3.73Å; F15-I53 HydrophobicContact CE2-CD1 3.93Å; F15-I53 HydrophobicContact CE2-CG1 4.19Å; F15-I53 HydrophobicContact CG-CD1 4.44Å; F15-I53 HydrophobicContact CG-CG1 3.85Å; L44-I53 HydrophobicContact CD2-CD1 3.83Å; A49-I53 WeakPolarHBondContact O-CB 3.31Å; A49-I53 WeakPolarHBondContact O-CD1 3.42Å; A49-I53 VanDerWaalsContact O-CG1 3.23Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 2.89Å; I53-I56 PolarHBondContact O-N 2.76Å; I53-K57 HydrophobicContact CG2-CD 4.31Å; I53-K57 WeakPolarHBondContact O-CG 3.4Å; I53-K57 PolarHBondContact O-N 3.5Å; I53-K57 VanDerWaalsContact O-N 3.1Å; I53-V63 HydrophobicContact CG1-CG1 4.29Å; I53-V63 HydrophobicContact CG2-CB 4.37Å; I53-V63 HydrophobicContact CG2-CG1 4.39Å; I53-V63 HydrophobicContact CG2-CG2 4.1Å; I53-F65 HydrophobicContact CD1-CE1 4.23Å; I53-F65 HydrophobicContact CD1-CZ 4.04Å
54Q96.1Very high94.1Very high95 Ų9554.2 Ų54.244%0.44432%0.32SS..Hα-helixtrans-62.8-44.6177.5-169.659.24600111.3A50 A51 N52 I56 K57 D58A50-Q54 PolarHBondContact O-N 2.84Å; A51-Q54 PolarHBondContact O-N 2.78Å; N52-Q54 VanDerWaalsContact C-N 3.31Å; N52-Q54 PolarHBondContact O-N 2.78Å; Q54-I56 VanDerWaalsContact C-N 3.32Å; Q54-I56 PolarHBondContact O-N 3.41Å; Q54-K57 PolarHBondContact O-N 3.06Å; Q54-K57 VanDerWaalsContact O-N 3.16Å; Q54-D58 PolarHBondContact NE2-OD1 3.43Å; Q54-D58 WeakPolarHBondContact O-CB 3.49Å; Q54-D58 PolarHBondContact O-N 3.28Å
55T94.3Very high94.2Very high32 Ų3252.8 Ų52.820%0.19631%0.31CS..Hα-helixtrans-56.1-46.6175.6-54.80000111.3K23 A51 N52 K57 D58 S59K23-T55 HydrophobicContact CD-CG2 4.41Å; K23-T55 VanDerWaalsContact CE-CG2 3.47Å; K23-T55 HydrophobicContact CG-CG2 4.08Å; A51-T55 PolarHBondContact O-N 3.01Å; A51-T55 PolarHBondContact O-OG1 3.01Å; N52-T55 WeakPolarHBondContact O-CB 3.35Å; N52-T55 PolarHBondContact O-N 2.92Å; T55-K57 VanDerWaalsContact C-N 3.31Å; T55-K57 PolarHBondContact O-N 2.9Å; T55-D58 PolarHBondContact O-N 3.28Å; T55-S59 PolarHBondContact O-N 3.42Å; T55-S59 PolarHBondContact O-OG 2.82Å; T55-S59 VanDerWaalsContact O-OG 3.14Å
56I94.2Very high94.4Very high0 Ų050.1 Ų50.10%031%0.305CS..Hα-helixtrans-59.3-45.1179.7-65.9160.4000110.6F15 S18 A34 N52 I53 Q54 S59 G60 G61 V63F15-I56 HydrophobicContact CB-CD1 3.88Å; F15-I56 HydrophobicContact CD1-CD1 4.23Å; F15-I56 HydrophobicContact CG-CD1 4.48Å; S18-I56 VanDerWaalsContact CB-CD1 3.48Å; A34-I56 HydrophobicContact CB-CD1 4.32Å; N52-I56 VanDerWaalsContact O-CG1 3.32Å; N52-I56 WeakPolarHBondContact O-CG1 3.38Å; N52-I56 PolarHBondContact O-N 2.94Å; I53-I56 PolarHBondContact O-N 2.76Å; Q54-I56 VanDerWaalsContact C-N 3.32Å; Q54-I56 PolarHBondContact O-N 3.41Å; I56-S59 PolarHBondContact O-N 2.82Å; I56-G60 PolarHBondContact O-N 2.72Å; I56-G61 VanDerWaalsContact O-CA 3.31Å; I56-G61 WeakPolarHBondContact O-CA 3.5Å; I56-G61 PolarHBondContact O-N 2.86Å; I56-V63 HydrophobicContact CB-CG2 4.14Å; I56-V63 HydrophobicContact CD1-CG2 4.22Å; I56-V63 HydrophobicContact CG2-CG2 3.83Å
57K94.5Very high94.8Very high98 Ų9848.4 Ų48.443%0.42630%0.298SS..Hα-helixtrans-66-42.1178.6-70.4178.5178.5-177.40112.5I53 Q54 T55 S59 G60I53-K57 HydrophobicContact CG2-CD 4.31Å; I53-K57 WeakPolarHBondContact O-CG 3.4Å; I53-K57 PolarHBondContact O-N 3.5Å; I53-K57 VanDerWaalsContact O-N 3.1Å; Q54-K57 PolarHBondContact O-N 3.06Å; Q54-K57 VanDerWaalsContact O-N 3.16Å; T55-K57 VanDerWaalsContact C-N 3.31Å; T55-K57 PolarHBondContact O-N 2.9Å; K57-S59 PolarHBondContact O-N 3.44Å; K57-G60 PolarHBondContact O-N 3.03Å
58D92.8Very high95Very high117 Ų11746.4 Ų46.463%0.62629%0.287SS*.Hα-helixtrans-64.8-30.8178.6-66.5-17.6000111.6Q54 T55 G60Q54-D58 PolarHBondContact NE2-OD1 3.43Å; Q54-D58 WeakPolarHBondContact O-CB 3.49Å; Q54-D58 PolarHBondContact O-N 3.28Å; T55-D58 PolarHBondContact O-N 3.28Å; D58-G60 PolarHBondContact O-N 2.87Å
59S89.9Confident95.2Very high61 Ų6145.2 Ų45.243%0.42727%0.273SS..THydrogen-bonded Turntrans-79.95.8171.6-58.10000114.1T55 I56 K57T55-S59 PolarHBondContact O-N 3.42Å; T55-S59 PolarHBondContact O-OG 2.82Å; T55-S59 VanDerWaalsContact O-OG 3.14Å; I56-S59 PolarHBondContact O-N 2.82Å; K57-S59 PolarHBondContact O-N 3.44Å
60G90.6Very high95.4Very high59 Ų5946.9 Ų46.961%0.60828%0.283SS*.THydrogen-bonded Turntrans82.95.9179.900000115.1I56 K57 D58I56-G60 PolarHBondContact O-N 2.72Å; K57-G60 PolarHBondContact O-N 3.03Å; D58-G60 PolarHBondContact O-N 2.87Å
61G92.6Very high95.4Very high11 Ų1148.7 Ų48.711%0.11328%0.28CS..  trans-77.9162.1174.800000113.2I32 I56I32-G61 CarbonylContact O-C 3.6Å; I32-G61 WeakPolarHBondContact O-CA 3.48Å; I56-G61 VanDerWaalsContact O-CA 3.31Å; I56-G61 WeakPolarHBondContact O-CA 3.5Å; I56-G61 PolarHBondContact O-N 2.86Å
62S95.3Very high95.4Very high50 Ų5045.7 Ų45.735%0.3526%0.256SS..EExtended strand (participates in β ladder)trans-107.6143.7176.9-64.50000111.2I32 T33 A34I32-S62 PolarHBondContact O-N 2.81Å; T33-S62 CarbonylContact C-O 3.36Å; T33-S62 WeakPolarHBondContact CA-O 3.49Å; A34-S62 PolarHBondContact N-O 3.41Å
63V97.7Very high95.3Very high18 Ų1845.7 Ų45.711%0.10926%0.26CS..EExtended strand (participates in β ladder)trans-121.4125.2172.3178.50000109.1F15 A34 I53 I56 F65F15-V63 HydrophobicContact CD1-CG1 4.3Å; F15-V63 HydrophobicContact CE1-CG1 3.67Å; F15-V63 HydrophobicContact CZ-CG1 3.94Å; A34-V63 CarbonylContact O-C 3.56Å; A34-V63 VanDerWaalsContact O-CA 3.3Å; A34-V63 WeakPolarHBondContact O-CA 3.09Å; I53-V63 HydrophobicContact CG1-CG1 4.29Å; I53-V63 HydrophobicContact CG2-CB 4.37Å; I53-V63 HydrophobicContact CG2-CG1 4.39Å; I53-V63 HydrophobicContact CG2-CG2 4.1Å; I56-V63 HydrophobicContact CB-CG2 4.14Å; I56-V63 HydrophobicContact CD1-CG2 4.22Å; I56-V63 HydrophobicContact CG2-CG2 3.83Å; V63-F65 HydrophobicContact CG1-CE1 4.18Å; V63-F65 HydrophobicContact CG1-CE2 4.05Å; V63-F65 HydrophobicContact CG1-CZ 3.73Å
64L97.7Very high95.2Very high25 Ų2552.2 Ų52.213%0.13129%0.291CS..EExtended strand (participates in β ladder)trans-118.8136178.8-54.9176.1000110.1T33 A34 T35 C36 V67 F77 L78T33-L64 HydrophobicContact CG2-CD1 3.8Å; T33-L64 HydrophobicContact CG2-CG 4.21Å; A34-L64 PolarHBondContact O-N 2.98Å; T35-L64 VanDerWaalsContact CA-O 3.26Å; T35-L64 WeakPolarHBondContact CA-O 3.46Å; T35-L64 HydrophobicContact CG2-CB 4.02Å; T35-L64 HydrophobicContact CG2-CD1 4.27Å; T35-L64 HydrophobicContact CG2-CG 4.49Å; C36-L64 PolarHBondContact N-O 3.07Å; L64-V67 HydrophobicContact CB-CG2 3.72Å; L64-F77 HydrophobicContact CD1-CB 3.82Å; L64-F77 HydrophobicContact CD2-CB 4.18Å; L64-F77 HydrophobicContact CD2-CD1 4.46Å; L64-F77 HydrophobicContact CD2-CD2 4.43Å; L64-F77 HydrophobicContact CD2-CG 4.12Å; L64-L78 HydrophobicContact CD1-CD2 3.87Å; L64-L78 HydrophobicContact CD1-CG 4.42Å
65F97.5Very high95.1Very high40 Ų4048.7 Ų48.718%0.17528%0.276CS..SBendtrans-103.6164.2176.3-57.8-80.8000109.8F15 C36 Q40 A43 I53 V63 V67F15-F65 HydrophobicContact CE2-CE1 4.38Å; F15-F65 HydrophobicContact CZ-CE1 4.23Å; C36-F65 CarbonylContact O-C 3.5Å; C36-F65 VanDerWaalsContact SG-CD1 3.54Å; Q40-F65 HydrophobicContact CB-CD1 4.05Å; Q40-F65 HydrophobicContact CB-CD2 3.79Å; Q40-F65 HydrophobicContact CB-CE1 4.22Å; Q40-F65 HydrophobicContact CB-CE2 3.97Å; Q40-F65 HydrophobicContact CB-CG 3.84Å; Q40-F65 HydrophobicContact CB-CZ 4.18Å; Q40-F65 HydrophobicContact CG-CD2 4.08Å; Q40-F65 HydrophobicContact CG-CE1 4.19Å; Q40-F65 HydrophobicContact CG-CE2 3.71Å; Q40-F65 HydrophobicContact CG-CG 4.47Å; Q40-F65 HydrophobicContact CG-CZ 3.78Å; A43-F65 HydrophobicContact CB-CD1 3.9Å; A43-F65 HydrophobicContact CB-CE1 3.69Å; I53-F65 HydrophobicContact CD1-CE1 4.23Å; I53-F65 HydrophobicContact CD1-CZ 4.04Å; V63-F65 HydrophobicContact CG1-CE1 4.18Å; V63-F65 HydrophobicContact CG1-CE2 4.05Å; V63-F65 HydrophobicContact CG1-CZ 3.73Å; F65-V67 PolarHBondContact O-N 3.15Å
66E96.6Very high95.1Very high120 Ų12051.2 Ų51.256%0.56130%0.3SS*.SBendtrans58.732.6176.2-56173.665.600113.9C36 L37 Q38 H39C36-E66 PolarHBondContact O-N 3.23Å; L37-E66 WeakPolarHBondContact O-CA 3.19Å; Q38-E66 PolarHBondContact O-N 3.14Å; H39-E66 IonicContact CE1-OE1 3.07Å; H39-E66 PolarHBondContact CE1-OE1 3.08Å; H39-E66 IonicContact CE1-OE2 2.88Å; H39-E66 IonicContact CG-OE2 2.91Å; H39-E66 IonicContact ND1-OE1 3.56Å; H39-E66 PolarHBondContact ND1-OE1 2.82Å; H39-E66 IonicContact ND1-OE2 3.91Å; H39-E66 PolarHBondContact ND1-OE2 3.36Å
67V97.1Very high95Very high5 Ų558.3 Ų58.33%0.0333%0.332CS..  trans-96.5110.5177.3-177.30000109.4T35 C36 L64 F65 C69 L72 L78T35-V67 HydrophobicContact CG2-CB 4.33Å; T35-V67 HydrophobicContact CG2-CG1 4.31Å; T35-V67 HydrophobicContact CG2-CG2 4.12Å; C36-V67 PolarHBondContact O-N 2.96Å; L64-V67 HydrophobicContact CB-CG2 3.72Å; F65-V67 PolarHBondContact O-N 3.15Å; V67-C69 PolarHBondContact O-N 3.5Å; V67-L72 HydrophobicContact CG1-CD2 3.83Å; V67-L78 HydrophobicContact CG1-CD1 4.21Å
68D96.4Very high95Very high55 Ų5553.7 Ų53.729%0.29431%0.311SS..  trans-79.1113.2169.7-173.4-13.6000109.9L37 T70 K71 L72L37-D68 HydrophobicContact CD1-CB 4.03Å; D68-T70 PolarHBondContact O-N 3.03Å; D68-T70 VanDerWaalsContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CB 3.43Å; D68-T70 PolarHBondContact OD1-N 2.82Å; D68-T70 PolarHBondContact OD1-OG1 3.15Å; D68-T70 PolarHBondContact OD2-OG1 3.14Å; D68-K71 HydrophobicContact CB-CB 4.35Å; D68-K71 CarbonylContact O-C 3.54Å; D68-K71 PolarHBondContact O-N 3.24Å; D68-L72 PolarHBondContact O-N 3.17Å
69C96.9Very high94.9Very high11 Ų1155.7 Ų55.77%0.07432%0.315CS..THydrogen-bonded Turntrans-69-9.6-179.369.50000114V10 V67 K71 L72 F88 F109V10-C69 HydrophobicContact CB-CB 3.78Å; V10-C69 HydrophobicContact CG1-CB 4.3Å; V10-C69 HydrophobicContact CG2-CB 3.77Å; V67-C69 PolarHBondContact O-N 3.5Å; C69-K71 VanDerWaalsContact C-N 3.3Å; C69-L72 HydrophobicContact CB-CD2 4.48Å; C69-F88 WeakPolarHBondContact SG-CE1 3.25Å; C69-F109 HydrophobicContact CB-CD2 4.04Å
70T97.3Very high94.8Very high36 Ų3656.9 Ų56.922%0.22134%0.336CS..THydrogen-bonded Turntrans-87.3-1.2170.970.50000113D68 L105 N108 S112D68-T70 PolarHBondContact O-N 3.03Å; D68-T70 VanDerWaalsContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CB 3.43Å; D68-T70 PolarHBondContact OD1-N 2.82Å; D68-T70 PolarHBondContact OD1-OG1 3.15Å; D68-T70 PolarHBondContact OD2-OG1 3.14Å; T70-L105 HydrophobicContact CG2-CD1 3.8Å; T70-N108 HydrophobicContact CG2-CB 3.84Å; T70-S112 VanDerWaalsContact C-CB 3.47Å; T70-S112 WeakPolarHBondContact O-CB 3.36Å
71K96.9Very high94.9Very high97 Ų9757.9 Ų57.942%0.42232%0.322SS..  trans-145.241.9-176.2-59.2-178.8174.2-166.70112.4D68 C69 G73 E74 S112D68-K71 HydrophobicContact CB-CB 4.35Å; D68-K71 CarbonylContact O-C 3.54Å; D68-K71 PolarHBondContact O-N 3.24Å; C69-K71 VanDerWaalsContact C-N 3.3Å; K71-G73 VanDerWaalsContact C-N 3.29Å; K71-G73 PolarHBondContact O-N 2.85Å; K71-E74 HydrophobicContact CB-CB 4.27Å; K71-E74 HydrophobicContact CB-CG 4.27Å; K71-E74 PolarHBondContact O-N 2.82Å; K71-E74 VanDerWaalsContact O-N 3.09Å; K71-S112 WeakPolarHBondContact CA-OG 3.38Å; K71-S112 PolarHBondContact N-OG 3.45Å
72L96.9Very high95Very high0 Ų061.6 Ų61.60%034%0.342CS..G310 helixtrans-58.1-38-179.7-65.6172.6000112.7L8 V10 V67 D68 C69 E74 C75 L78 F109 S112 C113 V116L8-L72 HydrophobicContact CD2-CD1 4.27Å; L8-L72 HydrophobicContact CD2-CD2 4.27Å; V10-L72 HydrophobicContact CG1-CD1 4.42Å; V10-L72 HydrophobicContact CG1-CD2 4.04Å; V67-L72 HydrophobicContact CG1-CD2 3.83Å; D68-L72 PolarHBondContact O-N 3.17Å; C69-L72 HydrophobicContact CB-CD2 4.48Å; L72-E74 VanDerWaalsContact C-N 3.25Å; L72-E74 PolarHBondContact O-N 3.38Å; L72-C75 WeakPolarHBondContact O-CB 3.25Å; L72-C75 PolarHBondContact O-N 3.28Å; L72-L78 HydrophobicContact CB-CD1 4.47Å; L72-L78 HydrophobicContact CD2-CD1 3.78Å; L72-F109 HydrophobicContact CD1-CE2 4.49Å; L72-S112 PolarHBondContact N-OG 2.88Å; L72-C113 HydrophobicContact CD1-CB 4.13Å; L72-V116 HydrophobicContact CB-CG1 4.22Å; L72-V116 HydrophobicContact CB-CG2 4.11Å; L72-V116 HydrophobicContact CD1-CG2 4Å
73G93Very high95.1Very high21 Ų2159.2 Ų59.222%0.21633%0.325CS..G310 helixtrans-64.7-24.817600000114.4K71K71-G73 VanDerWaalsContact C-N 3.29Å; K71-G73 PolarHBondContact O-N 2.85Å
74E94.1Very high95Very high145 Ų14560.9 Ų60.968%0.67833%0.333SS*.G310 helixtrans-82.1-16.4176.8-60.8-179.5-154.200112.5K71 L72 A76K71-E74 HydrophobicContact CB-CB 4.27Å; K71-E74 HydrophobicContact CB-CG 4.27Å; K71-E74 PolarHBondContact O-N 2.82Å; K71-E74 VanDerWaalsContact O-N 3.09Å; L72-E74 VanDerWaalsContact C-N 3.25Å; L72-E74 PolarHBondContact O-N 3.38Å; E74-A76 PolarHBondContact O-N 3.48Å
75C95.2Very high95Very high21 Ų2162.7 Ų62.714%0.14234%0.339CS..  trans-71.2114.1-178.6-175.50000111.1L72 F77 L78 K79L72-C75 WeakPolarHBondContact O-CB 3.25Å; L72-C75 PolarHBondContact O-N 3.28Å; C75-F77 PolarHBondContact O-N 3.32Å; C75-F77 VanDerWaalsContact O-N 3.1Å; C75-L78 HydrophobicContact CB-CB 4.1Å; C75-L78 HydrophobicContact CB-CD1 4Å; C75-L78 HydrophobicContact CB-CG 4Å; C75-L78 PolarHBondContact O-N 3.47Å; C75-K79 PolarHBondContact O-N 3.34Å
76A93.7Very high95Very high85 Ų8560.8 Ų60.870%0.70233%0.33SS*.THydrogen-bonded Turntrans-55.5-32.9-177.200000114E74E74-A76 PolarHBondContact O-N 3.48Å
77F93.1Very high95.1Very high150 Ų15055.6 Ų55.666%0.65831%0.306SS*.THydrogen-bonded Turntrans-78.7-18.8179.2-65.8-77.9000114.1L64 C75 R81L64-F77 HydrophobicContact CD1-CB 3.82Å; L64-F77 HydrophobicContact CD2-CB 4.18Å; L64-F77 HydrophobicContact CD2-CD1 4.46Å; L64-F77 HydrophobicContact CD2-CD2 4.43Å; L64-F77 HydrophobicContact CD2-CG 4.12Å; C75-F77 PolarHBondContact O-N 3.32Å; C75-F77 VanDerWaalsContact O-N 3.1Å; F77-R81 WeakPolarHBondContact O-CD 3.38Å
78L94.3Very high95.1Very high0 Ų055.7 Ų55.70%031%0.307CS..THydrogen-bonded Turntrans-101.5-18.6178.3-56.8-177.8000112.1L8 T33 L64 V67 L72 C75 G80 R81 F83L8-L78 HydrophobicContact CD1-CD1 4.3Å; L8-L78 HydrophobicContact CD1-CD2 4.1Å; L8-L78 HydrophobicContact CD2-CD1 4.12Å; T33-L78 HydrophobicContact CG2-CD2 4.29Å; L64-L78 HydrophobicContact CD1-CD2 3.87Å; L64-L78 HydrophobicContact CD1-CG 4.42Å; V67-L78 HydrophobicContact CG1-CD1 4.21Å; L72-L78 HydrophobicContact CB-CD1 4.47Å; L72-L78 HydrophobicContact CD2-CD1 3.78Å; C75-L78 HydrophobicContact CB-CB 4.1Å; C75-L78 HydrophobicContact CB-CD1 4Å; C75-L78 HydrophobicContact CB-CG 4Å; C75-L78 PolarHBondContact O-N 3.47Å; L78-G80 PolarHBondContact O-N 3.46Å; L78-R81 WeakPolarHBondContact O-CB 3.36Å; L78-R81 PolarHBondContact O-N 3.04Å; L78-F83 HydrophobicContact CD2-CE2 4.03Å; L78-F83 HydrophobicContact CD2-CZ 3.81Å
79K89.6Confident95.1Very high160 Ų16054 Ų5470%0.69630%0.297SS*.THydrogen-bonded Turntrans-53.6124.3-177.8-170172.5-176.3173.70111.8C75 R81C75-K79 PolarHBondContact O-N 3.34Å; K79-R81 PolarHBondContact O-N 3.22Å
80G87.8Confident95Very high85 Ų8554.2 Ų54.288%0.87630%0.297SS*.THydrogen-bonded Turntrans78.3-1-179.700000115L78L78-G80 PolarHBondContact O-N 3.46Å
81R93.1Very high94.8Very high81 Ų8152.6 Ų52.631%0.30629%0.287SS..  trans-93.1147171.8-60.7178.263.9-167.6-3.3109.9T33 F77 L78 K79 F83T33-R81 PolarHBondContact OG1-NH2 3.28Å; F77-R81 WeakPolarHBondContact O-CD 3.38Å; L78-R81 WeakPolarHBondContact O-CB 3.36Å; L78-R81 PolarHBondContact O-N 3.04Å; K79-R81 PolarHBondContact O-N 3.22Å; R81-F83 HydrophobicContact CB-CE2 4.23Å; R81-F83 HydrophobicContact CB-CZ 4.44Å
82V95.8Very high94.3Very high88 Ų8852.1 Ų52.153%0.53329%0.286SS..  trans-121.1151.8170.1-64.70000110.1V116 A118V82-V116 CarbonylContact C-O 3.59Å; V82-V116 VanDerWaalsContact CA-O 3.26Å; V82-V116 WeakPolarHBondContact CA-O 3.25Å; V82-A118 HydrophobicContact CB-CB 4.44Å; V82-A118 HydrophobicContact CG2-CB 4.49Å
83F96.5Very high93.6Very high0 Ų054.8 Ų54.80%030%0.304CS..EExtended strand (participates in β ladder)trans-123.4136.8-178.4-62.7-89.4000110S6 L8 L78 R81 R85 V86 V116 A118S6-F83 WeakPolarHBondContact OG-CD1 3.18Å; L8-F83 HydrophobicContact CB-CB 4.23Å; L8-F83 HydrophobicContact CB-CD1 3.59Å; L8-F83 HydrophobicContact CB-CD2 3.9Å; L8-F83 HydrophobicContact CB-CE1 3.85Å; L8-F83 HydrophobicContact CB-CE2 4.15Å; L8-F83 HydrophobicContact CB-CG 3.63Å; L8-F83 HydrophobicContact CB-CZ 4.12Å; L8-F83 HydrophobicContact CD1-CE1 4.44Å; L8-F83 HydrophobicContact CD1-CE2 4.45Å; L8-F83 HydrophobicContact CD1-CZ 4.17Å; L8-F83 HydrophobicContact CD2-CD2 3.99Å; L8-F83 HydrophobicContact CD2-CE2 3.94Å; L8-F83 HydrophobicContact CD2-CZ 4.46Å; L8-F83 HydrophobicContact CG-CD2 4.49Å; L8-F83 HydrophobicContact CG-CE2 4.42Å; L8-F83 HydrophobicContact CG-CZ 4.48Å; L78-F83 HydrophobicContact CD2-CE2 4.03Å; L78-F83 HydrophobicContact CD2-CZ 3.81Å; R81-F83 HydrophobicContact CB-CE2 4.23Å; R81-F83 HydrophobicContact CB-CZ 4.44Å; F83-R85 PolarHBondContact O-N 3.26Å; F83-V86 HydrophobicContact CB-CG2 4.15Å; F83-V116 HydrophobicContact CD2-CB 4.13Å; F83-V116 HydrophobicContact CD2-CG2 4.35Å; F83-V116 WeakPolarHBondContact CD2-O 3.42Å; F83-V116 HydrophobicContact CE2-CB 4.43Å; F83-V116 PolarHBondContact N-O 2.96Å; F83-A118 WeakPolarHBondContact O-CB 3.26Å; F83-A118 PolarHBondContact O-N 3.45Å
84D96.4Very high92.6Very high53 Ų5354.9 Ų54.928%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-70.3-23.6173-53-56.9000110.8R5 S6 G121 E122R5-D84 VanDerWaalsContact CA-OD2 3.3Å; R5-D84 WeakPolarHBondContact CA-OD2 3.43Å; R5-D84 HydrophobicContact CB-CB 4.26Å; R5-D84 HydrophobicContact CG-CB 4.3Å; S6-D84 PolarHBondContact N-OD2 3.27Å; S6-D84 PolarHBondContact O-N 3.07Å; D84-G121 CarbonylContact O-C 3.58Å; D84-G121 VanDerWaalsContact O-CA 3.25Å; D84-G121 WeakPolarHBondContact O-CA 3.49Å; D84-E122 PolarHBondContact O-N 3.49Å
85R96.6Very high91.6Very high64 Ų6458.2 Ų58.224%0.24231%0.312CS..EExtended strand (participates in β ladder)trans-143.4131175.9-171.2173.3-68.8171.1-5.7112.6S6 V7 L8 F83 V87 E122 H124S6-R85 PolarHBondContact O-N 3.21Å; S6-R85 VanDerWaalsContact O-N 3.15Å; V7-R85 CarbonylContact C-O 3.6Å; V7-R85 WeakPolarHBondContact CA-O 3.46Å; V7-R85 HydrophobicContact CG1-CB 4.3Å; V7-R85 HydrophobicContact CG1-CG 4.48Å; V7-R85 HydrophobicContact CG2-CB 4.28Å; L8-R85 PolarHBondContact N-O 3.3Å; F83-R85 PolarHBondContact O-N 3.26Å; R85-V87 HydrophobicContact CG-CG2 3.72Å; R85-E122 CarbonylContact C-O 3.59Å; R85-E122 VanDerWaalsContact CA-O 3.26Å; R85-E122 WeakPolarHBondContact CA-O 3.39Å; R85-E122 IonicContact CZ-OE2 3.62Å; R85-E122 IonicContact NE-OE2 2.75Å; R85-E122 IonicContact NH2-OE2 3.49Å; R85-E122 PolarHBondContact NH2-OE2 3.27Å; R85-H124 VanDerWaalsContact CZ-CE1 3.4Å; R85-H124 PolarHBondContact NE-CE1 3.05Å; R85-H124 PolarHBondContact NE-NE2 2.64Å
86V98.1Very high90.5Very high0 Ų066.4 Ų66.40%035%0.345CS..EExtended strand (participates in β ladder)trans-115.1121.2168.6-175.20000109L8 V10 F83 F109 C113 V116 L117 E122 V123 H124L8-V86 HydrophobicContact CB-CG2 4.36Å; L8-V86 HydrophobicContact CD2-CG1 4.2Å; L8-V86 HydrophobicContact CD2-CG2 4.41Å; L8-V86 HydrophobicContact CG-CG1 4.48Å; L8-V86 CarbonylContact O-C 3.6Å; L8-V86 WeakPolarHBondContact O-CA 3.45Å; V10-V86 HydrophobicContact CG1-CG1 4.47Å; F83-V86 HydrophobicContact CB-CG2 4.15Å; V86-F109 HydrophobicContact CG1-CE2 4.02Å; V86-F109 HydrophobicContact CG1-CZ 4.01Å; V86-C113 HydrophobicContact CG1-CB 4.2Å; V86-V116 HydrophobicContact CG2-CG2 4.41Å; V86-L117 HydrophobicContact CG2-CD1 3.95Å; V86-E122 PolarHBondContact N-O 3.08Å; V86-V123 CarbonylContact O-C 3.59Å; V86-V123 WeakPolarHBondContact O-CA 3.18Å; V86-H124 PolarHBondContact O-N 3.2Å
87V98.1Very high89.6Confident10 Ų1063.8 Ų63.86%0.06132%0.321CS..EExtended strand (participates in β ladder)trans-114.3125.7-173.5-171.30000110.5V7 L8 L9 V10 R85 H124V7-V87 HydrophobicContact CG1-CG2 4.04Å; L8-V87 PolarHBondContact O-N 3.04Å; L9-V87 HydrophobicContact CD2-CB 4.25Å; L9-V87 HydrophobicContact CD2-CG1 4.42Å; L9-V87 HydrophobicContact CG-CB 4.19Å; L9-V87 HydrophobicContact CG-CG2 4.47Å; V10-V87 PolarHBondContact N-O 2.74Å; R85-V87 HydrophobicContact CG-CG2 3.72Å; V87-H124 CarbonylContact C-O 3.52Å; V87-H124 WeakPolarHBondContact CA-O 3.34Å; V87-H124 HydrophobicContact CB-CB 4.37Å; V87-H124 HydrophobicContact CG1-CB 4.21Å; V87-H124 HydrophobicContact CG2-CB 4.08Å
88F97.9Very high89.3Confident8 Ų858.8 Ų58.84%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-124.798.2170-163.5179.2000110.3V10 C69 P91 L105 F109 H124 V125 S126V10-F88 HydrophobicContact CG2-CB 3.68Å; V10-F88 HydrophobicContact CG2-CD1 4.1Å; V10-F88 HydrophobicContact CG2-CD2 3.93Å; V10-F88 HydrophobicContact CG2-CG 3.67Å; V10-F88 VanDerWaalsContact O-CD2 3.31Å; V10-F88 WeakPolarHBondContact O-CD2 3.44Å; C69-F88 WeakPolarHBondContact SG-CE1 3.25Å; F88-P91 HydrophobicContact CD1-CB 3.82Å; F88-P91 HydrophobicContact CD1-CG 4.3Å; F88-P91 HydrophobicContact CD2-CB 4.07Å; F88-P91 HydrophobicContact CE1-CB 3.52Å; F88-P91 HydrophobicContact CE1-CG 4.46Å; F88-P91 HydrophobicContact CE2-CB 3.77Å; F88-P91 HydrophobicContact CG-CB 4.11Å; F88-P91 HydrophobicContact CG-CG 4.39Å; F88-P91 HydrophobicContact CZ-CB 3.5Å; F88-P91 VanDerWaalsContact CZ-CB 3.5Å; F88-L105 HydrophobicContact CE1-CD1 4.35Å; F88-L105 HydrophobicContact CE1-CD2 4.43Å; F88-L105 HydrophobicContact CE1-CG 4.37Å; F88-L105 HydrophobicContact CZ-CD2 4.36Å; F88-F109 HydrophobicContact CB-CE1 3.95Å; F88-F109 HydrophobicContact CB-CE2 4.08Å; F88-F109 HydrophobicContact CB-CZ 3.69Å; F88-F109 HydrophobicContact CD1-CB 4.28Å; F88-F109 AromaticContact CD1-CD1 3.86Å; F88-F109 HydrophobicContact CD1-CD1 3.86Å; F88-F109 AromaticContact CD1-CD2 3.76Å; F88-F109 HydrophobicContact CD1-CD2 3.76Å; F88-F109 HydrophobicContact CD1-CE1 4.11Å; F88-F109 HydrophobicContact CD1-CE2 4.03Å; F88-F109 AromaticContact CD1-CG 3.66Å; F88-F109 HydrophobicContact CD1-CG 3.66Å; F88-F109 HydrophobicContact CD1-CZ 4.19Å; F88-F109 HydrophobicContact CE1-CB 4.33Å; F88-F109 HydrophobicContact CE1-CD2 4.3Å; F88-F109 HydrophobicContact CE1-CG 4.17Å; F88-F109 HydrophobicContact CG-CE2 4.44Å; F88-F109 HydrophobicContact CG-CZ 4.43Å; F88-H124 PolarHBondContact N-O 2.85Å; F88-V125 WeakPolarHBondContact O-CA 3.46Å; F88-S126 PolarHBondContact O-N 2.89Å
89N96.1Very high89.1Confident19 Ų1960.6 Ų60.610%0.10232%0.323CS..EExtended strand (participates in β ladder)trans-86.8124.9-178.9-72.8-38.5000111.1F17 S126F17-N89 WeakPolarHBondContact CD1-ND2 3.46Å; F17-N89 VanDerWaalsContact CE1-ND2 3.3Å; F17-N89 WeakPolarHBondContact CE1-ND2 3.32Å; F17-N89 WeakPolarHBondContact CE2-ND2 3.13Å; F17-N89 VanDerWaalsContact CZ-ND2 3.3Å; F17-N89 WeakPolarHBondContact CZ-ND2 3.32Å; N89-S126 VanDerWaalsContact OD1-CB 3.26Å; N89-S126 WeakPolarHBondContact OD1-CB 3.31Å; N89-S126 PolarHBondContact OD1-OG 2.82Å
90F94.4Very high89.2Confident16 Ų1660.9 Ų60.97%0.0732%0.324CS..SBendtrans49.856.5174.8-51.2-73.1000113.7S126 F166 Y174 F186 V188 A191F90-S126 WeakPolarHBondContact CA-O 3.39Å; F90-S126 PolarHBondContact N-O 3.07Å; F90-F166 HydrophobicContact CE2-CD1 4.23Å; F90-F166 AromaticContact CE2-CE1 3.79Å; F90-F166 HydrophobicContact CE2-CE1 3.79Å; F90-F166 HydrophobicContact CE2-CE2 4.1Å; F90-F166 AromaticContact CE2-CZ 3.72Å; F90-F166 HydrophobicContact CE2-CZ 3.72Å; F90-F166 AromaticContact CZ-CD1 3.81Å; F90-F166 HydrophobicContact CZ-CD1 3.81Å; F90-F166 HydrophobicContact CZ-CD2 4.33Å; F90-F166 AromaticContact CZ-CE1 3.86Å; F90-F166 HydrophobicContact CZ-CE1 3.86Å; F90-F166 HydrophobicContact CZ-CE2 4.36Å; F90-F166 HydrophobicContact CZ-CG 4.06Å; F90-F166 HydrophobicContact CZ-CZ 4.14Å; F90-Y174 WeakPolarHBondContact CE2-OH 3.37Å; F90-F186 HydrophobicContact CB-CE2 3.85Å; F90-F186 HydrophobicContact CB-CZ 3.5Å; F90-F186 VanDerWaalsContact CB-CZ 3.5Å; F90-F186 AromaticContact CD1-CE2 3.63Å; F90-F186 HydrophobicContact CD1-CE2 3.63Å; F90-F186 HydrophobicContact CD1-CZ 4.14Å; F90-F186 AromaticContact CD2-CE2 3.85Å; F90-F186 HydrophobicContact CD2-CE2 3.85Å; F90-F186 AromaticContact CD2-CZ 3.67Å; F90-F186 HydrophobicContact CD2-CZ 3.67Å; F90-F186 HydrophobicContact CE1-CE2 4.12Å; F90-F186 HydrophobicContact CE2-CE2 4.33Å; F90-F186 HydrophobicContact CE2-CZ 4.46Å; F90-F186 AromaticContact CG-CE2 3.47Å; F90-F186 HydrophobicContact CG-CE2 3.47Å; F90-F186 VanDerWaalsContact CG-CE2 3.47Å; F90-F186 AromaticContact CG-CZ 3.48Å; F90-F186 HydrophobicContact CG-CZ 3.48Å; F90-F186 VanDerWaalsContact CG-CZ 3.48Å; F90-F186 HydrophobicContact CZ-CE2 4.45Å; F90-V188 HydrophobicContact CE1-CG1 4.14Å; F90-V188 HydrophobicContact CE2-CG1 3.91Å; F90-V188 HydrophobicContact CZ-CB 4.12Å; F90-V188 HydrophobicContact CZ-CG1 3.62Å; F90-A191 HydrophobicContact CE1-CB 3.69Å; F90-A191 HydrophobicContact CZ-CB 3.88Å
91P93.4Very high89.5Confident2 Ų263.4 Ų63.41%0.01331%0.311CS..  trans-51.8140.1-179.512.2-24000112.7F88 L105 L106 V125 L127 W147F88-P91 HydrophobicContact CD1-CB 3.82Å; F88-P91 HydrophobicContact CD1-CG 4.3Å; F88-P91 HydrophobicContact CD2-CB 4.07Å; F88-P91 HydrophobicContact CE1-CB 3.52Å; F88-P91 HydrophobicContact CE1-CG 4.46Å; F88-P91 HydrophobicContact CE2-CB 3.77Å; F88-P91 HydrophobicContact CG-CB 4.11Å; F88-P91 HydrophobicContact CG-CG 4.39Å; F88-P91 HydrophobicContact CZ-CB 3.5Å; F88-P91 VanDerWaalsContact CZ-CB 3.5Å; P91-L105 HydrophobicContact CB-CD2 4.02Å; P91-L106 HydrophobicContact CB-CD2 4.35Å; P91-L106 HydrophobicContact CG-CD2 3.75Å; P91-V125 HydrophobicContact CG-CG1 4.11Å; P91-L127 HydrophobicContact CG-CD2 3.84Å; P91-W147 HydrophobicContact CB-CZ3 4.44Å; P91-W147 HydrophobicContact CG-CZ3 4.06Å; P91-W147 WeakPolarHBondContact O-CH2 3.44Å; P91-W147 VanDerWaalsContact O-CZ3 3.26Å; P91-W147 WeakPolarHBondContact O-CZ3 3.29Å
92H85.4Confident89.5Confident87 Ų8760.1 Ų60.140%0.40330%0.3SS..  trans-150.9143.4177.167.3-75.9000112G94H92-G94 VanDerWaalsContact C-N 3.28Å; H92-G94 PolarHBondContact O-N 2.76Å
93C82.2Confident89.5Confident55 Ų5558.2 Ų58.237%0.37228%0.283SS..  trans-89.416.1178.9-47.20000113.9S97 K101C93-S97 WeakPolarHBondContact CB-OG 3.42Å; C93-K101 PolarHBondContact SG-O 2.7Å; C93-K101 VanDerWaalsContact SG-O 3.41Å
94G72.6Confident89.6Confident24 Ų2463.3 Ų63.325%0.24731%0.307CS..SBendtrans74.4141.9-172.700000114.7H92 S97 S181H92-G94 VanDerWaalsContact C-N 3.28Å; H92-G94 PolarHBondContact O-N 2.76Å; G94-S97 PolarHBondContact O-OG 2.82Å; G94-S181 VanDerWaalsContact CA-OG 3.3Å; G94-S181 WeakPolarHBondContact CA-OG 3.41Å
95R74.1Confident89.6Confident214 Ų21461.9 Ų61.981%0.80830%0.299SS*.SBendtrans54.5-161.2-175.4-56.3-177.5179.1179.50.8112.7S97 S181R95-S97 PolarHBondContact O-N 2.87Å; R95-S181 PolarHBondContact N-OG 3.47Å
96K71.5Confident89.7Confident194 Ų19458.9 Ų58.984%0.84329%0.288SS*.SBendtrans-79.597.3174.4-171.2179.4-178.8-176.80109
97S74.9Confident89.7Confident29 Ų2962 Ų6220%0.20330%0.301CS..  trans-94.7141.3177.6-36.60000110.6C93 G94 R95 N102C93-S97 WeakPolarHBondContact CB-OG 3.42Å; G94-S97 PolarHBondContact O-OG 2.82Å; R95-S97 PolarHBondContact O-N 2.87Å; S97-N102 WeakPolarHBondContact CB-OD1 3.35Å
98G85.8Confident89.7Confident45 Ų4564.4 Ų64.446%0.46431%0.314SS..  trans-74.5157175.400000111.9K100 K101 N102G98-K100 PolarHBondContact O-N 3.12Å; G98-K100 VanDerWaalsContact O-N 3.1Å; G98-K101 PolarHBondContact O-N 2.82Å; G98-N102 PolarHBondContact O-N 3Å
99V90.6Very high89.7Confident38 Ų3864 Ų6423%0.2331%0.312CS..Hα-helixtrans-50-39.3-178.5174.80000112.7K101 N102 R103 S146V99-K101 PolarHBondContact O-N 2.91Å; V99-N102 PolarHBondContact O-N 3.32Å; V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 VanDerWaalsContact CG1-NH2 3.34Å; V99-R103 WeakPolarHBondContact O-CG 3.42Å; V99-R103 PolarHBondContact O-N 3.15Å; V99-S146 WeakPolarHBondContact CG1-O 3.5Å
100K92.5Very high89.8Confident166 Ų16663.1 Ų63.172%0.72231%0.307SS*.Hα-helixtrans-57.1-43.3176.6-173.8178.1178.3-179.70113.1G98 R103 E104G98-K100 PolarHBondContact O-N 3.12Å; G98-K100 VanDerWaalsContact O-N 3.1Å; K100-R103 PolarHBondContact O-N 2.8Å; K100-E104 PolarHBondContact O-N 3Å; K100-E104 VanDerWaalsContact O-N 3.07Å
101K93.6Very high90Very high138 Ų13865.8 Ų65.860%0.632%0.322SS*.Hα-helixtrans-68.8-36.8179.5-69.6-169.9174.4-170.50111.9C93 G98 V99 E104 L105C93-K101 PolarHBondContact SG-O 2.7Å; C93-K101 VanDerWaalsContact SG-O 3.41Å; G98-K101 PolarHBondContact O-N 2.82Å; V99-K101 PolarHBondContact O-N 2.91Å; K101-E104 PolarHBondContact O-N 3.16Å; K101-L105 PolarHBondContact O-N 3.22Å
102N93.9Very high90.2Very high12 Ų1265.8 Ų65.86%0.06432%0.322CS..Hα-helixtrans-68.6-38.4178.6-57.4-19.8000111.3S97 G98 V99 L105 L106 W147S97-N102 WeakPolarHBondContact CB-OD1 3.35Å; G98-N102 PolarHBondContact O-N 3Å; V99-N102 PolarHBondContact O-N 3.32Å; N102-L105 PolarHBondContact O-N 3.3Å; N102-L106 WeakPolarHBondContact O-CG 3.22Å; N102-L106 PolarHBondContact O-N 3.15Å; N102-W147 HydrophobicContact CB-CD2 3.66Å; N102-W147 HydrophobicContact CB-CE3 3.85Å; N102-W147 HydrophobicContact CB-CG 4.18Å; N102-W147 HydrophobicContact CB-CH2 4.12Å; N102-W147 HydrophobicContact CB-CZ2 3.95Å; N102-W147 HydrophobicContact CB-CZ3 4.06Å; N102-W147 WeakPolarHBondContact ND2-CZ2 3.31Å; N102-W147 PolarHBondContact ND2-NE1 2.84Å
103R95.8Very high90.7Very high49 Ų4961.7 Ų61.719%0.18530%0.303CS..Hα-helixtrans-59.7-46.4170.9-74.2-179.8-166.6162.45.7111.7V99 K100 L106 K107 H144 S146 W147 M152V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 VanDerWaalsContact CG1-NH2 3.34Å; V99-R103 WeakPolarHBondContact O-CG 3.42Å; V99-R103 PolarHBondContact O-N 3.15Å; K100-R103 PolarHBondContact O-N 2.8Å; R103-L106 PolarHBondContact O-N 3.4Å; R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 PolarHBondContact O-N 3.4Å; R103-H144 PolarHBondContact NH2-O 2.92Å; R103-S146 VanDerWaalsContact CZ-O 3.31Å; R103-S146 PolarHBondContact NE-O 2.91Å; R103-S146 PolarHBondContact NH2-O 3.5Å; R103-W147 WeakPolarHBondContact CG-O 3.23Å; R103-M152 HydrophobicContact CB-CG 4.26Å; R103-M152 HydrophobicContact CB-SD 3.71Å; R103-M152 HydrophobicContact CG-CG 4.43Å; R103-M152 HydrophobicContact CG-SD 4.23Å; R103-M152 VanDerWaalsContact O-SD 3.4Å
104E96.9Very high91.4Very high106 Ų10660.4 Ų60.450%0.49529%0.293SS..Hα-helixtrans-65.6-39.2179.2-170.3152.4-160.900112.7K100 K101 K107 N108K100-E104 PolarHBondContact O-N 3Å; K100-E104 VanDerWaalsContact O-N 3.07Å; K101-E104 PolarHBondContact O-N 3.16Å; E104-K107 PolarHBondContact O-N 3.3Å; E104-N108 WeakPolarHBondContact O-CB 3.41Å; E104-N108 VanDerWaalsContact O-CG 3.23Å; E104-N108 PolarHBondContact O-N 3.47Å; E104-N108 PolarHBondContact O-ND2 2.92Å
105L97.2Very high92.5Very high24 Ų2465 Ų6513%0.12631%0.309CS..Hα-helixtrans-59.2-49.7170.717362.8000111.5T70 F88 P91 K101 N102 N108 F109T70-L105 HydrophobicContact CG2-CD1 3.8Å; F88-L105 HydrophobicContact CE1-CD1 4.35Å; F88-L105 HydrophobicContact CE1-CD2 4.43Å; F88-L105 HydrophobicContact CE1-CG 4.37Å; F88-L105 HydrophobicContact CZ-CD2 4.36Å; P91-L105 HydrophobicContact CB-CD2 4.02Å; K101-L105 PolarHBondContact O-N 3.22Å; N102-L105 PolarHBondContact O-N 3.3Å; L105-N108 PolarHBondContact O-N 3.08Å; L105-F109 VanDerWaalsContact O-CB 3.23Å; L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 PolarHBondContact O-N 2.86Å
106L98.1Very high93.6Very high0 Ų055 Ų550%027%0.271CS..Hα-helixtrans-62-46.8178.9-76.2178.8000111.7P91 N102 R103 N108 F109 F110 V125 W147 V149 M152P91-L106 HydrophobicContact CB-CD2 4.35Å; P91-L106 HydrophobicContact CG-CD2 3.75Å; N102-L106 WeakPolarHBondContact O-CG 3.22Å; N102-L106 PolarHBondContact O-N 3.15Å; R103-L106 PolarHBondContact O-N 3.4Å; L106-N108 PolarHBondContact O-N 3.45Å; L106-F109 PolarHBondContact O-N 3.34Å; L106-F110 HydrophobicContact CB-CD2 4.34Å; L106-F110 HydrophobicContact CB-CE2 4.2Å; L106-F110 HydrophobicContact CD2-CE2 4.33Å; L106-F110 WeakPolarHBondContact O-CD2 3.3Å; L106-F110 WeakPolarHBondContact O-CG 3.36Å; L106-F110 PolarHBondContact O-N 3.12Å; L106-V125 HydrophobicContact CD2-CG1 4.04Å; L106-W147 HydrophobicContact CD1-CB 4.02Å; L106-W147 HydrophobicContact CD1-CE3 3.97Å; L106-W147 HydrophobicContact CG-CE3 4.49Å; L106-V149 HydrophobicContact CD1-CB 4.37Å; L106-V149 HydrophobicContact CD1-CG2 4.11Å; L106-M152 HydrophobicContact CB-CB 3.99Å; L106-M152 HydrophobicContact CB-CG 4.2Å
107K98.3Very high94.8Very high66 Ų6646 Ų4629%0.28723%0.232SC..Hα-helixtrans-55.7-52177.5178.9177177.5167.70110.9R103 E104 F109 F110 L111 M152 E155R103-K107 WeakPolarHBondContact O-CB 3.49Å; R103-K107 PolarHBondContact O-N 3.4Å; E104-K107 PolarHBondContact O-N 3.3Å; K107-F109 VanDerWaalsContact C-N 3.34Å; K107-F109 PolarHBondContact O-N 3.09Å; K107-F110 PolarHBondContact O-N 3.02Å; K107-L111 HydrophobicContact CG-CD1 4Å; K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 2.98Å; K107-M152 HydrophobicContact CB-CB 4.43Å; K107-M152 HydrophobicContact CB-SD 3.99Å; K107-E155 HydrophobicContact CD-CB 4.47Å; K107-E155 HydrophobicContact CD-CG 4.2Å; K107-E155 HydrophobicContact CG-CB 4.21Å; K107-E155 HydrophobicContact CG-CG 4.35Å; K107-E155 IonicContact NZ-OE1 3.62Å
108N98.4Very high95.8Very high60 Ų6045 Ų4532%0.32123%0.226SC..Hα-helixtrans-69.5-33.5-177.7-64.2-17.5000112.1T70 E104 L105 L106 S112T70-N108 HydrophobicContact CG2-CB 3.84Å; E104-N108 WeakPolarHBondContact O-CB 3.41Å; E104-N108 VanDerWaalsContact O-CG 3.23Å; E104-N108 PolarHBondContact O-N 3.47Å; E104-N108 PolarHBondContact O-ND2 2.92Å; L105-N108 PolarHBondContact O-N 3.08Å; L106-N108 PolarHBondContact O-N 3.45Å; N108-S112 WeakPolarHBondContact O-CB 3.41Å; N108-S112 PolarHBondContact O-N 2.65Å
109F98.5Very high96.1Very high0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-61.3-49.5170.4163.3-107.4000111.4V10 C69 L72 V86 F88 L105 L106 K107 L111 S112 C113 V123 V125V10-F109 HydrophobicContact CG2-CD2 4.2Å; V10-F109 HydrophobicContact CG2-CE2 3.62Å; V10-F109 HydrophobicContact CG2-CZ 4.34Å; C69-F109 HydrophobicContact CB-CD2 4.04Å; L72-F109 HydrophobicContact CD1-CE2 4.49Å; V86-F109 HydrophobicContact CG1-CE2 4.02Å; V86-F109 HydrophobicContact CG1-CZ 4.01Å; F88-F109 HydrophobicContact CB-CE1 3.95Å; F88-F109 HydrophobicContact CB-CE2 4.08Å; F88-F109 HydrophobicContact CB-CZ 3.69Å; F88-F109 HydrophobicContact CD1-CB 4.28Å; F88-F109 AromaticContact CD1-CD1 3.86Å; F88-F109 HydrophobicContact CD1-CD1 3.86Å; F88-F109 AromaticContact CD1-CD2 3.76Å; F88-F109 HydrophobicContact CD1-CD2 3.76Å; F88-F109 HydrophobicContact CD1-CE1 4.11Å; F88-F109 HydrophobicContact CD1-CE2 4.03Å; F88-F109 AromaticContact CD1-CG 3.66Å; F88-F109 HydrophobicContact CD1-CG 3.66Å; F88-F109 HydrophobicContact CD1-CZ 4.19Å; F88-F109 HydrophobicContact CE1-CB 4.33Å; F88-F109 HydrophobicContact CE1-CD2 4.3Å; F88-F109 HydrophobicContact CE1-CG 4.17Å; F88-F109 HydrophobicContact CG-CE2 4.44Å; F88-F109 HydrophobicContact CG-CZ 4.43Å; L105-F109 VanDerWaalsContact O-CB 3.23Å; L105-F109 WeakPolarHBondContact O-CB 3.47Å; L105-F109 PolarHBondContact O-N 2.86Å; L106-F109 PolarHBondContact O-N 3.34Å; K107-F109 VanDerWaalsContact C-N 3.34Å; K107-F109 PolarHBondContact O-N 3.09Å; F109-L111 PolarHBondContact O-N 2.97Å; F109-S112 PolarHBondContact O-N 2.92Å; F109-C113 HydrophobicContact CD2-CB 4.38Å; F109-C113 HydrophobicContact CE2-CB 3.92Å; F109-C113 HydrophobicContact CZ-CB 4.07Å; F109-C113 VanDerWaalsContact O-CB 3.29Å; F109-C113 WeakPolarHBondContact O-CB 3.48Å; F109-C113 PolarHBondContact O-N 3.45Å; F109-V123 HydrophobicContact CE1-CG1 3.7Å; F109-V123 HydrophobicContact CZ-CG1 3.79Å; F109-V125 HydrophobicContact CE1-CG2 3.82Å
110F98.6Very high96.2Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-63.4-42179.9-74.4-60.9000111.9L106 K107 S112 C113 V114 V123 V125 V149 M152 A153 A156 L158 F196L106-F110 HydrophobicContact CB-CD2 4.34Å; L106-F110 HydrophobicContact CB-CE2 4.2Å; L106-F110 HydrophobicContact CD2-CE2 4.33Å; L106-F110 WeakPolarHBondContact O-CD2 3.3Å; L106-F110 WeakPolarHBondContact O-CG 3.36Å; L106-F110 PolarHBondContact O-N 3.12Å; K107-F110 PolarHBondContact O-N 3.02Å; F110-S112 VanDerWaalsContact C-N 3.26Å; F110-S112 PolarHBondContact O-N 2.92Å; F110-C113 VanDerWaalsContact CA-SG 3.57Å; F110-C113 PolarHBondContact O-N 2.9Å; F110-C113 PolarHBondContact O-SG 3.38Å; F110-V114 PolarHBondContact O-N 2.98Å; F110-V123 HydrophobicContact CD1-CG1 4.08Å; F110-V123 HydrophobicContact CE1-CB 4.41Å; F110-V123 HydrophobicContact CE1-CG1 3.78Å; F110-V125 HydrophobicContact CE1-CG2 3.83Å; F110-V125 HydrophobicContact CZ-CG2 3.65Å; F110-V149 HydrophobicContact CE2-CG2 4.16Å; F110-V149 HydrophobicContact CZ-CG2 4.12Å; F110-M152 HydrophobicContact CD2-CB 4.23Å; F110-M152 HydrophobicContact CE2-CB 4.38Å; F110-A153 HydrophobicContact CD1-CB 4.12Å; F110-A153 VanDerWaalsContact CD2-CA 3.49Å; F110-A153 HydrophobicContact CD2-CB 3.89Å; F110-A153 HydrophobicContact CE1-CB 3.96Å; F110-A153 HydrophobicContact CE2-CB 3.73Å; F110-A153 HydrophobicContact CG-CB 4.09Å; F110-A153 HydrophobicContact CZ-CB 3.76Å; F110-A156 VanDerWaalsContact C-CB 3.41Å; F110-A156 HydrophobicContact CB-CB 3.74Å; F110-A156 WeakPolarHBondContact O-CB 3.31Å; F110-L158 HydrophobicContact CB-CD1 4.31Å; F110-L158 HydrophobicContact CD1-CD1 3.53Å; F110-L158 HydrophobicContact CE1-CD1 4.22Å; F110-L158 HydrophobicContact CG-CD1 4.27Å; F110-F196 AromaticContact CE1-CD2 3.75Å; F110-F196 HydrophobicContact CE1-CD2 3.75Å; F110-F196 HydrophobicContact CE1-CE2 4.01Å; F110-F196 HydrophobicContact CE1-CG 4.2Å; F110-F196 AromaticContact CZ-CD2 3.88Å; F110-F196 HydrophobicContact CZ-CD2 3.88Å; F110-F196 AromaticContact CZ-CE2 3.63Å; F110-F196 HydrophobicContact CZ-CE2 3.63Å; F110-F196 HydrophobicContact CZ-CG 4.48Å; F110-F196 HydrophobicContact CZ-CZ 4.04Å
111L98.2Very high96.3Very high72 Ų7243.2 Ų43.238%0.37723%0.229SC..Hα-helixtrans-59.8-37175.2-74.5170.7000112.4K107 F109 V114 E155 A156K107-L111 HydrophobicContact CG-CD1 4Å; K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 WeakPolarHBondContact O-CG 3.32Å; K107-L111 PolarHBondContact O-N 2.98Å; F109-L111 PolarHBondContact O-N 2.97Å; L111-V114 WeakPolarHBondContact O-CG2 3.12Å; L111-E155 WeakPolarHBondContact CD2-O 3.39Å; L111-A156 HydrophobicContact CD2-CB 4.14Å; L111-A156 HydrophobicContact CG-CB 4.44Å
112S98Very high96.5Very high3 Ų339.2 Ų39.22%0.02121%0.212CC..Hα-helixtrans-85.3-30.6179.4-161.90000113.7T70 K71 L72 N108 F109 F110 V114 E115T70-S112 VanDerWaalsContact C-CB 3.47Å; T70-S112 WeakPolarHBondContact O-CB 3.36Å; K71-S112 WeakPolarHBondContact CA-OG 3.38Å; K71-S112 PolarHBondContact N-OG 3.45Å; L72-S112 PolarHBondContact N-OG 2.88Å; N108-S112 WeakPolarHBondContact O-CB 3.41Å; N108-S112 PolarHBondContact O-N 2.65Å; F109-S112 PolarHBondContact O-N 2.92Å; F110-S112 VanDerWaalsContact C-N 3.26Å; F110-S112 PolarHBondContact O-N 2.92Å; S112-V114 VanDerWaalsContact C-N 3.3Å; S112-V114 PolarHBondContact O-N 2.97Å; S112-E115 WeakPolarHBondContact CA-OE1 3.38Å; S112-E115 WeakPolarHBondContact O-CB 3.25Å; S112-E115 PolarHBondContact O-N 3.24Å; S112-E115 PolarHBondContact OG-OE1 3.4Å; S112-E115 VanDerWaalsContact OG-OE1 3.09Å
113C95.7Very high96.7Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-67.6-32.3-178.580.40000112.2L72 V86 F109 F110 E115 V116 L117L72-C113 HydrophobicContact CD1-CB 4.13Å; V86-C113 HydrophobicContact CG1-CB 4.2Å; F109-C113 HydrophobicContact CD2-CB 4.38Å; F109-C113 HydrophobicContact CE2-CB 3.92Å; F109-C113 HydrophobicContact CZ-CB 4.07Å; F109-C113 VanDerWaalsContact O-CB 3.29Å; F109-C113 WeakPolarHBondContact O-CB 3.48Å; F109-C113 PolarHBondContact O-N 3.45Å; F110-C113 VanDerWaalsContact CA-SG 3.57Å; F110-C113 PolarHBondContact O-N 2.9Å; F110-C113 PolarHBondContact O-SG 3.38Å; C113-E115 PolarHBondContact O-N 3.32Å; C113-V116 CarbonylContact O-C 3.6Å; C113-V116 WeakPolarHBondContact O-CG2 3.3Å; C113-V116 PolarHBondContact O-N 2.97Å; C113-V116 VanDerWaalsContact O-N 3.1Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 3.03Å; C113-L117 VanDerWaalsContact O-N 3.08Å
114V96.4Very high96.9Very high28 Ų2836.8 Ų36.817%0.1720%0.202CC..THydrogen-bonded Turntrans-66.7-14.4176.3-65.50000113.4F110 L111 S112 V116 A156 L158 R198F110-V114 PolarHBondContact O-N 2.98Å; L111-V114 WeakPolarHBondContact O-CG2 3.12Å; S112-V114 VanDerWaalsContact C-N 3.3Å; S112-V114 PolarHBondContact O-N 2.97Å; V114-V116 VanDerWaalsContact C-N 3.32Å; V114-A156 HydrophobicContact CG1-CB 4.16Å; V114-A156 HydrophobicContact CG2-CB 4.42Å; V114-L158 HydrophobicContact CG1-CD1 3.95Å; V114-L158 HydrophobicContact CG1-CD2 4.01Å; V114-L158 HydrophobicContact CG1-CG 3.96Å; V114-R198 PolarHBondContact O-NH2 3.16Å
115E95.8Very high97Very high121 Ų12131.7 Ų31.757%0.56518%0.179SC*.THydrogen-bonded Turntrans-75-25.1173.7-58.2177.6-97.900112.4S112 C113S112-E115 WeakPolarHBondContact CA-OE1 3.38Å; S112-E115 WeakPolarHBondContact O-CB 3.25Å; S112-E115 PolarHBondContact O-N 3.24Å; S112-E115 PolarHBondContact OG-OE1 3.4Å; S112-E115 VanDerWaalsContact OG-OE1 3.09Å; C113-E115 PolarHBondContact O-N 3.32Å
116V96.9Very high97Very high4 Ų430.6 Ų30.62%0.02417%0.173CC..SBendtrans-117.18.2-176.9-59.20000112.6L8 L72 V82 F83 V86 C113 V114L8-V116 HydrophobicContact CD2-CG2 4.07Å; L72-V116 HydrophobicContact CB-CG1 4.22Å; L72-V116 HydrophobicContact CB-CG2 4.11Å; L72-V116 HydrophobicContact CD1-CG2 4Å; V82-V116 CarbonylContact C-O 3.59Å; V82-V116 VanDerWaalsContact CA-O 3.26Å; V82-V116 WeakPolarHBondContact CA-O 3.25Å; F83-V116 HydrophobicContact CD2-CB 4.13Å; F83-V116 HydrophobicContact CD2-CG2 4.35Å; F83-V116 WeakPolarHBondContact CD2-O 3.42Å; F83-V116 HydrophobicContact CE2-CB 4.43Å; F83-V116 PolarHBondContact N-O 2.96Å; V86-V116 HydrophobicContact CG2-CG2 4.41Å; C113-V116 CarbonylContact O-C 3.6Å; C113-V116 WeakPolarHBondContact O-CG2 3.3Å; C113-V116 PolarHBondContact O-N 2.97Å; C113-V116 VanDerWaalsContact O-N 3.1Å; V114-V116 VanDerWaalsContact C-N 3.32Å
117L97.3Very high96.8Very high5 Ų530.7 Ų30.73%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-93.2131.9-179.7-172.173000110.8V86 C113 V123 L158 R198V86-L117 HydrophobicContact CG2-CD1 3.95Å; C113-L117 WeakPolarHBondContact O-CB 3.37Å; C113-L117 PolarHBondContact O-N 3.03Å; C113-L117 VanDerWaalsContact O-N 3.08Å; L117-V123 HydrophobicContact CD1-CG2 3.96Å; L117-V123 HydrophobicContact CD2-CG2 3.67Å; L117-V123 HydrophobicContact CG-CG2 4.42Å; L117-L158 HydrophobicContact CD2-CD2 4.22Å; L117-R198 HydrophobicContact CD2-CG 4.21Å; L117-R198 PolarHBondContact O-NH2 3.2Å
118A95.8Very high96.6Very high9 Ų928.7 Ų28.77%0.07417%0.168CC..EExtended strand (participates in β ladder)trans-57.4163.7171.900000112.2V82 F83 D120 G121 R198V82-A118 HydrophobicContact CB-CB 4.44Å; V82-A118 HydrophobicContact CG2-CB 4.49Å; F83-A118 WeakPolarHBondContact O-CB 3.26Å; F83-A118 PolarHBondContact O-N 3.45Å; A118-D120 VanDerWaalsContact C-N 3.35Å; A118-D120 PolarHBondContact O-N 3.31Å; A118-G121 PolarHBondContact O-N 3.45Å; A118-G121 VanDerWaalsContact O-N 3.15Å; A118-R198 PolarHBondContact O-NE 3.04Å
119G92.5Very high96.3Very high68 Ų6827.8 Ų27.870%0.70116%0.163SC*.EExtended strand (participates in β ladder)trans-61.1-41.5-177.800000113.2
120D91.9Very high95.9Very high141 Ų14127.8 Ų27.875%0.75416%0.163SC*.EExtended strand (participates in β ladder)trans-10215.4174.364.6-28.1000112.7A118A118-D120 VanDerWaalsContact C-N 3.35Å; A118-D120 PolarHBondContact O-N 3.31Å
121G95.5Very high95.6Very high1 Ų129.6 Ų29.61%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-71.3157.5-178.600000113.5D84 A118D84-G121 CarbonylContact O-C 3.58Å; D84-G121 VanDerWaalsContact O-CA 3.25Å; D84-G121 WeakPolarHBondContact O-CA 3.49Å; A118-G121 PolarHBondContact O-N 3.45Å; A118-G121 VanDerWaalsContact O-N 3.15Å
122E97.4Very high95.4Very high55 Ų5526.1 Ų26.126%0.25715%0.153SC..EExtended strand (participates in β ladder)trans-114.2141.3179.6-60178.1148.200112.2D84 R85 V86 H124 V195 F196D84-E122 PolarHBondContact O-N 3.49Å; R85-E122 CarbonylContact C-O 3.59Å; R85-E122 VanDerWaalsContact CA-O 3.26Å; R85-E122 WeakPolarHBondContact CA-O 3.39Å; R85-E122 IonicContact CZ-OE2 3.62Å; R85-E122 IonicContact NE-OE2 2.75Å; R85-E122 IonicContact NH2-OE2 3.49Å; R85-E122 PolarHBondContact NH2-OE2 3.27Å; V86-E122 PolarHBondContact N-O 3.08Å; E122-H124 WeakPolarHBondContact CB-NE2 3.17Å; E122-H124 IonicContact OE2-CD2 2.73Å; E122-H124 IonicContact OE2-CE1 3.64Å; E122-H124 IonicContact OE2-NE2 3.39Å; E122-H124 PolarHBondContact OE2-NE2 3.3Å; E122-V195 HydrophobicContact CB-CG1 4.1Å; E122-V195 HydrophobicContact CG-CG1 4.18Å; E122-F196 CarbonylContact C-O 3.6Å; E122-F196 WeakPolarHBondContact CA-O 3.22Å
123V98.6Very high95.2Very high0 Ų026.1 Ų26.10%015%0.153CC..EExtended strand (participates in β ladder)trans-105.2127.2169-171.30000109V86 F109 F110 L117 V125 L158 V195 F196V86-V123 CarbonylContact O-C 3.59Å; V86-V123 WeakPolarHBondContact O-CA 3.18Å; F109-V123 HydrophobicContact CE1-CG1 3.7Å; F109-V123 HydrophobicContact CZ-CG1 3.79Å; F110-V123 HydrophobicContact CD1-CG1 4.08Å; F110-V123 HydrophobicContact CE1-CB 4.41Å; F110-V123 HydrophobicContact CE1-CG1 3.78Å; L117-V123 HydrophobicContact CD1-CG2 3.96Å; L117-V123 HydrophobicContact CD2-CG2 3.67Å; L117-V123 HydrophobicContact CG-CG2 4.42Å; V123-V125 HydrophobicContact CG1-CG2 4.28Å; V123-L158 HydrophobicContact CG2-CD1 4.01Å; V123-L158 HydrophobicContact CG2-CD2 4.5Å; V123-V195 CarbonylContact O-C 3.56Å; V123-V195 WeakPolarHBondContact O-CA 3.41Å; V123-F196 HydrophobicContact CB-CB 4.25Å; V123-F196 PolarHBondContact N-O 2.95Å; V123-F196 PolarHBondContact O-N 2.87Å
124H98.4Very high95.1Very high9 Ų926.3 Ų26.34%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-115.3115.6-173-79.6-136.1000108.8R85 V86 V87 F88 E122 L193 H194R85-H124 VanDerWaalsContact CZ-CE1 3.4Å; R85-H124 PolarHBondContact NE-CE1 3.05Å; R85-H124 PolarHBondContact NE-NE2 2.64Å; V86-H124 PolarHBondContact O-N 3.2Å; V87-H124 CarbonylContact C-O 3.52Å; V87-H124 WeakPolarHBondContact CA-O 3.34Å; V87-H124 HydrophobicContact CB-CB 4.37Å; V87-H124 HydrophobicContact CG1-CB 4.21Å; V87-H124 HydrophobicContact CG2-CB 4.08Å; F88-H124 PolarHBondContact N-O 2.85Å; E122-H124 WeakPolarHBondContact CB-NE2 3.17Å; E122-H124 IonicContact OE2-CD2 2.73Å; E122-H124 IonicContact OE2-CE1 3.64Å; E122-H124 IonicContact OE2-NE2 3.39Å; E122-H124 PolarHBondContact OE2-NE2 3.3Å; H124-L193 HydrophobicContact CB-CD1 3.77Å; H124-H194 WeakPolarHBondContact CA-O 3.45Å
125V98.5Very high95Very high0 Ų028.1 Ų28.10%017%0.167CC..EExtended strand (participates in β ladder)trans-123.4115179.1-176.40000110.3F88 P91 L106 F109 F110 V123 L127 V149 H194 F196F88-V125 WeakPolarHBondContact O-CA 3.46Å; P91-V125 HydrophobicContact CG-CG1 4.11Å; L106-V125 HydrophobicContact CD2-CG1 4.04Å; F109-V125 HydrophobicContact CE1-CG2 3.82Å; F110-V125 HydrophobicContact CE1-CG2 3.83Å; F110-V125 HydrophobicContact CZ-CG2 3.65Å; V123-V125 HydrophobicContact CG1-CG2 4.28Å; V125-L127 HydrophobicContact CG1-CD2 4.13Å; V125-L127 HydrophobicContact CG1-CG 4.1Å; V125-V149 HydrophobicContact CG1-CG2 4.45Å; V125-H194 PolarHBondContact N-O 3Å; V125-H194 WeakPolarHBondContact O-CB 3.43Å; V125-H194 PolarHBondContact O-N 2.85Å; V125-H194 PolarHBondContact O-ND1 3.47Å; V125-F196 HydrophobicContact CB-CE2 4.27Å; V125-F196 HydrophobicContact CG2-CE2 4.27Å
126S97.3Very high94.9Very high1 Ų123.7 Ų23.71%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-94.6128.4177.5-54.60000110.3F88 N89 F90 F166 L192F88-S126 PolarHBondContact O-N 2.89Å; N89-S126 VanDerWaalsContact OD1-CB 3.26Å; N89-S126 WeakPolarHBondContact OD1-CB 3.31Å; N89-S126 PolarHBondContact OD1-OG 2.82Å; F90-S126 WeakPolarHBondContact CA-O 3.39Å; F90-S126 PolarHBondContact N-O 3.07Å; S126-F166 VanDerWaalsContact OG-CD2 3.23Å; S126-F166 WeakPolarHBondContact OG-CD2 3.43Å; S126-L192 CarbonylContact C-O 3.56Å; S126-L192 WeakPolarHBondContact CA-O 3.17Å
127L95.6Very high94.7Very high1 Ų123.7 Ų23.71%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-128.6146.6-178.6-64.9177.5000110.5P91 V125 Q131 W147 V149 A191 L192P91-L127 HydrophobicContact CG-CD2 3.84Å; V125-L127 HydrophobicContact CG1-CD2 4.13Å; V125-L127 HydrophobicContact CG1-CG 4.1Å; L127-Q131 HydrophobicContact CB-CB 4.09Å; L127-W147 HydrophobicContact CD2-CE3 3.69Å; L127-W147 HydrophobicContact CD2-CZ3 3.76Å; L127-V149 HydrophobicContact CD1-CB 3.87Å; L127-V149 HydrophobicContact CD1-CG1 4.25Å; L127-V149 HydrophobicContact CD1-CG2 3.91Å; L127-A191 VanDerWaalsContact O-CA 3.31Å; L127-A191 WeakPolarHBondContact O-CA 3.5Å; L127-A191 WeakPolarHBondContact O-CB 3.38Å; L127-L192 PolarHBondContact N-O 2.91Å; L127-L192 PolarHBondContact O-N 2.78Å
128C93.4Very high94.3Very high25 Ų2530.6 Ų30.617%0.16918%0.183CC..  trans-63.7151.2171.6-64.80000109.8G130 Q131 H187C128-G130 PolarHBondContact O-N 3.46Å; C128-Q131 HydrophobicContact CB-CG 4.16Å; C128-Q131 VanDerWaalsContact O-CB 3.23Å; C128-Q131 WeakPolarHBondContact O-CB 3Å; C128-Q131 WeakPolarHBondContact O-CG 3.38Å; C128-Q131 PolarHBondContact O-N 3.08Å; C128-H187 PolarHBondContact SG-O 2.86Å; C128-H187 VanDerWaalsContact SG-O 3.4Å
129N91Very high94Very high40 Ų4035.3 Ų35.321%0.21421%0.213CC..THydrogen-bonded Turntrans-48.2127.7-178.4-170.913000113.2Q131 Q138 K190N129-Q131 VanDerWaalsContact C-N 3.29Å; N129-Q131 PolarHBondContact O-N 2.89Å; N129-Q138 PolarHBondContact ND2-O 2.66Å; N129-Q138 PolarHBondContact OD1-N 3.42Å; N129-Q138 VanDerWaalsContact OD1-N 3.13Å; N129-Q138 PolarHBondContact OD1-O 3.2Å; N129-K190 HydrophobicContact CB-CB 4.11Å; N129-K190 WeakPolarHBondContact CB-O 3.42Å
130G91.3Very high93.9Very high1 Ų138.1 Ų38.11%0.0121%0.206CC..THydrogen-bonded Turntrans83.2-8.7-17900000115C128 D137 R141C128-G130 PolarHBondContact O-N 3.46Å; G130-D137 VanDerWaalsContact CA-CG 3.46Å; G130-D137 VanDerWaalsContact CA-OD1 3.26Å; G130-D137 WeakPolarHBondContact CA-OD1 3.48Å; G130-D137 PolarHBondContact N-OD1 3.18Å; G130-R141 WeakPolarHBondContact O-CD 3.23Å; G130-R141 VanDerWaalsContact O-CG 3.25Å; G130-R141 WeakPolarHBondContact O-CG 3.42Å; G130-R141 PolarHBondContact O-NE 3.38Å
131Q93.1Very high93.8Very high37 Ų3736.5 Ų36.517%0.17319%0.189CC..SBendtrans-74.8-34.6179.4-70.9-179.2-30.200112.2L127 C128 N129 G133 W147L127-Q131 HydrophobicContact CB-CB 4.09Å; C128-Q131 HydrophobicContact CB-CG 4.16Å; C128-Q131 VanDerWaalsContact O-CB 3.23Å; C128-Q131 WeakPolarHBondContact O-CB 3Å; C128-Q131 WeakPolarHBondContact O-CG 3.38Å; C128-Q131 PolarHBondContact O-N 3.08Å; N129-Q131 VanDerWaalsContact C-N 3.29Å; N129-Q131 PolarHBondContact O-N 2.89Å; Q131-G133 VanDerWaalsContact C-N 3.32Å; Q131-G133 PolarHBondContact O-N 3.04Å; Q131-W147 HydrophobicContact CB-CD2 4.26Å; Q131-W147 HydrophobicContact CB-CG 4.32Å; Q131-W147 HydrophobicContact CG-CZ2 4.39Å; Q131-W147 WeakPolarHBondContact O-CA 3.3Å; Q131-W147 WeakPolarHBondContact O-CB 3.44Å; Q131-W147 PolarHBondContact O-N 2.79Å
132G93.9Very high93.5Very high0 Ų042.8 Ų42.80%022%0.218CC..SBendtrans-61.7-39.5-175.900000113.2T134 D137 Q148 V149G132-T134 VanDerWaalsContact C-N 3.3Å; G132-D137 PolarHBondContact N-OD2 3.22Å; G132-Q148 PolarHBondContact O-N 2.58Å; G132-V149 PolarHBondContact O-N 2.99Å
133G93.5Very high93.1Very high2 Ų244.7 Ų44.72%0.02122%0.223CC..  trans81.810.3-172.100000113.3Q131 D137 S146Q131-G133 VanDerWaalsContact C-N 3.32Å; Q131-G133 PolarHBondContact O-N 3.04Å; G133-D137 WeakPolarHBondContact CA-OD2 3.28Å; G133-D137 PolarHBondContact N-OD2 2.94Å; G133-S146 WeakPolarHBondContact CA-OG 3.12Å
134T93.9Very high92.7Very high4 Ų451 Ų513%0.02525%0.253CS..SBendtrans-84.4157.4-177.968.30000110.3G132 A136 D137 V149 L160G132-T134 VanDerWaalsContact C-N 3.3Å; T134-A136 PolarHBondContact O-N 2.97Å; T134-D137 PolarHBondContact N-OD2 3.02Å; T134-D137 WeakPolarHBondContact O-CB 3.31Å; T134-D137 PolarHBondContact O-N 3.45Å; T134-V149 HydrophobicContact CG2-CG1 3.92Å; T134-L160 HydrophobicContact CG2-CD2 4.11Å
135P94Very high92.4Very high67 Ų6754.4 Ų54.444%0.43527%0.271SS..THydrogen-bonded Turntrans-56.7-16171.5-28.537.7000115.2Y542P135-Y542 HydrophobicContact CB-CD1 3.94Å; P135-Y542 HydrophobicContact CB-CE1 3.77Å; P135-Y542 HydrophobicContact CB-CG 4.4Å; P135-Y542 VanDerWaalsContact CD-CG 3.47Å; P135-Y542 HydrophobicContact CG-CD1 3.51Å; P135-Y542 HydrophobicContact CG-CD2 4.27Å; P135-Y542 HydrophobicContact CG-CE1 3.91Å; P135-Y542 HydrophobicContact CG-CG 3.7Å
136A93.5Very high92.1Very high28 Ų2854.4 Ų54.423%0.23127%0.271CS..THydrogen-bonded Turntrans-77.2-18.517600000113.6T134 V163 L192 Y542T134-A136 PolarHBondContact O-N 2.97Å; A136-V163 HydrophobicContact CB-CB 4.15Å; A136-V163 HydrophobicContact CB-CG1 3.7Å; A136-V163 HydrophobicContact CB-CG2 4.44Å; A136-L192 HydrophobicContact CB-CD1 3.96Å; A136-Y542 HydrophobicContact CB-CE2 4.48Å
137D92.1Very high92Very high4 Ų455.3 Ų55.32%0.02127%0.274CS..SBendtrans-66.3139.7177.8-77.7-56.3000112.1G130 G132 G133 T134 P139 K140G130-D137 VanDerWaalsContact CA-CG 3.46Å; G130-D137 VanDerWaalsContact CA-OD1 3.26Å; G130-D137 WeakPolarHBondContact CA-OD1 3.48Å; G130-D137 PolarHBondContact N-OD1 3.18Å; G132-D137 PolarHBondContact N-OD2 3.22Å; G133-D137 WeakPolarHBondContact CA-OD2 3.28Å; G133-D137 PolarHBondContact N-OD2 2.94Å; T134-D137 PolarHBondContact N-OD2 3.02Å; T134-D137 WeakPolarHBondContact O-CB 3.31Å; T134-D137 PolarHBondContact O-N 3.45Å; D137-P139 CarbonylContact O-C 3.46Å; D137-K140 PolarHBondContact O-N 2.71Å; D137-K140 VanDerWaalsContact O-N 3.11Å
138Q90.2Very high92.1Very high150 Ų15056.5 Ų56.570%0.70128%0.28SS*.SBendtrans-137.1101.3179.7-67.2-161.312.700113.1N129N129-Q138 PolarHBondContact ND2-O 2.66Å; N129-Q138 PolarHBondContact OD1-N 3.42Å; N129-Q138 VanDerWaalsContact OD1-N 3.13Å; N129-Q138 PolarHBondContact OD1-O 3.2Å
139P88.8Confident92.2Very high107 Ų10755.3 Ų55.370%0.69527%0.272SS*.SBendcis-77.2144.7531.3-35000112.4D137 R141D137-P139 CarbonylContact O-C 3.46Å; P139-R141 PolarHBondContact O-N 3.41Å
140K89.3Confident92.5Very high127 Ų12754.2 Ų54.255%0.55227%0.267SS*.PPolyproline II helixtrans-62.6123.2169.1-176.7-179.2178.1-177.70109.1D137D137-K140 PolarHBondContact O-N 2.71Å; D137-K140 VanDerWaalsContact O-N 3.11Å
141R89.9Confident92.8Very high107 Ų10754.8 Ų54.840%0.40427%0.272SS..PPolyproline II helixtrans-78.8154.6173.5-67.1-166.2-169.7-169.70.6111.1G130 P139 W143G130-R141 WeakPolarHBondContact O-CD 3.23Å; G130-R141 VanDerWaalsContact O-CG 3.25Å; G130-R141 WeakPolarHBondContact O-CG 3.42Å; G130-R141 PolarHBondContact O-NE 3.38Å; P139-R141 PolarHBondContact O-N 3.41Å; R141-W143 PolarHBondContact O-N 2.89Å
142E89.9Confident93Very high134 Ų13454 Ų5463%0.62627%0.269SS*.PPolyproline II helixtrans-51.4134.8167.3-66.5-55.3143.500110.9H144 N145 S146E142-H144 VanDerWaalsContact C-N 3.3Å; E142-H144 PolarHBondContact O-N 2.86Å; E142-N145 HydrophobicContact CB-CB 4.26Å; E142-N145 CarbonylContact O-C 3.59Å; E142-N145 WeakPolarHBondContact O-CA 3.48Å; E142-N145 PolarHBondContact O-N 2.82Å; E142-S146 PolarHBondContact O-N 2.81Å
143W89.6Confident93.2Very high95 Ų9554 Ų5436%0.3627%0.269SS..G310 helixtrans-52.3-48.9-172.4179.1-119.6000112.3R141 N145 S146 Q148 A151 E544R141-W143 PolarHBondContact O-N 2.89Å; W143-N145 PolarHBondContact O-N 2.82Å; W143-S146 PolarHBondContact O-N 2.87Å; W143-S146 VanDerWaalsContact O-N 3.16Å; W143-S146 PolarHBondContact O-OG 2.9Å; W143-Q148 HydrophobicContact CD2-CG 3.95Å; W143-Q148 HydrophobicContact CE3-CG 4.17Å; W143-Q148 HydrophobicContact CH2-CB 3.58Å; W143-Q148 HydrophobicContact CH2-CG 3.71Å; W143-Q148 HydrophobicContact CZ2-CB 3.63Å; W143-Q148 HydrophobicContact CZ2-CG 3.49Å; W143-Q148 VanDerWaalsContact CZ2-CG 3.49Å; W143-Q148 HydrophobicContact CZ3-CB 4.22Å; W143-Q148 HydrophobicContact CZ3-CG 4.06Å; W143-Q148 PolarHBondContact O-NE2 2.97Å; W143-A151 HydrophobicContact CH2-CB 4.33Å; W143-A151 HydrophobicContact CZ2-CB 4.07Å; W143-E544 HydrophobicContact CH2-CG 4.45Å; W143-E544 WeakPolarHBondContact CH2-OE1 3.47Å; W143-E544 HydrophobicContact CZ2-CG 4.45Å; W143-E544 WeakPolarHBondContact CZ2-OE1 3.42Å; W143-E544 WeakPolarHBondContact CZ2-OE2 3.29Å
144H89.4Confident93.4Very high133 Ų13354.4 Ų54.462%0.61627%0.271SS*.G310 helixtrans-69.2-11.8-179.268.580.6000113.8R103 E142R103-H144 PolarHBondContact NH2-O 2.92Å; E142-H144 VanDerWaalsContact C-N 3.3Å; E142-H144 PolarHBondContact O-N 2.86Å
145N91.4Very high93.6Very high80 Ų8055.8 Ų55.843%0.42828%0.277SS..G310 helixtrans-108.46.5177.1-16223.7000113.1E142 W143E142-N145 HydrophobicContact CB-CB 4.26Å; E142-N145 CarbonylContact O-C 3.59Å; E142-N145 WeakPolarHBondContact O-CA 3.48Å; E142-N145 PolarHBondContact O-N 2.82Å; W143-N145 PolarHBondContact O-N 2.82Å
146S94Very high93.7Very high0 Ų052.7 Ų52.70%026%0.258CS..SBendtrans-100.5173.6174.878.10000112V99 R103 G133 E142 W143 Q148V99-S146 WeakPolarHBondContact CG1-O 3.5Å; R103-S146 VanDerWaalsContact CZ-O 3.31Å; R103-S146 PolarHBondContact NE-O 2.91Å; R103-S146 PolarHBondContact NH2-O 3.5Å; G133-S146 WeakPolarHBondContact CA-OG 3.12Å; E142-S146 PolarHBondContact O-N 2.81Å; W143-S146 PolarHBondContact O-N 2.87Å; W143-S146 VanDerWaalsContact O-N 3.16Å; W143-S146 PolarHBondContact O-OG 2.9Å; S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 WeakPolarHBondContact OG-CG 3.38Å; S146-Q148 PolarHBondContact OG-N 2.98Å
147W95.3Very high93.9Very high20 Ų2056.2 Ų56.28%0.07627%0.269CS..  trans-85.4-3.2176.7-62.318.2000112.4P91 N102 R103 L106 L127 Q131 V149P91-W147 HydrophobicContact CB-CZ3 4.44Å; P91-W147 HydrophobicContact CG-CZ3 4.06Å; P91-W147 WeakPolarHBondContact O-CH2 3.44Å; P91-W147 VanDerWaalsContact O-CZ3 3.26Å; P91-W147 WeakPolarHBondContact O-CZ3 3.29Å; N102-W147 HydrophobicContact CB-CD2 3.66Å; N102-W147 HydrophobicContact CB-CE3 3.85Å; N102-W147 HydrophobicContact CB-CG 4.18Å; N102-W147 HydrophobicContact CB-CH2 4.12Å; N102-W147 HydrophobicContact CB-CZ2 3.95Å; N102-W147 HydrophobicContact CB-CZ3 4.06Å; N102-W147 WeakPolarHBondContact ND2-CZ2 3.31Å; N102-W147 PolarHBondContact ND2-NE1 2.84Å; R103-W147 WeakPolarHBondContact CG-O 3.23Å; L106-W147 HydrophobicContact CD1-CB 4.02Å; L106-W147 HydrophobicContact CD1-CE3 3.97Å; L106-W147 HydrophobicContact CG-CE3 4.49Å; L127-W147 HydrophobicContact CD2-CE3 3.69Å; L127-W147 HydrophobicContact CD2-CZ3 3.76Å; Q131-W147 HydrophobicContact CB-CD2 4.26Å; Q131-W147 HydrophobicContact CB-CG 4.32Å; Q131-W147 HydrophobicContact CG-CZ2 4.39Å; Q131-W147 WeakPolarHBondContact O-CA 3.3Å; Q131-W147 WeakPolarHBondContact O-CB 3.44Å; Q131-W147 PolarHBondContact O-N 2.79Å; W147-V149 VanDerWaalsContact C-N 3.26Å; W147-V149 PolarHBondContact O-N 3.11Å
148Q95.9Very high94.2Very high25 Ų2556.1 Ų56.112%0.11727%0.269CS..  trans50.847.6173.2-56.7179.1-27.300111.4G132 W143 S146 S150 A151 M152G132-Q148 PolarHBondContact O-N 2.58Å; W143-Q148 HydrophobicContact CD2-CG 3.95Å; W143-Q148 HydrophobicContact CE3-CG 4.17Å; W143-Q148 HydrophobicContact CH2-CB 3.58Å; W143-Q148 HydrophobicContact CH2-CG 3.71Å; W143-Q148 HydrophobicContact CZ2-CB 3.63Å; W143-Q148 HydrophobicContact CZ2-CG 3.49Å; W143-Q148 VanDerWaalsContact CZ2-CG 3.49Å; W143-Q148 HydrophobicContact CZ3-CB 4.22Å; W143-Q148 HydrophobicContact CZ3-CG 4.06Å; W143-Q148 PolarHBondContact O-NE2 2.97Å; S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 WeakPolarHBondContact OG-CG 3.38Å; S146-Q148 PolarHBondContact OG-N 2.98Å; Q148-S150 PolarHBondContact O-N 3.18Å; Q148-A151 HydrophobicContact CB-CB 4.03Å; Q148-A151 WeakPolarHBondContact O-CB 3.37Å; Q148-A151 PolarHBondContact O-N 3.1Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; Q148-M152 WeakPolarHBondContact O-CG 3.4Å; Q148-M152 PolarHBondContact O-N 3.04Å
149V97.2Very high94.5Very high0 Ų049.2 Ų49.20%024%0.237CC..Hα-helixtrans-58.6-37.8-166.867.80000111.9L106 F110 V125 L127 G132 T134 W147 M152 A153 F196L106-V149 HydrophobicContact CD1-CB 4.37Å; L106-V149 HydrophobicContact CD1-CG2 4.11Å; F110-V149 HydrophobicContact CE2-CG2 4.16Å; F110-V149 HydrophobicContact CZ-CG2 4.12Å; V125-V149 HydrophobicContact CG1-CG2 4.45Å; L127-V149 HydrophobicContact CD1-CB 3.87Å; L127-V149 HydrophobicContact CD1-CG1 4.25Å; L127-V149 HydrophobicContact CD1-CG2 3.91Å; G132-V149 PolarHBondContact O-N 2.99Å; T134-V149 HydrophobicContact CG2-CG1 3.92Å; W147-V149 VanDerWaalsContact C-N 3.26Å; W147-V149 PolarHBondContact O-N 3.11Å; V149-M152 PolarHBondContact O-N 3.37Å; V149-A153 WeakPolarHBondContact O-CB 3.34Å; V149-A153 PolarHBondContact O-N 3.41Å; V149-F196 HydrophobicContact CB-CZ 4.42Å; V149-F196 HydrophobicContact CG1-CZ 4.17Å; V149-F196 HydrophobicContact CG2-CE2 4.03Å; V149-F196 HydrophobicContact CG2-CZ 3.65Å
150S96.8Very high94.9Very high17 Ų1744.4 Ų44.412%0.11921%0.205CC..Hα-helixtrans-64.4-49175-55.90000112.4Q148 M152 A153 A154Q148-S150 PolarHBondContact O-N 3.18Å; S150-M152 VanDerWaalsContact C-N 3.29Å; S150-M152 PolarHBondContact O-N 2.75Å; S150-A153 PolarHBondContact O-N 3.21Å; S150-A154 WeakPolarHBondContact O-CB 3.4Å; S150-A154 PolarHBondContact O-N 2.78Å
151A96.6Very high95.3Very high13 Ų1340 Ų4011%0.10719%0.19CC..Hα-helixtrans-56-42.9174.300000112.5W143 Q148 A154 E155 E544W143-A151 HydrophobicContact CH2-CB 4.33Å; W143-A151 HydrophobicContact CZ2-CB 4.07Å; Q148-A151 HydrophobicContact CB-CB 4.03Å; Q148-A151 WeakPolarHBondContact O-CB 3.37Å; Q148-A151 PolarHBondContact O-N 3.1Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; A151-A154 PolarHBondContact O-N 3.38Å; A151-E155 PolarHBondContact O-N 3.14Å; A151-E544 WeakPolarHBondContact CA-OE1 2.96Å; A151-E544 VanDerWaalsContact CB-OE1 3.29Å; A151-E544 WeakPolarHBondContact CB-OE1 3.2Å; A151-E544 PolarHBondContact N-OE1 3.23Å; A151-E544 VanDerWaalsContact N-OE1 3.14Å
152M97.9Very high95.6Very high22 Ų2235.8 Ų35.811%0.10818%0.178CC..Hα-helixtrans-69.5-34.9-179-61.3-56.293.800111.9R103 L106 K107 F110 Q148 V149 S150R103-M152 HydrophobicContact CB-CG 4.26Å; R103-M152 HydrophobicContact CB-SD 3.71Å; R103-M152 HydrophobicContact CG-CG 4.43Å; R103-M152 HydrophobicContact CG-SD 4.23Å; R103-M152 VanDerWaalsContact O-SD 3.4Å; L106-M152 HydrophobicContact CB-CB 3.99Å; L106-M152 HydrophobicContact CB-CG 4.2Å; K107-M152 HydrophobicContact CB-CB 4.43Å; K107-M152 HydrophobicContact CB-SD 3.99Å; F110-M152 HydrophobicContact CD2-CB 4.23Å; F110-M152 HydrophobicContact CE2-CB 4.38Å; Q148-M152 WeakPolarHBondContact O-CG 3.4Å; Q148-M152 PolarHBondContact O-N 3.04Å; V149-M152 PolarHBondContact O-N 3.37Å; S150-M152 VanDerWaalsContact C-N 3.29Å; S150-M152 PolarHBondContact O-N 2.75Å
153A98.3Very high95.9Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-70-37.1174.100000112F110 V149 S150 E155 A156 L158 F196F110-A153 HydrophobicContact CD1-CB 4.12Å; F110-A153 VanDerWaalsContact CD2-CA 3.49Å; F110-A153 HydrophobicContact CD2-CB 3.89Å; F110-A153 HydrophobicContact CE1-CB 3.96Å; F110-A153 HydrophobicContact CE2-CB 3.73Å; F110-A153 HydrophobicContact CG-CB 4.09Å; F110-A153 HydrophobicContact CZ-CB 3.76Å; V149-A153 WeakPolarHBondContact O-CB 3.34Å; V149-A153 PolarHBondContact O-N 3.41Å; S150-A153 PolarHBondContact O-N 3.21Å; A153-E155 PolarHBondContact O-N 2.79Å; A153-A156 CarbonylContact O-C 3.59Å; A153-A156 WeakPolarHBondContact O-CA 3.49Å; A153-A156 PolarHBondContact O-N 2.92Å; A153-L158 HydrophobicContact CB-CB 4.08Å; A153-L158 WeakPolarHBondContact O-CB 3.38Å; A153-L158 PolarHBondContact O-N 3.06Å; A153-F196 HydrophobicContact CB-CD1 3.47Å; A153-F196 VanDerWaalsContact CB-CD1 3.47Å; A153-F196 HydrophobicContact CB-CE1 3.48Å; A153-F196 VanDerWaalsContact CB-CE1 3.48Å; A153-F196 HydrophobicContact CB-CG 4.13Å; A153-F196 HydrophobicContact CB-CZ 4.14Å
154A97.7Very high96.2Very high9 Ų932.8 Ų32.87%0.07417%0.165CC..Hα-helixtrans-61.8-29.7179.200000112.7S150 A151 A156 H157 A606S150-A154 WeakPolarHBondContact O-CB 3.4Å; S150-A154 PolarHBondContact O-N 2.78Å; A151-A154 PolarHBondContact O-N 3.38Å; A154-A156 PolarHBondContact O-N 3.39Å; A154-A156 VanDerWaalsContact O-N 3.16Å; A154-H157 PolarHBondContact O-N 3.1Å; A154-A606 HydrophobicContact CB-CB 4.38Å
155E97.7Very high96.5Very high33 Ų3332.6 Ų32.615%0.15416%0.164CC..THydrogen-bonded Turntrans-61.4-18.7172.6-63.3-72-160.900113.4K107 L111 A151 A153 S608 T610K107-E155 HydrophobicContact CD-CB 4.47Å; K107-E155 HydrophobicContact CD-CG 4.2Å; K107-E155 HydrophobicContact CG-CB 4.21Å; K107-E155 HydrophobicContact CG-CG 4.35Å; K107-E155 IonicContact NZ-OE1 3.62Å; L111-E155 WeakPolarHBondContact CD2-O 3.39Å; A151-E155 PolarHBondContact O-N 3.14Å; A153-E155 PolarHBondContact O-N 2.79Å; E155-S608 VanDerWaalsContact OE2-CB 3.29Å; E155-S608 WeakPolarHBondContact OE2-CB 3.12Å; E155-S608 PolarHBondContact OE2-OG 3.39Å; E155-T610 PolarHBondContact OE1-OG1 3.23Å; E155-T610 VanDerWaalsContact OE2-CB 3.23Å; E155-T610 WeakPolarHBondContact OE2-CB 3.47Å; E155-T610 PolarHBondContact OE2-OG1 3.13Å
156A97.4Very high96.6Very high3 Ų329.5 Ų29.53%0.02515%0.147CC..THydrogen-bonded Turntrans-10920.9175.800000112.7F110 L111 V114 A153 A154 L158F110-A156 VanDerWaalsContact C-CB 3.41Å; F110-A156 HydrophobicContact CB-CB 3.74Å; F110-A156 WeakPolarHBondContact O-CB 3.31Å; L111-A156 HydrophobicContact CD2-CB 4.14Å; L111-A156 HydrophobicContact CG-CB 4.44Å; V114-A156 HydrophobicContact CG1-CB 4.16Å; V114-A156 HydrophobicContact CG2-CB 4.42Å; A153-A156 CarbonylContact O-C 3.59Å; A153-A156 WeakPolarHBondContact O-CA 3.49Å; A153-A156 PolarHBondContact O-N 2.92Å; A154-A156 PolarHBondContact O-N 3.39Å; A154-A156 VanDerWaalsContact O-N 3.16Å; A156-L158 VanDerWaalsContact C-N 3.29Å; A156-L158 HydrophobicContact CB-CD1 4.38Å; A156-L158 PolarHBondContact O-N 2.98Å
157H96.5Very high96.2Very high101 Ų10135.3 Ų35.347%0.46817%0.174SC..THydrogen-bonded Turntrans59.336.1-178.7-49.8-70.5000114.1A154 S199A154-H157 PolarHBondContact O-N 3.1Å; H157-S199 PolarHBondContact O-N 3.43Å; H157-S199 PolarHBondContact O-OG 3.39Å
158L97.5Very high95.6Very high2 Ų235.6 Ų35.61%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-109.7136.8175.7-64.4170.6000110.6F110 V114 L117 V123 A153 A156 F196 S197 R198 A606F110-L158 HydrophobicContact CB-CD1 4.31Å; F110-L158 HydrophobicContact CD1-CD1 3.53Å; F110-L158 HydrophobicContact CE1-CD1 4.22Å; F110-L158 HydrophobicContact CG-CD1 4.27Å; V114-L158 HydrophobicContact CG1-CD1 3.95Å; V114-L158 HydrophobicContact CG1-CD2 4.01Å; V114-L158 HydrophobicContact CG1-CG 3.96Å; L117-L158 HydrophobicContact CD2-CD2 4.22Å; V123-L158 HydrophobicContact CG2-CD1 4.01Å; V123-L158 HydrophobicContact CG2-CD2 4.5Å; A153-L158 HydrophobicContact CB-CB 4.08Å; A153-L158 WeakPolarHBondContact O-CB 3.38Å; A153-L158 PolarHBondContact O-N 3.06Å; A156-L158 VanDerWaalsContact C-N 3.29Å; A156-L158 HydrophobicContact CB-CD1 4.38Å; A156-L158 PolarHBondContact O-N 2.98Å; L158-F196 HydrophobicContact CB-CB 4.15Å; L158-F196 HydrophobicContact CD1-CB 4.45Å; L158-S197 WeakPolarHBondContact CA-O 3.32Å; L158-R198 HydrophobicContact CD2-CG 4.18Å; L158-A606 WeakPolarHBondContact O-CB 3.18Å
159I97.2Very high94.9Very high6 Ų641.5 Ų41.53%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-103.1148.9169.956.1168.9000110.3S161 F196 S197 F539 A606I159-S161 PolarHBondContact O-N 2.75Å; I159-F196 WeakPolarHBondContact O-CA 3.13Å; I159-S197 PolarHBondContact N-O 2.95Å; I159-S197 PolarHBondContact O-N 2.79Å; I159-F539 HydrophobicContact CD1-CD2 3.82Å; I159-F539 HydrophobicContact CD1-CE2 4.29Å; I159-A606 HydrophobicContact CG2-CB 3.89Å
160L97.9Very high94.1Very high5 Ų546 Ų463%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-76.3112.2172.118065.8000109T134 A162 V163 H194 F196 L541 Y542T134-L160 HydrophobicContact CG2-CD2 4.11Å; L160-A162 WeakPolarHBondContact CD1-O 3.36Å; L160-V163 HydrophobicContact CD1-CG2 4.01Å; L160-V163 HydrophobicContact CD2-CG2 3.7Å; L160-V163 HydrophobicContact CG-CG2 4.12Å; L160-H194 HydrophobicContact CD1-CB 3.83Å; L160-F196 HydrophobicContact CB-CD1 4.05Å; L160-F196 HydrophobicContact CB-CE1 3.82Å; L160-F196 HydrophobicContact CD1-CD1 4.09Å; L160-F196 HydrophobicContact CD1-CE1 3.64Å; L160-F196 HydrophobicContact CD1-CE2 4.32Å; L160-F196 HydrophobicContact CD1-CZ 3.76Å; L160-F196 HydrophobicContact CG-CE1 4.3Å; L160-L541 HydrophobicContact CD2-CB 4.2Å; L160-L541 HydrophobicContact CG-CB 4.18Å; L160-L541 WeakPolarHBondContact O-CB 3.44Å; L160-L541 PolarHBondContact O-N 3.43Å; L160-Y542 HydrophobicContact CD2-CD2 3.82Å; L160-Y542 HydrophobicContact CD2-CE2 4.36Å
161S96.6Very high93.5Very high35 Ų3546.1 Ų46.125%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-99.6-26.1-176.1-60.30000113.6I159 V195 S197 F539I159-S161 PolarHBondContact O-N 2.75Å; S161-V195 PolarHBondContact N-O 3.04Å; S161-S197 PolarHBondContact OG-OG 2.84Å; S161-F539 WeakPolarHBondContact CA-O 3.23Å; S161-F539 PolarHBondContact OG-O 3.3Å
162A97.1Very high92.4Very high19 Ų1951 Ų5116%0.15727%0.265CS..EExtended strand (participates in β ladder)trans-151.4151173.100000111.5L160 V195L160-A162 WeakPolarHBondContact CD1-O 3.36Å; A162-V195 HydrophobicContact CB-CB 4.06Å; A162-V195 HydrophobicContact CB-CG2 4.31Å; A162-V195 PolarHBondContact N-O 3.49Å; A162-V195 PolarHBondContact O-N 2.93Å
163V96.9Very high91.7Very high33 Ų3352.3 Ų52.320%0.228%0.277CS..EExtended strand (participates in β ladder)trans-122.8128.5163.3-174.10000107.7A136 L160 L192 L193 Y542A136-V163 HydrophobicContact CB-CB 4.15Å; A136-V163 HydrophobicContact CB-CG1 3.7Å; A136-V163 HydrophobicContact CB-CG2 4.44Å; L160-V163 HydrophobicContact CD1-CG2 4.01Å; L160-V163 HydrophobicContact CD2-CG2 3.7Å; L160-V163 HydrophobicContact CG-CG2 4.12Å; V163-L192 HydrophobicContact CG1-CB 4.07Å; V163-L192 HydrophobicContact CG1-CD1 4.05Å; V163-L192 HydrophobicContact CG1-CD2 4.23Å; V163-L192 HydrophobicContact CG1-CG 4.35Å; V163-L193 WeakPolarHBondContact CA-O 3.12Å; V163-Y542 HydrophobicContact CG2-CE2 4.16Å
164R95.4Very high91.3Very high132 Ų13254.3 Ų54.350%0.49828%0.284SS..EExtended strand (participates in β ladder)trans-129.4157.8-178.6-58.8-179.5-173.6165.45.1109.5L192 L193R164-L192 CarbonylContact O-C 3.52Å; R164-L192 WeakPolarHBondContact O-CA 3.11Å; R164-L193 HydrophobicContact CB-CB 4.46Å; R164-L193 PolarHBondContact N-O 3.14Å; R164-L193 PolarHBondContact O-N 3.29Å
165Q94.8Very high90.8Very high130 Ų13058.4 Ų58.461%0.60730%0.301SS*.EExtended strand (participates in β ladder)trans-67.4140.4168.3-172.1169.4-9.800109.6E167Q165-E167 PolarHBondContact O-N 2.83Å
166F93.3Very high90.4Very high14 Ų1457.8 Ų57.86%0.06130%0.3CS..  trans-77.9111.4171.8-178.2-94.9000109.4F17 F90 S126 S168 Y174 A191F17-F166 HydrophobicContact CD2-CZ 4.17Å; F17-F166 AromaticContact CE2-CE2 3.85Å; F17-F166 HydrophobicContact CE2-CE2 3.85Å; F17-F166 AromaticContact CE2-CZ 3.78Å; F17-F166 HydrophobicContact CE2-CZ 3.78Å; F90-F166 HydrophobicContact CE2-CD1 4.23Å; F90-F166 AromaticContact CE2-CE1 3.79Å; F90-F166 HydrophobicContact CE2-CE1 3.79Å; F90-F166 HydrophobicContact CE2-CE2 4.1Å; F90-F166 AromaticContact CE2-CZ 3.72Å; F90-F166 HydrophobicContact CE2-CZ 3.72Å; F90-F166 AromaticContact CZ-CD1 3.81Å; F90-F166 HydrophobicContact CZ-CD1 3.81Å; F90-F166 HydrophobicContact CZ-CD2 4.33Å; F90-F166 AromaticContact CZ-CE1 3.86Å; F90-F166 HydrophobicContact CZ-CE1 3.86Å; F90-F166 HydrophobicContact CZ-CE2 4.36Å; F90-F166 HydrophobicContact CZ-CG 4.06Å; F90-F166 HydrophobicContact CZ-CZ 4.14Å; S126-F166 VanDerWaalsContact OG-CD2 3.23Å; S126-F166 WeakPolarHBondContact OG-CD2 3.43Å; F166-S168 PolarHBondContact O-N 3.49Å; F166-Y174 HydrophobicContact CE1-CD1 4.36Å; F166-Y174 AromaticContact CE1-CE1 3.7Å; F166-Y174 HydrophobicContact CE1-CE1 3.7Å; F166-Y174 HydrophobicContact CZ-CD1 4.48Å; F166-Y174 AromaticContact CZ-CE1 3.84Å; F166-Y174 HydrophobicContact CZ-CE1 3.84Å; F166-A191 HydrophobicContact CB-CB 3.81Å; F166-A191 WeakPolarHBondContact CB-O 3.3Å; F166-A191 HydrophobicContact CD1-CB 4.48Å; F166-A191 HydrophobicContact CG-CB 4.39Å; F166-A191 PolarHBondContact N-O 3.42Å
167E87.3Confident89.8Confident122 Ų12258.6 Ų58.657%0.5731%0.305SS*.  trans-91.174.4-174-64.3176.3177.500111.4Q165 D169 N170Q165-E167 PolarHBondContact O-N 2.83Å; E167-D169 PolarHBondContact O-N 3.31Å; E167-N170 HydrophobicContact CB-CB 4.42Å; E167-N170 PolarHBondContact O-N 2.91Å; E167-N170 PolarHBondContact OE2-ND2 3.28Å
168S82.9Confident89.1Confident26 Ų2654.6 Ų54.618%0.18229%0.291CS..G310 helixtrans-61-30174.851.30000113.2F166 N170 L171F166-S168 PolarHBondContact O-N 3.49Å; S168-N170 PolarHBondContact O-N 2.99Å; S168-L171 WeakPolarHBondContact O-CB 3.4Å; S168-L171 PolarHBondContact O-N 3.05Å
169D79.3Confident88.3Confident150 Ų15059.6 Ų59.680%0.80231%0.31SS*.G310 helixtrans-71.3-22.8-171.4-56.8-15.6000112.2E167 L171E167-D169 PolarHBondContact O-N 3.31Å; D169-L171 PolarHBondContact O-N 3.37Å
170N82.3Confident87.4Confident93 Ų9366.3 Ų66.350%0.49734%0.335SS..G310 helixtrans-79.3-2.9174.3-69.2-18.3000112.6E167 S168 P172E167-N170 HydrophobicContact CB-CB 4.42Å; E167-N170 PolarHBondContact O-N 2.91Å; E167-N170 PolarHBondContact OE2-ND2 3.28Å; S168-N170 PolarHBondContact O-N 2.99Å; N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 2.76Å
171L83.4Confident86.5Confident21 Ų2169.1 Ų69.111%0.1136%0.355CS..  trans-115.385.6-178.1-61.4172.8000110.1F17 V21 S168 D169 S173 Y174F17-L171 HydrophobicContact CD2-CD1 3.58Å; F17-L171 HydrophobicContact CE2-CD1 3.3Å; F17-L171 HydrophobicContact CZ-CD1 4.17Å; V21-L171 HydrophobicContact CG2-CD2 4.27Å; S168-L171 WeakPolarHBondContact O-CB 3.4Å; S168-L171 PolarHBondContact O-N 3.05Å; D169-L171 PolarHBondContact O-N 3.37Å; L171-S173 PolarHBondContact O-N 3.36Å; L171-Y174 HydrophobicContact CD1-CG 4.43Å; L171-Y174 PolarHBondContact O-N 3.34Å
172P72.8Confident85.7Confident114 Ų11471.4 Ų71.474%0.7436%0.362SS*.THydrogen-bonded Turntrans-65-16.7-166.622.1-32.8000114.9N170N170-P172 VanDerWaalsContact O-CD 3.3Å; N170-P172 WeakPolarHBondContact O-CD 2.76Å
173S83.3Confident84.9Confident50 Ų5074.4 Ų74.435%0.3538%0.376SS..THydrogen-bonded Turntrans-111.43.7177.1-56.70000113.5S20 L171S20-S173 WeakPolarHBondContact OG-CA 3.42Å; S20-S173 WeakPolarHBondContact OG-CB 3.42Å; L171-S173 PolarHBondContact O-N 3.36Å
174Y90.3Very high84.4Confident42 Ų4278.5 Ų78.517%0.16539%0.39CS..  trans-75.9129.3-177.5173.8-122000111.1F17 S20 F90 F166 L171F17-Y174 HydrophobicContact CB-CD2 3.61Å; F17-Y174 HydrophobicContact CB-CE2 3.73Å; F17-Y174 AromaticContact CD2-CD2 3.93Å; F17-Y174 HydrophobicContact CD2-CD2 3.93Å; F17-Y174 AromaticContact CD2-CE2 3.99Å; F17-Y174 HydrophobicContact CD2-CE2 3.99Å; F17-Y174 HydrophobicContact CD2-CG 4.26Å; F17-Y174 HydrophobicContact CG-CD2 4.27Å; F17-Y174 HydrophobicContact CG-CE2 4.34Å; S20-Y174 PolarHBondContact OG-N 3.43Å; S20-Y174 VanDerWaalsContact OG-N 3.11Å; F90-Y174 WeakPolarHBondContact CE2-OH 3.37Å; F166-Y174 HydrophobicContact CE1-CD1 4.36Å; F166-Y174 AromaticContact CE1-CE1 3.7Å; F166-Y174 HydrophobicContact CE1-CE1 3.7Å; F166-Y174 HydrophobicContact CZ-CD1 4.48Å; F166-Y174 AromaticContact CZ-CE1 3.84Å; F166-Y174 HydrophobicContact CZ-CE1 3.84Å; L171-Y174 HydrophobicContact CD1-CG 4.43Å; L171-Y174 PolarHBondContact O-N 3.34Å
175K88.2Confident83.9Confident96 Ų9674.3 Ų74.342%0.41739%0.388SS..  trans-126.1115.7175.7-177.3178.6175.7178.40108.4S16 D47 T177S16-K175 PolarHBondContact OG-N 3.48Å; S16-K175 PolarHBondContact OG-O 3.39Å; S16-K175 VanDerWaalsContact OG-O 3.11Å; D47-K175 IonicContact OD2-NZ 2.73Å; D47-K175 PolarHBondContact OD2-NZ 3.5Å; K175-T177 HydrophobicContact CD-CG2 4.31Å; K175-T177 HydrophobicContact CG-CG2 4.04Å; K175-T177 PolarHBondContact O-N 3.42Å
176S88Confident83.5Confident19 Ų1970.2 Ų70.213%0.13337%0.369CS..  trans-63.2132.5170.4710000109.2G185 F186S176-G185 WeakPolarHBondContact O-CA 3.22Å; S176-F186 PolarHBondContact OG-N 3.09Å; S176-F186 PolarHBondContact OG-O 2.9Å
177T85Confident83.1Confident21 Ų2177.4 Ų77.413%0.12940%0.402CS..  trans-144.6155.5-179.756.40000110K175 K184 F186K175-T177 HydrophobicContact CD-CG2 4.31Å; K175-T177 HydrophobicContact CG-CG2 4.04Å; K175-T177 PolarHBondContact O-N 3.42Å; T177-K184 WeakPolarHBondContact CA-O 3.44Å; T177-F186 WeakPolarHBondContact O-CE1 3.42Å
178G81.6Confident83.2Confident17 Ų1772.7 Ų72.718%0.17538%0.382CS..  trans108.910.4177.400000114.5R180 S181 Q182 K184G178-R180 PolarHBondContact O-N 3.36Å; G178-S181 PolarHBondContact O-N 3.14Å; G178-Q182 CarbonylContact C-O 3.56Å; G178-Q182 WeakPolarHBondContact CA-O 3.31Å; G178-Q182 PolarHBondContact N-O 3.14Å; G178-K184 PolarHBondContact N-O 2.84Å; G178-K184 VanDerWaalsContact N-O 3.14Å
179Y81.4Confident83.4Confident107 Ų10778.3 Ų78.342%0.4241%0.405SS..G310 helixtrans-57.2113.5174.9-178.8-102.9000110.5S181 Q182 K184 G185 F186Y179-S181 PolarHBondContact O-N 3.09Å; Y179-Q182 WeakPolarHBondContact O-CB 3.37Å; Y179-Q182 PolarHBondContact O-N 2.9Å; Y179-K184 WeakPolarHBondContact CB-O 3.33Å; Y179-K184 PolarHBondContact N-O 3.45Å; Y179-G185 WeakPolarHBondContact CB-O 3.38Å; Y179-F186 HydrophobicContact CD2-CB 3.99Å
180R78.7Confident84Confident146 Ų14676.8 Ų76.855%0.55139%0.391SS*.G310 helixtrans5435.3-173.3-56.5-178.2179.9-151.52.1113.6G178 Q182G178-R180 PolarHBondContact O-N 3.36Å; R180-Q182 VanDerWaalsContact C-N 3.33Å
181S78.3Confident84.6Confident64 Ų6472.4 Ų72.445%0.44837%0.368SS..G310 helixtrans62.137.7-177.8-50.40000113.3G94 R95 G178 Y179G94-S181 VanDerWaalsContact CA-OG 3.3Å; G94-S181 WeakPolarHBondContact CA-OG 3.41Å; R95-S181 PolarHBondContact N-OG 3.47Å; G178-S181 PolarHBondContact O-N 3.14Å; Y179-S181 PolarHBondContact O-N 3.09Å
182Q79.2Confident85.2Confident84 Ų8472.4 Ų72.439%0.39337%0.368SS..SBendtrans-121.5162174.9-57-178.35.600110.1G178 Y179 R180 K184G178-Q182 CarbonylContact C-O 3.56Å; G178-Q182 WeakPolarHBondContact CA-O 3.31Å; G178-Q182 PolarHBondContact N-O 3.14Å; Y179-Q182 WeakPolarHBondContact O-CB 3.37Å; Y179-Q182 PolarHBondContact O-N 2.9Å; R180-Q182 VanDerWaalsContact C-N 3.33Å; Q182-K184 HydrophobicContact CB-CB 4.39Å; Q182-K184 HydrophobicContact CB-CD 4.45Å; Q182-K184 HydrophobicContact CB-CG 4.23Å; Q182-K184 PolarHBondContact O-N 2.91Å; Q182-K184 VanDerWaalsContact OE1-CE 3.31Å
183D81.8Confident86.4Confident82 Ų8268.2 Ų68.244%0.43934%0.339SS..SBendtrans-71.454.8167.5-76.3-31.3000112.3H46H46-D183 IonicContact CE1-OD1 2.64Å; H46-D183 IonicContact CG-OD1 3.75Å; H46-D183 IonicContact ND1-OD1 3.62Å; H46-D183 PolarHBondContact ND1-OD1 3.21Å; H46-D183 IonicContact ND1-OD2 3.99Å
184K84.8Confident87.1Confident118 Ų11865.8 Ų65.851%0.51332%0.322SS..  trans-130.1139178.3-69.5-175.5-177.6162.10109.4T177 G178 Y179 Q182T177-K184 WeakPolarHBondContact CA-O 3.44Å; G178-K184 PolarHBondContact N-O 2.84Å; G178-K184 VanDerWaalsContact N-O 3.14Å; Y179-K184 WeakPolarHBondContact CB-O 3.33Å; Y179-K184 PolarHBondContact N-O 3.45Å; Q182-K184 HydrophobicContact CB-CB 4.39Å; Q182-K184 HydrophobicContact CB-CD 4.45Å; Q182-K184 HydrophobicContact CB-CG 4.23Å; Q182-K184 PolarHBondContact O-N 2.91Å; Q182-K184 VanDerWaalsContact OE1-CE 3.31Å
185G86.3Confident87.5Confident44 Ų4463.9 Ų63.945%0.45432%0.315SS..  trans-72.5164.3173.300000112.9S176 Y179S176-G185 WeakPolarHBondContact O-CA 3.22Å; Y179-G185 WeakPolarHBondContact CB-O 3.38Å
186F86.3Confident88Confident44 Ų4459.3 Ų59.319%0.19330%0.295CS..  trans-133.4161.6173.957.2-92.8000109.8F90 S176 T177 Y179 V188F90-F186 HydrophobicContact CB-CE2 3.85Å; F90-F186 HydrophobicContact CB-CZ 3.5Å; F90-F186 VanDerWaalsContact CB-CZ 3.5Å; F90-F186 AromaticContact CD1-CE2 3.63Å; F90-F186 HydrophobicContact CD1-CE2 3.63Å; F90-F186 HydrophobicContact CD1-CZ 4.14Å; F90-F186 AromaticContact CD2-CE2 3.85Å; F90-F186 HydrophobicContact CD2-CE2 3.85Å; F90-F186 AromaticContact CD2-CZ 3.67Å; F90-F186 HydrophobicContact CD2-CZ 3.67Å; F90-F186 HydrophobicContact CE1-CE2 4.12Å; F90-F186 HydrophobicContact CE2-CE2 4.33Å; F90-F186 HydrophobicContact CE2-CZ 4.46Å; F90-F186 AromaticContact CG-CE2 3.47Å; F90-F186 HydrophobicContact CG-CE2 3.47Å; F90-F186 VanDerWaalsContact CG-CE2 3.47Å; F90-F186 AromaticContact CG-CZ 3.48Å; F90-F186 HydrophobicContact CG-CZ 3.48Å; F90-F186 VanDerWaalsContact CG-CZ 3.48Å; F90-F186 HydrophobicContact CZ-CE2 4.45Å; S176-F186 PolarHBondContact OG-N 3.09Å; S176-F186 PolarHBondContact OG-O 2.9Å; T177-F186 WeakPolarHBondContact O-CE1 3.42Å; Y179-F186 HydrophobicContact CD2-CB 3.99Å; F186-V188 HydrophobicContact CD2-CG1 4.07Å; F186-V188 HydrophobicContact CE2-CG1 3.69Å; F186-V188 PolarHBondContact O-N 2.84Å
187H84.9Confident88.4Confident165 Ų16559.3 Ų59.376%0.76430%0.295SS*.  trans-69.9119.4-178.1-62.2-70.7000111.2C128C128-H187 PolarHBondContact SG-O 2.86Å; C128-H187 VanDerWaalsContact SG-O 3.4Å
188V89.1Confident88.9Confident24 Ų2462.2 Ų62.215%0.14530%0.304CS..  trans-103.92.3172.6-62.40000112.2F90 F186 K190 A191F90-V188 HydrophobicContact CE1-CG1 4.14Å; F90-V188 HydrophobicContact CE2-CG1 3.91Å; F90-V188 HydrophobicContact CZ-CB 4.12Å; F90-V188 HydrophobicContact CZ-CG1 3.62Å; F186-V188 HydrophobicContact CD2-CG1 4.07Å; F186-V188 HydrophobicContact CE2-CG1 3.69Å; F186-V188 PolarHBondContact O-N 2.84Å; V188-K190 PolarHBondContact O-N 2.82Å; V188-A191 HydrophobicContact CB-CB 4.47Å; V188-A191 WeakPolarHBondContact O-CB 3.2Å; V188-A191 PolarHBondContact O-N 3.17Å
189E87.6Confident89.5Confident143 Ų14362.1 Ų62.167%0.66830%0.3SS*.THydrogen-bonded Turntrans-58.1129177.2-160.1-162.6144.800110.1A191E189-A191 PolarHBondContact O-N 2.83Å; E189-A191 VanDerWaalsContact O-N 3.12Å
190K90.9Very high89.9Confident119 Ų11958.1 Ų58.152%0.51729%0.29SS..THydrogen-bonded Turntrans57.620.3-176.2-54.1175.8-175.5-179.30114N129 V188N129-K190 HydrophobicContact CB-CB 4.11Å; N129-K190 WeakPolarHBondContact CB-O 3.42Å; V188-K190 PolarHBondContact O-N 2.82Å
191A94.9Very high90.4Very high0 Ų056.2 Ų56.20%030%0.296CS..  trans-60.8149.4169.600000110.2F90 L127 F166 V188 E189F90-A191 HydrophobicContact CE1-CB 3.69Å; F90-A191 HydrophobicContact CZ-CB 3.88Å; L127-A191 VanDerWaalsContact O-CA 3.31Å; L127-A191 WeakPolarHBondContact O-CA 3.5Å; L127-A191 WeakPolarHBondContact O-CB 3.38Å; F166-A191 HydrophobicContact CB-CB 3.81Å; F166-A191 WeakPolarHBondContact CB-O 3.3Å; F166-A191 HydrophobicContact CD1-CB 4.48Å; F166-A191 HydrophobicContact CG-CB 4.39Å; F166-A191 PolarHBondContact N-O 3.42Å; V188-A191 HydrophobicContact CB-CB 4.47Å; V188-A191 WeakPolarHBondContact O-CB 3.2Å; V188-A191 PolarHBondContact O-N 3.17Å; E189-A191 PolarHBondContact O-N 2.83Å; E189-A191 VanDerWaalsContact O-N 3.12Å
192L96.7Very high90.9Very high21 Ų2154.8 Ų54.811%0.1128%0.282CS..EExtended strand (participates in β ladder)trans-117.2133.8-177.5-64.7177.9000110.1S126 L127 A136 V163 R164 H194S126-L192 CarbonylContact C-O 3.56Å; S126-L192 WeakPolarHBondContact CA-O 3.17Å; L127-L192 PolarHBondContact N-O 2.91Å; L127-L192 PolarHBondContact O-N 2.78Å; A136-L192 HydrophobicContact CB-CD1 3.96Å; V163-L192 HydrophobicContact CG1-CB 4.07Å; V163-L192 HydrophobicContact CG1-CD1 4.05Å; V163-L192 HydrophobicContact CG1-CD2 4.23Å; V163-L192 HydrophobicContact CG1-CG 4.35Å; R164-L192 CarbonylContact O-C 3.52Å; R164-L192 WeakPolarHBondContact O-CA 3.11Å; L192-H194 PolarHBondContact O-ND1 3.34Å
193L97.4Very high91.1Very high26 Ų2653.7 Ų53.714%0.13628%0.281CS..EExtended strand (participates in β ladder)trans-90.2118.916717161.9000108.9H124 V163 R164 V195H124-L193 HydrophobicContact CB-CD1 3.77Å; V163-L193 WeakPolarHBondContact CA-O 3.12Å; R164-L193 HydrophobicContact CB-CB 4.46Å; R164-L193 PolarHBondContact N-O 3.14Å; R164-L193 PolarHBondContact O-N 3.29Å; L193-V195 HydrophobicContact CD2-CG2 4.35Å; L193-V195 HydrophobicContact CG-CG2 4.14Å
194H98.4Very high90.9Very high0 Ų054 Ų540%029%0.287CS..EExtended strand (participates in β ladder)trans-98.9123.4174.2-58.177.8000108.6H124 V125 L160 L192 F196H124-H194 WeakPolarHBondContact CA-O 3.45Å; V125-H194 PolarHBondContact N-O 3Å; V125-H194 WeakPolarHBondContact O-CB 3.43Å; V125-H194 PolarHBondContact O-N 2.85Å; V125-H194 PolarHBondContact O-ND1 3.47Å; L160-H194 HydrophobicContact CD1-CB 3.83Å; L192-H194 PolarHBondContact O-ND1 3.34Å; H194-F196 HydrophobicContact CB-CD2 4.37Å; H194-F196 HydrophobicContact CB-CE2 3.44Å; H194-F196 VanDerWaalsContact CB-CE2 3.44Å; H194-F196 HydrophobicContact CB-CZ 3.71Å
195V98.3Very high90.8Very high2 Ų250.8 Ų50.81%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-107.8120.3179.5-176.80000108.6E122 V123 S161 A162 L193E122-V195 HydrophobicContact CB-CG1 4.1Å; E122-V195 HydrophobicContact CG-CG1 4.18Å; V123-V195 CarbonylContact O-C 3.56Å; V123-V195 WeakPolarHBondContact O-CA 3.41Å; S161-V195 PolarHBondContact N-O 3.04Å; A162-V195 HydrophobicContact CB-CB 4.06Å; A162-V195 HydrophobicContact CB-CG2 4.31Å; A162-V195 PolarHBondContact N-O 3.49Å; A162-V195 PolarHBondContact O-N 2.93Å; L193-V195 HydrophobicContact CD2-CG2 4.35Å; L193-V195 HydrophobicContact CG-CG2 4.14Å
196F98.4Very high90.7Very high0 Ų054.4 Ų54.40%028%0.283CS..EExtended strand (participates in β ladder)trans-111.8148.1179.1-56.5-90.2000110.7F110 E122 V123 V125 V149 A153 L158 I159 L160 H194F110-F196 AromaticContact CE1-CD2 3.75Å; F110-F196 HydrophobicContact CE1-CD2 3.75Å; F110-F196 HydrophobicContact CE1-CE2 4.01Å; F110-F196 HydrophobicContact CE1-CG 4.2Å; F110-F196 AromaticContact CZ-CD2 3.88Å; F110-F196 HydrophobicContact CZ-CD2 3.88Å; F110-F196 AromaticContact CZ-CE2 3.63Å; F110-F196 HydrophobicContact CZ-CE2 3.63Å; F110-F196 HydrophobicContact CZ-CG 4.48Å; F110-F196 HydrophobicContact CZ-CZ 4.04Å; E122-F196 CarbonylContact C-O 3.6Å; E122-F196 WeakPolarHBondContact CA-O 3.22Å; V123-F196 HydrophobicContact CB-CB 4.25Å; V123-F196 PolarHBondContact N-O 2.95Å; V123-F196 PolarHBondContact O-N 2.87Å; V125-F196 HydrophobicContact CB-CE2 4.27Å; V125-F196 HydrophobicContact CG2-CE2 4.27Å; V149-F196 HydrophobicContact CB-CZ 4.42Å; V149-F196 HydrophobicContact CG1-CZ 4.17Å; V149-F196 HydrophobicContact CG2-CE2 4.03Å; V149-F196 HydrophobicContact CG2-CZ 3.65Å; A153-F196 HydrophobicContact CB-CD1 3.47Å; A153-F196 VanDerWaalsContact CB-CD1 3.47Å; A153-F196 HydrophobicContact CB-CE1 3.48Å; A153-F196 VanDerWaalsContact CB-CE1 3.48Å; A153-F196 HydrophobicContact CB-CG 4.13Å; A153-F196 HydrophobicContact CB-CZ 4.14Å; L158-F196 HydrophobicContact CB-CB 4.15Å; L158-F196 HydrophobicContact CD1-CB 4.45Å; I159-F196 WeakPolarHBondContact O-CA 3.13Å; L160-F196 HydrophobicContact CB-CD1 4.05Å; L160-F196 HydrophobicContact CB-CE1 3.82Å; L160-F196 HydrophobicContact CD1-CD1 4.09Å; L160-F196 HydrophobicContact CD1-CE1 3.64Å; L160-F196 HydrophobicContact CD1-CE2 4.32Å; L160-F196 HydrophobicContact CD1-CZ 3.76Å; L160-F196 HydrophobicContact CG-CE1 4.3Å; H194-F196 HydrophobicContact CB-CD2 4.37Å; H194-F196 HydrophobicContact CB-CE2 3.44Å; H194-F196 VanDerWaalsContact CB-CE2 3.44Å; H194-F196 HydrophobicContact CB-CZ 3.71Å
197S96.6Very high90.7Very high19 Ų1958.7 Ų58.713%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-136.4162.7172.865.10000110L158 I159 S161 S199 R521L158-S197 WeakPolarHBondContact CA-O 3.32Å; I159-S197 PolarHBondContact N-O 2.95Å; I159-S197 PolarHBondContact O-N 2.79Å; S161-S197 PolarHBondContact OG-OG 2.84Å; S197-S199 PolarHBondContact O-N 3.17Å; S197-R521 PolarHBondContact OG-NH1 2.83Å
198R95.8Very high91Very high82 Ų8252.7 Ų52.731%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-59.4137.5178.2-65.3-175.8179.4-867.7110.9V114 L117 A118 L158 R521V114-R198 PolarHBondContact O-NH2 3.16Å; L117-R198 HydrophobicContact CD2-CG 4.21Å; L117-R198 PolarHBondContact O-NH2 3.2Å; A118-R198 PolarHBondContact O-NE 3.04Å; L158-R198 HydrophobicContact CD2-CG 4.18Å; R198-R521 PolarHBondContact O-NH1 2.61Å; R198-R521 VanDerWaalsContact O-NH1 3.09Å; R198-R521 PolarHBondContact O-NH2 3.25Å
199S93.9Very high91.1Very high15 Ų1558.4 Ų58.411%0.10531%0.306CS..PPolyproline II helixtrans-80.8156163.178.40000110.1H157 S197 A606H157-S199 PolarHBondContact O-N 3.43Å; H157-S199 PolarHBondContact O-OG 3.39Å; S197-S199 PolarHBondContact O-N 3.17Å; S199-A606 VanDerWaalsContact CB-N 3.26Å; S199-A606 WeakPolarHBondContact OG-CB 3.29Å; S199-A606 PolarHBondContact OG-N 3.04Å
200A90.1Very high91.4Very high23 Ų2352.9 Ų52.919%0.1928%0.281CS..PPolyproline II helixtrans-59.3149.5160.300000109.4H605A200-H605 PolarHBondContact O-CD2 2.75Å
201P88.9Confident91.5Very high106 Ų10653.6 Ų53.669%0.68829%0.286SS*.PPolyproline II helixtrans-70150.8169.231-34.1000110T203 H605P201-T203 PolarHBondContact O-N 3.02Å; P201-H605 PolarHBondContact O-CD2 3.12Å; P201-H605 PolarHBondContact O-NE2 3.03Å
202F89Confident91.3Very high33 Ų3354.9 Ų54.915%0.14529%0.292CS..PPolyproline II helixtrans-63.9129169.4-68.2-80.5000109.5P204 C572 T574 H605 L607 Q611 F615F202-P204 WeakPolarHBondContact O-CD 3.5Å; F202-C572 HydrophobicContact CB-CB 4.5Å; F202-C572 HydrophobicContact CD1-CB 4.28Å; F202-T574 HydrophobicContact CD1-CG2 4.11Å; F202-T574 HydrophobicContact CE1-CG2 3.34Å; F202-T574 HydrophobicContact CZ-CG2 4.07Å; F202-H605 HydrophobicContact CD1-CB 4.1Å; F202-H605 AromaticContact CD1-CD2 3.72Å; F202-H605 AromaticContact CD1-CG 3.79Å; F202-H605 HydrophobicContact CE1-CB 3.38Å; F202-H605 AromaticContact CE1-CD2 3.94Å; F202-H605 AromaticContact CE1-CG 3.53Å; F202-H605 HydrophobicContact CE2-CB 3.92Å; F202-H605 AromaticContact CG-CD2 3.97Å; F202-H605 HydrophobicContact CZ-CB 3.29Å; F202-H605 AromaticContact CZ-CG 3.94Å; F202-L607 HydrophobicContact CZ-CD1 4.16Å; F202-Q611 HydrophobicContact CD2-CG 4.38Å; F202-Q611 HydrophobicContact CE2-CG 3.85Å; F202-F615 HydrophobicContact CB-CZ 4.35Å; F202-F615 HydrophobicContact CD1-CE2 4.33Å; F202-F615 HydrophobicContact CD1-CZ 4.04Å; F202-F615 HydrophobicContact CD2-CE2 4.43Å; F202-F615 AromaticContact CD2-CZ 3.93Å; F202-F615 HydrophobicContact CD2-CZ 3.93Å; F202-F615 HydrophobicContact CE1-CE2 4.17Å; F202-F615 HydrophobicContact CE1-CZ 4.32Å; F202-F615 HydrophobicContact CE2-CE2 4.27Å; F202-F615 HydrophobicContact CE2-CZ 4.21Å; F202-F615 HydrophobicContact CG-CE2 4.46Å; F202-F615 AromaticContact CG-CZ 3.83Å; F202-F615 HydrophobicContact CG-CZ 3.83Å; F202-F615 HydrophobicContact CZ-CE2 4.12Å; F202-F615 HydrophobicContact CZ-CZ 4.39Å
203T82.9Confident90.9Very high62 Ų6258.2 Ų58.238%0.3831%0.313SS..PPolyproline II helixtrans-70.9119.1174.7-52.10000108.6P201P201-T203 PolarHBondContact O-N 3.02Å
204P78.7Confident90.4Very high87 Ų8757.1 Ų57.157%0.56531%0.307SS*.PPolyproline II helixtrans-64.7142.2174.127.9-33.1000109.2F202 Q206F202-P204 WeakPolarHBondContact O-CD 3.5Å; P204-Q206 PolarHBondContact O-N 3.17Å
205V82.3Confident89.7Confident52 Ų5262.3 Ų62.332%0.31533%0.331SS..PPolyproline II helixtrans-64.3130175.9176.30000109.5A225 E569V205-A225 HydrophobicContact CG1-CB 3.6Å; V205-A225 WeakPolarHBondContact CG1-O 3.45Å; V205-E569 HydrophobicContact CB-CG 4.3Å; V205-E569 HydrophobicContact CG1-CG 4.11Å; V205-E569 HydrophobicContact CG2-CG 4.12Å
206Q84Confident89Confident120 Ų12065.2 Ų65.256%0.56136%0.362SS*.  trans-117.6145.8179.2-64.3-178.63000110.2P204 V208 S228P204-Q206 PolarHBondContact O-N 3.17Å; Q206-V208 PolarHBondContact O-N 3.39Å; Q206-S228 VanDerWaalsContact O-CB 3.29Å; Q206-S228 WeakPolarHBondContact O-CB 3.4Å
207I85.7Confident88.5Confident134 Ų13471 Ų7169%0.68739%0.389SS*.  trans-74.7109.3168.1-59.7174.9000106.9N222I207-N222 HydrophobicContact CG2-CB 4.2Å
208V90.6Very high88.1Confident39 Ų3974 Ų7424%0.23640%0.403CS..  trans-96.4113.5178.3-179.70000108.5Q206 M210 N222 I223 V231Q206-V208 PolarHBondContact O-N 3.39Å; V208-M210 HydrophobicContact CG1-SD 4.01Å; V208-N222 WeakPolarHBondContact O-CA 3.49Å; V208-I223 HydrophobicContact CB-CB 4.35Å; V208-I223 PolarHBondContact O-N 2.98Å; V208-V231 HydrophobicContact CG1-CG2 4.42Å
209Q93.1Very high87.9Confident144 Ų14470.5 Ų70.567%0.67339%0.39SS*.EExtended strand (participates in β ladder)trans-81.1133169.9-78.7179.4-13.500109.9Y221 N222 L295Q209-Y221 WeakPolarHBondContact CA-O 3.39Å; Q209-N222 WeakPolarHBondContact CG-OD1 3.39Å; Q209-L295 HydrophobicContact CG-CD1 4.47Å
210M92.6Very high87.8Confident27 Ų2772.9 Ų72.913%0.13340%0.4CS..EExtended strand (participates in β ladder)trans-115.4145.6179.4-64.5-66.5-66.500110.1V208 H220 Y221 I223 L270V208-M210 HydrophobicContact CG1-SD 4.01Å; M210-H220 WeakPolarHBondContact O-CA 3.39Å; M210-Y221 HydrophobicContact CB-CD1 3.83Å; M210-Y221 HydrophobicContact CB-CD2 4.27Å; M210-Y221 HydrophobicContact CB-CE1 3.36Å; M210-Y221 HydrophobicContact CB-CE2 3.88Å; M210-Y221 HydrophobicContact CB-CG 4.27Å; M210-Y221 HydrophobicContact CG-CE1 4.23Å; M210-Y221 HydrophobicContact CG-CE2 3.91Å; M210-Y221 PolarHBondContact N-O 2.63Å; M210-Y221 PolarHBondContact O-N 2.98Å; M210-Y221 VanDerWaalsContact O-N 3.14Å; M210-I223 HydrophobicContact CG-CD1 3.98Å; M210-I223 HydrophobicContact CG-CG1 3.33Å; M210-I223 HydrophobicContact SD-CG1 4.05Å; M210-L270 HydrophobicContact CE-CD1 4.03Å
211E92.8Very high88Confident133 Ų13371.8 Ų71.862%0.62139%0.39SS*.EExtended strand (participates in β ladder)trans-126.5119.8169.6-178.8178.6110.600107.6I218 V219 H220E211-I218 HydrophobicContact CG-CG2 3.61Å; E211-V219 WeakPolarHBondContact CA-O 3.25Å; E211-H220 IonicContact OE2-CD2 2.99Å; E211-H220 IonicContact OE2-CE1 3.91Å; E211-H220 IonicContact OE2-NE2 3.07Å; E211-H220 PolarHBondContact OE2-NE2 3.29Å
212E90.8Very high88.2Confident28 Ų2869.6 Ų69.613%0.13137%0.373CS..EExtended strand (participates in β ladder)trans-137.6156.9179.9-62.4-166.5144.100110.6V214 I218 V219 Y221 P269 L270 L271E212-V214 HydrophobicContact CB-CG2 4.47Å; E212-I218 WeakPolarHBondContact O-CA 3.33Å; E212-V219 HydrophobicContact CB-CG2 4.48Å; E212-V219 PolarHBondContact N-O 3.5Å; E212-V219 VanDerWaalsContact N-O 3.13Å; E212-V219 WeakPolarHBondContact O-CG2 3.35Å; E212-V219 PolarHBondContact O-N 3.15Å; E212-Y221 HydrophobicContact CG-CE1 4.2Å; E212-Y221 PolarHBondContact OE2-OH 2.9Å; E212-P269 HydrophobicContact CB-CB 4.42Å; E212-L270 VanDerWaalsContact CD-N 3.32Å; E212-L270 WeakPolarHBondContact OE1-CB 3.47Å; E212-L270 VanDerWaalsContact OE1-CG 3.31Å; E212-L270 WeakPolarHBondContact OE1-CG 3.17Å; E212-L270 PolarHBondContact OE1-N 3.29Å; E212-L270 PolarHBondContact OE2-N 3.28Å; E212-L271 PolarHBondContact OE2-N 3.08Å; E212-L271 VanDerWaalsContact OE2-N 3.08Å
213V89.6Confident88.4Confident90 Ų9068.2 Ų68.255%0.54537%0.367SS..EExtended strand (participates in β ladder)trans-96.9116.7170.1-178.20000108.3E217 I218V213-E217 CarbonylContact C-O 3.57Å; V213-E217 VanDerWaalsContact CA-O 3.32Å; V213-E217 WeakPolarHBondContact CA-O 3.47Å; V213-I218 HydrophobicContact CG2-CG1 4.15Å
214V86.9Confident88.9Confident3 Ų366.6 Ų66.62%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-123124.3178-175.10000108.2E212 G216 E217 V219 P269 L271 Y350E212-V214 HydrophobicContact CB-CG2 4.47Å; V214-G216 PolarHBondContact O-N 3.41Å; V214-G216 VanDerWaalsContact O-N 3.08Å; V214-E217 PolarHBondContact N-O 3.34Å; V214-E217 PolarHBondContact O-N 3.02Å; V214-V219 HydrophobicContact CB-CG2 4.31Å; V214-V219 HydrophobicContact CG2-CG2 3.71Å; V214-P269 HydrophobicContact CG2-CB 4.03Å; V214-L271 HydrophobicContact CG2-CB 3.86Å; V214-Y350 HydrophobicContact CB-CE1 4.16Å; V214-Y350 HydrophobicContact CG1-CD1 4.18Å; V214-Y350 HydrophobicContact CG1-CE1 3.77Å
215E83.5Confident89.6Confident109 Ų10963.2 Ų63.251%0.50934%0.337SS..THydrogen-bonded Turntrans51.532.3-177.3-62-175103.800113.8S273E215-S273 WeakPolarHBondContact OE2-CB 3.31Å; E215-S273 PolarHBondContact OE2-OG 3.33Å
216G83.5Confident90.1Very high63 Ų6361.7 Ų61.765%0.64933%0.327SS*.THydrogen-bonded Turntrans88.4-5.3179.300000115.3V214V214-G216 PolarHBondContact O-N 3.41Å; V214-G216 VanDerWaalsContact O-N 3.08Å
217E86.8Confident90.5Very high121 Ų12156 Ų5657%0.56530%0.3SS*.EExtended strand (participates in β ladder)trans-105.4140179.8-67.5-62.9143.500111.7V213 V214 V219V213-E217 CarbonylContact C-O 3.57Å; V213-E217 VanDerWaalsContact CA-O 3.32Å; V213-E217 WeakPolarHBondContact CA-O 3.47Å; V214-E217 PolarHBondContact N-O 3.34Å; V214-E217 PolarHBondContact O-N 3.02Å; E217-V219 PolarHBondContact O-N 3.28Å
218I89.8Confident90.8Very high84 Ų8450.6 Ų50.643%0.43127%0.274SS..EExtended strand (participates in β ladder)trans-78.6121.1172.2-59.4173.3000108.6E211 E212 V213E211-I218 HydrophobicContact CG-CG2 3.61Å; E212-I218 WeakPolarHBondContact O-CA 3.33Å; V213-I218 HydrophobicContact CG2-CG1 4.15Å
219V90.8Very high90.7Very high8 Ų851 Ų515%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-116.4143.9178.7-59.20000111.1E211 E212 V214 E217 L271 L294 Y350E211-V219 WeakPolarHBondContact CA-O 3.25Å; E212-V219 HydrophobicContact CB-CG2 4.48Å; E212-V219 PolarHBondContact N-O 3.5Å; E212-V219 VanDerWaalsContact N-O 3.13Å; E212-V219 WeakPolarHBondContact O-CG2 3.35Å; E212-V219 PolarHBondContact O-N 3.15Å; V214-V219 HydrophobicContact CB-CG2 4.31Å; V214-V219 HydrophobicContact CG2-CG2 3.71Å; E217-V219 PolarHBondContact O-N 3.28Å; V219-L271 HydrophobicContact CG2-CD1 4Å; V219-L294 HydrophobicContact CB-CD1 3.91Å; V219-L294 HydrophobicContact CB-CD2 3.88Å; V219-L294 HydrophobicContact CG1-CD1 3.68Å; V219-L294 HydrophobicContact CG1-CD2 4.44Å; V219-L294 HydrophobicContact CG2-CD2 4.33Å; V219-Y350 HydrophobicContact CG1-CE1 4.45Å
220H92.8Very high90.7Very high64 Ų6445.3 Ų45.330%0.29625%0.248SC..EExtended strand (participates in β ladder)trans-117.8134.8177.5-6389.8000109.9M210 E211 L294 L295M210-H220 WeakPolarHBondContact O-CA 3.39Å; E211-H220 IonicContact OE2-CD2 2.99Å; E211-H220 IonicContact OE2-CE1 3.91Å; E211-H220 IonicContact OE2-NE2 3.07Å; E211-H220 PolarHBondContact OE2-NE2 3.29Å; H220-L294 CarbonylContact O-C 3.59Å; H220-L294 WeakPolarHBondContact O-CA 3.35Å; H220-L295 HydrophobicContact CB-CB 4.19Å; H220-L295 HydrophobicContact CB-CD1 4.39Å; H220-L295 PolarHBondContact O-N 3.25Å
221Y93.1Very high90.6Very high0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-156.6165179.667.6-80.1000112.2Q209 M210 E212 I223 L271 I292 L352Q209-Y221 WeakPolarHBondContact CA-O 3.39Å; M210-Y221 HydrophobicContact CB-CD1 3.83Å; M210-Y221 HydrophobicContact CB-CD2 4.27Å; M210-Y221 HydrophobicContact CB-CE1 3.36Å; M210-Y221 HydrophobicContact CB-CE2 3.88Å; M210-Y221 HydrophobicContact CB-CG 4.27Å; M210-Y221 HydrophobicContact CG-CE1 4.23Å; M210-Y221 HydrophobicContact CG-CE2 3.91Å; M210-Y221 PolarHBondContact N-O 2.63Å; M210-Y221 PolarHBondContact O-N 2.98Å; M210-Y221 VanDerWaalsContact O-N 3.14Å; E212-Y221 HydrophobicContact CG-CE1 4.2Å; E212-Y221 PolarHBondContact OE2-OH 2.9Å; Y221-I223 HydrophobicContact CE2-CD1 3.61Å; Y221-I223 HydrophobicContact CE2-CG1 4.03Å; Y221-L271 HydrophobicContact CD1-CD1 3.33Å; Y221-L271 HydrophobicContact CD1-CG 4.18Å; Y221-L271 HydrophobicContact CD2-CD1 4.3Å; Y221-L271 HydrophobicContact CE1-CD1 3.27Å; Y221-L271 HydrophobicContact CE1-CG 3.66Å; Y221-L271 HydrophobicContact CE2-CD1 4.24Å; Y221-L271 HydrophobicContact CE2-CD2 4.3Å; Y221-L271 HydrophobicContact CE2-CG 4.13Å; Y221-L271 HydrophobicContact CG-CD1 3.86Å; Y221-I292 HydrophobicContact CD2-CG2 3.51Å; Y221-I292 HydrophobicContact CE2-CG2 4.38Å; Y221-I292 HydrophobicContact CG-CG2 3.74Å; Y221-L352 HydrophobicContact CE2-CD2 4.18Å
222N93.1Very high90.3Very high61 Ų6143.7 Ų43.733%0.32625%0.253SS..EExtended strand (participates in β ladder)trans-98.1131.4170.9-66.5-40.5000109.7I207 V208 Q209I207-N222 HydrophobicContact CG2-CB 4.2Å; V208-N222 WeakPolarHBondContact O-CA 3.49Å; Q209-N222 WeakPolarHBondContact CG-OD1 3.39Å
223I93.4Very high90.3Very high4 Ų444.9 Ų44.92%0.02126%0.256CS..PPolyproline II helixtrans-66.4136.7167.7-71.8-77.4000108.5V208 M210 Y221 A225 L227 V231 L352V208-I223 HydrophobicContact CB-CB 4.35Å; V208-I223 PolarHBondContact O-N 2.98Å; M210-I223 HydrophobicContact CG-CD1 3.98Å; M210-I223 HydrophobicContact CG-CG1 3.33Å; M210-I223 HydrophobicContact SD-CG1 4.05Å; Y221-I223 HydrophobicContact CE2-CD1 3.61Å; Y221-I223 HydrophobicContact CE2-CG1 4.03Å; I223-A225 PolarHBondContact O-N 3.47Å; I223-L227 HydrophobicContact CG2-CB 3.71Å; I223-V231 HydrophobicContact CD1-CG1 3.94Å; I223-V231 HydrophobicContact CG1-CG1 4.29Å; I223-V231 HydrophobicContact CG2-CG1 4.44Å; I223-L352 HydrophobicContact CD1-CD1 4.49Å; I223-L352 HydrophobicContact CD1-CD2 3.93Å
224P93.6Very high90.5Very high27 Ų2742.5 Ų42.518%0.17525%0.25CS..PPolyproline II helixtrans-49.4132.3171.4-27.735.5000110.3E226 L227 S228 Y290 I292 L352P224-E226 VanDerWaalsContact C-OE2 3.24Å; P224-E226 VanDerWaalsContact CB-CD 3.44Å; P224-E226 VanDerWaalsContact CB-OE1 3.3Å; P224-E226 WeakPolarHBondContact CB-OE1 3.47Å; P224-E226 WeakPolarHBondContact CB-OE2 3.32Å; P224-E226 PolarHBondContact O-N 3.23Å; P224-E226 VanDerWaalsContact O-N 3.14Å; P224-L227 HydrophobicContact CB-CB 4.47Å; P224-L227 HydrophobicContact CB-CD1 4.14Å; P224-L227 HydrophobicContact CB-CG 4.22Å; P224-L227 HydrophobicContact CG-CD1 4.05Å; P224-L227 WeakPolarHBondContact O-CA 3.21Å; P224-L227 WeakPolarHBondContact O-CB 3.41Å; P224-L227 PolarHBondContact O-N 2.84Å; P224-S228 PolarHBondContact O-N 3.04Å; P224-Y290 HydrophobicContact CG-CD1 4.16Å; P224-I292 HydrophobicContact CG-CD1 3.8Å; P224-L352 HydrophobicContact CG-CD1 4.36Å
225A92.1Very high90.9Very high17 Ų1742.8 Ų42.814%0.1425%0.251CS..G310 helixtrans-56-38.4-167.600000112.3V205 I223 L227 S228 E569V205-A225 HydrophobicContact CG1-CB 3.6Å; V205-A225 WeakPolarHBondContact CG1-O 3.45Å; I223-A225 PolarHBondContact O-N 3.47Å; A225-L227 PolarHBondContact O-N 3.43Å; A225-S228 WeakPolarHBondContact O-CB 3.29Å; A225-S228 PolarHBondContact O-N 3.44Å; A225-S228 PolarHBondContact O-OG 3.11Å; A225-E569 HydrophobicContact CB-CG 4.38Å; A225-E569 WeakPolarHBondContact CB-OE2 3.16Å
226E92.8Very high91.4Very high19 Ų1939.2 Ų39.29%0.08924%0.235CC..G310 helixtrans-64.6-17.6175.176.9-76.3-167.200114.7P224 Y230 Y290 A565 R568P224-E226 VanDerWaalsContact C-OE2 3.24Å; P224-E226 VanDerWaalsContact CB-CD 3.44Å; P224-E226 VanDerWaalsContact CB-OE1 3.3Å; P224-E226 WeakPolarHBondContact CB-OE1 3.47Å; P224-E226 WeakPolarHBondContact CB-OE2 3.32Å; P224-E226 PolarHBondContact O-N 3.23Å; P224-E226 VanDerWaalsContact O-N 3.14Å; E226-Y230 WeakPolarHBondContact O-CE2 3.37Å; E226-Y290 WeakPolarHBondContact OE1-CE1 3.49Å; E226-A565 HydrophobicContact CG-CB 4.13Å; E226-R568 HydrophobicContact CB-CB 3.82Å
227L94.1Very high91.8Very high0 Ų038.8 Ų38.80%022%0.222CC..G310 helixtrans-100.1-5.2179.8-62.2-177.4000113.6I223 P224 A225 D229 Y230 Y290 L352 F412 P423I223-L227 HydrophobicContact CG2-CB 3.71Å; P224-L227 HydrophobicContact CB-CB 4.47Å; P224-L227 HydrophobicContact CB-CD1 4.14Å; P224-L227 HydrophobicContact CB-CG 4.22Å; P224-L227 HydrophobicContact CG-CD1 4.05Å; P224-L227 WeakPolarHBondContact O-CA 3.21Å; P224-L227 WeakPolarHBondContact O-CB 3.41Å; P224-L227 PolarHBondContact O-N 2.84Å; A225-L227 PolarHBondContact O-N 3.43Å; L227-D229 PolarHBondContact O-N 2.98Å; L227-D229 VanDerWaalsContact O-N 3.1Å; L227-Y230 HydrophobicContact CD2-CD2 4.3Å; L227-Y230 PolarHBondContact O-N 3.33Å; L227-Y290 HydrophobicContact CD1-CD1 4.26Å; L227-Y290 HydrophobicContact CD1-CD2 3.89Å; L227-Y290 HydrophobicContact CD1-CE1 4.15Å; L227-Y290 HydrophobicContact CD1-CE2 3.73Å; L227-Y290 HydrophobicContact CD1-CG 4.14Å; L227-Y290 HydrophobicContact CD2-CE2 4.29Å; L227-Y290 HydrophobicContact CG-CE2 4.46Å; L227-L352 HydrophobicContact CD1-CD1 3.48Å; L227-L352 VanDerWaalsContact CD1-CD1 3.48Å; L227-F412 HydrophobicContact CD1-CD1 3.81Å; L227-F412 HydrophobicContact CD1-CE1 4.47Å; L227-F412 HydrophobicContact CD1-CG 4.42Å; L227-F412 HydrophobicContact CD2-CD1 4.25Å; L227-F412 HydrophobicContact CG-CD1 4.5Å; L227-P423 HydrophobicContact CD2-CB 3.94Å; L227-P423 HydrophobicContact CD2-CG 4.46Å
228S90.8Very high92Very high21 Ų2137.3 Ų37.315%0.14723%0.226CC..G310 helixtrans-54.3-32.9-172.954.10000114.6Q206 P224 A225 V231Q206-S228 VanDerWaalsContact O-CB 3.29Å; Q206-S228 WeakPolarHBondContact O-CB 3.4Å; P224-S228 PolarHBondContact O-N 3.04Å; A225-S228 WeakPolarHBondContact O-CB 3.29Å; A225-S228 PolarHBondContact O-N 3.44Å; A225-S228 PolarHBondContact O-OG 3.11Å; S228-V231 WeakPolarHBondContact O-CG2 3.32Å
229D89.7Confident92Very high49 Ų4939.8 Ų39.826%0.26224%0.24SC..G310 helixtrans-85.9-6.6-178.5-155.561.5000114.2L227 R233 H518L227-D229 PolarHBondContact O-N 2.98Å; L227-D229 VanDerWaalsContact O-N 3.1Å; D229-R233 WeakPolarHBondContact O-CD 3.48Å; D229-R233 PolarHBondContact O-NH1 3.4Å; D229-R233 IonicContact OD2-NH1 3.43Å; D229-R233 PolarHBondContact OD2-NH1 3.2Å; D229-R233 VanDerWaalsContact OD2-NH1 3.16Å; D229-H518 VanDerWaalsContact CG-CE1 3.5Å; D229-H518 IonicContact OD1-CE1 3.47Å; D229-H518 PolarHBondContact OD1-CE1 2.9Å; D229-H518 IonicContact OD1-ND1 3.92Å; D229-H518 IonicContact OD2-CE1 3.87Å; D229-H518 PolarHBondContact OD2-CE1 3.23Å; D229-H518 VanDerWaalsContact OD2-CE1 3.25Å; D229-H518 IonicContact OD2-ND1 2.98Å
230Y92Very high92.2Very high24 Ų2440.2 Ų40.29%0.09424%0.243CC..G310 helixtrans-99.1-0.8-175.1-60.7-83000114E226 L227 P423 A424 W512 W516E226-Y230 WeakPolarHBondContact O-CE2 3.37Å; L227-Y230 HydrophobicContact CD2-CD2 4.3Å; L227-Y230 PolarHBondContact O-N 3.33Å; Y230-P423 HydrophobicContact CE2-CG 4.46Å; Y230-A424 HydrophobicContact CD1-CB 3.77Å; Y230-A424 HydrophobicContact CD2-CB 4.46Å; Y230-A424 HydrophobicContact CG-CB 3.68Å; Y230-W512 HydrophobicContact CE1-CH2 4.3Å; Y230-W512 AromaticContact CE1-CZ3 3.91Å; Y230-W512 HydrophobicContact CE1-CZ3 3.91Å; Y230-W516 AromaticContact CD1-CD2 3.41Å; Y230-W516 HydrophobicContact CD1-CD2 3.41Å; Y230-W516 VanDerWaalsContact CD1-CD2 3.41Å; Y230-W516 AromaticContact CD1-CE2 3.69Å; Y230-W516 AromaticContact CD1-CE3 3.47Å; Y230-W516 HydrophobicContact CD1-CE3 3.47Å; Y230-W516 VanDerWaalsContact CD1-CE3 3.47Å; Y230-W516 AromaticContact CD1-CG 3.93Å; Y230-W516 HydrophobicContact CD1-CG 3.93Å; Y230-W516 HydrophobicContact CD1-CH2 4Å; Y230-W516 AromaticContact CD1-CZ2 3.99Å; Y230-W516 HydrophobicContact CD1-CZ2 3.99Å; Y230-W516 AromaticContact CD1-CZ3 3.77Å; Y230-W516 HydrophobicContact CD1-CZ3 3.77Å; Y230-W516 HydrophobicContact CE1-CB 4.2Å; Y230-W516 AromaticContact CE1-CD2 3.74Å; Y230-W516 HydrophobicContact CE1-CD2 3.74Å; Y230-W516 HydrophobicContact CE1-CE3 4.18Å; Y230-W516 AromaticContact CE1-CG 3.72Å; Y230-W516 HydrophobicContact CE1-CG 3.72Å; Y230-W516 HydrophobicContact CG-CE3 4.28Å; Y230-W516 HydrophobicContact CG-CZ3 4.32Å; Y230-W516 WeakPolarHBondContact O-CZ3 3.31Å
231V90.4Very high92.4Very high12 Ų1239.7 Ų39.77%0.07324%0.242CC..SBendtrans-101.3153.7178.3-63.60000111.3V208 I223 S228 R233 L270 F412V208-V231 HydrophobicContact CG1-CG2 4.42Å; I223-V231 HydrophobicContact CD1-CG1 3.94Å; I223-V231 HydrophobicContact CG1-CG1 4.29Å; I223-V231 HydrophobicContact CG2-CG1 4.44Å; S228-V231 WeakPolarHBondContact O-CG2 3.32Å; V231-R233 VanDerWaalsContact C-N 3.26Å; V231-R233 PolarHBondContact O-N 3.23Å; V231-R233 VanDerWaalsContact O-N 3.12Å; V231-L270 HydrophobicContact CB-CD1 4.48Å; V231-L270 HydrophobicContact CG1-CD1 3.84Å; V231-F412 HydrophobicContact CG1-CE1 4.35Å; V231-F412 HydrophobicContact CG1-CZ 3.95Å
232S86.4Confident92.6Very high113 Ų11340 Ų4079%0.7924%0.243SC*.SBendtrans57.629.3170.3-55.60000116
233R91.5Very high92.8Very high54 Ų5437 Ų3720%0.20423%0.227CC..  trans-85.2-12-177.4-63.5-65.5-67.7-87.40.5115.5D229 V231 F235 W516 S517 H518D229-R233 WeakPolarHBondContact O-CD 3.48Å; D229-R233 PolarHBondContact O-NH1 3.4Å; D229-R233 IonicContact OD2-NH1 3.43Å; D229-R233 PolarHBondContact OD2-NH1 3.2Å; D229-R233 VanDerWaalsContact OD2-NH1 3.16Å; V231-R233 VanDerWaalsContact C-N 3.26Å; V231-R233 PolarHBondContact O-N 3.23Å; V231-R233 VanDerWaalsContact O-N 3.12Å; R233-F235 VanDerWaalsContact C-N 3.27Å; R233-F235 HydrophobicContact CB-CD1 3.63Å; R233-F235 HydrophobicContact CB-CE1 3.46Å; R233-F235 VanDerWaalsContact CB-CE1 3.46Å; R233-F235 HydrophobicContact CB-CG 4.49Å; R233-F235 HydrophobicContact CB-CZ 4.16Å; R233-F235 HydrophobicContact CG-CE1 4.21Å; R233-F235 WeakPolarHBondContact O-CD1 3.49Å; R233-F235 PolarHBondContact O-N 2.81Å; R233-W516 HydrophobicContact CB-CZ3 4.36Å; R233-W516 HydrophobicContact CG-CE3 4.14Å; R233-W516 HydrophobicContact CG-CZ3 3.88Å; R233-W516 PolarHBondContact NH1-O 3.37Å; R233-W516 PolarHBondContact NH2-O 3.38Å; R233-S517 PolarHBondContact NH2-O 3.14Å; R233-H518 PolarHBondContact NE-NE2 3.45Å; R233-H518 PolarHBondContact NH1-CE1 3.35Å
234G92.6Very high93.1Very high40 Ų4036.9 Ų36.941%0.41223%0.226SC..  trans63.424.3174.800000115.3L236 S237G234-L236 PolarHBondContact O-N 3.37Å; G234-S237 WeakPolarHBondContact O-CB 3.47Å; G234-S237 PolarHBondContact O-N 2.89Å; G234-S237 PolarHBondContact O-OG 2.74Å; G234-S237 VanDerWaalsContact O-OG 3.08Å
235F95.7Very high93.3Very high8 Ų836.6 Ų36.64%0.03522%0.223CC..THydrogen-bonded Turntrans-58.7-34.3-175-74.58.7000112.8R233 S240 H242 V244 K245 H426 L515 W516R233-F235 VanDerWaalsContact C-N 3.27Å; R233-F235 HydrophobicContact CB-CD1 3.63Å; R233-F235 HydrophobicContact CB-CE1 3.46Å; R233-F235 VanDerWaalsContact CB-CE1 3.46Å; R233-F235 HydrophobicContact CB-CG 4.49Å; R233-F235 HydrophobicContact CB-CZ 4.16Å; R233-F235 HydrophobicContact CG-CE1 4.21Å; R233-F235 WeakPolarHBondContact O-CD1 3.49Å; R233-F235 PolarHBondContact O-N 2.81Å; F235-S240 WeakPolarHBondContact O-CB 3.45Å; F235-S240 PolarHBondContact O-OG 3.25Å; F235-H242 HydrophobicContact CB-CB 4.3Å; F235-H242 AromaticContact CD1-CD2 3.66Å; F235-H242 AromaticContact CD1-CG 3.94Å; F235-H242 AromaticContact CD1-NE2 3.98Å; F235-H242 AromaticContact CD2-CE1 3.29Å; F235-H242 WeakPolarHBondContact CD2-CE1 3.39Å; F235-H242 AromaticContact CD2-CG 3.96Å; F235-H242 AromaticContact CD2-ND1 3.49Å; F235-H242 WeakPolarHBondContact CD2-ND1 3.43Å; F235-H242 AromaticContact CD2-NE2 3.68Å; F235-H242 AromaticContact CE1-CD2 3.69Å; F235-H242 AromaticContact CE1-NE2 3.7Å; F235-H242 AromaticContact CE2-CE1 3.32Å; F235-H242 WeakPolarHBondContact CE2-CE1 3.2Å; F235-H242 AromaticContact CE2-ND1 4Å; F235-H242 AromaticContact CE2-NE2 3.41Å; F235-H242 WeakPolarHBondContact CE2-NE2 3.5Å; F235-H242 HydrophobicContact CG-CB 4.42Å; F235-H242 AromaticContact CG-CD2 3.84Å; F235-H242 AromaticContact CG-CE1 3.85Å; F235-H242 AromaticContact CG-CG 3.71Å; F235-H242 AromaticContact CG-ND1 3.7Å; F235-H242 AromaticContact CG-NE2 3.99Å; F235-H242 AromaticContact CZ-CD2 3.94Å; F235-H242 AromaticContact CZ-CE1 3.85Å; F235-H242 AromaticContact CZ-NE2 3.43Å; F235-H242 WeakPolarHBondContact CZ-NE2 3.44Å; F235-V244 HydrophobicContact CD2-CB 4.42Å; F235-V244 HydrophobicContact CD2-CG2 4.17Å; F235-K245 VanDerWaalsContact O-CB 3.26Å; F235-K245 WeakPolarHBondContact O-CB 3.36Å; F235-H426 AromaticContact CD2-CE1 3.12Å; F235-H426 WeakPolarHBondContact CD2-CE1 3.43Å; F235-H426 AromaticContact CD2-ND1 3.74Å; F235-H426 AromaticContact CD2-NE2 3.83Å; F235-H426 AromaticContact CE2-CE1 3.81Å; F235-H426 AromaticContact CG-CE1 3.71Å; F235-H426 AromaticContact CG-NE2 3.95Å; F235-L515 WeakPolarHBondContact CZ-O 3.33Å; F235-W516 AromaticContact CE2-CD2 3.89Å; F235-W516 HydrophobicContact CE2-CD2 3.89Å; F235-W516 AromaticContact CE2-CE3 3.86Å; F235-W516 HydrophobicContact CE2-CE3 3.86Å; F235-W516 HydrophobicContact CE2-CH2 4.23Å; F235-W516 HydrophobicContact CE2-CZ2 4.21Å; F235-W516 HydrophobicContact CE2-CZ3 4.03Å; F235-W516 HydrophobicContact CZ-CD2 4.03Å; F235-W516 AromaticContact CZ-CE3 3.72Å; F235-W516 HydrophobicContact CZ-CE3 3.72Å; F235-W516 HydrophobicContact CZ-CZ3 4.1Å
236L94.3Very high93.6Very high34 Ų3436.5 Ų36.518%0.17822%0.219CC..THydrogen-bonded Turntrans-98.99.2-175.5-62.7178.4000114.2G234 V244 K245 Q248 H426 L499G234-L236 PolarHBondContact O-N 3.37Å; L236-V244 HydrophobicContact CD2-CG1 3.85Å; L236-K245 HydrophobicContact CD2-CB 4.38Å; L236-Q248 HydrophobicContact CD2-CB 4.4Å; L236-H426 HydrophobicContact CD1-CB 4.3Å; L236-L499 HydrophobicContact CD1-CD1 4.39Å; L236-L499 HydrophobicContact CD2-CD1 4.04Å
237S92.9Very high93.8Very high54 Ų5435.6 Ų35.638%0.37822%0.215SC..SBendtrans-56.9153174.7-610000111.7G234 D239 S240G234-S237 WeakPolarHBondContact O-CB 3.47Å; G234-S237 PolarHBondContact O-N 2.89Å; G234-S237 PolarHBondContact O-OG 2.74Å; G234-S237 VanDerWaalsContact O-OG 3.08Å; S237-D239 VanDerWaalsContact C-N 3.28Å; S237-D239 PolarHBondContact O-N 2.97Å; S237-S240 WeakPolarHBondContact O-CB 3.38Å; S237-S240 PolarHBondContact O-N 3.39Å
238S89.6Confident94Very high91 Ų9136 Ų3664%0.63622%0.217SC*.THydrogen-bonded Turntrans-61.5-33.2-173.3-590000114
239D90.8Very high94.3Very high136 Ų13637.1 Ų37.173%0.72722%0.221SC*.THydrogen-bonded Turntrans-93.50.217863.5-31.3000113.5S237 I241S237-D239 VanDerWaalsContact C-N 3.28Å; S237-D239 PolarHBondContact O-N 2.97Å; D239-I241 PolarHBondContact O-N 2.91Å
240S94.8Very high94.7Very high17 Ų1736.8 Ų36.812%0.11922%0.218CC..  trans-62.9136.6-178.6178.60000111.5F235 S237 H242 R529F235-S240 WeakPolarHBondContact O-CB 3.45Å; F235-S240 PolarHBondContact O-OG 3.25Å; S237-S240 WeakPolarHBondContact O-CB 3.38Å; S237-S240 PolarHBondContact O-N 3.39Å; S240-H242 VanDerWaalsContact OG-CB 3.22Å; S240-H242 WeakPolarHBondContact OG-CB 3.45Å; S240-H242 PolarHBondContact OG-N 3.31Å; S240-H242 VanDerWaalsContact OG-N 3.08Å; S240-R529 PolarHBondContact O-NH1 3.42Å
241I96.3Very high95Very high52 Ų5235.7 Ų35.727%0.26721%0.214SC..  trans-100.67.417160.2167.1000111.7D239 F526 R529D239-I241 PolarHBondContact O-N 2.91Å; I241-F526 WeakPolarHBondContact O-CB 3.37Å; I241-R529 HydrophobicContact CG2-CG 4.45Å
242H97.9Very high95.3Very high6 Ų636.5 Ų36.53%0.02822%0.217CC..  trans-63.3138.4-177.4-164.5-86.6000110.7F235 S240 V244 K245 L246 L515 F522F235-H242 HydrophobicContact CB-CB 4.3Å; F235-H242 AromaticContact CD1-CD2 3.66Å; F235-H242 AromaticContact CD1-CG 3.94Å; F235-H242 AromaticContact CD1-NE2 3.98Å; F235-H242 AromaticContact CD2-CE1 3.29Å; F235-H242 WeakPolarHBondContact CD2-CE1 3.39Å; F235-H242 AromaticContact CD2-CG 3.96Å; F235-H242 AromaticContact CD2-ND1 3.49Å; F235-H242 WeakPolarHBondContact CD2-ND1 3.43Å; F235-H242 AromaticContact CD2-NE2 3.68Å; F235-H242 AromaticContact CE1-CD2 3.69Å; F235-H242 AromaticContact CE1-NE2 3.7Å; F235-H242 AromaticContact CE2-CE1 3.32Å; F235-H242 WeakPolarHBondContact CE2-CE1 3.2Å; F235-H242 AromaticContact CE2-ND1 4Å; F235-H242 AromaticContact CE2-NE2 3.41Å; F235-H242 WeakPolarHBondContact CE2-NE2 3.5Å; F235-H242 HydrophobicContact CG-CB 4.42Å; F235-H242 AromaticContact CG-CD2 3.84Å; F235-H242 AromaticContact CG-CE1 3.85Å; F235-H242 AromaticContact CG-CG 3.71Å; F235-H242 AromaticContact CG-ND1 3.7Å; F235-H242 AromaticContact CG-NE2 3.99Å; F235-H242 AromaticContact CZ-CD2 3.94Å; F235-H242 AromaticContact CZ-CE1 3.85Å; F235-H242 AromaticContact CZ-NE2 3.43Å; F235-H242 WeakPolarHBondContact CZ-NE2 3.44Å; S240-H242 VanDerWaalsContact OG-CB 3.22Å; S240-H242 WeakPolarHBondContact OG-CB 3.45Å; S240-H242 PolarHBondContact OG-N 3.31Å; S240-H242 VanDerWaalsContact OG-N 3.08Å; H242-V244 VanDerWaalsContact CE1-CG2 3.5Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.46Å; H242-V244 WeakPolarHBondContact ND1-CB 3.35Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.11Å; H242-V244 PolarHBondContact ND1-N 2.83Å; H242-V244 PolarHBondContact O-N 3.12Å; H242-V244 VanDerWaalsContact O-N 3.14Å; H242-K245 WeakPolarHBondContact O-CA 3.25Å; H242-K245 WeakPolarHBondContact O-CB 3.31Å; H242-K245 PolarHBondContact O-N 3.09Å; H242-L246 PolarHBondContact O-N 3.19Å; H242-L246 VanDerWaalsContact O-N 3.09Å; H242-L515 PolarHBondContact NE2-O 3.42Å; H242-F522 AromaticContact NE2-CE1 3.99Å
243P98.1Very high95.8Very high0 Ų037.7 Ų37.70%021%0.21CC..Hα-helixtrans-55.4-34.9-179.517.8-31.6000113.9K245 L246 V247 A503 F507 L515 F522 F526P243-K245 VanDerWaalsContact C-N 3.3Å; P243-K245 PolarHBondContact O-N 2.86Å; P243-L246 WeakPolarHBondContact O-CB 3.45Å; P243-L246 PolarHBondContact O-N 3.4Å; P243-L246 VanDerWaalsContact O-N 3.14Å; P243-V247 WeakPolarHBondContact O-CG2 3.41Å; P243-V247 PolarHBondContact O-N 3.28Å; P243-A503 HydrophobicContact CB-CB 4.31Å; P243-F507 HydrophobicContact CB-CD2 3.57Å; P243-F507 HydrophobicContact CB-CE2 3.63Å; P243-F507 HydrophobicContact CB-CG 4.44Å; P243-L515 HydrophobicContact CB-CD2 4.36Å; P243-L515 HydrophobicContact CG-CD2 3.63Å; P243-F522 HydrophobicContact CG-CE1 4.05Å; P243-F522 HydrophobicContact CG-CZ 3.81Å; P243-F526 HydrophobicContact CB-CD1 4.07Å; P243-F526 HydrophobicContact CB-CE1 3.72Å; P243-F526 HydrophobicContact CB-CE2 4.39Å; P243-F526 HydrophobicContact CB-CZ 3.89Å; P243-F526 HydrophobicContact CG-CD1 4.48Å; P243-F526 HydrophobicContact CG-CD2 4.28Å; P243-F526 HydrophobicContact CG-CE1 4.17Å; P243-F526 HydrophobicContact CG-CE2 3.94Å; P243-F526 HydrophobicContact CG-CZ 3.88Å
244V98.3Very high96Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-57.2-41.5173.2176.40000111.8F235 L236 H242 V247 Q248 H426 L499 A503 L515F235-V244 HydrophobicContact CD2-CB 4.42Å; F235-V244 HydrophobicContact CD2-CG2 4.17Å; L236-V244 HydrophobicContact CD2-CG1 3.85Å; H242-V244 VanDerWaalsContact CE1-CG2 3.5Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.46Å; H242-V244 WeakPolarHBondContact ND1-CB 3.35Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.11Å; H242-V244 PolarHBondContact ND1-N 2.83Å; H242-V244 PolarHBondContact O-N 3.12Å; H242-V244 VanDerWaalsContact O-N 3.14Å; V244-V247 PolarHBondContact O-N 2.96Å; V244-Q248 PolarHBondContact O-N 3.11Å; V244-H426 HydrophobicContact CG1-CB 3.74Å; V244-L499 HydrophobicContact CG1-CB 3.66Å; V244-L499 HydrophobicContact CG1-CD1 4.13Å; V244-A503 HydrophobicContact CG2-CB 4.14Å; V244-L515 HydrophobicContact CG2-CD1 4.29Å; V244-L515 HydrophobicContact CG2-CD2 4.17Å
245K97.6Very high96.1Very high22 Ų2233.6 Ų33.610%0.09618%0.184CC..Hα-helixtrans-68.8-40.5174.9174.359.4173.1156.60111.9F235 L236 H242 P243 V247 Q248 D249F235-K245 VanDerWaalsContact O-CB 3.26Å; F235-K245 WeakPolarHBondContact O-CB 3.36Å; L236-K245 HydrophobicContact CD2-CB 4.38Å; H242-K245 WeakPolarHBondContact O-CA 3.25Å; H242-K245 WeakPolarHBondContact O-CB 3.31Å; H242-K245 PolarHBondContact O-N 3.09Å; P243-K245 VanDerWaalsContact C-N 3.3Å; P243-K245 PolarHBondContact O-N 2.86Å; K245-V247 VanDerWaalsContact C-N 3.29Å; K245-V247 PolarHBondContact O-N 3.36Å; K245-Q248 WeakPolarHBondContact O-CB 3.46Å; K245-Q248 PolarHBondContact O-N 2.99Å; K245-D249 VanDerWaalsContact CE-OD1 3.25Å; K245-D249 WeakPolarHBondContact CE-OD1 3.19Å; K245-D249 WeakPolarHBondContact CE-OD2 3.46Å; K245-D249 IonicContact NZ-OD1 3.62Å; K245-D249 PolarHBondContact NZ-OD1 3.28Å; K245-D249 IonicContact NZ-OD2 3.01Å; K245-D249 VanDerWaalsContact O-CG 3.28Å; K245-D249 PolarHBondContact O-N 3.42Å
246L98.4Very high96.1Very high14 Ų1435 Ų357%0.07320%0.202CC..Hα-helixtrans-61.5-39.3176.2-57.7-176.8000111.7H242 P243 D249 F250 F507 F526 R529H242-L246 PolarHBondContact O-N 3.19Å; H242-L246 VanDerWaalsContact O-N 3.09Å; P243-L246 WeakPolarHBondContact O-CB 3.45Å; P243-L246 PolarHBondContact O-N 3.4Å; P243-L246 VanDerWaalsContact O-N 3.14Å; L246-D249 PolarHBondContact O-N 3.11Å; L246-F250 WeakPolarHBondContact O-CB 3.43Å; L246-F250 PolarHBondContact O-N 2.79Å; L246-F507 HydrophobicContact CB-CE2 4.25Å; L246-F507 HydrophobicContact CB-CZ 3.93Å; L246-F507 HydrophobicContact CD1-CZ 3.96Å; L246-F526 HydrophobicContact CD1-CB 4.34Å; L246-F526 HydrophobicContact CD1-CD1 4Å; L246-R529 HydrophobicContact CD2-CB 4.04Å; L246-R529 HydrophobicContact CD2-CG 4.1Å
247V98.4Very high96Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-64.9-44.9173.3171.50000111.6P243 V244 K245 D249 F250 L251 L499 L502 A503 L506 F507P243-V247 WeakPolarHBondContact O-CG2 3.41Å; P243-V247 PolarHBondContact O-N 3.28Å; V244-V247 PolarHBondContact O-N 2.96Å; K245-V247 VanDerWaalsContact C-N 3.29Å; K245-V247 PolarHBondContact O-N 3.36Å; V247-D249 VanDerWaalsContact C-N 3.33Å; V247-D249 PolarHBondContact O-N 2.85Å; V247-F250 PolarHBondContact O-N 2.84Å; V247-L251 HydrophobicContact CG1-CD1 4.08Å; V247-L251 HydrophobicContact CG1-CG 4.43Å; V247-L251 WeakPolarHBondContact O-CG 3.41Å; V247-L251 PolarHBondContact O-N 3.06Å; V247-L499 HydrophobicContact CG1-CD2 4Å; V247-L502 HydrophobicContact CG1-CB 3.69Å; V247-L502 HydrophobicContact CG1-CD1 4.27Å; V247-A503 HydrophobicContact CG2-CB 3.86Å; V247-L506 HydrophobicContact CB-CD2 4.38Å; V247-L506 HydrophobicContact CG1-CD2 4.11Å; V247-L506 HydrophobicContact CG2-CB 4.21Å; V247-L506 HydrophobicContact CG2-CD2 3.71Å; V247-F507 HydrophobicContact CG2-CD2 4.44Å; V247-F507 HydrophobicContact CG2-CE2 3.9Å
248Q97.8Very high96Very high9 Ų942.9 Ų42.94%0.04223%0.229CC..Hα-helixtrans-56-50.4174.7176.5178.6-61.800110.9L236 V244 K245 F250 L251 L252 S408 I428 L499L236-Q248 HydrophobicContact CD2-CB 4.4Å; V244-Q248 PolarHBondContact O-N 3.11Å; K245-Q248 WeakPolarHBondContact O-CB 3.46Å; K245-Q248 PolarHBondContact O-N 2.99Å; Q248-F250 VanDerWaalsContact C-N 3.31Å; Q248-F250 PolarHBondContact O-N 3.09Å; Q248-L251 PolarHBondContact O-N 3.42Å; Q248-L252 HydrophobicContact CG-CD1 3.75Å; Q248-L252 HydrophobicContact CG-CG 4.24Å; Q248-L252 VanDerWaalsContact O-CG 3.25Å; Q248-L252 WeakPolarHBondContact O-CG 3.4Å; Q248-L252 PolarHBondContact O-N 3.25Å; Q248-S408 VanDerWaalsContact OE1-CB 3.23Å; Q248-S408 PolarHBondContact OE1-OG 3.16Å; Q248-I428 HydrophobicContact CG-CD1 3.92Å; Q248-L499 HydrophobicContact CB-CD1 4.02Å; Q248-L499 HydrophobicContact CB-CD2 4.23Å
249D97.3Very high96.1Very high44 Ų4440 Ų4024%0.23520%0.204CC..Hα-helixtrans-61.1-41.4-178.6-67.4-16.7000111.2K245 L246 V247 L252 E253 R529K245-D249 VanDerWaalsContact CE-OD1 3.25Å; K245-D249 WeakPolarHBondContact CE-OD1 3.19Å; K245-D249 WeakPolarHBondContact CE-OD2 3.46Å; K245-D249 IonicContact NZ-OD1 3.62Å; K245-D249 PolarHBondContact NZ-OD1 3.28Å; K245-D249 IonicContact NZ-OD2 3.01Å; K245-D249 VanDerWaalsContact O-CG 3.28Å; K245-D249 PolarHBondContact O-N 3.42Å; L246-D249 PolarHBondContact O-N 3.11Å; V247-D249 VanDerWaalsContact C-N 3.33Å; V247-D249 PolarHBondContact O-N 2.85Å; D249-L252 PolarHBondContact O-N 3.19Å; D249-E253 WeakPolarHBondContact O-CB 3.28Å; D249-E253 PolarHBondContact O-N 3.46Å; D249-R529 IonicContact OD2-NH2 3.93Å; D249-R529 PolarHBondContact OD2-NH2 3.09Å
250F97.9Very high96.2Very high43 Ų4336.7 Ų36.719%0.18919%0.19CC..Hα-helixtrans-59.9-45.7174.7169.9-105.3000113.1L246 V247 Q248 G254 L451 L452 Y455 L506 P532L246-F250 WeakPolarHBondContact O-CB 3.43Å; L246-F250 PolarHBondContact O-N 2.79Å; V247-F250 PolarHBondContact O-N 2.84Å; Q248-F250 VanDerWaalsContact C-N 3.31Å; Q248-F250 PolarHBondContact O-N 3.09Å; F250-G254 PolarHBondContact O-N 2.95Å; F250-L451 HydrophobicContact CE1-CB 4.21Å; F250-L451 HydrophobicContact CE1-CD2 4.38Å; F250-L451 HydrophobicContact CE2-CD2 4.39Å; F250-L451 HydrophobicContact CZ-CB 4.31Å; F250-L451 HydrophobicContact CZ-CD2 3.91Å; F250-L452 HydrophobicContact CE1-CD2 4.4Å; F250-Y455 HydrophobicContact CE1-CE2 4.35Å; F250-Y455 HydrophobicContact CZ-CE2 4.19Å; F250-L506 HydrophobicContact CD1-CD2 3.92Å; F250-L506 HydrophobicContact CE1-CD2 4.17Å; F250-P532 HydrophobicContact CB-CG 3.9Å; F250-P532 HydrophobicContact CD1-CG 4.14Å; F250-P532 HydrophobicContact CD2-CG 3.78Å; F250-P532 HydrophobicContact CE2-CG 4.33Å; F250-P532 HydrophobicContact CG-CG 3.67Å
251L97.9Very high96.1Very high1 Ų137.9 Ų37.91%0.00520%0.196CC..Hα-helixtrans-63.6-45177.7-71.8170.2000111.5V247 Q248 G254 L255 I428 L448 L452 L497 L499 L502V247-L251 HydrophobicContact CG1-CD1 4.08Å; V247-L251 HydrophobicContact CG1-CG 4.43Å; V247-L251 WeakPolarHBondContact O-CG 3.41Å; V247-L251 PolarHBondContact O-N 3.06Å; Q248-L251 PolarHBondContact O-N 3.42Å; L251-G254 PolarHBondContact O-N 3.35Å; L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.17Å; L251-L255 PolarHBondContact O-N 3.12Å; L251-I428 HydrophobicContact CD1-CG2 4.4Å; L251-L448 HydrophobicContact CD2-CD2 4.29Å; L251-L452 HydrophobicContact CD2-CD1 4.28Å; L251-L452 HydrophobicContact CD2-CD2 4.07Å; L251-L452 HydrophobicContact CD2-CG 4.4Å; L251-L497 HydrophobicContact CD1-CD1 3.91Å; L251-L497 HydrophobicContact CD2-CD1 4.38Å; L251-L499 HydrophobicContact CD1-CD2 3.74Å; L251-L502 HydrophobicContact CD1-CD1 3.95Å
252L96.9Very high95.9Very high29 Ų2937.9 Ų37.915%0.15220%0.201CC..Hα-helixtrans-65.5-41.7-179.6-66.8176000111.8Q248 D249 G256 V261 M263 I428 L430Q248-L252 HydrophobicContact CG-CD1 3.75Å; Q248-L252 HydrophobicContact CG-CG 4.24Å; Q248-L252 VanDerWaalsContact O-CG 3.25Å; Q248-L252 WeakPolarHBondContact O-CG 3.4Å; Q248-L252 PolarHBondContact O-N 3.25Å; D249-L252 PolarHBondContact O-N 3.19Å; L252-G256 WeakPolarHBondContact O-CA 3.19Å; L252-G256 PolarHBondContact O-N 3.39Å; L252-V261 HydrophobicContact CD2-CB 4.44Å; L252-V261 HydrophobicContact CD2-CG1 3.62Å; L252-M263 HydrophobicContact CD1-CG 3.77Å; L252-M263 HydrophobicContact CD1-SD 4.1Å; L252-M263 HydrophobicContact CD2-CG 4.14Å; L252-M263 HydrophobicContact CD2-SD 3.66Å; L252-I428 HydrophobicContact CD2-CD1 4.09Å; L252-I428 HydrophobicContact CG-CD1 4.45Å; L252-L430 HydrophobicContact CD2-CD2 4.09Å
253E96.4Very high95.6Very high137 Ų13739.7 Ų39.764%0.6421%0.21SC*.Hα-helixtrans-64.6-42174.7-173.3-174.316100111.5D249 G256D249-E253 WeakPolarHBondContact O-CB 3.28Å; D249-E253 PolarHBondContact O-N 3.46Å; E253-G256 PolarHBondContact O-N 2.74Å
254G96.2Very high95.1Very high5 Ų543.3 Ų43.35%0.05223%0.226CC..Hα-helixtrans-62.1-51.9178.500000112.8F250 L251 G256 K257F250-G254 PolarHBondContact O-N 2.95Å; L251-G254 PolarHBondContact O-N 3.35Å; G254-G256 VanDerWaalsContact C-N 3.32Å; G254-K257 PolarHBondContact O-N 3.5Å
255L95.3Very high93.9Very high3 Ų353.4 Ų53.42%0.01626%0.264CS..Hα-helixtrans-68.8-32.3177.7-65.8171.2000112L251 K257 H258 W259 V261 L430 E447 L448 L451L251-L255 WeakPolarHBondContact O-CB 3.23Å; L251-L255 WeakPolarHBondContact O-CG 3.17Å; L251-L255 PolarHBondContact O-N 3.12Å; L255-K257 PolarHBondContact O-N 3.16Å; L255-K257 VanDerWaalsContact O-N 3.08Å; L255-H258 PolarHBondContact O-N 3.38Å; L255-W259 HydrophobicContact CD2-CE3 4.33Å; L255-W259 HydrophobicContact CD2-CZ3 3.96Å; L255-W259 PolarHBondContact O-N 3.26Å; L255-V261 HydrophobicContact CB-CG2 4.37Å; L255-L430 HydrophobicContact CD1-CD1 3.31Å; L255-E447 HydrophobicContact CD2-CB 4.02Å; L255-L448 HydrophobicContact CD1-CD2 4.33Å; L255-L448 HydrophobicContact CD2-CD2 4.3Å; L255-L451 HydrophobicContact CG-CD1 4.46Å
256G94.7Very high92.3Very high39 Ų3958.2 Ų58.240%0.40229%0.287SS..Hα-helixtrans-55.8-22176.900000115.1L252 E253 G254 H258 W259L252-G256 WeakPolarHBondContact O-CA 3.19Å; L252-G256 PolarHBondContact O-N 3.39Å; E253-G256 PolarHBondContact O-N 2.74Å; G254-G256 VanDerWaalsContact C-N 3.32Å; G256-H258 VanDerWaalsContact C-N 3.27Å; G256-H258 PolarHBondContact O-N 3.24Å; G256-W259 VanDerWaalsContact CA-O 3.25Å; G256-W259 WeakPolarHBondContact CA-O 3.38Å
257K93.5Very high91.1Very high153 Ų15363.9 Ų63.967%0.66533%0.325SS*.THydrogen-bonded Turntrans-68.9-25.6176.3-66173.1-175.4173.90113.2G254 L255G254-K257 PolarHBondContact O-N 3.5Å; L255-K257 PolarHBondContact O-N 3.16Å; L255-K257 VanDerWaalsContact O-N 3.08Å
258H91.3Very high90.4Very high99 Ų9965.4 Ų65.446%0.45833%0.331SS..THydrogen-bonded Turntrans-113.3-33.5-175.6-64.398.8000112.3L255 G256 E447L255-H258 PolarHBondContact O-N 3.38Å; G256-H258 VanDerWaalsContact C-N 3.27Å; G256-H258 PolarHBondContact O-N 3.24Å; H258-E447 IonicContact CE1-OE1 2.72Å; H258-E447 IonicContact CE1-OE2 2.82Å; H258-E447 PolarHBondContact CE1-OE2 3.47Å; H258-E447 IonicContact ND1-OE2 3.1Å; H258-E447 PolarHBondContact ND1-OE2 3.05Å; H258-E447 VanDerWaalsContact ND1-OE2 3.12Å; H258-E447 IonicContact NE2-OE2 3.7Å
259W92.8Very high90.1Very high30 Ų3066.6 Ų66.611%0.11434%0.34CS..SBendtrans-135132.6-179-54.8-75.2000110.4L255 G256 V261 L404 F434 L443 I444 E447L255-W259 HydrophobicContact CD2-CE3 4.33Å; L255-W259 HydrophobicContact CD2-CZ3 3.96Å; L255-W259 PolarHBondContact O-N 3.26Å; G256-W259 VanDerWaalsContact CA-O 3.25Å; G256-W259 WeakPolarHBondContact CA-O 3.38Å; W259-V261 WeakPolarHBondContact O-CG2 3.22Å; W259-V261 PolarHBondContact O-N 3.27Å; W259-L404 HydrophobicContact CB-CD1 3.82Å; W259-L404 HydrophobicContact CB-CG 3.94Å; W259-L404 HydrophobicContact CD2-CD1 4.29Å; W259-L404 HydrophobicContact CE3-CD1 4.08Å; W259-L404 HydrophobicContact CG-CD1 4.2Å; W259-L404 HydrophobicContact CG-CG 4.38Å; W259-F434 AromaticContact CD1-CE1 3.87Å; W259-F434 AromaticContact NE1-CE1 3.58Å; W259-L443 HydrophobicContact CZ2-CB 4.34Å; W259-I444 HydrophobicContact CH2-CG1 4.32Å; W259-E447 HydrophobicContact CH2-CB 4.29Å; W259-E447 HydrophobicContact CH2-CG 3.56Å; W259-E447 HydrophobicContact CZ3-CB 4.07Å; W259-E447 HydrophobicContact CZ3-CG 3.64Å
260P92.6Very high89.8Confident67 Ų6765.3 Ų65.344%0.43533%0.333SS..  trans-53.9134165.1-2232.9000109.4S401 L403 L404P260-S401 WeakPolarHBondContact CD-OG 3.3Å; P260-L403 HydrophobicContact CB-CD1 3.86Å; P260-L403 WeakPolarHBondContact O-CD1 3.27Å; P260-L404 PolarHBondContact O-N 3.22Å
261V92.8Very high89.6Confident42 Ų4263.2 Ų63.226%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-119.4124.9178.9-166.90000110L252 L255 W259 M263 L404 L430L252-V261 HydrophobicContact CD2-CB 4.44Å; L252-V261 HydrophobicContact CD2-CG1 3.62Å; L255-V261 HydrophobicContact CB-CG2 4.37Å; W259-V261 WeakPolarHBondContact O-CG2 3.22Å; W259-V261 PolarHBondContact O-N 3.27Å; V261-M263 HydrophobicContact CG1-SD 4.49Å; V261-L404 CarbonylContact C-O 3.55Å; V261-L404 WeakPolarHBondContact CA-O 3.45Å; V261-L404 HydrophobicContact CB-CB 4.49Å; V261-L404 HydrophobicContact CG1-CB 4.19Å; V261-L404 HydrophobicContact CG2-CB 4.22Å; V261-L404 HydrophobicContact CG2-CD1 4.26Å; V261-L430 HydrophobicContact CG1-CD2 4.2Å
262S91.3Very high89.2Confident52 Ų5263.2 Ų63.236%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-115114.2177.7-176.20000110.5L404 F405 G406S262-L404 PolarHBondContact N-O 3.33Å; S262-F405 CarbonylContact O-C 3.55Å; S262-F405 WeakPolarHBondContact O-CA 3.22Å; S262-G406 PolarHBondContact O-N 3.41Å
263M92.3Very high88.8Confident45 Ų4562.2 Ų62.222%0.22232%0.319CS..EExtended strand (participates in β ladder)trans-92.1125.8177.2-65.7-60.4-63.900110.9L252 V261 G406 I428 L430L252-M263 HydrophobicContact CD1-CG 3.77Å; L252-M263 HydrophobicContact CD1-SD 4.1Å; L252-M263 HydrophobicContact CD2-CG 4.14Å; L252-M263 HydrophobicContact CD2-SD 3.66Å; V261-M263 HydrophobicContact CG1-SD 4.49Å; M263-G406 WeakPolarHBondContact CA-O 3.5Å; M263-G406 VanDerWaalsContact SD-CA 3.58Å; M263-I428 HydrophobicContact CE-CD1 4.02Å; M263-I428 HydrophobicContact CE-CG1 4.39Å; M263-I428 HydrophobicContact SD-CD1 4.36Å; M263-L430 HydrophobicContact SD-CD2 3.98Å
264K87.6Confident88.2Confident76 Ų7656.8 Ų56.833%0.3330%0.297SS..  trans-76.2131171.7-78.6-113.8-173174.80110.5L363 G406 V407K264-L363 HydrophobicContact CB-CD1 4.14Å; K264-L363 HydrophobicContact CD-CD1 3.91Å; K264-L363 HydrophobicContact CD-CD2 3.82Å; K264-L363 HydrophobicContact CD-CG 4.45Å; K264-L363 HydrophobicContact CG-CD1 3.96Å; K264-G406 PolarHBondContact N-O 3.02Å; K264-V407 HydrophobicContact CB-CG1 4.12Å
265R72.3Confident87.5Confident212 Ų21263.5 Ų63.580%0.833%0.325SS*.  trans-111.186.3178.4-68.5-172.9-102.7-178-3.8109.6
266Q65.5Low86.8Confident122 Ų12264.9 Ų64.957%0.5733%0.331SS*.  trans-141.2143.3169.5-72.2-173.9-13.900109.2F268Q266-F268 HydrophobicContact CB-CZ 4.45Å; Q266-F268 WeakPolarHBondContact O-CD2 3.12Å; Q266-F268 PolarHBondContact O-N 2.92Å
267P73.2Confident86.1Confident134 Ų13463.7 Ų63.787%0.8732%0.316SS*.  trans-68.5104.4170.329-31000107.8
268F83.7Confident85.1Confident31 Ų3161.3 Ų61.314%0.13631%0.307CS..  trans-78.4137169.1-58.7-73.5000109.1Q266 R353 Q359 L363 V407Q266-F268 HydrophobicContact CB-CZ 4.45Å; Q266-F268 WeakPolarHBondContact O-CD2 3.12Å; Q266-F268 PolarHBondContact O-N 2.92Å; F268-R353 VanDerWaalsContact CB-NH1 3.3Å; F268-R353 PolarHBondContact O-NH1 3.21Å; F268-Q359 HydrophobicContact CB-CG 3.71Å; F268-Q359 HydrophobicContact CD1-CB 3.79Å; F268-Q359 HydrophobicContact CD1-CG 3.69Å; F268-Q359 HydrophobicContact CE1-CB 4.15Å; F268-Q359 HydrophobicContact CG-CB 4.11Å; F268-Q359 HydrophobicContact CG-CG 3.74Å; F268-L363 HydrophobicContact CE1-CD1 4.03Å; F268-L363 HydrophobicContact CE1-CD2 4.3Å; F268-L363 HydrophobicContact CE1-CG 4.24Å; F268-L363 HydrophobicContact CZ-CD1 3.81Å; F268-L363 HydrophobicContact CZ-CG 4.49Å; F268-V407 HydrophobicContact CE2-CB 4.12Å; F268-V407 HydrophobicContact CE2-CG1 3.79Å; F268-V407 HydrophobicContact CZ-CG1 3.72Å
269P89.9Confident84Confident35 Ų3560.9 Ų60.923%0.22731%0.312CS..  trans-57.3144.117625.7-33.8000110.3E212 V214 L271 R353E212-P269 HydrophobicContact CB-CB 4.42Å; V214-P269 HydrophobicContact CG2-CB 4.03Å; P269-L271 VanDerWaalsContact C-N 3.25Å; P269-R353 PolarHBondContact O-NH1 3.43Å
270L92.8Very high82.6Confident16 Ų1660 Ų608%0.08431%0.31CS..SBendtrans-71.4-28.5172.1-60.2-172.1000110.6M210 E212 V231 L352 R353 V410 F412M210-L270 HydrophobicContact CE-CD1 4.03Å; E212-L270 VanDerWaalsContact CD-N 3.32Å; E212-L270 WeakPolarHBondContact OE1-CB 3.47Å; E212-L270 VanDerWaalsContact OE1-CG 3.31Å; E212-L270 WeakPolarHBondContact OE1-CG 3.17Å; E212-L270 PolarHBondContact OE1-N 3.29Å; E212-L270 PolarHBondContact OE2-N 3.28Å; V231-L270 HydrophobicContact CB-CD1 4.48Å; V231-L270 HydrophobicContact CG1-CD1 3.84Å; L270-L352 HydrophobicContact CB-CD2 4.3Å; L270-L352 WeakPolarHBondContact O-CA 3.34Å; L270-R353 PolarHBondContact O-N 3.15Å; L270-V410 HydrophobicContact CD2-CG1 3.72Å; L270-F412 HydrophobicContact CB-CE2 4.33Å; L270-F412 HydrophobicContact CD1-CE2 4.09Å; L270-F412 HydrophobicContact CD1-CZ 4.15Å; L270-F412 HydrophobicContact CD2-CE2 4.12Å; L270-F412 HydrophobicContact CG-CE2 4.41Å
271L92.4Very high81.1Confident0 Ų057.5 Ų57.50%029%0.294CS..EExtended strand (participates in β ladder)trans-83.2144.6172.2-74.8-177.3000113.3E212 V214 V219 Y221 P269 I292 L294 Y350 L351 L352E212-L271 PolarHBondContact OE2-N 3.08Å; E212-L271 VanDerWaalsContact OE2-N 3.08Å; V214-L271 HydrophobicContact CG2-CB 3.86Å; V219-L271 HydrophobicContact CG2-CD1 4Å; Y221-L271 HydrophobicContact CD1-CD1 3.33Å; Y221-L271 HydrophobicContact CD1-CG 4.18Å; Y221-L271 HydrophobicContact CD2-CD1 4.3Å; Y221-L271 HydrophobicContact CE1-CD1 3.27Å; Y221-L271 HydrophobicContact CE1-CG 3.66Å; Y221-L271 HydrophobicContact CE2-CD1 4.24Å; Y221-L271 HydrophobicContact CE2-CD2 4.3Å; Y221-L271 HydrophobicContact CE2-CG 4.13Å; Y221-L271 HydrophobicContact CG-CD1 3.86Å; P269-L271 VanDerWaalsContact C-N 3.25Å; L271-I292 HydrophobicContact CD1-CG2 4.5Å; L271-I292 HydrophobicContact CD2-CB 3.87Å; L271-I292 HydrophobicContact CD2-CG1 3.77Å; L271-I292 HydrophobicContact CD2-CG2 4.1Å; L271-L294 HydrophobicContact CD1-CD2 4.13Å; L271-Y350 HydrophobicContact CD1-CD1 4.46Å; L271-L351 WeakPolarHBondContact CA-O 3.44Å; L271-L351 WeakPolarHBondContact CD2-O 3.13Å; L271-L352 HydrophobicContact CD2-CD2 4.05Å
272I90.6Very high79.5Confident1 Ų163.1 Ų63.11%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-128.6154.9164.159172.4000109.2Q276 L277 Y350 L351 R353 P358I272-Q276 HydrophobicContact CB-CB 4.38Å; I272-L277 HydrophobicContact CD1-CB 4.35Å; I272-L277 HydrophobicContact CD1-CD1 4.2Å; I272-Y350 WeakPolarHBondContact O-CA 3.26Å; I272-L351 HydrophobicContact CD1-CD1 4.4Å; I272-L351 HydrophobicContact CD1-CD2 4.21Å; I272-L351 HydrophobicContact CD1-CG 4.19Å; I272-L351 HydrophobicContact CG1-CD2 3.74Å; I272-L351 HydrophobicContact CG1-CG 3.78Å; I272-L351 PolarHBondContact N-O 3.13Å; I272-L351 PolarHBondContact O-N 3.18Å; I272-R353 HydrophobicContact CD1-CB 4.44Å; I272-R353 HydrophobicContact CG1-CB 4.45Å; I272-R353 HydrophobicContact CG2-CB 4.08Å; I272-P358 HydrophobicContact CD1-CG 4.06Å
273S88.4Confident77.9Confident8 Ų866.7 Ų66.76%0.05633%0.332CS..EExtended strand (participates in β ladder)trans-82.5155.7173.170.70000111.6E215 K275 Q276 L277E215-S273 WeakPolarHBondContact OE2-CB 3.31Å; E215-S273 PolarHBondContact OE2-OG 3.33Å; S273-K275 PolarHBondContact O-N 3.13Å; S273-K275 VanDerWaalsContact O-N 3.15Å; S273-Q276 PolarHBondContact O-N 3.36Å; S273-Q276 VanDerWaalsContact O-N 3.08Å; S273-Q276 PolarHBondContact OG-N 3.38Å; S273-L277 PolarHBondContact O-N 3.17Å; S273-L277 VanDerWaalsContact O-N 3.14Å
274A83.1Confident76.5Confident22 Ų2266.6 Ų66.618%0.18233%0.332CS..Hα-helixtrans-56.5-29.5174.900000112.7L277 Q278 W291 L349A274-L277 WeakPolarHBondContact O-CB 3.24Å; A274-L277 PolarHBondContact O-N 3.05Å; A274-Q278 WeakPolarHBondContact O-CG 3.43Å; A274-Q278 PolarHBondContact O-N 2.85Å; A274-Q278 VanDerWaalsContact O-N 3.17Å; A274-W291 HydrophobicContact CB-CZ3 4.4Å; A274-L349 HydrophobicContact CB-CB 4.18Å; A274-L349 PolarHBondContact N-O 3.13Å
275K80.9Confident75.6Confident146 Ų14666.8 Ų66.864%0.63534%0.337SS*.Hα-helixtrans-65.3-46.4175-176.7-175.6174.3-168.80111.9S273 L277 Q278 T279S273-K275 PolarHBondContact O-N 3.13Å; S273-K275 VanDerWaalsContact O-N 3.15Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 2.64Å; K275-Q278 PolarHBondContact O-N 3.33Å; K275-T279 PolarHBondContact O-N 3Å; K275-T279 PolarHBondContact O-OG1 3.16Å
276Q81.3Confident75.3Confident32 Ų3260.4 Ų60.415%0.1533%0.325CS..Hα-helixtrans-63.4-32.4175.7-68.8175.7-49.700112I272 S273 T279 C280I272-Q276 HydrophobicContact CB-CB 4.38Å; S273-Q276 PolarHBondContact O-N 3.36Å; S273-Q276 VanDerWaalsContact O-N 3.08Å; S273-Q276 PolarHBondContact OG-N 3.38Å; Q276-T279 PolarHBondContact O-OG1 3.16Å; Q276-C280 PolarHBondContact O-SG 2.91Å
277L80Confident75.7Confident15 Ų1560.2 Ų60.28%0.07933%0.327CS..Hα-helixtrans-66.7-44.7176-17772.2000112.1I272 S273 A274 K275 T279 C280 C281 Y289 L351 P354I272-L277 HydrophobicContact CD1-CB 4.35Å; I272-L277 HydrophobicContact CD1-CD1 4.2Å; S273-L277 PolarHBondContact O-N 3.17Å; S273-L277 VanDerWaalsContact O-N 3.14Å; A274-L277 WeakPolarHBondContact O-CB 3.24Å; A274-L277 PolarHBondContact O-N 3.05Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 2.64Å; L277-T279 PolarHBondContact O-N 2.88Å; L277-C280 PolarHBondContact O-N 3.31Å; L277-C281 HydrophobicContact CD1-CB 3.66Å; L277-C281 HydrophobicContact CG-CB 4.43Å; L277-C281 PolarHBondContact O-N 3.28Å; L277-C281 VanDerWaalsContact O-N 3.07Å; L277-Y289 HydrophobicContact CD1-CE1 4.48Å; L277-Y289 HydrophobicContact CD2-CD2 4.06Å; L277-Y289 HydrophobicContact CD2-CE2 3.58Å; L277-L351 HydrophobicContact CB-CD2 4.37Å; L277-L351 HydrophobicContact CD1-CD1 4.25Å; L277-L351 HydrophobicContact CD2-CD1 3.89Å; L277-L351 HydrophobicContact CD2-CD2 4.26Å; L277-P354 HydrophobicContact CD1-CG 4.26Å
278Q72.9Confident76.1Confident102 Ų10256.7 Ų56.748%0.47730%0.299SS..Hα-helixtrans-61.8-28-178-74.9177.31.600113.3A274 K275 H282A274-Q278 WeakPolarHBondContact O-CG 3.43Å; A274-Q278 PolarHBondContact O-N 2.85Å; A274-Q278 VanDerWaalsContact O-N 3.17Å; K275-Q278 PolarHBondContact O-N 3.33Å; Q278-H282 PolarHBondContact O-CE1 3.17Å; Q278-H282 VanDerWaalsContact O-CE1 3.28Å
279T67.9Low76.4Confident91 Ų9156 Ų5656%0.55830%0.296SS*.Hα-helixtrans-80.6-24.2-179.844.20000113.8K275 Q276 L277K275-T279 PolarHBondContact O-N 3Å; K275-T279 PolarHBondContact O-OG1 3.16Å; Q276-T279 PolarHBondContact O-OG1 3.16Å; L277-T279 PolarHBondContact O-N 2.88Å
280C63.6Low76.4Confident12 Ų1255.2 Ų55.28%0.08129%0.288CS..Hα-helixtrans-125-20.1-161.6-46.40000114.6Q276 L277 P358 E361 R482Q276-C280 PolarHBondContact O-SG 2.91Å; L277-C280 PolarHBondContact O-N 3.31Å; C280-P358 HydrophobicContact CB-CB 4.19Å; C280-P358 HydrophobicContact CB-CG 3.96Å; C280-E361 WeakPolarHBondContact CB-OE1 3.37Å; C280-E361 PolarHBondContact SG-OE2 2.88Å; C280-R482 PolarHBondContact O-NH2 2.95Å
281C60.8Low76.3Confident14 Ų1459 Ų5910%0.09530%0.302CS..  trans-129.591.7-169.7-65.60000112.5L277 L284L277-C281 HydrophobicContact CD1-CB 3.66Å; L277-C281 HydrophobicContact CG-CB 4.43Å; L277-C281 PolarHBondContact O-N 3.28Å; L277-C281 VanDerWaalsContact O-N 3.07Å; C281-L284 HydrophobicContact CB-CD1 4.45Å
282H58.1Low76.3Confident159 Ų15959.5 Ų59.574%0.73630%0.304SS*.SBendtrans-97.9-13.5172.2-58.2-53.7000113.8Q278Q278-H282 PolarHBondContact O-CE1 3.17Å; Q278-H282 VanDerWaalsContact O-CE1 3.28Å
283D58.9Low76.1Confident127 Ų12766 Ų6668%0.67933%0.334SS*.SBendtrans-98.1-4.5-170.7-76.35.5000114.3K478D283-K478 IonicContact OD2-NZ 2.92Å; D283-K478 PolarHBondContact OD2-NZ 3.04Å
284L63.7Low76.1Confident43 Ų4368.3 Ų68.323%0.22535%0.346CS..SBendtrans-101.9135-175.8-72.4169.1000111.6C281 S286 Y289 P354C281-L284 HydrophobicContact CB-CD1 4.45Å; L284-S286 PolarHBondContact O-N 3.2Å; L284-Y289 HydrophobicContact CB-CE1 4.02Å; L284-Y289 VanDerWaalsContact CB-OH 3.3Å; L284-Y289 WeakPolarHBondContact CB-OH 3.45Å; L284-Y289 HydrophobicContact CD1-CE1 4.5Å; L284-Y289 PolarHBondContact O-OH 3.01Å; L284-P354 HydrophobicContact CD1-CB 3.99Å; L284-P354 HydrophobicContact CD1-CG 3.86Å
285D68.1Low76.2Confident81 Ų8170.7 Ų70.743%0.43336%0.355SS..  trans-65.9123.1175.3-176.7-2.7000110.2L287 Q288D285-L287 PolarHBondContact O-N 3.34Å; D285-L287 WeakPolarHBondContact OD1-CB 3.32Å; D285-L287 WeakPolarHBondContact OD1-CG 3.23Å; D285-L287 PolarHBondContact OD1-N 3.43Å; D285-L287 VanDerWaalsContact OD1-N 3.1Å; D285-Q288 HydrophobicContact CB-CG 4.27Å; D285-Q288 PolarHBondContact O-N 2.92Å
286S65.8Low75.9Confident78 Ų7872.7 Ų72.755%0.54537%0.366SS..G310 helixtrans-62.3-17.2-177.560.90000114L284 Q288 Y289L284-S286 PolarHBondContact O-N 3.2Å; S286-Q288 PolarHBondContact O-N 3.48Å; S286-Y289 WeakPolarHBondContact O-CD2 3.29Å
287L72.8Confident74.8Confident117 Ų11778.3 Ų78.361%0.61339%0.39SS*.G310 helixtrans-71.4-15.7174.9-61.6173.8000113.4D285D285-L287 PolarHBondContact O-N 3.34Å; D285-L287 WeakPolarHBondContact OD1-CB 3.32Å; D285-L287 WeakPolarHBondContact OD1-CG 3.23Å; D285-L287 PolarHBondContact OD1-N 3.43Å; D285-L287 VanDerWaalsContact OD1-N 3.1Å
288Q82.9Confident72.8Confident61 Ų6186.1 Ų86.129%0.28543%0.426SS..G310 helixtrans-936.8-177.9-60.8-175.212.400114.1D285 S286 R413 S414D285-Q288 HydrophobicContact CB-CG 4.27Å; D285-Q288 PolarHBondContact O-N 2.92Å; S286-Q288 PolarHBondContact O-N 3.48Å; Q288-R413 CarbonylContact O-C 3.6Å; Q288-R413 WeakPolarHBondContact O-CA 3.36Å; Q288-S414 PolarHBondContact O-N 2.87Å
289Y89.5Confident71.1Confident16 Ų1688.5 Ų88.56%0.06344%0.442CS..  trans-88.7141.8-177.8-56-32.6000113L277 L284 S286 W291 L351 P354L277-Y289 HydrophobicContact CD1-CE1 4.48Å; L277-Y289 HydrophobicContact CD2-CD2 4.06Å; L277-Y289 HydrophobicContact CD2-CE2 3.58Å; L284-Y289 HydrophobicContact CB-CE1 4.02Å; L284-Y289 VanDerWaalsContact CB-OH 3.3Å; L284-Y289 WeakPolarHBondContact CB-OH 3.45Å; L284-Y289 HydrophobicContact CD1-CE1 4.5Å; L284-Y289 PolarHBondContact O-OH 3.01Å; S286-Y289 WeakPolarHBondContact O-CD2 3.29Å; Y289-W291 AromaticContact CD2-CZ2 4Å; Y289-W291 HydrophobicContact CD2-CZ2 4Å; Y289-L351 HydrophobicContact CD1-CD1 4.08Å; Y289-L351 HydrophobicContact CD2-CD1 4.21Å; Y289-L351 HydrophobicContact CG-CD1 3.82Å; Y289-P354 HydrophobicContact CD1-CB 4.04Å; Y289-P354 HydrophobicContact CD1-CG 3.96Å; Y289-P354 HydrophobicContact CE1-CB 4.05Å; Y289-P354 HydrophobicContact CE1-CG 3.75Å
290Y90.8Very high69.4Low19 Ų1990.3 Ų90.38%0.07545%0.453CS..  trans-9396.3166.4-77.8-71.8000109.4P224 E226 L227 L351 L352 F412 R413 S414P224-Y290 HydrophobicContact CG-CD1 4.16Å; E226-Y290 WeakPolarHBondContact OE1-CE1 3.49Å; L227-Y290 HydrophobicContact CD1-CD1 4.26Å; L227-Y290 HydrophobicContact CD1-CD2 3.89Å; L227-Y290 HydrophobicContact CD1-CE1 4.15Å; L227-Y290 HydrophobicContact CD1-CE2 3.73Å; L227-Y290 HydrophobicContact CD1-CG 4.14Å; L227-Y290 HydrophobicContact CD2-CE2 4.29Å; L227-Y290 HydrophobicContact CG-CE2 4.46Å; Y290-L351 CarbonylContact O-C 3.5Å; Y290-L351 WeakPolarHBondContact O-CA 3.22Å; Y290-L351 WeakPolarHBondContact O-CB 3.5Å; Y290-L352 HydrophobicContact CD2-CD1 4.47Å; Y290-L352 HydrophobicContact CG-CD1 4.29Å; Y290-L352 PolarHBondContact O-N 2.84Å; Y290-F412 HydrophobicContact CD2-CB 3.98Å; Y290-F412 HydrophobicContact CE2-CB 4.42Å; Y290-R413 WeakPolarHBondContact CE2-O 3.25Å; Y290-S414 VanDerWaalsContact CE2-N 3.28Å
291W89.9Confident67.9Low96 Ų9694 Ų9436%0.36448%0.478SS..EExtended strand (participates in β ladder)trans-72.4133.9173.4-63.9102.1000110.6A274 Y289 L349 L351A274-W291 HydrophobicContact CB-CZ3 4.4Å; Y289-W291 AromaticContact CD2-CZ2 4Å; Y289-W291 HydrophobicContact CD2-CZ2 4Å; W291-L349 HydrophobicContact CZ3-CB 4.28Å; W291-L351 HydrophobicContact CE3-CB 4.09Å; W291-L351 HydrophobicContact CZ3-CB 4.38Å; W291-L351 HydrophobicContact CZ3-CD2 4.11Å
292I91.6Very high66.6Low10 Ų10102.5 Ų102.55%0.05152%0.517CS..EExtended strand (participates in β ladder)trans-121.7129.2-174.2-60.9-60.6000109.9Y221 P224 L271 Y350 L352Y221-I292 HydrophobicContact CD2-CG2 3.51Å; Y221-I292 HydrophobicContact CE2-CG2 4.38Å; Y221-I292 HydrophobicContact CG-CG2 3.74Å; P224-I292 HydrophobicContact CG-CD1 3.8Å; L271-I292 HydrophobicContact CD1-CG2 4.5Å; L271-I292 HydrophobicContact CD2-CB 3.87Å; L271-I292 HydrophobicContact CD2-CG1 3.77Å; L271-I292 HydrophobicContact CD2-CG2 4.1Å; I292-Y350 PolarHBondContact N-O 3.3Å; I292-L352 HydrophobicContact CD1-CD1 4.37Å; I292-L352 HydrophobicContact CD1-CG 4.12Å; I292-L352 HydrophobicContact CG1-CD2 4.36Å; I292-L352 HydrophobicContact CG1-CG 3.94Å
293H86.8Confident65.1Low137 Ų137101 Ų10163%0.63452%0.519SS*.PPolyproline II helixtrans-91.3129.4169.8-63.2-69.7000110
294L89.3Confident63.6Low57 Ų57103 Ų10330%0.29852%0.524SS..BIsolated β-bridgetrans-72.3147.5173.4-59.7-169.4000111.1V219 H220 L271 Y350V219-L294 HydrophobicContact CB-CD1 3.91Å; V219-L294 HydrophobicContact CB-CD2 3.88Å; V219-L294 HydrophobicContact CG1-CD1 3.68Å; V219-L294 HydrophobicContact CG1-CD2 4.44Å; V219-L294 HydrophobicContact CG2-CD2 4.33Å; H220-L294 CarbonylContact O-C 3.59Å; H220-L294 WeakPolarHBondContact O-CA 3.35Å; L271-L294 HydrophobicContact CD1-CD2 4.13Å; L294-Y350 HydrophobicContact CD1-CD2 3.69Å; L294-Y350 HydrophobicContact CD1-CE2 3.26Å; L294-Y350 HydrophobicContact CD2-CD2 3.9Å; L294-Y350 HydrophobicContact CD2-CE2 4.3Å; L294-Y350 HydrophobicContact CD2-CG 4.19Å; L294-Y350 HydrophobicContact CG-CD2 3.63Å; L294-Y350 HydrophobicContact CG-CE2 3.77Å; L294-Y350 HydrophobicContact CG-CG 4.41Å
295L85.8Confident61.8Low71 Ų71108.5 Ų108.537%0.37255%0.549SS..PPolyproline II helixtrans-76.3130.2170.2-61.6172000108.8Q209 H220 K297Q209-L295 HydrophobicContact CG-CD1 4.47Å; H220-L295 HydrophobicContact CB-CB 4.19Å; H220-L295 HydrophobicContact CB-CD1 4.39Å; H220-L295 PolarHBondContact O-N 3.25Å; L295-K297 PolarHBondContact O-N 3.19Å
296Q74.2Confident59.8Low189 Ų189111 Ų11188%0.88356%0.562SS**PPolyproline II helixtrans-64.7133.5175.8-71.1-179.7-13.400109.9E298Q296-E298 PolarHBondContact O-N 3.3Å; Q296-E298 VanDerWaalsContact O-N 3.16Å
297K57.2Low57.9Low150 Ų150114.8 Ų114.865%0.65258%0.576SS**PPolyproline II helixtrans-58.6118.2166.7-85.3176.1177.21660107.7L295 L299L295-K297 PolarHBondContact O-N 3.19Å; K297-L299 PolarHBondContact O-N 3.12Å
298E39.2Very low55.6Low178 Ų178113.5 Ų113.583%0.83258%0.582SS**  trans-57.3106.7166.1-78.5-173.5165.500107.7Q296 T300Q296-E298 PolarHBondContact O-N 3.3Å; Q296-E298 VanDerWaalsContact O-N 3.16Å; E298-T300 PolarHBondContact O-N 2.78Å
299L36.3Very low52.9Low153 Ų153117.2 Ų117.280%0.80161%0.609SS**  trans-66100.9171.5-133.886.2000106.3K297 S301K297-L299 PolarHBondContact O-N 3.12Å; L299-S301 PolarHBondContact O-N 3.28Å
300T32Very low49.7Very low129 Ų129121.4 Ų121.479%0.79164%0.639SS**  trans-71.976.8166.736.80000108.1E298 Q302E298-T300 PolarHBondContact O-N 2.78Å; T300-Q302 VanDerWaalsContact C-N 3.34Å; T300-Q302 PolarHBondContact O-N 3.32Å
301S32.3Very low46.6Very low88 Ų88125.2 Ų125.262%0.61567%0.669SS**  trans-73.896.4164.353.70000108.1L299 T303L299-S301 PolarHBondContact O-N 3.28Å; S301-T303 PolarHBondContact O-N 2.79Å; S301-T303 VanDerWaalsContact O-N 3.07Å
302Q33.2Very low43.4Very low193 Ų193127.4 Ų127.490%0.90269%0.688SS**  trans-52.4109151.5-70.1-178.4-6.700108T300T300-Q302 VanDerWaalsContact C-N 3.34Å; T300-Q302 PolarHBondContact O-N 3.32Å
303T28Very low40.3Very low128 Ų128134.9 Ų134.979%0.78573%0.726SS**  trans-137.3112.2155.50.80000107.3S301S301-T303 PolarHBondContact O-N 2.79Å; S301-T303 VanDerWaalsContact O-N 3.07Å
304Q27.1Very low37.3Very low170 Ų170137.4 Ų137.479%0.79474%0.735SS**  trans-69152.2170.3-121.6170.6-3200110
305E26.4Very low34.2Very low158 Ų158139.1 Ų139.174%0.73876%0.758SS**  trans76.5128.5158.7-64.2172.2-175.100115.1
306D25.5Very low31.3Very low134 Ų134142.7 Ų142.772%0.71778%0.783SS**  cis-157.4140.420.8-97.6-26.7000112.2
307D24.9Very low28.9Very low156 Ų156139 Ų13983%0.83478%0.778SS**  trans49.2137.1135.3-88.1-18.1000126.1
308A25.6Very low27.9Very low90 Ų90137.4 Ų137.474%0.74478%0.783SS**  trans86.2125.7145.200000116.7
309V26.1Very low27.4Very low139 Ų139134.8 Ų134.884%0.84278%0.781SS**  cis-152.7140.617.7166.90000109.4
310C23.1Very low26.8Very low104 Ų104133.5 Ų133.570%0.70378%0.78SS**  trans-63.2143.2171.1-163.60000113
311S24.3Very low26.5Very low100 Ų100137 Ų13770%0.69978%0.784SS**  159.5124.6109.955.60000114.8
312N23.3Very low26.2Very low142 Ų142137.2 Ų137.276%0.75979%0.792SS**  trans41.8127133.2-55.7-34.7000119.8
313I26.3Very low25.8Very low166 Ų166135.8 Ų135.885%0.85179%0.79SS**  178.2138.796.1-83.4163.5000111.1
314K23.8Very low25.8Very low190 Ų190141 Ų14183%0.82680%0.795SS**  trans-22.4141.9165.2-75.5167.1168.6174.20120.6
315A25.2Very low25.7Very low93 Ų93139.8 Ų139.877%0.76980%0.8SS**  trans-1.9134.514000000119.9
316T23.1Very low25.7Very low147 Ų147143.8 Ų143.890%0.90281%0.808SS**  trans-161.8154.3138.210.50000111.5
317S24.7Very low25.7Very low111 Ų111142.6 Ų142.678%0.77681%0.81SS**  trans-79.4-177.5-167.358.90000114.3
318P35.9Very low25.7Very low116 Ų116145.3 Ų145.375%0.75381%0.814SS**  trans-92.3173.4-142.940.4-41000115.3
319P28.2Very low25.6Very low123 Ų123144.4 Ų144.480%0.79981%0.814SS**  -145.4164.112630.8-10.5000117.7
320T24.8Very low25.4Very low127 Ų127144.1 Ų144.178%0.77981%0.812SS**  trans-31.7145.2171.644.10000122.8
321K25.4Very low25.9Very low201 Ų201148.2 Ų148.287%0.87482%0.821SS**  trans54.8123.1138.3-76.1-172.5176.3-179.40121.6
322A25.5Very low25.9Very low94 Ų94148.3 Ų148.378%0.77782%0.822SS**  trans108132.8132.600000119.3
323D24Very low26.1Very low163 Ų163150.2 Ų150.287%0.87283%0.831SS**  trans94129.4154.7-76.1-33.8000123.4
324R28.9Very low25.9Very low236 Ų236149.8 Ų149.889%0.89183%0.825SS**  trans-58.2137179-71.2166.6161.3177.5-5.1112.4
325V24.7Very low26Very low146 Ų146146.4 Ų146.489%0.88582%0.823SS**  trans-157.5147.4132.9169.60000109.3
326R27.7Very low25.9Very low242 Ų242147.3 Ų147.391%0.91382%0.819SS**  trans-99.5125.6-171.2-166.6-173.2-163.1-175.44.5110.7
327S24.7Very low26.2Very low109 Ų109144.7 Ų144.776%0.76281%0.805SS**  trans-172.7107.9154.653.10000109.5
328K24.4Very low26.4Very low213 Ų213143.2 Ų143.293%0.92679%0.794SS**  63113.6102.5-89.3-164.4176.5-172.80115.5
329G23.6Very low26.2Very low71 Ų71145.1 Ų145.173%0.73279%0.793SS**  trans104.6105.8155.100000114.3
330T22.9Very low26.4Very low132 Ų132147.1 Ų147.181%0.8180%0.797SS**  168.8124.7109.3-62.40000109.6
331E33Very low26.9Very low190 Ų190146.2 Ų146.289%0.88878%0.782SS**  trans8.6110157.2-66.1163.2170.500118.6
332S23.5Very low27.3Very low103 Ų103143.6 Ų143.672%0.7278%0.778SS**  trans-106.5121.3157.758.60000108.9Q334S332-Q334 PolarHBondContact O-N 3.09Å; S332-Q334 VanDerWaalsContact O-N 3.09Å
333L28.3Very low27.9Very low182 Ų182146.6 Ų146.695%0.95378%0.78SS**  trans-51.5109.7168.3-69.3155.8000109.6
334Q22.6Very low28.6Very low156 Ų156146.7 Ų146.773%0.72978%0.775SS**  trans-83.7136.9169.7-81.3179.1-39.500109.3S332 V336S332-Q334 PolarHBondContact O-N 3.09Å; S332-Q334 VanDerWaalsContact O-N 3.09Å; Q334-V336 HydrophobicContact CB-CG2 4.36Å; Q334-V336 PolarHBondContact O-N 3.1Å
335P24.3Very low29.2Very low120 Ų120141.1 Ų141.178%0.77977%0.767SS**  trans-73.5112.3148.219-5.1000106.8C337P335-C337 PolarHBondContact O-N 3.01Å
336V24Very low30.1Very low112 Ų112140.1 Ų140.168%0.67975%0.753SS**  trans-76.7116.7178.2175.20000108.1Q334Q334-V336 HydrophobicContact CB-CG2 4.36Å; Q334-V336 PolarHBondContact O-N 3.1Å
337C29Very low31.3Very low91 Ų91138 Ų13862%0.61575%0.753SS**  trans-65.7153.1172.7-72.70000111.9P335 H339P335-C337 PolarHBondContact O-N 3.01Å; C337-H339 PolarHBondContact O-N 2.75Å
338C29.9Very low33.2Very low81 Ų81135.3 Ų135.355%0.54774%0.743SS.*  trans-41115.7177.5-55.60000113.4
339H30Very low36Very low155 Ų155127 Ų12772%0.71871%0.708SS**  trans-87.5145161.9-91.2-55.3000109.6C337 F341C337-H339 PolarHBondContact O-N 2.75Å; H339-F341 PolarHBondContact O-N 3.28Å; H339-F341 VanDerWaalsContact O-N 3.15Å
340D33Very low39.1Very low166 Ų166125.1 Ų125.189%0.88868%0.68SS**  trans-46.6116172.5-73.1-48000111.2N342D340-N342 PolarHBondContact O-N 2.79Å
341F36.4Very low42.5Very low107 Ų107118.9 Ų118.947%0.46964%0.641SS.*  trans-78111.8176.8-73.4-81.3000109.9H339 L343 L349H339-F341 PolarHBondContact O-N 3.28Å; H339-F341 VanDerWaalsContact O-N 3.15Å; F341-L343 PolarHBondContact O-N 3.47Å; F341-L349 HydrophobicContact CD1-CD1 4.18Å; F341-L349 HydrophobicContact CE1-CD1 4.13Å; F341-L349 HydrophobicContact CE1-CD2 4.03Å; F341-L349 HydrophobicContact CZ-CD2 4.01Å
342N32.3Very low45.4Very low147 Ų147109.8 Ų109.879%0.78660%0.599SS**  trans-62.1128.8153.5-88.4-30.2000107.9D340 E344D340-N342 PolarHBondContact O-N 2.79Å; N342-E344 PolarHBondContact O-N 3.46Å
343L38.5Very low48.6Very low156 Ų156105.4 Ų105.482%0.81757%0.567SS**SBendtrans-70.343.9176.8-87.3148.8000112.9F341F341-L343 PolarHBondContact O-N 3.47Å
344E38.8Very low51.7Low166 Ų16696.8 Ų96.878%0.77652%0.521SS*.SBendtrans-93125161.3-70.8-171.6171.400107.3N342 E346N342-E344 PolarHBondContact O-N 3.46Å; E344-E346 PolarHBondContact O-N 2.85Å
345V41.4Very low55Low119 Ų11989.5 Ų89.572%0.72149%0.488SS*.  trans-51.294.6-169.7-179.20000111.8E347V345-E347 PolarHBondContact O-N 3.03Å
346E43.7Very low58.2Low125 Ų12583.8 Ų83.858%0.58445%0.451SS*.  trans-81.9110.8163.3-78.4-172.3161.800108.4E344 G348 L349E344-E346 PolarHBondContact O-N 2.85Å; E346-G348 PolarHBondContact O-N 3.03Å; E346-L349 HydrophobicContact CB-CD1 4.1Å
347E52.8Low61.2Low196 Ų19679.5 Ų79.592%0.91642%0.424SS*.THydrogen-bonded Turntrans-55123.3167.7-69.9-179.6157.700109.2V345V345-E347 PolarHBondContact O-N 3.03Å
348G64.3Low63.8Low54 Ų5475.5 Ų75.556%0.55740%0.396SS*.THydrogen-bonded Turntrans110.89.417400000117.5E346 Y350E346-G348 PolarHBondContact O-N 3.03Å; G348-Y350 VanDerWaalsContact O-CD2 3.23Å; G348-Y350 WeakPolarHBondContact O-CD2 3.47Å; G348-Y350 WeakPolarHBondContact O-CE2 3.46Å
349L83.3Confident66.2Low37 Ų3772 Ų7219%0.19437%0.372CS..  trans-85.5122170.1-74.5164.4000111.7A274 W291 F341 E346A274-L349 HydrophobicContact CB-CB 4.18Å; A274-L349 PolarHBondContact N-O 3.13Å; W291-L349 HydrophobicContact CZ3-CB 4.28Å; F341-L349 HydrophobicContact CD1-CD1 4.18Å; F341-L349 HydrophobicContact CE1-CD1 4.13Å; F341-L349 HydrophobicContact CE1-CD2 4.03Å; F341-L349 HydrophobicContact CZ-CD2 4.01Å; E346-L349 HydrophobicContact CB-CD1 4.1Å
350Y90.1Very high68.6Low33 Ų3364.8 Ų64.813%0.12934%0.339CS..EExtended strand (participates in β ladder)trans-116.5152.7178.7-63.8-95000110.8V214 V219 L271 I272 I292 L294 G348V214-Y350 HydrophobicContact CB-CE1 4.16Å; V214-Y350 HydrophobicContact CG1-CD1 4.18Å; V214-Y350 HydrophobicContact CG1-CE1 3.77Å; V219-Y350 HydrophobicContact CG1-CE1 4.45Å; L271-Y350 HydrophobicContact CD1-CD1 4.46Å; I272-Y350 WeakPolarHBondContact O-CA 3.26Å; I292-Y350 PolarHBondContact N-O 3.3Å; L294-Y350 HydrophobicContact CD1-CD2 3.69Å; L294-Y350 HydrophobicContact CD1-CE2 3.26Å; L294-Y350 HydrophobicContact CD2-CD2 3.9Å; L294-Y350 HydrophobicContact CD2-CE2 4.3Å; L294-Y350 HydrophobicContact CD2-CG 4.19Å; L294-Y350 HydrophobicContact CG-CD2 3.63Å; L294-Y350 HydrophobicContact CG-CE2 3.77Å; L294-Y350 HydrophobicContact CG-CG 4.41Å; G348-Y350 VanDerWaalsContact O-CD2 3.23Å; G348-Y350 WeakPolarHBondContact O-CD2 3.47Å; G348-Y350 WeakPolarHBondContact O-CE2 3.46Å
351L92.9Very high70.7Confident0 Ų058.8 Ų58.80%031%0.305CS..EExtended strand (participates in β ladder)trans-140.5153.717367157000111.2L271 I272 L277 Y289 Y290 W291 R353L271-L351 WeakPolarHBondContact CA-O 3.44Å; L271-L351 WeakPolarHBondContact CD2-O 3.13Å; I272-L351 HydrophobicContact CD1-CD1 4.4Å; I272-L351 HydrophobicContact CD1-CD2 4.21Å; I272-L351 HydrophobicContact CD1-CG 4.19Å; I272-L351 HydrophobicContact CG1-CD2 3.74Å; I272-L351 HydrophobicContact CG1-CG 3.78Å; I272-L351 PolarHBondContact N-O 3.13Å; I272-L351 PolarHBondContact O-N 3.18Å; L277-L351 HydrophobicContact CB-CD2 4.37Å; L277-L351 HydrophobicContact CD1-CD1 4.25Å; L277-L351 HydrophobicContact CD2-CD1 3.89Å; L277-L351 HydrophobicContact CD2-CD2 4.26Å; Y289-L351 HydrophobicContact CD1-CD1 4.08Å; Y289-L351 HydrophobicContact CD2-CD1 4.21Å; Y289-L351 HydrophobicContact CG-CD1 3.82Å; Y290-L351 CarbonylContact O-C 3.5Å; Y290-L351 WeakPolarHBondContact O-CA 3.22Å; Y290-L351 WeakPolarHBondContact O-CB 3.5Å; W291-L351 HydrophobicContact CE3-CB 4.09Å; W291-L351 HydrophobicContact CZ3-CB 4.38Å; W291-L351 HydrophobicContact CZ3-CD2 4.11Å; L351-R353 PolarHBondContact O-N 3.22Å
352L93.7Very high72.6Confident0 Ų058.3 Ų58.30%031%0.305CS..EExtended strand (participates in β ladder)trans-66134166.5-63.7175.4000109.1Y221 I223 P224 L227 L270 L271 Y290 I292 P354 F412Y221-L352 HydrophobicContact CE2-CD2 4.18Å; I223-L352 HydrophobicContact CD1-CD1 4.49Å; I223-L352 HydrophobicContact CD1-CD2 3.93Å; P224-L352 HydrophobicContact CG-CD1 4.36Å; L227-L352 HydrophobicContact CD1-CD1 3.48Å; L227-L352 VanDerWaalsContact CD1-CD1 3.48Å; L270-L352 HydrophobicContact CB-CD2 4.3Å; L270-L352 WeakPolarHBondContact O-CA 3.34Å; L271-L352 HydrophobicContact CD2-CD2 4.05Å; Y290-L352 HydrophobicContact CD2-CD1 4.47Å; Y290-L352 HydrophobicContact CG-CD1 4.29Å; Y290-L352 PolarHBondContact O-N 2.84Å; I292-L352 HydrophobicContact CD1-CD1 4.37Å; I292-L352 HydrophobicContact CD1-CG 4.12Å; I292-L352 HydrophobicContact CG1-CD2 4.36Å; I292-L352 HydrophobicContact CG1-CG 3.94Å; L352-P354 WeakPolarHBondContact O-CD 3.49Å; L352-F412 HydrophobicContact CB-CB 3.89Å; L352-F412 HydrophobicContact CB-CD2 3.8Å; L352-F412 HydrophobicContact CB-CG 4.05Å; L352-F412 HydrophobicContact CD1-CB 4.14Å; L352-F412 HydrophobicContact CD1-CD1 4.29Å; L352-F412 HydrophobicContact CD1-CD2 4.17Å; L352-F412 HydrophobicContact CD1-CG 3.93Å; L352-F412 HydrophobicContact CD2-CD2 4.41Å; L352-F412 HydrophobicContact CG-CD2 4.36Å
353R92.5Very high74.5Confident11 Ų1152.1 Ų52.14%0.04227%0.271CS..  trans-59.1122.8-17668.8-175.2-176.7-151.11.7111.3F268 P269 L270 I272 L351 V410 V411 F412F268-R353 VanDerWaalsContact CB-NH1 3.3Å; F268-R353 PolarHBondContact O-NH1 3.21Å; P269-R353 PolarHBondContact O-NH1 3.43Å; L270-R353 PolarHBondContact O-N 3.15Å; I272-R353 HydrophobicContact CD1-CB 4.44Å; I272-R353 HydrophobicContact CG1-CB 4.45Å; I272-R353 HydrophobicContact CG2-CB 4.08Å; L351-R353 PolarHBondContact O-N 3.22Å; R353-V410 VanDerWaalsContact CZ-O 3.23Å; R353-V410 PolarHBondContact NE-O 3.14Å; R353-V410 PolarHBondContact NH2-O 3.12Å; R353-V411 HydrophobicContact CG-CG1 4.32Å; R353-V411 WeakPolarHBondContact O-CA 3.33Å; R353-F412 PolarHBondContact O-N 3.15Å
354P92.1Very high76.1Confident1 Ų147.1 Ų47.11%0.00625%0.245CC..SBendtrans-87.6-11.3178.235.2-36000113.7L277 L284 Y289 L352 F412 R413L277-P354 HydrophobicContact CD1-CG 4.26Å; L284-P354 HydrophobicContact CD1-CB 3.99Å; L284-P354 HydrophobicContact CD1-CG 3.86Å; Y289-P354 HydrophobicContact CD1-CB 4.04Å; Y289-P354 HydrophobicContact CD1-CG 3.96Å; Y289-P354 HydrophobicContact CE1-CB 4.05Å; Y289-P354 HydrophobicContact CE1-CG 3.75Å; L352-P354 WeakPolarHBondContact O-CD 3.49Å; P354-F412 VanDerWaalsContact CA-O 3.31Å; P354-F412 WeakPolarHBondContact CA-O 3.38Å; P354-R413 HydrophobicContact CB-CG 4.49Å; P354-R413 PolarHBondContact O-NE 3.01Å; P354-R413 PolarHBondContact O-NH2 2.75Å
355S91.3Very high77.5Confident3 Ų344.3 Ų44.32%0.02123%0.234CC..  trans-158.2161.9175.3179.60000109.6L357 P358 Q359 E427S355-L357 VanDerWaalsContact C-N 3.31Å; S355-L357 WeakPolarHBondContact OG-CG 3.24Å; S355-L357 PolarHBondContact OG-N 3.41Å; S355-P358 WeakPolarHBondContact O-CD 3.23Å; S355-Q359 PolarHBondContact O-OE1 2.87Å; S355-E427 VanDerWaalsContact CA-OE2 3.22Å; S355-E427 WeakPolarHBondContact CA-OE2 3.46Å; S355-E427 PolarHBondContact OG-OE1 2.9Å; S355-E427 PolarHBondContact OG-OE2 3.4Å
356L91.4Very high78.4Confident0 Ų042.6 Ų42.60%022%0.221CC..SBendtrans-83.7-0.4173.1-61.9175.3000113.5Q359 L360 V407 V411 E427 L429L356-Q359 VanDerWaalsContact CA-OE1 3.31Å; L356-Q359 PolarHBondContact O-N 2.93Å; L356-Q359 PolarHBondContact O-OE1 3.26Å; L356-L360 PolarHBondContact O-N 3.3Å; L356-V407 HydrophobicContact CB-CG2 3.99Å; L356-V407 HydrophobicContact CD1-CG2 4.19Å; L356-V411 HydrophobicContact CD2-CG1 4.07Å; L356-V411 HydrophobicContact CG-CG1 3.88Å; L356-E427 HydrophobicContact CD1-CB 4Å; L356-E427 HydrophobicContact CD1-CG 4.35Å; L356-E427 VanDerWaalsContact CD1-O 3.31Å; L356-E427 WeakPolarHBondContact CD1-O 3.32Å; L356-E427 HydrophobicContact CG-CB 4.28Å; L356-E427 PolarHBondContact N-OE2 3.15Å; L356-L429 HydrophobicContact CB-CB 4.36Å; L356-L429 HydrophobicContact CB-CD2 4.32Å
357L87.7Confident79Confident22 Ų2239.6 Ų39.612%0.11521%0.211CC..Hα-helixtrans-54.7-44.4178-73.8168.4000113.7S355 Q359 L360 E361 L429 F480S355-L357 VanDerWaalsContact C-N 3.31Å; S355-L357 WeakPolarHBondContact OG-CG 3.24Å; S355-L357 PolarHBondContact OG-N 3.41Å; L357-Q359 VanDerWaalsContact C-N 3.35Å; L357-Q359 PolarHBondContact O-N 3.39Å; L357-L360 PolarHBondContact O-N 3.09Å; L357-E361 PolarHBondContact O-N 2.75Å; L357-E361 VanDerWaalsContact O-N 3.07Å; L357-L429 HydrophobicContact CB-CD2 4.49Å; L357-L429 HydrophobicContact CD2-CD1 3.91Å; L357-L429 HydrophobicContact CD2-CD2 3.56Å; L357-L429 HydrophobicContact CD2-CG 4.4Å; L357-L429 HydrophobicContact CG-CD2 4.05Å; L357-F480 HydrophobicContact CD1-CZ 4.33Å; L357-F480 HydrophobicContact CD2-CE2 4.44Å; L357-F480 HydrophobicContact CD2-CZ 3.76Å
358P83.1Confident78.7Confident6 Ų636.9 Ų36.94%0.03920%0.203CC..Hα-helixtrans-60.2-43177.9-22.433.3000113.1I272 C280 S355 L360 E361 E362I272-P358 HydrophobicContact CD1-CG 4.06Å; C280-P358 HydrophobicContact CB-CB 4.19Å; C280-P358 HydrophobicContact CB-CG 3.96Å; S355-P358 WeakPolarHBondContact O-CD 3.23Å; P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 PolarHBondContact O-N 2.87Å; P358-E361 PolarHBondContact O-N 2.98Å; P358-E362 PolarHBondContact O-N 2.65Å; P358-E362 VanDerWaalsContact O-N 3.11Å
359Q81.6Confident77.3Confident7 Ų739.7 Ų39.73%0.03321%0.21CC..Hα-helixtrans-64.5-39.6179-69.773.912.500111.5F268 S355 L356 L357 L363F268-Q359 HydrophobicContact CB-CG 3.71Å; F268-Q359 HydrophobicContact CD1-CB 3.79Å; F268-Q359 HydrophobicContact CD1-CG 3.69Å; F268-Q359 HydrophobicContact CE1-CB 4.15Å; F268-Q359 HydrophobicContact CG-CB 4.11Å; F268-Q359 HydrophobicContact CG-CG 3.74Å; S355-Q359 PolarHBondContact O-OE1 2.87Å; L356-Q359 VanDerWaalsContact CA-OE1 3.31Å; L356-Q359 PolarHBondContact O-N 2.93Å; L356-Q359 PolarHBondContact O-OE1 3.26Å; L357-Q359 VanDerWaalsContact C-N 3.35Å; L357-Q359 PolarHBondContact O-N 3.39Å; Q359-L363 VanDerWaalsContact O-CG 3.32Å; Q359-L363 WeakPolarHBondContact O-CG 3.32Å; Q359-L363 PolarHBondContact O-N 3.48Å; Q359-L363 VanDerWaalsContact O-N 3.14Å
360L79.6Confident74.9Confident4 Ų441.7 Ų41.72%0.02123%0.227CC..Hα-helixtrans-65.1-42.5176.9-179.474.9000111.7L356 L357 P358 E362 L363 L364 V407 L429 T431L356-L360 PolarHBondContact O-N 3.3Å; L357-L360 PolarHBondContact O-N 3.09Å; P358-L360 VanDerWaalsContact C-N 3.33Å; P358-L360 PolarHBondContact O-N 2.87Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 2.81Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.94Å; L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 2.9Å; L360-V407 HydrophobicContact CB-CG2 4.43Å; L360-L429 HydrophobicContact CB-CD2 3.69Å; L360-L429 HydrophobicContact CD2-CD2 3.52Å; L360-L429 HydrophobicContact CD2-CG 3.89Å; L360-L429 HydrophobicContact CG-CD2 4.17Å; L360-T431 HydrophobicContact CD2-CG2 4.18Å; L360-T431 WeakPolarHBondContact CD2-OG1 3.33Å
361E77.6Confident72.2Confident40 Ų4042.8 Ų42.819%0.18725%0.249CC..Hα-helixtrans-63.3-40.8179-74.8176.6-148.400112C280 L357 P358 L363 L364 I365 R482C280-E361 WeakPolarHBondContact CB-OE1 3.37Å; C280-E361 PolarHBondContact SG-OE2 2.88Å; L357-E361 PolarHBondContact O-N 2.75Å; L357-E361 VanDerWaalsContact O-N 3.07Å; P358-E361 PolarHBondContact O-N 2.98Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.24Å; E361-L364 PolarHBondContact O-N 3.05Å; E361-I365 WeakPolarHBondContact O-CG1 3.39Å; E361-I365 PolarHBondContact O-N 3.38Å; E361-R482 IonicContact OE1-CZ 3.75Å; E361-R482 IonicContact OE1-NH1 3.65Å; E361-R482 PolarHBondContact OE1-NH1 3.39Å; E361-R482 IonicContact OE1-NH2 2.75Å; E361-R482 PolarHBondContact OE1-NH2 3.47Å
362E75.5Confident69.1Low97 Ų9751 Ų5145%0.45329%0.292SS..Hα-helixtrans-59.2-41.2173.1-171.6-180171.600112P358 L360 N366P358-E362 PolarHBondContact O-N 2.65Å; P358-E362 VanDerWaalsContact O-N 3.11Å; L360-E362 VanDerWaalsContact C-N 3.34Å; L360-E362 PolarHBondContact O-N 2.81Å; E362-N366 WeakPolarHBondContact O-CB 3.31Å; E362-N366 VanDerWaalsContact O-CG 3.27Å; E362-N366 PolarHBondContact O-N 3.42Å; E362-N366 VanDerWaalsContact O-N 3.12Å; E362-N366 PolarHBondContact O-ND2 3.07Å; E362-N366 VanDerWaalsContact O-ND2 3.15Å
363L73.3Confident65.9Low17 Ų1755 Ų559%0.08933%0.326CS..Hα-helixtrans-65-39.7176.6-70.6176.8000112.9K264 F268 Q359 L360 E361 N366 T367 V407K264-L363 HydrophobicContact CB-CD1 4.14Å; K264-L363 HydrophobicContact CD-CD1 3.91Å; K264-L363 HydrophobicContact CD-CD2 3.82Å; K264-L363 HydrophobicContact CD-CG 4.45Å; K264-L363 HydrophobicContact CG-CD1 3.96Å; F268-L363 HydrophobicContact CE1-CD1 4.03Å; F268-L363 HydrophobicContact CE1-CD2 4.3Å; F268-L363 HydrophobicContact CE1-CG 4.24Å; F268-L363 HydrophobicContact CZ-CD1 3.81Å; F268-L363 HydrophobicContact CZ-CG 4.49Å; Q359-L363 VanDerWaalsContact O-CG 3.32Å; Q359-L363 WeakPolarHBondContact O-CG 3.32Å; Q359-L363 PolarHBondContact O-N 3.48Å; Q359-L363 VanDerWaalsContact O-N 3.14Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.94Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.24Å; L363-N366 PolarHBondContact O-N 2.67Å; L363-T367 WeakPolarHBondContact O-CG2 3.44Å; L363-T367 PolarHBondContact O-N 3.32Å; L363-T367 PolarHBondContact O-OG1 3.32Å; L363-V407 HydrophobicContact CD1-CG1 3.59Å
364L71.3Confident62.8Low52 Ų5263.3 Ų63.327%0.27237%0.365SS..Hα-helixtrans-67.5-41.9-179.7-69.9170.4000111.4L360 E361 N366 T367 D368 T431L360-L364 HydrophobicContact CG-CD1 4.2Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 2.9Å; E361-L364 PolarHBondContact O-N 3.05Å; L364-N366 VanDerWaalsContact C-N 3.32Å; L364-N366 PolarHBondContact O-N 3Å; L364-T367 WeakPolarHBondContact CA-OG1 3.41Å; L364-T367 PolarHBondContact O-N 2.99Å; L364-T367 PolarHBondContact O-OG1 3.39Å; L364-D368 PolarHBondContact O-N 3.24Å; L364-D368 VanDerWaalsContact O-N 3.07Å; L364-T431 HydrophobicContact CD1-CG2 4.48Å
365I69.5Low59.8Low106 Ų10669.1 Ų69.154%0.54440%0.403SS..Hα-helixtrans-61.6-41.7175.3-65.7164.6000111E361 T367 D368 T369E361-I365 WeakPolarHBondContact O-CG1 3.39Å; E361-I365 PolarHBondContact O-N 3.38Å; I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 3.04Å; I365-D368 PolarHBondContact O-N 2.85Å; I365-T369 PolarHBondContact O-N 3.2Å; I365-T369 PolarHBondContact O-OG1 2.98Å
366N59.6Low56.7Low84 Ų8478.3 Ų78.345%0.44945%0.445SS..Hα-helixtrans-70.2-26.4178.7-72.7-26.7000113E362 L363 L364 T369 S370E362-N366 WeakPolarHBondContact O-CB 3.31Å; E362-N366 VanDerWaalsContact O-CG 3.27Å; E362-N366 PolarHBondContact O-N 3.42Å; E362-N366 VanDerWaalsContact O-N 3.12Å; E362-N366 PolarHBondContact O-ND2 3.07Å; E362-N366 VanDerWaalsContact O-ND2 3.15Å; L363-N366 PolarHBondContact O-N 2.67Å; L364-N366 VanDerWaalsContact C-N 3.32Å; L364-N366 PolarHBondContact O-N 3Å; N366-T369 WeakPolarHBondContact CA-OG1 3.29Å; N366-T369 PolarHBondContact O-OG1 2.66Å; N366-S370 WeakPolarHBondContact O-CB 3.14Å
367T56.4Low53.8Low61 Ų6185.8 Ų85.837%0.37448%0.48SS..Hα-helixtrans-77.8-36.1173.746.50000112.8L363 L364 I365 T369 S370L363-T367 WeakPolarHBondContact O-CG2 3.44Å; L363-T367 PolarHBondContact O-N 3.32Å; L363-T367 PolarHBondContact O-OG1 3.32Å; L364-T367 WeakPolarHBondContact CA-OG1 3.41Å; L364-T367 PolarHBondContact O-N 2.99Å; L364-T367 PolarHBondContact O-OG1 3.39Å; I365-T367 VanDerWaalsContact C-N 3.32Å; I365-T367 PolarHBondContact O-N 3.04Å; T367-T369 VanDerWaalsContact C-N 3.34Å; T367-T369 PolarHBondContact O-N 2.65Å; T367-S370 PolarHBondContact O-N 3.25Å
368D46.8Very low50.9Low139 Ų13994.1 Ų94.174%0.74352%0.519SS*.Hα-helixtrans-70.7-29.6178.6-73.8-19.1000112.7L364 I365 S370L364-D368 PolarHBondContact O-N 3.24Å; L364-D368 VanDerWaalsContact O-N 3.07Å; I365-D368 PolarHBondContact O-N 2.85Å; D368-S370 VanDerWaalsContact C-N 3.31Å
369T34.5Very low48.2Very low113 Ų11399.8 Ų99.869%0.69355%0.547SS*.THydrogen-bonded Turntrans-78.7-13.717445.20000113.7I365 N366 T367I365-T369 PolarHBondContact O-N 3.2Å; I365-T369 PolarHBondContact O-OG1 2.98Å; N366-T369 WeakPolarHBondContact CA-OG1 3.29Å; N366-T369 PolarHBondContact O-OG1 2.66Å; T367-T369 VanDerWaalsContact C-N 3.34Å; T367-T369 PolarHBondContact O-N 2.65Å
370S33.3Very low45.6Very low79 Ų79107.4 Ų107.455%0.55259%0.588SS**THydrogen-bonded Turntrans-96.414.8-179.6177.90000113.6N366 T367 D368 N372N366-S370 WeakPolarHBondContact O-CB 3.14Å; T367-S370 PolarHBondContact O-N 3.25Å; D368-S370 VanDerWaalsContact C-N 3.31Å; S370-N372 VanDerWaalsContact C-N 3.3Å; S370-N372 PolarHBondContact O-N 3.49Å
371G32.3Very low43Very low57 Ų57115.6 Ų115.659%0.58863%0.627SS**  trans-64.280.7-179.700000113.9
372N28.6Very low40.6Very low171 Ų171125.2 Ų125.291%0.91466%0.661SS**  trans165.471149.8-83.8-25.4000109.3S370S370-N372 VanDerWaalsContact C-N 3.3Å; S370-N372 PolarHBondContact O-N 3.49Å
373A26.5Very low38.2Very low86 Ų86126.1 Ų126.171%0.71168%0.678SS**  trans-144.9112.3159.600000108.3
374E26.8Very low35.9Very low184 Ų184134.3 Ų134.386%0.8672%0.716SS**  trans-53146.7168.1-67.6179.1156.800109.9Q376E374-Q376 PolarHBondContact O-N 2.83Å
375P29.8Very low33.9Very low124 Ų124138.7 Ų138.781%0.80574%0.744SS**  trans-69.4109.4176.924.6-23.8000109E377P375-E377 PolarHBondContact O-N 3.4Å
376Q25.2Very low31.7Very low195 Ų195143.1 Ų143.191%0.91176%0.763SS**  trans-75.7101.1166.2-125.9173.1-14.200107.7E374 E378E374-Q376 PolarHBondContact O-N 2.83Å; Q376-E378 PolarHBondContact O-N 3.05Å
377E30Very low30.1Very low157 Ų157142.8 Ų142.873%0.73478%0.779SS**  trans-65.2114.3168.3-66.9-175.9157.500109.5P375 I379P375-E377 PolarHBondContact O-N 3.4Å; E377-I379 HydrophobicContact CB-CG1 4Å; E377-I379 PolarHBondContact O-N 3Å
378E26.8Very low28.6Very low198 Ų198145.3 Ų145.393%0.92580%0.8SS**  trans-77.992.9155.6-80.8-171.6158.700107.9Q376 D380Q376-E378 PolarHBondContact O-N 3.05Å; E378-D380 PolarHBondContact O-N 3.35Å
379I28.3Very low27.6Very low124 Ų124148.4 Ų148.464%0.63681%0.807SS**  trans-77.2110.3170.9-63.7175.6000108.5E377 Q381E377-I379 HydrophobicContact CB-CG1 4Å; E377-I379 PolarHBondContact O-N 3Å; I379-Q381 PolarHBondContact O-N 2.96Å
380D25.9Very low27.2Very low167 Ų167149 Ų14989%0.89381%0.81SS**  trans-71.5112.8161.6-120.9-16.6000108.7E378 R382E378-D380 PolarHBondContact O-N 3.35Å; D380-R382 PolarHBondContact O-N 3.49Å
381Q26Very low26.8Very low176 Ų176153.6 Ų153.682%0.82282%0.823SS**  trans-71.3119.1177.8-70.6177.37.100110.7I379I379-Q381 PolarHBondContact O-N 2.96Å
382R25.8Very low26.3Very low243 Ų243159.3 Ų159.392%0.91783%0.834SS**  trans-170138.3135.6-108.6164.7-167.7-140.62.6115.4D380D380-R382 PolarHBondContact O-N 3.49Å
383S26.4Very low26.2Very low116 Ų116156 Ų15681%0.81183%0.83SS**  trans87.598.3159.868.70000118.7
384E24.8Very low26Very low189 Ų189158.4 Ų158.488%0.88384%0.841SS**  trans-60133.2155.4-60.8171.7149.700110.9
385V27.9Very low26Very low143 Ų143157.6 Ų157.687%0.86784%0.842SS**  trans-144.4118.1144.4179.60000108.3
386E24.8Very low26Very low199 Ų199154.7 Ų154.793%0.9384%0.835SS**  trans-64.5142.6170.7-72.4178.813400112.2
387G25.4Very low26.1Very low77 Ų77151.6 Ų151.679%0.79483%0.833SS**  trans-178.973.4171.900000113.2
388S24.5Very low26.4Very low115 Ų115153 Ų15380%0.80485%0.846SS**  trans-60130.4171.9136.60000112.2
389K26.5Very low26.8Very low204 Ų204146.4 Ų146.489%0.88783%0.831SS**  trans-153127.3138.8-74.8-159.6177.5172.20110.7
390T24.7Very low27.5Very low124 Ų124148.9 Ų148.976%0.76185%0.845SS**  trans-77.6166.7175.135.80000113.6
391E25Very low28.8Very low177 Ų177144.5 Ų144.583%0.82783%0.827SS**  trans109127.2170.5-66.6176.1-177.200112.3
392E23.7Very low31.1Very low177 Ų177137.1 Ų137.183%0.82780%0.795SS**  cis-154.6143.26.3-110.2173.9163.600107.3C394E392-C394 PolarHBondContact O-N 3.32Å
393A24.5Very low34.1Very low100 Ų100128.7 Ų128.783%0.82677%0.768SS**  trans-75.4120.2179.100000110.9
394C23.1Very low37.1Very low138 Ų138123.4 Ų123.493%0.93273%0.73SS**  trans-85.9107.7154.6-90.60000108.2E392E392-C394 PolarHBondContact O-N 3.32Å
395D26.9Very low40.3Very low166 Ų166118 Ų11889%0.88870%0.704SS**  trans-66.8136.9173.6-164.115.4000110.7
396G29.4Very low43.4Very low64 Ų64111.2 Ų111.266%0.6666%0.663SS**  trans99.677.1162.400000117.9
397C26.7Very low46.6Very low129 Ų129101.8 Ų101.887%0.87262%0.619SS**  trans-155.998.8144.2-1020000109.5G399C397-G399 VanDerWaalsContact C-N 3.31Å; C397-G399 PolarHBondContact O-N 3.48Å
398N38.1Very low50Low186 Ų18699.5 Ų99.5100%0.99559%0.591SS**  trans-66.193.3158.3-78.4-20.9000107.4
399G35.1Very low53.3Low60 Ų6094.4 Ų94.462%0.61956%0.557SS**  trans-138.2112-177.800000111.1C397 S401C397-G399 VanDerWaalsContact C-N 3.31Å; C397-G399 PolarHBondContact O-N 3.48Å; G399-S401 PolarHBondContact O-N 3.27Å
400L41.3Very low56.6Low177 Ų17785.6 Ų85.693%0.92752%0.52SS*.  trans-56.8111.2155.4-95.995.9000106.4S402L400-S402 PolarHBondContact O-N 3.41Å; L400-S402 VanDerWaalsContact O-N 3.09Å
401S54.5Low59.9Low75 Ų7579.7 Ų79.752%0.52448%0.484SS..  trans-60.9112.6167.2-178.90000107.2P260 G399 L403P260-S401 WeakPolarHBondContact CD-OG 3.3Å; G399-S401 PolarHBondContact O-N 3.27Å; S401-L403 PolarHBondContact O-N 2.98Å
402S74.3Confident63.3Low20 Ų2071.2 Ų71.214%0.1444%0.444CS..  trans-61106.7176.4-71.90000109.3L400 V433 F434L400-S402 PolarHBondContact O-N 3.41Å; L400-S402 VanDerWaalsContact O-N 3.09Å; S402-V433 VanDerWaalsContact CB-O 3.29Å; S402-V433 WeakPolarHBondContact CB-O 3.25Å; S402-V433 PolarHBondContact OG-O 2.68Å; S402-F434 VanDerWaalsContact CB-CD1 3.49Å; S402-F434 WeakPolarHBondContact OG-CD1 3.47Å
403L87.6Confident66.6Low67 Ų6765.6 Ų65.635%0.35142%0.415SS..PPolyproline II helixtrans-69131.7175174.861.9000109.8P260 S401 F405P260-L403 HydrophobicContact CB-CD1 3.86Å; P260-L403 WeakPolarHBondContact O-CD1 3.27Å; S401-L403 PolarHBondContact O-N 2.98Å; L403-F405 HydrophobicContact CB-CE2 4.37Å; L403-F405 HydrophobicContact CD2-CE1 3.69Å; L403-F405 HydrophobicContact CD2-CE2 3.66Å; L403-F405 HydrophobicContact CD2-CZ 3.2Å; L403-F405 HydrophobicContact CG-CD2 4.28Å; L403-F405 HydrophobicContact CG-CE1 4.27Å; L403-F405 HydrophobicContact CG-CE2 3.83Å; L403-F405 HydrophobicContact CG-CZ 3.85Å
404L90.7Very high69.9Low4 Ų461.5 Ų61.52%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-92.4126.1169.2-72.6177000109.8W259 P260 V261 S262 T431 F434W259-L404 HydrophobicContact CB-CD1 3.82Å; W259-L404 HydrophobicContact CB-CG 3.94Å; W259-L404 HydrophobicContact CD2-CD1 4.29Å; W259-L404 HydrophobicContact CE3-CD1 4.08Å; W259-L404 HydrophobicContact CG-CD1 4.2Å; W259-L404 HydrophobicContact CG-CG 4.38Å; P260-L404 PolarHBondContact O-N 3.22Å; V261-L404 CarbonylContact C-O 3.55Å; V261-L404 WeakPolarHBondContact CA-O 3.45Å; V261-L404 HydrophobicContact CB-CB 4.49Å; V261-L404 HydrophobicContact CG1-CB 4.19Å; V261-L404 HydrophobicContact CG2-CB 4.22Å; V261-L404 HydrophobicContact CG2-CD1 4.26Å; S262-L404 PolarHBondContact N-O 3.33Å; L404-T431 CarbonylContact C-O 3.38Å; L404-T431 WeakPolarHBondContact CA-O 3.26Å; L404-F434 HydrophobicContact CD2-CE2 4.04Å; L404-F434 HydrophobicContact CD2-CZ 3.74Å; L404-F434 HydrophobicContact CG-CZ 4.46Å
405F91.3Very high73.2Confident76 Ų7656 Ų5633%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-100.4138.5169.5-66.2-83.4000109.9S262 L403 L430 T431S262-F405 CarbonylContact O-C 3.55Å; S262-F405 WeakPolarHBondContact O-CA 3.22Å; L403-F405 HydrophobicContact CB-CE2 4.37Å; L403-F405 HydrophobicContact CD2-CE1 3.69Å; L403-F405 HydrophobicContact CD2-CE2 3.66Å; L403-F405 HydrophobicContact CD2-CZ 3.2Å; L403-F405 HydrophobicContact CG-CD2 4.28Å; L403-F405 HydrophobicContact CG-CE1 4.27Å; L403-F405 HydrophobicContact CG-CE2 3.83Å; L403-F405 HydrophobicContact CG-CZ 3.85Å; F405-L430 CarbonylContact O-C 3.6Å; F405-L430 WeakPolarHBondContact O-CA 3.42Å; F405-T431 PolarHBondContact N-O 2.96Å; F405-T431 PolarHBondContact O-N 3.31Å
406G92.1Very high76.4Confident1 Ų152 Ų521%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-134147.3-176.500000114.5S262 M263 K264 L429S262-G406 PolarHBondContact O-N 3.41Å; M263-G406 WeakPolarHBondContact CA-O 3.5Å; M263-G406 VanDerWaalsContact SD-CA 3.58Å; K264-G406 PolarHBondContact N-O 3.02Å; G406-L429 CarbonylContact C-O 3.57Å; G406-L429 VanDerWaalsContact CA-O 3.25Å; G406-L429 WeakPolarHBondContact CA-O 3.39Å
407V93.9Very high79.5Confident1 Ų149.1 Ų49.11%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-129.4147.6166.8-66.80000109.3K264 F268 L356 L360 L363 L429K264-V407 HydrophobicContact CB-CG1 4.12Å; F268-V407 HydrophobicContact CE2-CB 4.12Å; F268-V407 HydrophobicContact CE2-CG1 3.79Å; F268-V407 HydrophobicContact CZ-CG1 3.72Å; L356-V407 HydrophobicContact CB-CG2 3.99Å; L356-V407 HydrophobicContact CD1-CG2 4.19Å; L360-V407 HydrophobicContact CB-CG2 4.43Å; L363-V407 HydrophobicContact CD1-CG1 3.59Å; V407-L429 HydrophobicContact CG2-CB 3.96Å; V407-L429 HydrophobicContact CG2-CD2 4.42Å; V407-L429 PolarHBondContact N-O 3.11Å; V407-L429 PolarHBondContact O-N 2.65Å
408S95Very high82.6Confident28 Ų2845.5 Ų45.520%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-143.8149.9172.958.80000111.5Q248 E427Q248-S408 VanDerWaalsContact OE1-CB 3.23Å; Q248-S408 PolarHBondContact OE1-OG 3.16Å; S408-E427 CarbonylContact C-O 3.55Å; S408-E427 WeakPolarHBondContact CA-O 3.47Å; S408-E427 WeakPolarHBondContact CB-O 3.48Å
409G94.5Very high84.9Confident9 Ų939.5 Ų39.59%0.09324%0.239CC..EExtended strand (participates in β ladder)trans172167.3-173.400000113.1H426 E427G409-H426 WeakPolarHBondContact O-CA 3.33Å; G409-E427 PolarHBondContact N-O 2.81Å; G409-E427 PolarHBondContact O-N 3.26Å
410V95.6Very high87.7Confident18 Ų1839.3 Ų39.311%0.10922%0.22CC..EExtended strand (participates in β ladder)trans-71138.7176.666.40000111L270 R353 F412 A424 F425 W516L270-V410 HydrophobicContact CD2-CG1 3.72Å; R353-V410 VanDerWaalsContact CZ-O 3.23Å; R353-V410 PolarHBondContact NE-O 3.14Å; R353-V410 PolarHBondContact NH2-O 3.12Å; V410-F412 HydrophobicContact CG1-CE2 4.1Å; V410-F412 HydrophobicContact CG1-CZ 3.96Å; V410-F412 HydrophobicContact CG2-CE1 4.16Å; V410-F412 HydrophobicContact CG2-CE2 4.34Å; V410-F412 HydrophobicContact CG2-CZ 3.87Å; V410-A424 HydrophobicContact CG2-CB 4.25Å; V410-F425 CarbonylContact C-O 3.59Å; V410-F425 WeakPolarHBondContact CA-O 3.33Å; V410-W516 HydrophobicContact CG2-CH2 4.14Å
411V95.1Very high90.1Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-130.5158.6174.4-600000109.3R353 L356 A424 F425 E427R353-V411 HydrophobicContact CG-CG1 4.32Å; R353-V411 WeakPolarHBondContact O-CA 3.33Å; L356-V411 HydrophobicContact CD2-CG1 4.07Å; L356-V411 HydrophobicContact CG-CG1 3.88Å; V411-A424 VanDerWaalsContact O-CA 3.31Å; V411-A424 WeakPolarHBondContact O-CA 3.4Å; V411-F425 HydrophobicContact CG2-CD1 4.07Å; V411-F425 HydrophobicContact CG2-CD2 3.86Å; V411-F425 HydrophobicContact CG2-CE1 3.66Å; V411-F425 HydrophobicContact CG2-CE2 3.43Å; V411-F425 VanDerWaalsContact CG2-CE2 3.43Å; V411-F425 HydrophobicContact CG2-CG 4.16Å; V411-F425 HydrophobicContact CG2-CZ 3.31Å; V411-F425 PolarHBondContact N-O 2.63Å; V411-F425 PolarHBondContact O-N 3.44Å; V411-F425 VanDerWaalsContact O-N 3.11Å; V411-E427 HydrophobicContact CG1-CB 4.08Å; V411-E427 HydrophobicContact CG2-CB 4.06Å
412F95.6Very high91.9Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-128137.9-170.7-56.3-87.9000112.3L227 V231 L270 Y290 L352 R353 P354 V410 P423 A424L227-F412 HydrophobicContact CD1-CD1 3.81Å; L227-F412 HydrophobicContact CD1-CE1 4.47Å; L227-F412 HydrophobicContact CD1-CG 4.42Å; L227-F412 HydrophobicContact CD2-CD1 4.25Å; L227-F412 HydrophobicContact CG-CD1 4.5Å; V231-F412 HydrophobicContact CG1-CE1 4.35Å; V231-F412 HydrophobicContact CG1-CZ 3.95Å; L270-F412 HydrophobicContact CB-CE2 4.33Å; L270-F412 HydrophobicContact CD1-CE2 4.09Å; L270-F412 HydrophobicContact CD1-CZ 4.15Å; L270-F412 HydrophobicContact CD2-CE2 4.12Å; L270-F412 HydrophobicContact CG-CE2 4.41Å; Y290-F412 HydrophobicContact CD2-CB 3.98Å; Y290-F412 HydrophobicContact CE2-CB 4.42Å; L352-F412 HydrophobicContact CB-CB 3.89Å; L352-F412 HydrophobicContact CB-CD2 3.8Å; L352-F412 HydrophobicContact CB-CG 4.05Å; L352-F412 HydrophobicContact CD1-CB 4.14Å; L352-F412 HydrophobicContact CD1-CD1 4.29Å; L352-F412 HydrophobicContact CD1-CD2 4.17Å; L352-F412 HydrophobicContact CD1-CG 3.93Å; L352-F412 HydrophobicContact CD2-CD2 4.41Å; L352-F412 HydrophobicContact CG-CD2 4.36Å; R353-F412 PolarHBondContact O-N 3.15Å; P354-F412 VanDerWaalsContact CA-O 3.31Å; P354-F412 WeakPolarHBondContact CA-O 3.38Å; V410-F412 HydrophobicContact CG1-CE2 4.1Å; V410-F412 HydrophobicContact CG1-CZ 3.96Å; V410-F412 HydrophobicContact CG2-CE1 4.16Å; V410-F412 HydrophobicContact CG2-CE2 4.34Å; V410-F412 HydrophobicContact CG2-CZ 3.87Å; F412-P423 CarbonylContact C-O 3.59Å; F412-P423 WeakPolarHBondContact CA-O 3.33Å; F412-A424 HydrophobicContact CD1-CB 3.66Å; F412-A424 HydrophobicContact CE1-CB 3.77Å
413R93.5Very high92.9Very high59 Ų5927.7 Ų27.722%0.22315%0.154CC..  trans-139.6129.1177.4-61.9-174.1-175.1171.6-0.2110.8Q288 Y290 P354 V415 P423 F425Q288-R413 CarbonylContact O-C 3.6Å; Q288-R413 WeakPolarHBondContact O-CA 3.36Å; Y290-R413 WeakPolarHBondContact CE2-O 3.25Å; P354-R413 HydrophobicContact CB-CG 4.49Å; P354-R413 PolarHBondContact O-NE 3.01Å; P354-R413 PolarHBondContact O-NH2 2.75Å; R413-V415 HydrophobicContact CB-CG1 3.79Å; R413-V415 PolarHBondContact O-N 2.89Å; R413-P423 PolarHBondContact N-O 3.39Å; R413-P423 VanDerWaalsContact O-CA 3.29Å; R413-P423 WeakPolarHBondContact O-CA 3.46Å; R413-F425 HydrophobicContact CG-CE1 4.25Å
414S92.7Very high93.3Very high14 Ų1424.5 Ų24.510%0.09814%0.137CC..  trans-74.496.7173.5-171.10000108.7Q288 Y290Q288-S414 PolarHBondContact O-N 2.87Å; Y290-S414 VanDerWaalsContact CE2-N 3.28Å
415V92.6Very high93.6Very high22 Ų2224.9 Ų24.913%0.13314%0.138CC..  trans-124.2142.5-173.9-63.40000111.9R413 A421 P423 R568R413-V415 HydrophobicContact CB-CG1 3.79Å; R413-V415 PolarHBondContact O-N 2.89Å; V415-A421 HydrophobicContact CB-CB 4.12Å; V415-A421 HydrophobicContact CG2-CB 3.79Å; V415-P423 HydrophobicContact CG2-CB 4.5Å; V415-R568 PolarHBondContact O-NH2 2.86Å
416P94.2Very high93.9Very high82 Ų8221.8 Ų21.853%0.53213%0.125SC..  trans-52.8146.8170.8-26.234.9000112S418 A421P416-S418 PolarHBondContact O-N 2.99Å; P416-S418 VanDerWaalsContact O-N 3.15Å; P416-A421 WeakPolarHBondContact O-CB 3.35Å
417I95.6Very high94.2Very high4 Ų421.8 Ų21.82%0.02113%0.125CC..  trans-70.1113.2176.6-62.3168.5000109.5H564 V567 R568 V575 V578I417-H564 HydrophobicContact CD1-CB 4.44Å; I417-H564 HydrophobicContact CG1-CB 4.21Å; I417-H564 PolarHBondContact N-CE1 3.49Å; I417-H564 PolarHBondContact N-ND1 2.75Å; I417-V567 HydrophobicContact CD1-CB 3.64Å; I417-V567 HydrophobicContact CD1-CG1 3.36Å; I417-R568 HydrophobicContact CD1-CG 3.73Å; I417-R568 HydrophobicContact CG1-CG 3.87Å; I417-V575 HydrophobicContact CD1-CG1 4.43Å; I417-V575 HydrophobicContact CG2-CG1 4.14Å; I417-V575 WeakPolarHBondContact CG2-O 3.43Å; I417-V578 HydrophobicContact CB-CB 4.26Å; I417-V578 HydrophobicContact CB-CG2 3.73Å; I417-V578 HydrophobicContact CD1-CG2 3.81Å; I417-V578 HydrophobicContact CG1-CG2 4.33Å; I417-V578 HydrophobicContact CG2-CG2 4.03Å; I417-V578 PolarHBondContact O-N 3.46Å
418S92.1Very high94.3Very high53 Ų5321.8 Ų21.837%0.37112%0.124SC..  trans-147.4167.3167.772.10000109.7P416 W420 A421 E576P416-S418 PolarHBondContact O-N 2.99Å; P416-S418 VanDerWaalsContact O-N 3.15Å; S418-W420 PolarHBondContact O-N 2.98Å; S418-A421 PolarHBondContact O-N 2.7Å; S418-A421 WeakPolarHBondContact OG-CB 3.5Å; S418-A421 PolarHBondContact OG-N 3.1Å; S418-E576 CarbonylContact C-O 3.59Å
419L86.3Confident94.3Very high59 Ų5920.4 Ų20.431%0.30912%0.115SC..THydrogen-bonded Turntrans-50.9-32.2-177.7-84.8162.5000114.4W512 E576L419-W512 PolarHBondContact O-NE1 2.94Å; L419-E576 VanDerWaalsContact CD2-CD 3.4Å; L419-E576 HydrophobicContact CD2-CG 3.35Å; L419-E576 HydrophobicContact CG-CG 3.87Å; L419-E576 PolarHBondContact N-O 3.03Å
420W92.1Very high94.3Very high57 Ų5720.3 Ų20.322%0.21611%0.112CC..THydrogen-bonded Turntrans-122.411.6-173.7-47.1113000113.7S418 L422 P472 M473 L501 V504S418-W420 PolarHBondContact O-N 2.98Å; W420-L422 WeakPolarHBondContact O-CD1 3.44Å; W420-P472 HydrophobicContact CZ2-CG 3.9Å; W420-M473 HydrophobicContact CB-CB 4.42Å; W420-M473 HydrophobicContact CD2-CB 4.45Å; W420-M473 HydrophobicContact CD2-CG 3.73Å; W420-M473 HydrophobicContact CE3-CE 4.18Å; W420-M473 HydrophobicContact CE3-CG 3.74Å; W420-M473 HydrophobicContact CE3-SD 4.45Å; W420-M473 HydrophobicContact CG-CB 4.3Å; W420-M473 HydrophobicContact CG-CG 4.1Å; W420-M473 HydrophobicContact CH2-CE 4.04Å; W420-M473 HydrophobicContact CZ3-CE 3.76Å; W420-M473 HydrophobicContact CZ3-CG 4.23Å; W420-L501 HydrophobicContact CE3-CD2 4.39Å; W420-V504 HydrophobicContact CZ3-CG1 4.07Å
421A91.8Very high94.1Very high19 Ų1919.5 Ų19.516%0.15711%0.108CC..  trans-98.697.6177.200000110.6V415 P416 S418 R568V415-A421 HydrophobicContact CB-CB 4.12Å; V415-A421 HydrophobicContact CG2-CB 3.79Å; P416-A421 WeakPolarHBondContact O-CB 3.35Å; S418-A421 PolarHBondContact O-N 2.7Å; S418-A421 WeakPolarHBondContact OG-CB 3.5Å; S418-A421 PolarHBondContact OG-N 3.1Å; A421-R568 PolarHBondContact O-NH2 3.36Å
422L93.9Very high93.8Very high9 Ų919.7 Ų19.75%0.04711%0.109CC..  trans-86.3118.4-177.3-74.874.4000110.1W420 A424 F425 D500 L501 W512W420-L422 WeakPolarHBondContact O-CD1 3.44Å; L422-A424 PolarHBondContact O-N 3.15Å; L422-F425 HydrophobicContact CB-CB 4.16Å; L422-F425 HydrophobicContact CB-CD1 4.27Å; L422-F425 HydrophobicContact CD2-CB 3.73Å; L422-D500 HydrophobicContact CD2-CB 3.68Å; L422-L501 HydrophobicContact CD1-CD2 3.69Å; L422-L501 HydrophobicContact CD1-CG 4.24Å; L422-W512 HydrophobicContact CD1-CB 4.4Å; L422-W512 HydrophobicContact CD1-CD2 4.02Å; L422-W512 HydrophobicContact CD1-CG 3.84Å; L422-W512 HydrophobicContact CD2-CB 4.28Å; L422-W512 HydrophobicContact CD2-CD2 4.04Å; L422-W512 HydrophobicContact CD2-CE3 3.93Å; L422-W512 HydrophobicContact CD2-CG 4.18Å; L422-W512 HydrophobicContact CG-CB 4.49Å; L422-W512 HydrophobicContact CG-CD2 3.59Å; L422-W512 HydrophobicContact CG-CE3 3.78Å; L422-W512 HydrophobicContact CG-CG 3.9Å; L422-W512 HydrophobicContact CG-CZ2 4.43Å; L422-W512 HydrophobicContact CG-CZ3 4.27Å
423P95.1Very high93.5Very high0 Ų023.2 Ų23.20%013%0.13CC..SBendtrans-72.1-20.8175.632.3-36.1000112.4L227 Y230 F412 R413 V415 W512L227-P423 HydrophobicContact CD2-CB 3.94Å; L227-P423 HydrophobicContact CD2-CG 4.46Å; Y230-P423 HydrophobicContact CE2-CG 4.46Å; F412-P423 CarbonylContact C-O 3.59Å; F412-P423 WeakPolarHBondContact CA-O 3.33Å; R413-P423 PolarHBondContact N-O 3.39Å; R413-P423 VanDerWaalsContact O-CA 3.29Å; R413-P423 WeakPolarHBondContact O-CA 3.46Å; V415-P423 HydrophobicContact CG2-CB 4.5Å; P423-W512 HydrophobicContact CG-CH2 4.44Å
424A96.1Very high93.2Very high0 Ų020.7 Ų20.70%012%0.121CC..EExtended strand (participates in β ladder)trans-142.8139.8171.100000109.6Y230 V410 V411 F412 L422Y230-A424 HydrophobicContact CD1-CB 3.77Å; Y230-A424 HydrophobicContact CD2-CB 4.46Å; Y230-A424 HydrophobicContact CG-CB 3.68Å; V410-A424 HydrophobicContact CG2-CB 4.25Å; V411-A424 VanDerWaalsContact O-CA 3.31Å; V411-A424 WeakPolarHBondContact O-CA 3.4Å; F412-A424 HydrophobicContact CD1-CB 3.66Å; F412-A424 HydrophobicContact CE1-CB 3.77Å; L422-A424 PolarHBondContact O-N 3.15Å
425F97.3Very high92.9Very high11 Ų1122 Ų225%0.04813%0.129CC..EExtended strand (participates in β ladder)trans-156.3164.2176.364.6-87000110.6V410 V411 R413 L422 E427 N498 D500V410-F425 CarbonylContact C-O 3.59Å; V410-F425 WeakPolarHBondContact CA-O 3.33Å; V411-F425 HydrophobicContact CG2-CD1 4.07Å; V411-F425 HydrophobicContact CG2-CD2 3.86Å; V411-F425 HydrophobicContact CG2-CE1 3.66Å; V411-F425 HydrophobicContact CG2-CE2 3.43Å; V411-F425 VanDerWaalsContact CG2-CE2 3.43Å; V411-F425 HydrophobicContact CG2-CG 4.16Å; V411-F425 HydrophobicContact CG2-CZ 3.31Å; V411-F425 PolarHBondContact N-O 2.63Å; V411-F425 PolarHBondContact O-N 3.44Å; V411-F425 VanDerWaalsContact O-N 3.11Å; R413-F425 HydrophobicContact CG-CE1 4.25Å; L422-F425 HydrophobicContact CB-CB 4.16Å; L422-F425 HydrophobicContact CB-CD1 4.27Å; L422-F425 HydrophobicContact CD2-CB 3.73Å; F425-E427 HydrophobicContact CE2-CB 4.19Å; F425-N498 HydrophobicContact CD2-CB 4.05Å; F425-N498 VanDerWaalsContact CD2-ND2 3.32Å; F425-N498 WeakPolarHBondContact CD2-ND2 3.31Å; F425-N498 HydrophobicContact CE2-CB 4.14Å; F425-D500 HydrophobicContact CB-CB 4.1Å
426H97.6Very high92.4Very high12 Ų1225.6 Ų25.66%0.05615%0.147CC..EExtended strand (participates in β ladder)trans-89.4122.9174.8-60.977.7000110.4F235 L236 V244 G409 L499 D500 W516F235-H426 AromaticContact CD2-CE1 3.12Å; F235-H426 WeakPolarHBondContact CD2-CE1 3.43Å; F235-H426 AromaticContact CD2-ND1 3.74Å; F235-H426 AromaticContact CD2-NE2 3.83Å; F235-H426 AromaticContact CE2-CE1 3.81Å; F235-H426 AromaticContact CG-CE1 3.71Å; F235-H426 AromaticContact CG-NE2 3.95Å; L236-H426 HydrophobicContact CD1-CB 4.3Å; V244-H426 HydrophobicContact CG1-CB 3.74Å; G409-H426 WeakPolarHBondContact O-CA 3.33Å; H426-L499 HydrophobicContact CB-CB 4.13Å; H426-L499 HydrophobicContact CB-CD1 4.22Å; H426-L499 WeakPolarHBondContact O-CB 3.41Å; H426-L499 PolarHBondContact O-N 3.39Å; H426-D500 VanDerWaalsContact CB-OD2 3.3Å; H426-D500 WeakPolarHBondContact CB-OD2 3.5Å; H426-D500 IonicContact CG-OD2 3.12Å; H426-D500 PolarHBondContact N-OD2 2.92Å; H426-D500 IonicContact ND1-OD1 3.69Å; H426-D500 IonicContact ND1-OD2 2.92Å; H426-D500 PolarHBondContact ND1-OD2 3.01Å; H426-W516 AromaticContact CE1-CH2 3.38Å; H426-W516 WeakPolarHBondContact CE1-CH2 3.33Å; H426-W516 AromaticContact CE1-CZ2 3.63Å; H426-W516 AromaticContact ND1-CZ2 3.87Å
427E96.8Very high91.7Very high1 Ų129 Ų291%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-96142.2169.8-173.4176.8-139.100109.1S355 L356 S408 G409 V411 F425 S496 L497S355-E427 VanDerWaalsContact CA-OE2 3.22Å; S355-E427 WeakPolarHBondContact CA-OE2 3.46Å; S355-E427 PolarHBondContact OG-OE1 2.9Å; S355-E427 PolarHBondContact OG-OE2 3.4Å; L356-E427 HydrophobicContact CD1-CB 4Å; L356-E427 HydrophobicContact CD1-CG 4.35Å; L356-E427 VanDerWaalsContact CD1-O 3.31Å; L356-E427 WeakPolarHBondContact CD1-O 3.32Å; L356-E427 HydrophobicContact CG-CB 4.28Å; L356-E427 PolarHBondContact N-OE2 3.15Å; S408-E427 CarbonylContact C-O 3.55Å; S408-E427 WeakPolarHBondContact CA-O 3.47Å; S408-E427 WeakPolarHBondContact CB-O 3.48Å; G409-E427 PolarHBondContact N-O 2.81Å; G409-E427 PolarHBondContact O-N 3.26Å; V411-E427 HydrophobicContact CG1-CB 4.08Å; V411-E427 HydrophobicContact CG2-CB 4.06Å; F425-E427 HydrophobicContact CE2-CB 4.19Å; E427-S496 PolarHBondContact OE1-OG 2.84Å; E427-L497 WeakPolarHBondContact CA-O 3.02Å
428I96.6Very high91Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-112.3133156.8-176160.8000108.5Q248 L251 L252 M263 L430 S496 L497 L499Q248-I428 HydrophobicContact CG-CD1 3.92Å; L251-I428 HydrophobicContact CD1-CG2 4.4Å; L252-I428 HydrophobicContact CD2-CD1 4.09Å; L252-I428 HydrophobicContact CG-CD1 4.45Å; M263-I428 HydrophobicContact CE-CD1 4.02Å; M263-I428 HydrophobicContact CE-CG1 4.39Å; M263-I428 HydrophobicContact SD-CD1 4.36Å; I428-L430 HydrophobicContact CD1-CD2 4Å; I428-L430 HydrophobicContact CD1-CG 4.33Å; I428-L430 HydrophobicContact CG1-CD2 4.01Å; I428-L430 HydrophobicContact CG1-CG 4.11Å; I428-S496 WeakPolarHBondContact O-CA 3.47Å; I428-L497 HydrophobicContact CG2-CB 3.73Å; I428-L497 HydrophobicContact CG2-CD1 4.22Å; I428-L497 HydrophobicContact CG2-CG 4.33Å; I428-L497 PolarHBondContact N-O 2.95Å; I428-L497 PolarHBondContact O-N 3.35Å; I428-L499 HydrophobicContact CB-CD1 4.05Å; I428-L499 HydrophobicContact CB-CD2 4.18Å; I428-L499 HydrophobicContact CB-CG 4.09Å; I428-L499 HydrophobicContact CG2-CD1 4.32Å; I428-L499 HydrophobicContact CG2-CD2 3.56Å; I428-L499 HydrophobicContact CG2-CG 3.83Å
429L94.7Very high90.7Very high0 Ų035.8 Ų35.80%019%0.185CC..EExtended strand (participates in β ladder)trans-121.5117.7176.4-17964000108.4L356 L357 L360 G406 V407 A495L356-L429 HydrophobicContact CB-CB 4.36Å; L356-L429 HydrophobicContact CB-CD2 4.32Å; L357-L429 HydrophobicContact CB-CD2 4.49Å; L357-L429 HydrophobicContact CD2-CD1 3.91Å; L357-L429 HydrophobicContact CD2-CD2 3.56Å; L357-L429 HydrophobicContact CD2-CG 4.4Å; L357-L429 HydrophobicContact CG-CD2 4.05Å; L360-L429 HydrophobicContact CB-CD2 3.69Å; L360-L429 HydrophobicContact CD2-CD2 3.52Å; L360-L429 HydrophobicContact CD2-CG 3.89Å; L360-L429 HydrophobicContact CG-CD2 4.17Å; G406-L429 CarbonylContact C-O 3.57Å; G406-L429 VanDerWaalsContact CA-O 3.25Å; G406-L429 WeakPolarHBondContact CA-O 3.39Å; V407-L429 HydrophobicContact CG2-CB 3.96Å; V407-L429 HydrophobicContact CG2-CD2 4.42Å; V407-L429 PolarHBondContact N-O 3.11Å; V407-L429 PolarHBondContact O-N 2.65Å; L429-A495 CarbonylContact C-O 3.57Å; L429-A495 WeakPolarHBondContact CA-O 3.48Å
430L94.4Very high90.8Very high6 Ų633.3 Ų33.33%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-114133.4177.9-59.4178.3000109.5L252 L255 V261 M263 F405 I428 S494 A495L252-L430 HydrophobicContact CD2-CD2 4.09Å; L255-L430 HydrophobicContact CD1-CD1 3.31Å; V261-L430 HydrophobicContact CG1-CD2 4.2Å; M263-L430 HydrophobicContact SD-CD2 3.98Å; F405-L430 CarbonylContact O-C 3.6Å; F405-L430 WeakPolarHBondContact O-CA 3.42Å; I428-L430 HydrophobicContact CD1-CD2 4Å; I428-L430 HydrophobicContact CD1-CG 4.33Å; I428-L430 HydrophobicContact CG1-CD2 4.01Å; I428-L430 HydrophobicContact CG1-CG 4.11Å; L430-S494 CarbonylContact O-C 3.59Å; L430-S494 VanDerWaalsContact O-CA 3.25Å; L430-S494 WeakPolarHBondContact O-CA 3.27Å; L430-A495 PolarHBondContact N-O 3.44Å; L430-A495 PolarHBondContact O-N 2.97Å
431T92.1Very high90.7Very high2 Ų231.7 Ų31.71%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-138.9140.1-177.4-70.70000111.6L360 L364 L404 F405 T492 V493 S494L360-T431 HydrophobicContact CD2-CG2 4.18Å; L360-T431 WeakPolarHBondContact CD2-OG1 3.33Å; L364-T431 HydrophobicContact CD1-CG2 4.48Å; L404-T431 CarbonylContact C-O 3.38Å; L404-T431 WeakPolarHBondContact CA-O 3.26Å; F405-T431 PolarHBondContact N-O 2.96Å; F405-T431 PolarHBondContact O-N 3.31Å; T431-T492 HydrophobicContact CG2-CG2 3.47Å; T431-T492 VanDerWaalsContact CG2-CG2 3.47Å; T431-V493 VanDerWaalsContact CA-O 3.25Å; T431-V493 WeakPolarHBondContact CA-O 3.22Å; T431-S494 WeakPolarHBondContact OG1-CB 3.47Å; T431-S494 PolarHBondContact OG1-OG 2.87Å
432G89.8Confident90.7Very high3 Ų336.4 Ų36.43%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-148.4162.9173.100000112.1F434 T492 V493G432-F434 VanDerWaalsContact C-CE2 3.5Å; G432-F434 WeakPolarHBondContact O-CD2 3.24Å; G432-F434 WeakPolarHBondContact O-CE2 3.06Å; G432-T492 WeakPolarHBondContact O-CA 3.26Å; G432-V493 PolarHBondContact N-O 2.9Å; G432-V493 PolarHBondContact O-N 3.35Å
433V88.4Confident90.6Very high74 Ų7439.8 Ų39.845%0.44820%0.203SC..EExtended strand (participates in β ladder)trans-102126.4175.9-1780000108.7S402 H490S402-V433 VanDerWaalsContact CB-O 3.29Å; S402-V433 WeakPolarHBondContact CB-O 3.25Å; S402-V433 PolarHBondContact OG-O 2.68Å; V433-H490 HydrophobicContact CG1-CB 3.84Å
434F87.6Confident90.5Very high6 Ų640.1 Ų40.13%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-130.4148.6-173.3-64.3-89.1000111.6W259 S402 L404 G432 L436 P440 I444 H490 V491 V493W259-F434 AromaticContact CD1-CE1 3.87Å; W259-F434 AromaticContact NE1-CE1 3.58Å; S402-F434 VanDerWaalsContact CB-CD1 3.49Å; S402-F434 WeakPolarHBondContact OG-CD1 3.47Å; L404-F434 HydrophobicContact CD2-CE2 4.04Å; L404-F434 HydrophobicContact CD2-CZ 3.74Å; L404-F434 HydrophobicContact CG-CZ 4.46Å; G432-F434 VanDerWaalsContact C-CE2 3.5Å; G432-F434 WeakPolarHBondContact O-CD2 3.24Å; G432-F434 WeakPolarHBondContact O-CE2 3.06Å; F434-L436 PolarHBondContact O-N 3.46Å; F434-P440 HydrophobicContact CB-CB 3.38Å; F434-P440 HydrophobicContact CB-CG 3.66Å; F434-P440 HydrophobicContact CD1-CB 4.11Å; F434-P440 HydrophobicContact CD2-CB 4Å; F434-P440 HydrophobicContact CG-CB 3.57Å; F434-P440 HydrophobicContact CG-CG 4.34Å; F434-I444 HydrophobicContact CE2-CD1 3.87Å; F434-I444 HydrophobicContact CZ-CD1 3.95Å; F434-H490 CarbonylContact O-C 3.58Å; F434-H490 VanDerWaalsContact O-CA 3.27Å; F434-H490 WeakPolarHBondContact O-CA 3.33Å; F434-V491 PolarHBondContact N-O 2.82Å; F434-V491 PolarHBondContact O-N 2.8Å; F434-V493 HydrophobicContact CD2-CB 4.06Å; F434-V493 HydrophobicContact CD2-CG2 4.1Å; F434-V493 HydrophobicContact CE2-CB 4.24Å
435P86.3Confident90.4Very high41 Ų4140.2 Ų40.227%0.26621%0.206SC..EExtended strand (participates in β ladder)trans-60.9134.8168.1-21.433.3000111.2E437 N438 N489P435-E437 PolarHBondContact O-N 3.08Å; P435-N438 PolarHBondContact O-N 2.91Å; P435-N489 WeakPolarHBondContact CA-O 3.47Å
436L81Confident90.3Very high99 Ų9945.1 Ų45.152%0.51823%0.229SC..G310 helixtrans-65.5-28.1-175-151136000112.5F434 N438 E439 N489 V491F434-L436 PolarHBondContact O-N 3.46Å; L436-N438 PolarHBondContact O-N 3.04Å; L436-E439 PolarHBondContact O-N 2.85Å; L436-N489 WeakPolarHBondContact CB-O 3.29Å; L436-N489 PolarHBondContact N-O 3.23Å; L436-V491 HydrophobicContact CD1-CB 4.15Å
437E80.7Confident90.2Very high154 Ų15446 Ų4672%0.7223%0.233SC*.G310 helixtrans-63.6-22.8178.3-63.4174.4-16000113.3P435 E439 N489P435-E437 PolarHBondContact O-N 3.08Å; E437-E439 VanDerWaalsContact C-N 3.34Å; E437-E439 PolarHBondContact O-N 3.23Å; E437-N489 PolarHBondContact OE1-ND2 3.24Å
438N80.3Confident90.2Very high89 Ų8946 Ų4648%0.47623%0.233SC..G310 helixtrans-896.4-174.2-70.3-15.4000114P435 L436 L443P435-N438 PolarHBondContact O-N 2.91Å; L436-N438 PolarHBondContact O-N 3.04Å; N438-L443 HydrophobicContact CB-CD1 4Å; N438-L443 WeakPolarHBondContact O-CD1 3.44Å; N438-L443 WeakPolarHBondContact O-CG 3.35Å
439E86.6Confident90.2Very high110 Ų11050.1 Ų50.151%0.51425%0.252SS..  trans43.854.8-174.3-56.7-162114.100113.4L436 E437 V441 K442 L443L436-E439 PolarHBondContact O-N 2.85Å; E437-E439 VanDerWaalsContact C-N 3.34Å; E437-E439 PolarHBondContact O-N 3.23Å; E439-V441 VanDerWaalsContact C-N 3.27Å; E439-V441 PolarHBondContact O-N 3.1Å; E439-V441 VanDerWaalsContact O-N 3.07Å; E439-K442 HydrophobicContact CB-CB 4.38Å; E439-K442 HydrophobicContact CB-CD 4.09Å; E439-K442 WeakPolarHBondContact O-CB 3.34Å; E439-K442 PolarHBondContact O-N 3.22Å; E439-K442 IonicContact OE1-NZ 3.58Å; E439-K442 PolarHBondContact OE1-NZ 2.93Å; E439-K442 VanDerWaalsContact OE2-CD 3.3Å; E439-K442 WeakPolarHBondContact OE2-CD 3.48Å; E439-K442 IonicContact OE2-NZ 2.81Å; E439-K442 PolarHBondContact OE2-NZ 2.95Å; E439-L443 PolarHBondContact O-N 3.2Å
440P87.3Confident90.3Very high7 Ų752.9 Ų52.95%0.04528%0.275CS..Hα-helixtrans-62.2-28.3-162.123.3-35000114.9F434 K442 L443 I444 V491 V493F434-P440 HydrophobicContact CB-CB 3.38Å; F434-P440 HydrophobicContact CB-CG 3.66Å; F434-P440 HydrophobicContact CD1-CB 4.11Å; F434-P440 HydrophobicContact CD2-CB 4Å; F434-P440 HydrophobicContact CG-CB 3.57Å; F434-P440 HydrophobicContact CG-CG 4.34Å; P440-K442 VanDerWaalsContact C-N 3.31Å; P440-K442 PolarHBondContact O-N 3.18Å; P440-L443 PolarHBondContact O-N 3.18Å; P440-I444 PolarHBondContact O-N 3.26Å; P440-V491 HydrophobicContact CG-CG1 3.39Å; P440-V493 HydrophobicContact CB-CG2 3.82Å; P440-V493 HydrophobicContact CG-CG2 3.68Å
441V90.6Very high90.5Very high23 Ų2353.8 Ų53.814%0.13928%0.28CS..Hα-helixtrans-59.2-43.2172.4173.30000111.1E439 G445 L466 V479 A481 V493E439-V441 VanDerWaalsContact C-N 3.27Å; E439-V441 PolarHBondContact O-N 3.1Å; E439-V441 VanDerWaalsContact O-N 3.07Å; V441-G445 PolarHBondContact O-N 3.34Å; V441-L466 HydrophobicContact CG1-CD1 3.83Å; V441-L466 HydrophobicContact CG1-CG 3.69Å; V441-L466 WeakPolarHBondContact O-CD1 3.42Å; V441-V479 HydrophobicContact CG1-CG1 4.22Å; V441-A481 HydrophobicContact CG2-CB 3.83Å; V441-V493 HydrophobicContact CG2-CG1 3.95Å; V441-V493 HydrophobicContact CG2-CG2 4.02Å
442K91.1Very high90.8Very high118 Ų11853.7 Ų53.751%0.51328%0.279SS..Hα-helixtrans-70.4-37.1177.9-68.1177.3179.5165.40111.9E439 P440 G445 H446E439-K442 HydrophobicContact CB-CB 4.38Å; E439-K442 HydrophobicContact CB-CD 4.09Å; E439-K442 WeakPolarHBondContact O-CB 3.34Å; E439-K442 PolarHBondContact O-N 3.22Å; E439-K442 IonicContact OE1-NZ 3.58Å; E439-K442 PolarHBondContact OE1-NZ 2.93Å; E439-K442 VanDerWaalsContact OE2-CD 3.3Å; E439-K442 WeakPolarHBondContact OE2-CD 3.48Å; E439-K442 IonicContact OE2-NZ 2.81Å; E439-K442 PolarHBondContact OE2-NZ 2.95Å; P440-K442 VanDerWaalsContact C-N 3.31Å; P440-K442 PolarHBondContact O-N 3.18Å; K442-G445 PolarHBondContact O-N 3.1Å; K442-H446 WeakPolarHBondContact O-CB 3.35Å; K442-H446 PolarHBondContact O-N 3.39Å
443L91.7Very high91.2Very high79 Ų7956.3 Ų56.341%0.41430%0.297SS..Hα-helixtrans-61.6-51.5176.9-70.7177.4000111.7W259 N438 E439 P440 G445 H446 E447W259-L443 HydrophobicContact CZ2-CB 4.34Å; N438-L443 HydrophobicContact CB-CD1 4Å; N438-L443 WeakPolarHBondContact O-CD1 3.44Å; N438-L443 WeakPolarHBondContact O-CG 3.35Å; E439-L443 PolarHBondContact O-N 3.2Å; P440-L443 PolarHBondContact O-N 3.18Å; L443-G445 VanDerWaalsContact C-N 3.29Å; L443-G445 PolarHBondContact O-N 3.39Å; L443-H446 PolarHBondContact O-N 3.36Å; L443-E447 PolarHBondContact O-N 3.36Å
444I93.1Very high91.6Very high7 Ų757.3 Ų57.34%0.03631%0.305CS..Hα-helixtrans-63.4-40.6176.7-64.8177.6000110.3W259 F434 P440 H446 E447 L448 V479 V493 A495W259-I444 HydrophobicContact CH2-CG1 4.32Å; F434-I444 HydrophobicContact CE2-CD1 3.87Å; F434-I444 HydrophobicContact CZ-CD1 3.95Å; P440-I444 PolarHBondContact O-N 3.26Å; I444-H446 PolarHBondContact O-N 3.1Å; I444-E447 PolarHBondContact O-N 3.38Å; I444-L448 HydrophobicContact CG2-CD1 3.89Å; I444-L448 HydrophobicContact CG2-CG 4.32Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 3.34Å; I444-V479 HydrophobicContact CB-CG1 4.22Å; I444-V479 HydrophobicContact CG2-CG1 4.03Å; I444-V479 HydrophobicContact CG2-CG2 4.2Å; I444-V493 HydrophobicContact CD1-CB 4.18Å; I444-V493 HydrophobicContact CD1-CG1 3.74Å; I444-A495 HydrophobicContact CG2-CB 4.35Å
445G94.5Very high92.1Very high3 Ų359.8 Ų59.83%0.03132%0.315CS..Hα-helixtrans-55.2-49.4174.300000112.9V441 K442 L443 E447 L448 E449 I459V441-G445 PolarHBondContact O-N 3.34Å; K442-G445 PolarHBondContact O-N 3.1Å; L443-G445 VanDerWaalsContact C-N 3.29Å; L443-G445 PolarHBondContact O-N 3.39Å; G445-E447 VanDerWaalsContact C-N 3.35Å; G445-E447 PolarHBondContact O-N 2.87Å; G445-L448 PolarHBondContact O-N 3.09Å; G445-E449 WeakPolarHBondContact O-CB 3.37Å; G445-E449 PolarHBondContact O-N 2.91Å; G445-I459 WeakPolarHBondContact O-CD1 3.38Å
446H94.9Very high92.6Very high113 Ų11360.1 Ų60.152%0.52333%0.326SS..Hα-helixtrans-58.9-44.1178.8178-90.2000112.2K442 L443 I444 E449 A450K442-H446 WeakPolarHBondContact O-CB 3.35Å; K442-H446 PolarHBondContact O-N 3.39Å; L443-H446 PolarHBondContact O-N 3.36Å; I444-H446 PolarHBondContact O-N 3.1Å; H446-E449 PolarHBondContact O-N 3.06Å; H446-A450 WeakPolarHBondContact O-CB 3.19Å; H446-A450 PolarHBondContact O-N 3.32Å
447E95.7Very high93.4Very high30 Ų3055.7 Ų55.714%0.1430%0.303CS..Hα-helixtrans-66.5-41.6178.1-69.2-50.4122.800112.5L255 H258 W259 L443 I444 G445 E449 A450 L451L255-E447 HydrophobicContact CD2-CB 4.02Å; H258-E447 IonicContact CE1-OE1 2.72Å; H258-E447 IonicContact CE1-OE2 2.82Å; H258-E447 PolarHBondContact CE1-OE2 3.47Å; H258-E447 IonicContact ND1-OE2 3.1Å; H258-E447 PolarHBondContact ND1-OE2 3.05Å; H258-E447 VanDerWaalsContact ND1-OE2 3.12Å; H258-E447 IonicContact NE2-OE2 3.7Å; W259-E447 HydrophobicContact CH2-CB 4.29Å; W259-E447 HydrophobicContact CH2-CG 3.56Å; W259-E447 HydrophobicContact CZ3-CB 4.07Å; W259-E447 HydrophobicContact CZ3-CG 3.64Å; L443-E447 PolarHBondContact O-N 3.36Å; I444-E447 PolarHBondContact O-N 3.38Å; G445-E447 VanDerWaalsContact C-N 3.35Å; G445-E447 PolarHBondContact O-N 2.87Å; E447-E449 VanDerWaalsContact C-N 3.33Å; E447-E449 PolarHBondContact O-N 3.21Å; E447-A450 PolarHBondContact O-N 3.39Å; E447-L451 VanDerWaalsContact O-CG 3.31Å; E447-L451 WeakPolarHBondContact O-CG 3.44Å; E447-L451 PolarHBondContact O-N 3.09Å
448L97.1Very high94.1Very high1 Ų151 Ų511%0.00529%0.287CS..Hα-helixtrans-64.9-38174.4-69.8174.3000111.8L251 L255 I444 G445 L451 L452 I459 L468 V479 A495 L497L251-L448 HydrophobicContact CD2-CD2 4.29Å; L255-L448 HydrophobicContact CD1-CD2 4.33Å; L255-L448 HydrophobicContact CD2-CD2 4.3Å; I444-L448 HydrophobicContact CG2-CD1 3.89Å; I444-L448 HydrophobicContact CG2-CG 4.32Å; I444-L448 WeakPolarHBondContact O-CG 3.38Å; I444-L448 PolarHBondContact O-N 3.34Å; G445-L448 PolarHBondContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.05Å; L448-L452 VanDerWaalsContact O-CB 3.22Å; L448-L452 WeakPolarHBondContact O-CB 3.2Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.16Å; L448-I459 HydrophobicContact CB-CD1 4.37Å; L448-L468 HydrophobicContact CB-CD2 4.2Å; L448-L468 HydrophobicContact CD1-CD1 4.44Å; L448-L468 HydrophobicContact CD1-CD2 4.26Å; L448-V479 HydrophobicContact CD1-CG2 3.63Å; L448-A495 HydrophobicContact CD1-CB 4.43Å; L448-L497 HydrophobicContact CD1-CD2 4.39Å; L448-L497 HydrophobicContact CD2-CD1 4.03Å
449E96.9Very high94.9Very high88 Ų8848.4 Ų48.441%0.41127%0.273SS..Hα-helixtrans-63.7-44.2175.1-172.5168.4-15600111.4G445 H446 E447 L451 L452 S453 I459G445-E449 WeakPolarHBondContact O-CB 3.37Å; G445-E449 PolarHBondContact O-N 2.91Å; H446-E449 PolarHBondContact O-N 3.06Å; E447-E449 VanDerWaalsContact C-N 3.33Å; E447-E449 PolarHBondContact O-N 3.21Å; E449-L451 VanDerWaalsContact C-N 3.29Å; E449-L451 PolarHBondContact O-N 3.46Å; E449-L452 PolarHBondContact O-N 3.27Å; E449-S453 WeakPolarHBondContact O-CB 3.39Å; E449-S453 PolarHBondContact O-N 3.34Å; E449-S453 PolarHBondContact O-OG 2.92Å; E449-I459 HydrophobicContact CB-CD1 3.73Å; E449-I459 HydrophobicContact CB-CG1 4.15Å; E449-I459 HydrophobicContact CG-CG1 4.48Å
450A97.3Very high95.3Very high58 Ų5846.7 Ų46.748%0.47927%0.27SS..Hα-helixtrans-60.7-38.8176.500000112.2H446 E447H446-A450 WeakPolarHBondContact O-CB 3.19Å; H446-A450 PolarHBondContact O-N 3.32Å; E447-A450 PolarHBondContact O-N 3.39Å
451L97.6Very high95.5Very high25 Ų2551.3 Ų51.313%0.13130%0.298CS..Hα-helixtrans-75.1-37.2178.5-69.4170.4000113.2F250 L255 E447 L448 E449 Y455F250-L451 HydrophobicContact CE1-CB 4.21Å; F250-L451 HydrophobicContact CE1-CD2 4.38Å; F250-L451 HydrophobicContact CE2-CD2 4.39Å; F250-L451 HydrophobicContact CZ-CB 4.31Å; F250-L451 HydrophobicContact CZ-CD2 3.91Å; L255-L451 HydrophobicContact CG-CD1 4.46Å; E447-L451 VanDerWaalsContact O-CG 3.31Å; E447-L451 WeakPolarHBondContact O-CG 3.44Å; E447-L451 PolarHBondContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.05Å; E449-L451 VanDerWaalsContact C-N 3.29Å; E449-L451 PolarHBondContact O-N 3.46Å; L451-Y455 WeakPolarHBondContact O-CE2 3.15Å
452L98.3Very high95.3Very high0 Ų055.1 Ų55.10%031%0.314CS..Hα-helixtrans-110-21.2-163.7-60.4176.1000114.8F250 L251 L448 E449 P454 Y455 V457 L468 L502 L506F250-L452 HydrophobicContact CE1-CD2 4.4Å; L251-L452 HydrophobicContact CD2-CD1 4.28Å; L251-L452 HydrophobicContact CD2-CD2 4.07Å; L251-L452 HydrophobicContact CD2-CG 4.4Å; L448-L452 VanDerWaalsContact O-CB 3.22Å; L448-L452 WeakPolarHBondContact O-CB 3.2Å; L448-L452 WeakPolarHBondContact O-CG 3.39Å; L448-L452 PolarHBondContact O-N 3.16Å; E449-L452 PolarHBondContact O-N 3.27Å; L452-P454 VanDerWaalsContact C-N 3.34Å; L452-Y455 PolarHBondContact O-N 2.8Å; L452-V457 HydrophobicContact CB-CB 3.75Å; L452-V457 HydrophobicContact CB-CG1 4.17Å; L452-V457 HydrophobicContact CB-CG2 3.96Å; L452-V457 PolarHBondContact O-N 2.76Å; L452-L468 HydrophobicContact CD1-CD2 3.74Å; L452-L502 HydrophobicContact CD1-CD2 4.01Å; L452-L502 HydrophobicContact CD2-CD2 4.01Å; L452-L506 HydrophobicContact CD2-CD1 4.2Å
453S97.5Very high94.8Very high57 Ų5758.5 Ų58.540%0.39933%0.332SS..G310 helixtrans-58.3-33.2176.862.70000115E449 Y455 G456 V457E449-S453 WeakPolarHBondContact O-CB 3.39Å; E449-S453 PolarHBondContact O-N 3.34Å; E449-S453 PolarHBondContact O-OG 2.92Å; S453-Y455 PolarHBondContact O-N 2.91Å; S453-Y455 VanDerWaalsContact O-N 3.09Å; S453-G456 PolarHBondContact O-N 2.91Å; S453-G456 VanDerWaalsContact O-N 3.1Å; S453-V457 WeakPolarHBondContact CA-O 3.48Å
454P97.7Very high94.3Very high95 Ų9563.1 Ų63.162%0.61735%0.348SS*.G310 helixtrans-61.4-20.2174.3-23.736.3000113.7L452L452-P454 VanDerWaalsContact C-N 3.34Å
455Y97.3Very high94.2Very high58 Ų5863.3 Ų63.323%0.22735%0.35CS..G310 helixtrans-103.312.9-178.7-50.1-71.5000112.9F250 L451 L452 S453 L506 P532F250-Y455 HydrophobicContact CE1-CE2 4.35Å; F250-Y455 HydrophobicContact CZ-CE2 4.19Å; L451-Y455 WeakPolarHBondContact O-CE2 3.15Å; L452-Y455 PolarHBondContact O-N 2.8Å; S453-Y455 PolarHBondContact O-N 2.91Å; S453-Y455 VanDerWaalsContact O-N 3.09Å; Y455-L506 HydrophobicContact CD1-CD1 4.42Å; Y455-L506 HydrophobicContact CD1-CG 4.17Å; Y455-L506 HydrophobicContact CD2-CD1 3.72Å; Y455-L506 HydrophobicContact CD2-CG 3.83Å; Y455-L506 HydrophobicContact CE1-CG 4.44Å; Y455-L506 HydrophobicContact CE2-CD1 4.45Å; Y455-L506 HydrophobicContact CE2-CG 4.11Å; Y455-L506 HydrophobicContact CG-CD1 3.69Å; Y455-L506 HydrophobicContact CG-CG 3.86Å; Y455-P532 HydrophobicContact CE1-CB 4.24Å; Y455-P532 HydrophobicContact CE2-CB 4.39Å; Y455-P532 WeakPolarHBondContact OH-CB 3.45Å; Y455-P532 PolarHBondContact OH-O 3.04Å
456G96.6Very high94.2Very high49 Ų4963.7 Ų63.751%0.50535%0.352SS..THydrogen-bonded Turntrans84.913.7174.700000115.2S453 A470S453-G456 PolarHBondContact O-N 2.91Å; S453-G456 VanDerWaalsContact O-N 3.1Å; G456-A470 WeakPolarHBondContact O-CB 3.29Å
457V97.8Very high94.3Very high5 Ų559.7 Ų59.73%0.0333%0.333CS..  trans-84.4127.9170.3-176.60000109.2L452 S453 L468 V469 I476 L502 L505L452-V457 HydrophobicContact CB-CB 3.75Å; L452-V457 HydrophobicContact CB-CG1 4.17Å; L452-V457 HydrophobicContact CB-CG2 3.96Å; L452-V457 PolarHBondContact O-N 2.76Å; S453-V457 WeakPolarHBondContact CA-O 3.48Å; V457-L468 HydrophobicContact CG1-CB 3.98Å; V457-L468 HydrophobicContact CG1-CD2 4.23Å; V457-L468 HydrophobicContact CG1-CG 4.44Å; V457-V469 WeakPolarHBondContact CA-O 3.49Å; V457-I476 HydrophobicContact CG2-CD1 4.18Å; V457-L502 HydrophobicContact CG2-CD2 4.05Å; V457-L505 HydrophobicContact CG2-CD1 3.65Å
458S97.1Very high94.4Very high57 Ų5758.2 Ų58.240%0.39933%0.327SS..EExtended strand (participates in β ladder)trans-112.7156.4170.959.90000110.9L468 V469S458-L468 WeakPolarHBondContact O-CA 3.32Å; S458-V469 PolarHBondContact N-O 3.03Å; S458-V469 PolarHBondContact O-N 3.3Å; S458-V469 VanDerWaalsContact OG-CG2 3.27Å; S458-V469 WeakPolarHBondContact OG-CG2 3.23Å
459I96.4Very high94.4Very high34 Ų3459.5 Ų59.517%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-109.2129.2177.1-55.6-161.7000109.4G445 L448 E449 L466 H467 L468G445-I459 WeakPolarHBondContact O-CD1 3.38Å; L448-I459 HydrophobicContact CB-CD1 4.37Å; E449-I459 HydrophobicContact CB-CD1 3.73Å; E449-I459 HydrophobicContact CB-CG1 4.15Å; E449-I459 HydrophobicContact CG-CG1 4.48Å; I459-L466 HydrophobicContact CG2-CB 3.71Å; I459-L466 HydrophobicContact CG2-CD1 4.29Å; I459-L466 HydrophobicContact CG2-CD2 4.21Å; I459-L466 HydrophobicContact CG2-CG 4.29Å; I459-H467 CarbonylContact C-O 3.46Å; I459-H467 WeakPolarHBondContact CA-O 3.29Å; I459-L468 HydrophobicContact CD1-CG 4.21Å; I459-L468 HydrophobicContact CG1-CG 4.18Å
460V94.7Very high94.4Very high74 Ų7455.4 Ų55.445%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-118.2129.3176.7-1780000108.8H467 V469V460-H467 PolarHBondContact N-O 2.79Å; V460-H467 PolarHBondContact O-N 2.82Å; V460-V469 HydrophobicContact CG2-CG2 3.89Å
461T91.9Very high94.3Very high103 Ų10360.2 Ų60.263%0.63233%0.328SS*.EExtended strand (participates in β ladder)trans-82.3123.7175.3-52.60000110L466T461-L466 HydrophobicContact CG2-CD2 4.05Å; T461-L466 WeakPolarHBondContact OG1-CD2 3.4Å
462E85.6Confident94Very high103 Ų10363.1 Ų63.148%0.48135%0.348SS..EExtended strand (participates in β ladder)trans-129.3116.6174.8-168.4166.5-170.300109.1K464 S465 H467E462-K464 PolarHBondContact O-N 2.87Å; E462-S465 PolarHBondContact N-O 2.99Å; E462-S465 PolarHBondContact O-N 2.79Å; E462-S465 PolarHBondContact O-OG 3.49Å; E462-H467 IonicContact OE2-CE1 2.82Å; E462-H467 PolarHBondContact OE2-CE1 3.31Å; E462-H467 IonicContact OE2-CG 2.9Å; E462-H467 IonicContact OE2-ND1 2.71Å; E462-H467 PolarHBondContact OE2-ND1 2.85Å
463E82.1Confident93.8Very high189 Ų18964.2 Ų64.288%0.88335%0.354SS*.THydrogen-bonded Turntrans52.8-104.5-172.5-56.7-175.3164.800113.7
464K81.1Confident93.6Very high176 Ų17662.8 Ų62.877%0.76535%0.348SS*.THydrogen-bonded Turntrans-115.315.5178.8-64.9-174.3179.5-179.90112.6E462E462-K464 PolarHBondContact O-N 2.87Å
465S90.5Very high93.4Very high11 Ų1162.9 Ų62.98%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-126.7158.6179.751.70000111.8E462 H467 K478 V479E462-S465 PolarHBondContact N-O 2.99Å; E462-S465 PolarHBondContact O-N 2.79Å; E462-S465 PolarHBondContact O-OG 3.49Å; S465-H467 PolarHBondContact OG-NE2 2.84Å; S465-K478 VanDerWaalsContact OG-CE 3.23Å; S465-K478 WeakPolarHBondContact OG-CE 3.45Å; S465-V479 CarbonylContact C-O 3.51Å; S465-V479 VanDerWaalsContact CA-O 3.23Å; S465-V479 WeakPolarHBondContact CA-O 3.41Å; S465-V479 VanDerWaalsContact CB-O 3.28Å; S465-V479 WeakPolarHBondContact CB-O 3.47Å
466L95.3Very high93.3Very high12 Ų1260.3 Ų60.36%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-109.8126174-58.3178.6000108.5V441 I459 T461 K478 V479V441-L466 HydrophobicContact CG1-CD1 3.83Å; V441-L466 HydrophobicContact CG1-CG 3.69Å; V441-L466 WeakPolarHBondContact O-CD1 3.42Å; I459-L466 HydrophobicContact CG2-CB 3.71Å; I459-L466 HydrophobicContact CG2-CD1 4.29Å; I459-L466 HydrophobicContact CG2-CD2 4.21Å; I459-L466 HydrophobicContact CG2-CG 4.29Å; T461-L466 HydrophobicContact CG2-CD2 4.05Å; T461-L466 WeakPolarHBondContact OG1-CD2 3.4Å; L466-K478 CarbonylContact O-C 3.59Å; L466-K478 VanDerWaalsContact O-CA 3.25Å; L466-K478 WeakPolarHBondContact O-CA 3.41Å; L466-V479 HydrophobicContact CB-CB 4.18Å; L466-V479 PolarHBondContact N-O 2.54Å; L466-V479 PolarHBondContact O-N 3.39Å
467H96.2Very high93.3Very high28 Ų2858.2 Ų58.213%0.1331%0.311CS..EExtended strand (participates in β ladder)trans-101.6120.5178-72.1-177.8000109I459 V460 E462 S465 V469 L475 K478I459-H467 CarbonylContact C-O 3.46Å; I459-H467 WeakPolarHBondContact CA-O 3.29Å; V460-H467 PolarHBondContact N-O 2.79Å; V460-H467 PolarHBondContact O-N 2.82Å; E462-H467 IonicContact OE2-CE1 2.82Å; E462-H467 PolarHBondContact OE2-CE1 3.31Å; E462-H467 IonicContact OE2-CG 2.9Å; E462-H467 IonicContact OE2-ND1 2.71Å; E462-H467 PolarHBondContact OE2-ND1 2.85Å; S465-H467 PolarHBondContact OG-NE2 2.84Å; H467-V469 HydrophobicContact CB-CG1 4.4Å; H467-L475 HydrophobicContact CB-CD1 3.69Å; H467-K478 WeakPolarHBondContact NE2-CE 3.39Å
468L97.6Very high93.1Very high0 Ų060.3 Ų60.30%032%0.32CS..EExtended strand (participates in β ladder)trans-86.2120.3172.2-70.282.6000107.7L448 L452 V457 S458 I459 I476 G477 V479 L497L448-L468 HydrophobicContact CB-CD2 4.2Å; L448-L468 HydrophobicContact CD1-CD1 4.44Å; L448-L468 HydrophobicContact CD1-CD2 4.26Å; L452-L468 HydrophobicContact CD1-CD2 3.74Å; V457-L468 HydrophobicContact CG1-CB 3.98Å; V457-L468 HydrophobicContact CG1-CD2 4.23Å; V457-L468 HydrophobicContact CG1-CG 4.44Å; S458-L468 WeakPolarHBondContact O-CA 3.32Å; I459-L468 HydrophobicContact CD1-CG 4.21Å; I459-L468 HydrophobicContact CG1-CG 4.18Å; L468-I476 PolarHBondContact O-N 2.88Å; L468-G477 PolarHBondContact N-O 3.02Å; L468-G477 PolarHBondContact O-N 3.15Å; L468-V479 HydrophobicContact CD1-CG2 4.02Å; L468-L497 HydrophobicContact CD1-CD2 4.17Å; L468-L497 HydrophobicContact CD2-CD2 3.77Å
469V97.5Very high93.1Very high28 Ų2857.6 Ų57.617%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-128.8148-175.8-59.80000110.9V457 S458 V460 H467 G474 L475V457-V469 WeakPolarHBondContact CA-O 3.49Å; S458-V469 PolarHBondContact N-O 3.03Å; S458-V469 PolarHBondContact O-N 3.3Å; S458-V469 VanDerWaalsContact OG-CG2 3.27Å; S458-V469 WeakPolarHBondContact OG-CG2 3.23Å; V460-V469 HydrophobicContact CG2-CG2 3.89Å; H467-V469 HydrophobicContact CB-CG1 4.4Å; V469-G474 CarbonylContact C-O 3.53Å; V469-G474 WeakPolarHBondContact CA-O 3.28Å; V469-L475 HydrophobicContact CG1-CD1 4.25Å
470A97.1Very high92.8Very high1 Ų157.2 Ų57.21%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-138147.816500000110.7G456 M473 G474 I476 L505G456-A470 WeakPolarHBondContact O-CB 3.29Å; A470-M473 CarbonylContact O-C 3.47Å; A470-M473 WeakPolarHBondContact O-CA 3.47Å; A470-M473 PolarHBondContact O-N 3.07Å; A470-G474 PolarHBondContact N-O 2.95Å; A470-G474 PolarHBondContact O-N 2.85Å; A470-I476 HydrophobicContact CB-CD1 3.33Å; A470-L505 HydrophobicContact CB-CD1 3.65Å; A470-L505 HydrophobicContact CB-CD2 4.23Å
471Q94.1Very high92.5Very high159 Ų15955.6 Ų55.674%0.74329%0.292SS*.THydrogen-bonded Turntrans-91.1138.9176.4-66.6-61.1-44.200110.4
472P92.3Very high91.9Very high86 Ų8653.7 Ų53.756%0.55827%0.274SS*.THydrogen-bonded Turncis-90.112.1-132.8-31.4000115W420 G474W420-P472 HydrophobicContact CZ2-CG 3.9Å; P472-G474 PolarHBondContact O-N 2.89Å
473M92.6Very high90.9Very high23 Ų2355.5 Ų55.511%0.11329%0.287CS..THydrogen-bonded Turntrans-72-26.6-170.1-58.7174.3-172.100114.7W420 A470 L501 V504 L505W420-M473 HydrophobicContact CB-CB 4.42Å; W420-M473 HydrophobicContact CD2-CB 4.45Å; W420-M473 HydrophobicContact CD2-CG 3.73Å; W420-M473 HydrophobicContact CE3-CE 4.18Å; W420-M473 HydrophobicContact CE3-CG 3.74Å; W420-M473 HydrophobicContact CE3-SD 4.45Å; W420-M473 HydrophobicContact CG-CB 4.3Å; W420-M473 HydrophobicContact CG-CG 4.1Å; W420-M473 HydrophobicContact CH2-CE 4.04Å; W420-M473 HydrophobicContact CZ3-CE 3.76Å; W420-M473 HydrophobicContact CZ3-CG 4.23Å; A470-M473 CarbonylContact O-C 3.47Å; A470-M473 WeakPolarHBondContact O-CA 3.47Å; A470-M473 PolarHBondContact O-N 3.07Å; M473-L501 HydrophobicContact CG-CD2 4.41Å; M473-L501 HydrophobicContact SD-CB 4.31Å; M473-L501 HydrophobicContact SD-CD2 4.03Å; M473-V504 HydrophobicContact CE-CB 4.07Å; M473-V504 HydrophobicContact CE-CG1 3.41Å; M473-V504 VanDerWaalsContact CE-CG1 3.41Å; M473-L505 HydrophobicContact CE-CD2 3.46Å; M473-L505 VanDerWaalsContact CE-CD2 3.46Å; M473-L505 HydrophobicContact CE-CG 3.8Å; M473-L505 HydrophobicContact SD-CD1 4.14Å; M473-L505 HydrophobicContact SD-CD2 3.84Å; M473-L505 HydrophobicContact SD-CG 3.8Å
474G93.9Very high89.7Confident27 Ų2749.6 Ų49.628%0.27826%0.264SS..EExtended strand (participates in β ladder)trans82.7-135.9-173.600000112V469 A470 P472V469-G474 CarbonylContact C-O 3.53Å; V469-G474 WeakPolarHBondContact CA-O 3.28Å; A470-G474 PolarHBondContact N-O 2.95Å; A470-G474 PolarHBondContact O-N 2.85Å; P472-G474 PolarHBondContact O-N 2.89Å
475L93.8Very high88.2Confident97 Ų9746.3 Ų46.351%0.50827%0.27SS..EExtended strand (participates in β ladder)trans-74.1126.3-175.7-173.272000111.7H467 V469 G477H467-L475 HydrophobicContact CB-CD1 3.69Å; V469-L475 HydrophobicContact CG1-CD1 4.25Å; L475-G477 WeakPolarHBondContact CD1-O 3.45Å
476I95.7Very high86.3Confident5 Ų551.8 Ų51.83%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-109.1-29.7179-64170.5000111.2V457 L468 A470 N498 L501 L502 L505V457-I476 HydrophobicContact CG2-CD1 4.18Å; L468-I476 PolarHBondContact O-N 2.88Å; A470-I476 HydrophobicContact CB-CD1 3.33Å; I476-N498 HydrophobicContact CG2-CB 4.5Å; I476-N498 WeakPolarHBondContact O-CB 3.22Å; I476-N498 PolarHBondContact O-N 2.79Å; I476-L501 HydrophobicContact CG1-CB 4.35Å; I476-L501 HydrophobicContact CG1-CD1 4.34Å; I476-L501 HydrophobicContact CG2-CB 4.44Å; I476-L502 HydrophobicContact CG2-CD1 4.4Å; I476-L502 HydrophobicContact CG2-CD2 3.66Å; I476-L502 HydrophobicContact CG2-CG 3.64Å; I476-L505 HydrophobicContact CD1-CD1 3.48Å; I476-L505 VanDerWaalsContact CD1-CD1 3.48Å
477G95.5Very high84.4Confident5 Ų555.4 Ų55.45%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-171172.9-179.900000113.1L468 L475 S496L468-G477 PolarHBondContact N-O 3.02Å; L468-G477 PolarHBondContact O-N 3.15Å; L475-G477 WeakPolarHBondContact CD1-O 3.45Å; G477-S496 CarbonylContact C-O 3.54Å; G477-S496 WeakPolarHBondContact CA-O 3.35Å
478K95.2Very high82.7Confident48 Ų4859.6 Ų59.621%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-140.6135.7-178.5-176.2175.8-175.9-179.80110D283 S465 L466 H467 F480 A495 S496D283-K478 IonicContact OD2-NZ 2.92Å; D283-K478 PolarHBondContact OD2-NZ 3.04Å; S465-K478 VanDerWaalsContact OG-CE 3.23Å; S465-K478 WeakPolarHBondContact OG-CE 3.45Å; L466-K478 CarbonylContact O-C 3.59Å; L466-K478 VanDerWaalsContact O-CA 3.25Å; L466-K478 WeakPolarHBondContact O-CA 3.41Å; H467-K478 WeakPolarHBondContact NE2-CE 3.39Å; K478-F480 HydrophobicContact CB-CD1 4.29Å; K478-F480 HydrophobicContact CD-CB 4.5Å; K478-F480 HydrophobicContact CD-CD1 4.08Å; K478-F480 HydrophobicContact CG-CB 4.29Å; K478-F480 HydrophobicContact CG-CD1 3.78Å; K478-F480 HydrophobicContact CG-CG 4.42Å; K478-A495 CarbonylContact O-C 3.58Å; K478-A495 WeakPolarHBondContact O-CA 3.04Å; K478-S496 PolarHBondContact N-O 2.8Å; K478-S496 PolarHBondContact O-N 3.19Å
479V95.3Very high81.8Confident0 Ų064.5 Ų64.50%039%0.387CS..EExtended strand (participates in β ladder)trans-107.9127.1164.4-1720000108V441 I444 L448 S465 L466 L468 V493 S494 A495V441-V479 HydrophobicContact CG1-CG1 4.22Å; I444-V479 HydrophobicContact CB-CG1 4.22Å; I444-V479 HydrophobicContact CG2-CG1 4.03Å; I444-V479 HydrophobicContact CG2-CG2 4.2Å; L448-V479 HydrophobicContact CD1-CG2 3.63Å; S465-V479 CarbonylContact C-O 3.51Å; S465-V479 VanDerWaalsContact CA-O 3.23Å; S465-V479 WeakPolarHBondContact CA-O 3.41Å; S465-V479 VanDerWaalsContact CB-O 3.28Å; S465-V479 WeakPolarHBondContact CB-O 3.47Å; L466-V479 HydrophobicContact CB-CB 4.18Å; L466-V479 PolarHBondContact N-O 2.54Å; L466-V479 PolarHBondContact O-N 3.39Å; L468-V479 HydrophobicContact CD1-CG2 4.02Å; V479-V493 HydrophobicContact CG1-CG1 3.75Å; V479-S494 CarbonylContact C-O 3.55Å; V479-S494 VanDerWaalsContact CA-O 3.31Å; V479-S494 WeakPolarHBondContact CA-O 3.36Å; V479-A495 HydrophobicContact CG2-CB 4.03Å
480F91.4Very high81.1Confident26 Ų2667.2 Ų67.211%0.11440%0.398CS..EExtended strand (participates in β ladder)trans-148151.1-173.859.1-81.1000111.5L357 K478 R482 V493 S494L357-F480 HydrophobicContact CD1-CZ 4.33Å; L357-F480 HydrophobicContact CD2-CE2 4.44Å; L357-F480 HydrophobicContact CD2-CZ 3.76Å; K478-F480 HydrophobicContact CB-CD1 4.29Å; K478-F480 HydrophobicContact CD-CB 4.5Å; K478-F480 HydrophobicContact CD-CD1 4.08Å; K478-F480 HydrophobicContact CG-CB 4.29Å; K478-F480 HydrophobicContact CG-CD1 3.78Å; K478-F480 HydrophobicContact CG-CG 4.42Å; F480-R482 HydrophobicContact CD2-CG 4.27Å; F480-R482 HydrophobicContact CE2-CG 4.19Å; F480-V493 WeakPolarHBondContact O-CA 3.42Å; F480-S494 WeakPolarHBondContact CD1-O 3.39Å; F480-S494 PolarHBondContact N-O 2.85Å; F480-S494 PolarHBondContact O-N 2.78Å
481A88.7Confident80.6Confident40 Ų4067.7 Ų67.733%0.33140%0.401SS..EExtended strand (participates in β ladder)trans-97.1142.6175.700000111V441 V491 T492V441-A481 HydrophobicContact CG2-CB 3.83Å; A481-V491 HydrophobicContact CB-CG2 3.73Å; A481-T492 CarbonylContact C-O 3.59Å; A481-T492 WeakPolarHBondContact CA-O 3.36Å
482R78.7Confident80.3Confident63 Ų6361.1 Ų61.124%0.23837%0.372CS..EExtended strand (participates in β ladder)trans-115.3127.6168.5-70.9175.7168.4-174.6-12.5108.3C280 E361 F480 T484 T492C280-R482 PolarHBondContact O-NH2 2.95Å; E361-R482 IonicContact OE1-CZ 3.75Å; E361-R482 IonicContact OE1-NH1 3.65Å; E361-R482 PolarHBondContact OE1-NH1 3.39Å; E361-R482 IonicContact OE1-NH2 2.75Å; E361-R482 PolarHBondContact OE1-NH2 3.47Å; F480-R482 HydrophobicContact CD2-CG 4.27Å; F480-R482 HydrophobicContact CE2-CG 4.19Å; R482-T484 PolarHBondContact O-N 2.57Å; R482-T492 PolarHBondContact N-O 2.84Å; R482-T492 PolarHBondContact O-N 2.83Å
483N64.9Low80.2Confident141 Ų14157 Ų5775%0.75435%0.345SS*.  trans-74.2127.4176.7-73.4-10.9000109.5
484T56.7Low80.2Confident66 Ų6656 Ų5641%0.40534%0.34SS..  trans-72.2135.8163.147.50000108.5R482 D486R482-T484 PolarHBondContact O-N 2.57Å; T484-D486 PolarHBondContact O-N 2.85Å; T484-D486 VanDerWaalsContact O-N 3.07Å
485A49.5Very low80.2Confident107 Ų10754.8 Ų54.888%0.88433%0.328SS*.SBendtrans-65.7-8.3-176.700000114.1
486D51Low80.3Confident125 Ų12551.1 Ų51.167%0.66831%0.31SS*.SBendtrans-104.8135.2-180-70.1-27.4000111.3T484 N488T484-D486 PolarHBondContact O-N 2.85Å; T484-D486 VanDerWaalsContact O-N 3.07Å; D486-N488 PolarHBondContact O-N 3.49Å
487G54.3Low80.4Confident88 Ų8850.9 Ų50.991%0.90731%0.309SS*.  trans-65.742.5-174.800000116.6
488N60.9Low80.5Confident116 Ų11651.5 Ų51.562%0.6231%0.311SS*.  trans-85.4147.3170.3-82-17.4000110.9D486 H490D486-N488 PolarHBondContact O-N 3.49Å; N488-H490 PolarHBondContact O-N 2.88Å
489N78.9Confident80.7Confident103 Ų10349.2 Ų49.255%0.55130%0.301SS*.SBendtrans-67.726.9175.1-85.812.3000114P435 L436 E437P435-N489 WeakPolarHBondContact CA-O 3.47Å; L436-N489 WeakPolarHBondContact CB-O 3.29Å; L436-N489 PolarHBondContact N-O 3.23Å; E437-N489 PolarHBondContact OE1-ND2 3.24Å
490H82.1Confident80.8Confident86 Ų8649.2 Ų49.240%0.39830%0.301SS..EExtended strand (participates in β ladder)trans-120.5152.8-177.7-67.978.8000110.7V433 F434 N488V433-H490 HydrophobicContact CG1-CB 3.84Å; F434-H490 CarbonylContact O-C 3.58Å; F434-H490 VanDerWaalsContact O-CA 3.27Å; F434-H490 WeakPolarHBondContact O-CA 3.33Å; N488-H490 PolarHBondContact O-N 2.88Å
491V87Confident81.2Confident10 Ų1048.2 Ų48.26%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-136.2139.1177.663.10000109.6F434 L436 P440 A481 V493F434-V491 PolarHBondContact N-O 2.82Å; F434-V491 PolarHBondContact O-N 2.8Å; L436-V491 HydrophobicContact CD1-CB 4.15Å; P440-V491 HydrophobicContact CG-CG1 3.39Å; A481-V491 HydrophobicContact CB-CG2 3.73Å; V491-V493 HydrophobicContact CG1-CG2 4.13Å
492T87.8Confident81.6Confident22 Ų2246.3 Ų46.314%0.13528%0.281CS..EExtended strand (participates in β ladder)trans-85.3122.3172.4-58.50000108.3T431 G432 A481 R482T431-T492 HydrophobicContact CG2-CG2 3.47Å; T431-T492 VanDerWaalsContact CG2-CG2 3.47Å; G432-T492 WeakPolarHBondContact O-CA 3.26Å; A481-T492 CarbonylContact C-O 3.59Å; A481-T492 WeakPolarHBondContact CA-O 3.36Å; R482-T492 PolarHBondContact N-O 2.84Å; R482-T492 PolarHBondContact O-N 2.83Å
493V90.9Very high82.6Confident0 Ų043.3 Ų43.30%027%0.27CS..EExtended strand (participates in β ladder)trans-112.3135.2176-176.50000109.2T431 G432 F434 P440 V441 I444 V479 F480 V491T431-V493 VanDerWaalsContact CA-O 3.25Å; T431-V493 WeakPolarHBondContact CA-O 3.22Å; G432-V493 PolarHBondContact N-O 2.9Å; G432-V493 PolarHBondContact O-N 3.35Å; F434-V493 HydrophobicContact CD2-CB 4.06Å; F434-V493 HydrophobicContact CD2-CG2 4.1Å; F434-V493 HydrophobicContact CE2-CB 4.24Å; P440-V493 HydrophobicContact CB-CG2 3.82Å; P440-V493 HydrophobicContact CG-CG2 3.68Å; V441-V493 HydrophobicContact CG2-CG1 3.95Å; V441-V493 HydrophobicContact CG2-CG2 4.02Å; I444-V493 HydrophobicContact CD1-CB 4.18Å; I444-V493 HydrophobicContact CD1-CG1 3.74Å; V479-V493 HydrophobicContact CG1-CG1 3.75Å; F480-V493 WeakPolarHBondContact O-CA 3.42Å; V491-V493 HydrophobicContact CG1-CG2 4.13Å
494S91.8Very high84.1Confident0 Ų036.7 Ų36.70%023%0.234CC..EExtended strand (participates in β ladder)trans-122.8139.7178.2-59.20000110.7L430 T431 V479 F480L430-S494 CarbonylContact O-C 3.59Å; L430-S494 VanDerWaalsContact O-CA 3.25Å; L430-S494 WeakPolarHBondContact O-CA 3.27Å; T431-S494 WeakPolarHBondContact OG1-CB 3.47Å; T431-S494 PolarHBondContact OG1-OG 2.87Å; V479-S494 CarbonylContact C-O 3.55Å; V479-S494 VanDerWaalsContact CA-O 3.31Å; V479-S494 WeakPolarHBondContact CA-O 3.36Å; F480-S494 WeakPolarHBondContact CD1-O 3.39Å; F480-S494 PolarHBondContact N-O 2.85Å; F480-S494 PolarHBondContact O-N 2.78Å
495A95.1Very high86.1Confident3 Ų334.9 Ų34.93%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-119.1114.6170.800000109.2L429 L430 I444 L448 K478 V479L429-A495 CarbonylContact C-O 3.57Å; L429-A495 WeakPolarHBondContact CA-O 3.48Å; L430-A495 PolarHBondContact N-O 3.44Å; L430-A495 PolarHBondContact O-N 2.97Å; I444-A495 HydrophobicContact CG2-CB 4.35Å; L448-A495 HydrophobicContact CD1-CB 4.43Å; K478-A495 CarbonylContact O-C 3.58Å; K478-A495 WeakPolarHBondContact O-CA 3.04Å; V479-A495 HydrophobicContact CG2-CB 4.03Å
496S95.5Very high88.4Confident19 Ų1929.8 Ų29.813%0.13318%0.18CC..EExtended strand (participates in β ladder)trans-104.1124173.5157.80000108.8E427 I428 G477 K478E427-S496 PolarHBondContact OE1-OG 2.84Å; I428-S496 WeakPolarHBondContact O-CA 3.47Å; G477-S496 CarbonylContact C-O 3.54Å; G477-S496 WeakPolarHBondContact CA-O 3.35Å; K478-S496 PolarHBondContact N-O 2.8Å; K478-S496 PolarHBondContact O-N 3.19Å
497L97.8Very high90.7Very high1 Ų123.9 Ų23.91%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-132.1137.7-176.8-51.6173.2000111.1L251 E427 I428 L448 L468 L499 L502L251-L497 HydrophobicContact CD1-CD1 3.91Å; L251-L497 HydrophobicContact CD2-CD1 4.38Å; E427-L497 WeakPolarHBondContact CA-O 3.02Å; I428-L497 HydrophobicContact CG2-CB 3.73Å; I428-L497 HydrophobicContact CG2-CD1 4.22Å; I428-L497 HydrophobicContact CG2-CG 4.33Å; I428-L497 PolarHBondContact N-O 2.95Å; I428-L497 PolarHBondContact O-N 3.35Å; L448-L497 HydrophobicContact CD1-CD2 4.39Å; L448-L497 HydrophobicContact CD2-CD1 4.03Å; L468-L497 HydrophobicContact CD1-CD2 4.17Å; L468-L497 HydrophobicContact CD2-CD2 3.77Å; L497-L499 PolarHBondContact O-N 2.79Å; L497-L502 HydrophobicContact CB-CD1 4.19Å
498N97.9Very high92.7Very high17 Ų1722.9 Ų22.99%0.09113%0.127CC..EExtended strand (participates in β ladder)trans-83.2103.1172.1-175.6-30.9000110.2F425 I476 D500 L501 L502F425-N498 HydrophobicContact CD2-CB 4.05Å; F425-N498 VanDerWaalsContact CD2-ND2 3.32Å; F425-N498 WeakPolarHBondContact CD2-ND2 3.31Å; F425-N498 HydrophobicContact CE2-CB 4.14Å; I476-N498 HydrophobicContact CG2-CB 4.5Å; I476-N498 WeakPolarHBondContact O-CB 3.22Å; I476-N498 PolarHBondContact O-N 2.79Å; N498-D500 VanDerWaalsContact C-N 3.32Å; N498-D500 PolarHBondContact O-N 3.48Å; N498-D500 WeakPolarHBondContact OD1-CB 3.35Å; N498-D500 PolarHBondContact OD1-N 3.17Å; N498-D500 VanDerWaalsContact OD1-N 3.09Å; N498-L501 HydrophobicContact CB-CB 4.41Å; N498-L501 HydrophobicContact CB-CD1 4.5Å; N498-L501 PolarHBondContact OD1-N 2.78Å; N498-L502 WeakPolarHBondContact O-CG 3.19Å; N498-L502 PolarHBondContact O-N 2.76Å
499L98.4Very high94.4Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-68.1-30.1-178-66.8176.7000112.9L236 V244 V247 Q248 L251 H426 I428 L497 A503L236-L499 HydrophobicContact CD1-CD1 4.39Å; L236-L499 HydrophobicContact CD2-CD1 4.04Å; V244-L499 HydrophobicContact CG1-CB 3.66Å; V244-L499 HydrophobicContact CG1-CD1 4.13Å; V247-L499 HydrophobicContact CG1-CD2 4Å; Q248-L499 HydrophobicContact CB-CD1 4.02Å; Q248-L499 HydrophobicContact CB-CD2 4.23Å; L251-L499 HydrophobicContact CD1-CD2 3.74Å; H426-L499 HydrophobicContact CB-CB 4.13Å; H426-L499 HydrophobicContact CB-CD1 4.22Å; H426-L499 WeakPolarHBondContact O-CB 3.41Å; H426-L499 PolarHBondContact O-N 3.39Å; I428-L499 HydrophobicContact CB-CD1 4.05Å; I428-L499 HydrophobicContact CB-CD2 4.18Å; I428-L499 HydrophobicContact CB-CG 4.09Å; I428-L499 HydrophobicContact CG2-CD1 4.32Å; I428-L499 HydrophobicContact CG2-CD2 3.56Å; I428-L499 HydrophobicContact CG2-CG 3.83Å; L497-L499 PolarHBondContact O-N 2.79Å; L499-A503 VanDerWaalsContact O-CB 3.31Å; L499-A503 WeakPolarHBondContact O-CB 3.39Å; L499-A503 PolarHBondContact O-N 3.21Å
500D98.4Very high95Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-66.6-51.1178.7-73.9-132.2000110.6L422 F425 H426 N498 L502 A503 V504 L515 W516L422-D500 HydrophobicContact CD2-CB 3.68Å; F425-D500 HydrophobicContact CB-CB 4.1Å; H426-D500 VanDerWaalsContact CB-OD2 3.3Å; H426-D500 WeakPolarHBondContact CB-OD2 3.5Å; H426-D500 IonicContact CG-OD2 3.12Å; H426-D500 PolarHBondContact N-OD2 2.92Å; H426-D500 IonicContact ND1-OD1 3.69Å; H426-D500 IonicContact ND1-OD2 2.92Å; H426-D500 PolarHBondContact ND1-OD2 3.01Å; N498-D500 VanDerWaalsContact C-N 3.32Å; N498-D500 PolarHBondContact O-N 3.48Å; N498-D500 WeakPolarHBondContact OD1-CB 3.35Å; N498-D500 PolarHBondContact OD1-N 3.17Å; N498-D500 VanDerWaalsContact OD1-N 3.09Å; D500-L502 VanDerWaalsContact C-N 3.31Å; D500-L502 PolarHBondContact O-N 2.85Å; D500-A503 WeakPolarHBondContact O-CB 3.44Å; D500-A503 PolarHBondContact O-N 3.38Å; D500-A503 VanDerWaalsContact O-N 3.11Å; D500-V504 WeakPolarHBondContact O-CG2 3.4Å; D500-V504 PolarHBondContact O-N 2.9Å; D500-L515 HydrophobicContact CB-CD1 3.72Å; D500-L515 WeakPolarHBondContact O-CD1 3.44Å; D500-W516 WeakPolarHBondContact OD1-CZ2 3.44Å; D500-W516 PolarHBondContact OD1-NE1 3.3Å
501L98Very high95.6Very high5 Ų511.6 Ų11.63%0.0267%0.074CC..Hα-helixtrans-64.1-37.1177.5-70.4-179.4000112.1W420 L422 M473 I476 N498 V504 L505W420-L501 HydrophobicContact CE3-CD2 4.39Å; L422-L501 HydrophobicContact CD1-CD2 3.69Å; L422-L501 HydrophobicContact CD1-CG 4.24Å; M473-L501 HydrophobicContact CG-CD2 4.41Å; M473-L501 HydrophobicContact SD-CB 4.31Å; M473-L501 HydrophobicContact SD-CD2 4.03Å; I476-L501 HydrophobicContact CG1-CB 4.35Å; I476-L501 HydrophobicContact CG1-CD1 4.34Å; I476-L501 HydrophobicContact CG2-CB 4.44Å; N498-L501 HydrophobicContact CB-CB 4.41Å; N498-L501 HydrophobicContact CB-CD1 4.5Å; N498-L501 PolarHBondContact OD1-N 2.78Å; L501-V504 WeakPolarHBondContact O-CB 3.45Å; L501-V504 PolarHBondContact O-N 3.25Å; L501-L505 PolarHBondContact O-N 3.35Å; L501-L505 VanDerWaalsContact O-N 3.11Å
502L98.5Very high96Very high0 Ų011.4 Ų11.40%07%0.072CC..Hα-helixtrans-62.7-42.1171.8-71.6174.7000111.6V247 L251 L452 V457 I476 L497 N498 D500 V504 L505 L506V247-L502 HydrophobicContact CG1-CB 3.69Å; V247-L502 HydrophobicContact CG1-CD1 4.27Å; L251-L502 HydrophobicContact CD1-CD1 3.95Å; L452-L502 HydrophobicContact CD1-CD2 4.01Å; L452-L502 HydrophobicContact CD2-CD2 4.01Å; V457-L502 HydrophobicContact CG2-CD2 4.05Å; I476-L502 HydrophobicContact CG2-CD1 4.4Å; I476-L502 HydrophobicContact CG2-CD2 3.66Å; I476-L502 HydrophobicContact CG2-CG 3.64Å; L497-L502 HydrophobicContact CB-CD1 4.19Å; N498-L502 WeakPolarHBondContact O-CG 3.19Å; N498-L502 PolarHBondContact O-N 2.76Å; D500-L502 VanDerWaalsContact C-N 3.31Å; D500-L502 PolarHBondContact O-N 2.85Å; L502-V504 VanDerWaalsContact C-N 3.29Å; L502-V504 PolarHBondContact O-N 2.92Å; L502-L505 PolarHBondContact O-N 3.28Å; L502-L505 VanDerWaalsContact O-N 3.16Å; L502-L506 WeakPolarHBondContact O-CB 3.43Å; L502-L506 VanDerWaalsContact O-CD1 3.25Å; L502-L506 WeakPolarHBondContact O-CD1 3.38Å; L502-L506 PolarHBondContact O-N 3Å
503A98.4Very high96.3Very high0 Ų012.1 Ų12.10%07%0.072CC..Hα-helixtrans-62-36.9175.300000112.4P243 V244 V247 L499 D500 L505 F507 L515P243-A503 HydrophobicContact CB-CB 4.31Å; V244-A503 HydrophobicContact CG2-CB 4.14Å; V247-A503 HydrophobicContact CG2-CB 3.86Å; L499-A503 VanDerWaalsContact O-CB 3.31Å; L499-A503 WeakPolarHBondContact O-CB 3.39Å; L499-A503 PolarHBondContact O-N 3.21Å; D500-A503 WeakPolarHBondContact O-CB 3.44Å; D500-A503 PolarHBondContact O-N 3.38Å; D500-A503 VanDerWaalsContact O-N 3.11Å; A503-L505 VanDerWaalsContact C-N 3.35Å; A503-F507 WeakPolarHBondContact O-CD2 3.03Å; A503-F507 PolarHBondContact O-N 3.21Å; A503-F507 VanDerWaalsContact O-N 3.13Å; A503-L515 HydrophobicContact CB-CD1 4.4Å; A503-L515 HydrophobicContact CB-CD2 3.97Å
504V98Very high96.5Very high2 Ų212.2 Ų12.21%0.0127%0.072CC..Hα-helixtrans-59.5-46.3172.81760000111.1W420 M473 D500 L501 L502 S508 L509 W512 L515W420-V504 HydrophobicContact CZ3-CG1 4.07Å; M473-V504 HydrophobicContact CE-CB 4.07Å; M473-V504 HydrophobicContact CE-CG1 3.41Å; M473-V504 VanDerWaalsContact CE-CG1 3.41Å; D500-V504 WeakPolarHBondContact O-CG2 3.4Å; D500-V504 PolarHBondContact O-N 2.9Å; L501-V504 WeakPolarHBondContact O-CB 3.45Å; L501-V504 PolarHBondContact O-N 3.25Å; L502-V504 VanDerWaalsContact C-N 3.29Å; L502-V504 PolarHBondContact O-N 2.92Å; V504-S508 CarbonylContact O-C 3.54Å; V504-S508 VanDerWaalsContact O-CA 3.31Å; V504-S508 WeakPolarHBondContact O-CA 3.5Å; V504-S508 PolarHBondContact O-N 3.42Å; V504-L509 HydrophobicContact CB-CB 4.35Å; V504-L509 HydrophobicContact CG1-CB 4.1Å; V504-L509 VanDerWaalsContact CG1-O 3.3Å; V504-L509 WeakPolarHBondContact CG1-O 3.35Å; V504-L509 HydrophobicContact CG2-CB 4.33Å; V504-L509 HydrophobicContact CG2-CD1 4.29Å; V504-L509 PolarHBondContact O-N 2.96Å; V504-W512 HydrophobicContact CG2-CB 3.75Å; V504-L515 HydrophobicContact CG2-CD1 4.04Å
505L97.9Very high96.7Very high29 Ų2912.2 Ų12.215%0.1527%0.072CC..Hα-helixtrans-68.5-53.6179.3-67.5171.2000112.4V457 A470 M473 I476 L501 L502 A503 F507 S508V457-L505 HydrophobicContact CG2-CD1 3.65Å; A470-L505 HydrophobicContact CB-CD1 3.65Å; A470-L505 HydrophobicContact CB-CD2 4.23Å; M473-L505 HydrophobicContact CE-CD2 3.46Å; M473-L505 VanDerWaalsContact CE-CD2 3.46Å; M473-L505 HydrophobicContact CE-CG 3.8Å; M473-L505 HydrophobicContact SD-CD1 4.14Å; M473-L505 HydrophobicContact SD-CD2 3.84Å; M473-L505 HydrophobicContact SD-CG 3.8Å; I476-L505 HydrophobicContact CD1-CD1 3.48Å; I476-L505 VanDerWaalsContact CD1-CD1 3.48Å; L501-L505 PolarHBondContact O-N 3.35Å; L501-L505 VanDerWaalsContact O-N 3.11Å; L502-L505 PolarHBondContact O-N 3.28Å; L502-L505 VanDerWaalsContact O-N 3.16Å; A503-L505 VanDerWaalsContact C-N 3.35Å; L505-F507 PolarHBondContact O-N 3.34Å; L505-S508 PolarHBondContact O-N 3.46Å; L505-S508 VanDerWaalsContact O-N 3.13Å
506L98.3Very high96.7Very high0 Ų012.5 Ų12.50%07%0.073CC..Hα-helixtrans-64.5-27.5-172.5-88.561.5000112.6V247 F250 L452 Y455 L502 P532 G533V247-L506 HydrophobicContact CB-CD2 4.38Å; V247-L506 HydrophobicContact CG1-CD2 4.11Å; V247-L506 HydrophobicContact CG2-CB 4.21Å; V247-L506 HydrophobicContact CG2-CD2 3.71Å; F250-L506 HydrophobicContact CD1-CD2 3.92Å; F250-L506 HydrophobicContact CE1-CD2 4.17Å; L452-L506 HydrophobicContact CD2-CD1 4.2Å; Y455-L506 HydrophobicContact CD1-CD1 4.42Å; Y455-L506 HydrophobicContact CD1-CG 4.17Å; Y455-L506 HydrophobicContact CD2-CD1 3.72Å; Y455-L506 HydrophobicContact CD2-CG 3.83Å; Y455-L506 HydrophobicContact CE1-CG 4.44Å; Y455-L506 HydrophobicContact CE2-CD1 4.45Å; Y455-L506 HydrophobicContact CE2-CG 4.11Å; Y455-L506 HydrophobicContact CG-CD1 3.69Å; Y455-L506 HydrophobicContact CG-CG 3.86Å; L502-L506 WeakPolarHBondContact O-CB 3.43Å; L502-L506 VanDerWaalsContact O-CD1 3.25Å; L502-L506 WeakPolarHBondContact O-CD1 3.38Å; L502-L506 PolarHBondContact O-N 3Å; L506-P532 HydrophobicContact CB-CB 4.16Å; L506-P532 HydrophobicContact CD2-CB 3.82Å; L506-P532 HydrophobicContact CD2-CG 4Å; L506-P532 HydrophobicContact CG-CB 3.99Å; L506-G533 WeakPolarHBondContact O-CA 3.49Å; L506-G533 PolarHBondContact O-N 3.25Å
507F98.2Very high96.5Very high0 Ų012 Ų120%07%0.069CC..THydrogen-bonded Turntrans-111.39.7176.9-61.4-71.2000113.6P243 L246 V247 A503 L505 L509 F526 P530 T534 F536P243-F507 HydrophobicContact CB-CD2 3.57Å; P243-F507 HydrophobicContact CB-CE2 3.63Å; P243-F507 HydrophobicContact CB-CG 4.44Å; L246-F507 HydrophobicContact CB-CE2 4.25Å; L246-F507 HydrophobicContact CB-CZ 3.93Å; L246-F507 HydrophobicContact CD1-CZ 3.96Å; V247-F507 HydrophobicContact CG2-CD2 4.44Å; V247-F507 HydrophobicContact CG2-CE2 3.9Å; A503-F507 WeakPolarHBondContact O-CD2 3.03Å; A503-F507 PolarHBondContact O-N 3.21Å; A503-F507 VanDerWaalsContact O-N 3.13Å; L505-F507 PolarHBondContact O-N 3.34Å; F507-L509 VanDerWaalsContact C-N 3.29Å; F507-L509 HydrophobicContact CB-CG 4.46Å; F507-L509 PolarHBondContact O-N 2.74Å; F507-F526 HydrophobicContact CB-CE1 4.21Å; F507-F526 HydrophobicContact CB-CZ 4.39Å; F507-F526 HydrophobicContact CD1-CD1 4.48Å; F507-F526 AromaticContact CD1-CE1 3.69Å; F507-F526 HydrophobicContact CD1-CE1 3.69Å; F507-F526 HydrophobicContact CD2-CE1 4.1Å; F507-F526 HydrophobicContact CE1-CD1 4.39Å; F507-F526 HydrophobicContact CE1-CE1 4.02Å; F507-F526 HydrophobicContact CE2-CE1 4.4Å; F507-F526 AromaticContact CG-CE1 3.73Å; F507-F526 HydrophobicContact CG-CE1 3.73Å; F507-F526 HydrophobicContact CG-CZ 4.36Å; F507-F526 HydrophobicContact CZ-CE1 4.36Å; F507-P530 HydrophobicContact CE1-CG 4.35Å; F507-T534 WeakPolarHBondContact CD1-O 3.29Å; F507-F536 WeakPolarHBondContact O-CB 3.43Å; F507-F536 PolarHBondContact O-N 2.66Å
508S96.9Very high96.2Very high67 Ų6716.6 Ų16.647%0.4699%0.091SC..THydrogen-bonded Turntrans52.543.7178.7-48.60000113.4V504 L505V504-S508 CarbonylContact O-C 3.54Å; V504-S508 VanDerWaalsContact O-CA 3.31Å; V504-S508 WeakPolarHBondContact O-CA 3.5Å; V504-S508 PolarHBondContact O-N 3.42Å; L505-S508 PolarHBondContact O-N 3.46Å; L505-S508 VanDerWaalsContact O-N 3.13Å
509L96Very high95.8Very high8 Ų815.9 Ų15.94%0.0429%0.087CC..  trans-70136.3176.2-61.1172.9000109.6V504 F507 D511 L515 F522 F536V504-L509 HydrophobicContact CB-CB 4.35Å; V504-L509 HydrophobicContact CG1-CB 4.1Å; V504-L509 VanDerWaalsContact CG1-O 3.3Å; V504-L509 WeakPolarHBondContact CG1-O 3.35Å; V504-L509 HydrophobicContact CG2-CB 4.33Å; V504-L509 HydrophobicContact CG2-CD1 4.29Å; V504-L509 PolarHBondContact O-N 2.96Å; F507-L509 VanDerWaalsContact C-N 3.29Å; F507-L509 HydrophobicContact CB-CG 4.46Å; F507-L509 PolarHBondContact O-N 2.74Å; L509-D511 PolarHBondContact O-N 3.05Å; L509-L515 HydrophobicContact CD1-CD2 3.37Å; L509-L515 HydrophobicContact CD1-CG 3.8Å; L509-F522 HydrophobicContact CD1-CZ 4.41Å; L509-F522 HydrophobicContact CD2-CE2 3.84Å; L509-F522 HydrophobicContact CD2-CZ 4.45Å; L509-F536 HydrophobicContact CD2-CB 3.49Å; L509-F536 VanDerWaalsContact CD2-CB 3.49Å; L509-F536 HydrophobicContact CD2-CD1 3.82Å; L509-F536 HydrophobicContact CD2-CD2 3.83Å; L509-F536 HydrophobicContact CD2-CE1 4.5Å; L509-F536 HydrophobicContact CD2-CG 3.43Å; L509-F536 VanDerWaalsContact CD2-CG 3.43Å
510P93Very high95.5Very high60 Ų6020.5 Ų20.539%0.3912%0.117SC..SBendtrans-71.2-23.1177.928.8-35.5000112.8L514P510-L514 HydrophobicContact CG-CD1 3.55Å
511D93.6Very high95.3Very high1 Ų123.5 Ų23.51%0.00513%0.128CC..  trans-154.9138.6-174.9-169.8-64.9000110.3L509 R513 L514 H603L509-D511 PolarHBondContact O-N 3.05Å; D511-R513 VanDerWaalsContact C-N 3.29Å; D511-R513 PolarHBondContact O-N 3.48Å; D511-R513 WeakPolarHBondContact OD1-CA 3.42Å; D511-R513 WeakPolarHBondContact OD1-CB 3.48Å; D511-R513 WeakPolarHBondContact OD1-CG 3.37Å; D511-R513 IonicContact OD1-CZ 3.16Å; D511-R513 PolarHBondContact OD1-N 3.43Å; D511-R513 IonicContact OD1-NE 3.83Å; D511-R513 PolarHBondContact OD1-NE 3.03Å; D511-R513 IonicContact OD1-NH2 2.63Å; D511-R513 IonicContact OD2-CZ 3.74Å; D511-R513 VanDerWaalsContact OD2-CZ 3.28Å; D511-R513 IonicContact OD2-NE 3.76Å; D511-R513 PolarHBondContact OD2-NE 2.84Å; D511-R513 IonicContact OD2-NH2 3.68Å; D511-R513 PolarHBondContact OD2-NH2 2.75Å; D511-L514 WeakPolarHBondContact O-CB 3.45Å; D511-L514 PolarHBondContact O-N 2.73Å; D511-H603 WeakPolarHBondContact CB-CD2 3.49Å; D511-H603 IonicContact OD2-CD2 3.81Å
512W94.9Very high95.1Very high5 Ų523.2 Ų23.22%0.01913%0.127CC..G310 helixtrans-67.5-26.1-179.167.1-93.5000113.2Y230 L419 L422 P423 V504 L514 L515 W516Y230-W512 HydrophobicContact CE1-CH2 4.3Å; Y230-W512 AromaticContact CE1-CZ3 3.91Å; Y230-W512 HydrophobicContact CE1-CZ3 3.91Å; L419-W512 PolarHBondContact O-NE1 2.94Å; L422-W512 HydrophobicContact CD1-CB 4.4Å; L422-W512 HydrophobicContact CD1-CD2 4.02Å; L422-W512 HydrophobicContact CD1-CG 3.84Å; L422-W512 HydrophobicContact CD2-CB 4.28Å; L422-W512 HydrophobicContact CD2-CD2 4.04Å; L422-W512 HydrophobicContact CD2-CE3 3.93Å; L422-W512 HydrophobicContact CD2-CG 4.18Å; L422-W512 HydrophobicContact CG-CB 4.49Å; L422-W512 HydrophobicContact CG-CD2 3.59Å; L422-W512 HydrophobicContact CG-CE3 3.78Å; L422-W512 HydrophobicContact CG-CG 3.9Å; L422-W512 HydrophobicContact CG-CZ2 4.43Å; L422-W512 HydrophobicContact CG-CZ3 4.27Å; P423-W512 HydrophobicContact CG-CH2 4.44Å; V504-W512 HydrophobicContact CG2-CB 3.75Å; W512-L514 PolarHBondContact O-N 2.93Å; W512-L514 VanDerWaalsContact O-N 3.12Å; W512-L515 WeakPolarHBondContact O-CB 3.39Å; W512-L515 WeakPolarHBondContact O-CG 3.49Å; W512-L515 PolarHBondContact O-N 3.08Å; W512-W516 AromaticContact CE3-CD1 3.64Å; W512-W516 AromaticContact CE3-NE1 3.96Å; W512-W516 AromaticContact CZ3-CD1 3.66Å; W512-W516 HydrophobicContact CZ3-CG 4.48Å
513R93.9Very high94.9Very high37 Ų3726.2 Ų26.214%0.1414%0.142CC..G310 helixtrans-62.5-19.8178.6-63173-73.2172.5-0.1112.2D511 L515 W516 S517 G573 T574 E576 H601D511-R513 VanDerWaalsContact C-N 3.29Å; D511-R513 PolarHBondContact O-N 3.48Å; D511-R513 WeakPolarHBondContact OD1-CA 3.42Å; D511-R513 WeakPolarHBondContact OD1-CB 3.48Å; D511-R513 WeakPolarHBondContact OD1-CG 3.37Å; D511-R513 IonicContact OD1-CZ 3.16Å; D511-R513 PolarHBondContact OD1-N 3.43Å; D511-R513 IonicContact OD1-NE 3.83Å; D511-R513 PolarHBondContact OD1-NE 3.03Å; D511-R513 IonicContact OD1-NH2 2.63Å; D511-R513 IonicContact OD2-CZ 3.74Å; D511-R513 VanDerWaalsContact OD2-CZ 3.28Å; D511-R513 IonicContact OD2-NE 3.76Å; D511-R513 PolarHBondContact OD2-NE 2.84Å; D511-R513 IonicContact OD2-NH2 3.68Å; D511-R513 PolarHBondContact OD2-NH2 2.75Å; R513-L515 VanDerWaalsContact C-N 3.28Å; R513-L515 PolarHBondContact O-N 3.11Å; R513-W516 PolarHBondContact O-N 2.75Å; R513-S517 PolarHBondContact O-N 2.85Å; R513-G573 PolarHBondContact NH1-O 3.42Å; R513-T574 PolarHBondContact NH1-O 3.07Å; R513-E576 IonicContact NH2-OE1 2.98Å; R513-E576 PolarHBondContact NH2-OE1 3.39Å; R513-H601 PolarHBondContact NH1-O 3.01Å
514L95Very high94.8Very high2 Ų233.8 Ų33.81%0.0118%0.175CC..G310 helixtrans-61.2-36.3170.8-80.6160.9000112.3P510 D511 W512 W516 S517 F522 F536 F539 H603 T604P510-L514 HydrophobicContact CG-CD1 3.55Å; D511-L514 WeakPolarHBondContact O-CB 3.45Å; D511-L514 PolarHBondContact O-N 2.73Å; W512-L514 PolarHBondContact O-N 2.93Å; W512-L514 VanDerWaalsContact O-N 3.12Å; L514-W516 PolarHBondContact O-N 3Å; L514-S517 WeakPolarHBondContact O-CB 3.31Å; L514-S517 PolarHBondContact O-N 3.4Å; L514-F522 HydrophobicContact CB-CD2 4.29Å; L514-F522 HydrophobicContact CB-CE2 3.95Å; L514-F522 HydrophobicContact CD2-CD2 4.37Å; L514-F522 WeakPolarHBondContact O-CE1 3.36Å; L514-F536 HydrophobicContact CD1-CD1 4.46Å; L514-F536 HydrophobicContact CD1-CE1 3.84Å; L514-F536 HydrophobicContact CD1-CZ 4.28Å; L514-F536 HydrophobicContact CD2-CE1 4.42Å; L514-F536 HydrophobicContact CD2-CZ 4.09Å; L514-F539 HydrophobicContact CD2-CE1 4.18Å; L514-F539 HydrophobicContact CD2-CZ 4.24Å; L514-H603 HydrophobicContact CD1-CB 4.14Å; L514-H603 HydrophobicContact CD2-CB 3.98Å; L514-H603 HydrophobicContact CG-CB 4Å; L514-T604 HydrophobicContact CD2-CG2 3.49Å; L514-T604 VanDerWaalsContact CD2-CG2 3.49Å; L514-T604 HydrophobicContact CG-CG2 4.31Å
515L96.5Very high94.7Very high0 Ų036.5 Ų36.50%019%0.188CC..THydrogen-bonded Turntrans-57.1-36.5175.7-62.6171.3000110.9F235 H242 P243 V244 D500 A503 V504 L509 W512 R513 S517 F522F235-L515 WeakPolarHBondContact CZ-O 3.33Å; H242-L515 PolarHBondContact NE2-O 3.42Å; P243-L515 HydrophobicContact CB-CD2 4.36Å; P243-L515 HydrophobicContact CG-CD2 3.63Å; V244-L515 HydrophobicContact CG2-CD1 4.29Å; V244-L515 HydrophobicContact CG2-CD2 4.17Å; D500-L515 HydrophobicContact CB-CD1 3.72Å; D500-L515 WeakPolarHBondContact O-CD1 3.44Å; A503-L515 HydrophobicContact CB-CD1 4.4Å; A503-L515 HydrophobicContact CB-CD2 3.97Å; V504-L515 HydrophobicContact CG2-CD1 4.04Å; L509-L515 HydrophobicContact CD1-CD2 3.37Å; L509-L515 HydrophobicContact CD1-CG 3.8Å; W512-L515 WeakPolarHBondContact O-CB 3.39Å; W512-L515 WeakPolarHBondContact O-CG 3.49Å; W512-L515 PolarHBondContact O-N 3.08Å; R513-L515 VanDerWaalsContact C-N 3.28Å; R513-L515 PolarHBondContact O-N 3.11Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 3.13Å; L515-F522 HydrophobicContact CD2-CZ 4.18Å
516W94.6Very high94.7Very high9 Ų935.4 Ų35.43%0.03418%0.182CC..THydrogen-bonded Turntrans-89.65.6-177.5-61.489.6000113.3Y230 R233 F235 V410 H426 D500 W512 R513 L514Y230-W516 AromaticContact CD1-CD2 3.41Å; Y230-W516 HydrophobicContact CD1-CD2 3.41Å; Y230-W516 VanDerWaalsContact CD1-CD2 3.41Å; Y230-W516 AromaticContact CD1-CE2 3.69Å; Y230-W516 AromaticContact CD1-CE3 3.47Å; Y230-W516 HydrophobicContact CD1-CE3 3.47Å; Y230-W516 VanDerWaalsContact CD1-CE3 3.47Å; Y230-W516 AromaticContact CD1-CG 3.93Å; Y230-W516 HydrophobicContact CD1-CG 3.93Å; Y230-W516 HydrophobicContact CD1-CH2 4Å; Y230-W516 AromaticContact CD1-CZ2 3.99Å; Y230-W516 HydrophobicContact CD1-CZ2 3.99Å; Y230-W516 AromaticContact CD1-CZ3 3.77Å; Y230-W516 HydrophobicContact CD1-CZ3 3.77Å; Y230-W516 HydrophobicContact CE1-CB 4.2Å; Y230-W516 AromaticContact CE1-CD2 3.74Å; Y230-W516 HydrophobicContact CE1-CD2 3.74Å; Y230-W516 HydrophobicContact CE1-CE3 4.18Å; Y230-W516 AromaticContact CE1-CG 3.72Å; Y230-W516 HydrophobicContact CE1-CG 3.72Å; Y230-W516 HydrophobicContact CG-CE3 4.28Å; Y230-W516 HydrophobicContact CG-CZ3 4.32Å; Y230-W516 WeakPolarHBondContact O-CZ3 3.31Å; R233-W516 HydrophobicContact CB-CZ3 4.36Å; R233-W516 HydrophobicContact CG-CE3 4.14Å; R233-W516 HydrophobicContact CG-CZ3 3.88Å; R233-W516 PolarHBondContact NH1-O 3.37Å; R233-W516 PolarHBondContact NH2-O 3.38Å; F235-W516 AromaticContact CE2-CD2 3.89Å; F235-W516 HydrophobicContact CE2-CD2 3.89Å; F235-W516 AromaticContact CE2-CE3 3.86Å; F235-W516 HydrophobicContact CE2-CE3 3.86Å; F235-W516 HydrophobicContact CE2-CH2 4.23Å; F235-W516 HydrophobicContact CE2-CZ2 4.21Å; F235-W516 HydrophobicContact CE2-CZ3 4.03Å; F235-W516 HydrophobicContact CZ-CD2 4.03Å; F235-W516 AromaticContact CZ-CE3 3.72Å; F235-W516 HydrophobicContact CZ-CE3 3.72Å; F235-W516 HydrophobicContact CZ-CZ3 4.1Å; V410-W516 HydrophobicContact CG2-CH2 4.14Å; H426-W516 AromaticContact CE1-CH2 3.38Å; H426-W516 WeakPolarHBondContact CE1-CH2 3.33Å; H426-W516 AromaticContact CE1-CZ2 3.63Å; H426-W516 AromaticContact ND1-CZ2 3.87Å; D500-W516 WeakPolarHBondContact OD1-CZ2 3.44Å; D500-W516 PolarHBondContact OD1-NE1 3.3Å; W512-W516 AromaticContact CE3-CD1 3.64Å; W512-W516 AromaticContact CE3-NE1 3.96Å; W512-W516 AromaticContact CZ3-CD1 3.66Å; W512-W516 HydrophobicContact CZ3-CG 4.48Å; R513-W516 PolarHBondContact O-N 2.75Å; L514-W516 PolarHBondContact O-N 3Å
517S92.1Very high94.6Very high9 Ų938.3 Ų38.36%0.06320%0.202CC..  trans-66.5138.9179.3-166.60000112.9R233 R513 L514 L515 D519 T604R233-S517 PolarHBondContact NH2-O 3.14Å; R513-S517 PolarHBondContact O-N 2.85Å; L514-S517 WeakPolarHBondContact O-CB 3.31Å; L514-S517 PolarHBondContact O-N 3.4Å; L515-S517 VanDerWaalsContact C-N 3.31Å; L515-S517 PolarHBondContact O-N 3.13Å; S517-D519 VanDerWaalsContact C-N 3.26Å; S517-D519 VanDerWaalsContact OG-CB 3.28Å; S517-D519 WeakPolarHBondContact OG-CB 3.44Å; S517-D519 PolarHBondContact OG-N 3.25Å; S517-D519 VanDerWaalsContact OG-N 3.09Å; S517-T604 VanDerWaalsContact OG-CG2 3.23Å; S517-T604 WeakPolarHBondContact OG-CG2 3.17Å
518H90.8Very high94.5Very high97 Ų9746.1 Ų46.145%0.44924%0.243SC..  trans-84.3-0.6166.8-73.688.5000113D229 R233 P520D229-H518 VanDerWaalsContact CG-CE1 3.5Å; D229-H518 IonicContact OD1-CE1 3.47Å; D229-H518 PolarHBondContact OD1-CE1 2.9Å; D229-H518 IonicContact OD1-ND1 3.92Å; D229-H518 IonicContact OD2-CE1 3.87Å; D229-H518 PolarHBondContact OD2-CE1 3.23Å; D229-H518 VanDerWaalsContact OD2-CE1 3.25Å; D229-H518 IonicContact OD2-ND1 2.98Å; R233-H518 PolarHBondContact NE-NE2 3.45Å; R233-H518 PolarHBondContact NH1-CE1 3.35Å; H518-P520 WeakPolarHBondContact O-CD 3.47Å
519D91.4Very high94.5Very high3 Ų347.9 Ų47.92%0.01624%0.24CC..  trans-71.4118.6-177-164.3-50.3000110.8S517 R521 F522 F539S517-D519 VanDerWaalsContact C-N 3.26Å; S517-D519 VanDerWaalsContact OG-CB 3.28Å; S517-D519 WeakPolarHBondContact OG-CB 3.44Å; S517-D519 PolarHBondContact OG-N 3.25Å; S517-D519 VanDerWaalsContact OG-N 3.09Å; D519-R521 PolarHBondContact O-N 3.16Å; D519-R521 VanDerWaalsContact O-N 3.09Å; D519-R521 WeakPolarHBondContact OD1-CB 3.42Å; D519-R521 VanDerWaalsContact OD1-CG 3.29Å; D519-R521 WeakPolarHBondContact OD1-CG 3.3Å; D519-R521 IonicContact OD1-CZ 3.39Å; D519-R521 PolarHBondContact OD1-N 3.1Å; D519-R521 IonicContact OD1-NE 3.25Å; D519-R521 PolarHBondContact OD1-NE 3.36Å; D519-R521 IonicContact OD1-NH2 3.63Å; D519-R521 IonicContact OD2-CZ 3.04Å; D519-R521 VanDerWaalsContact OD2-CZ 3.26Å; D519-R521 IonicContact OD2-NE 3.98Å; D519-R521 PolarHBondContact OD2-NE 2.88Å; D519-R521 VanDerWaalsContact OD2-NE 3.12Å; D519-R521 IonicContact OD2-NH2 3.55Å; D519-R521 PolarHBondContact OD2-NH2 2.87Å; D519-F522 VanDerWaalsContact O-CB 3.31Å; D519-F522 WeakPolarHBondContact O-CB 3.32Å; D519-F522 PolarHBondContact O-N 2.97Å; D519-F539 HydrophobicContact CB-CE2 4.25Å; D519-F539 HydrophobicContact CB-CZ 3.96Å; D519-F539 WeakPolarHBondContact OD2-CE2 3.33Å
520P91.6Very high94.5Very high97 Ų9748.6 Ų48.663%0.6324%0.244SC*.Hα-helixtrans-62.8-21.9-178.226.2-34.9000112.7H518 F522 K524H518-P520 WeakPolarHBondContact O-CD 3.47Å; P520-F522 PolarHBondContact O-N 3.46Å; P520-K524 WeakPolarHBondContact O-CB 3.36Å; P520-K524 PolarHBondContact O-N 2.85Å
521R92.9Very high94.6Very high62 Ų6249.9 Ų49.923%0.23425%0.253CS..Hα-helixtrans-66-25.5175.7-62172.4-74.9-153.4-6.6112.4S197 R198 D519 Q525 F539S197-R521 PolarHBondContact OG-NH1 2.83Å; R198-R521 PolarHBondContact O-NH1 2.61Å; R198-R521 VanDerWaalsContact O-NH1 3.09Å; R198-R521 PolarHBondContact O-NH2 3.25Å; D519-R521 PolarHBondContact O-N 3.16Å; D519-R521 VanDerWaalsContact O-N 3.09Å; D519-R521 WeakPolarHBondContact OD1-CB 3.42Å; D519-R521 VanDerWaalsContact OD1-CG 3.29Å; D519-R521 WeakPolarHBondContact OD1-CG 3.3Å; D519-R521 IonicContact OD1-CZ 3.39Å; D519-R521 PolarHBondContact OD1-N 3.1Å; D519-R521 IonicContact OD1-NE 3.25Å; D519-R521 PolarHBondContact OD1-NE 3.36Å; D519-R521 IonicContact OD1-NH2 3.63Å; D519-R521 IonicContact OD2-CZ 3.04Å; D519-R521 VanDerWaalsContact OD2-CZ 3.26Å; D519-R521 IonicContact OD2-NE 3.98Å; D519-R521 PolarHBondContact OD2-NE 2.88Å; D519-R521 VanDerWaalsContact OD2-NE 3.12Å; D519-R521 IonicContact OD2-NH2 3.55Å; D519-R521 PolarHBondContact OD2-NH2 2.87Å; R521-Q525 PolarHBondContact O-NE2 3.32Å; R521-F539 HydrophobicContact CB-CB 4.16Å; R521-F539 HydrophobicContact CB-CD1 4.03Å; R521-F539 HydrophobicContact CB-CD2 4.33Å; R521-F539 HydrophobicContact CB-CG 3.92Å
522F95.2Very high94.7Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-67.8-63173.4178.5-107.2000110.4H242 P243 L509 L514 L515 D519 P520 K524 Q525 F526 F536 F539H242-F522 AromaticContact NE2-CE1 3.99Å; P243-F522 HydrophobicContact CG-CE1 4.05Å; P243-F522 HydrophobicContact CG-CZ 3.81Å; L509-F522 HydrophobicContact CD1-CZ 4.41Å; L509-F522 HydrophobicContact CD2-CE2 3.84Å; L509-F522 HydrophobicContact CD2-CZ 4.45Å; L514-F522 HydrophobicContact CB-CD2 4.29Å; L514-F522 HydrophobicContact CB-CE2 3.95Å; L514-F522 HydrophobicContact CD2-CD2 4.37Å; L514-F522 WeakPolarHBondContact O-CE1 3.36Å; L515-F522 HydrophobicContact CD2-CZ 4.18Å; D519-F522 VanDerWaalsContact O-CB 3.31Å; D519-F522 WeakPolarHBondContact O-CB 3.32Å; D519-F522 PolarHBondContact O-N 2.97Å; P520-F522 PolarHBondContact O-N 3.46Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 2.93Å; F522-Q525 PolarHBondContact O-N 3.2Å; F522-F526 HydrophobicContact CD2-CE2 4.36Å; F522-F526 HydrophobicContact CE1-CE2 4.22Å; F522-F526 AromaticContact CE2-CE2 3.86Å; F522-F526 HydrophobicContact CE2-CE2 3.86Å; F522-F526 HydrophobicContact CE2-CZ 4.47Å; F522-F526 AromaticContact CZ-CE2 3.78Å; F522-F526 HydrophobicContact CZ-CE2 3.78Å; F522-F526 HydrophobicContact CZ-CZ 4.4Å; F522-F526 WeakPolarHBondContact O-CD2 3.3Å; F522-F536 HydrophobicContact CD2-CD2 4.24Å; F522-F536 AromaticContact CD2-CE2 3.58Å; F522-F536 HydrophobicContact CD2-CE2 3.58Å; F522-F536 HydrophobicContact CD2-CZ 4.16Å; F522-F536 HydrophobicContact CE2-CD2 4.19Å; F522-F536 AromaticContact CE2-CE2 3.95Å; F522-F536 HydrophobicContact CE2-CE2 3.95Å; F522-F539 HydrophobicContact CB-CE1 3.9Å; F522-F539 HydrophobicContact CB-CZ 4.49Å; F522-F539 HydrophobicContact CD2-CE1 4.49Å
523L94.8Very high94.8Very high62 Ų6252.8 Ų52.833%0.32528%0.281SS..Hα-helixtrans-63.5-31.4-176.7-65.4-179.9000113Q525 F526 S527L523-Q525 PolarHBondContact O-N 2.79Å; L523-Q525 VanDerWaalsContact O-N 3.12Å; L523-F526 PolarHBondContact O-N 3.26Å; L523-S527 PolarHBondContact O-N 3.2Å
524K95.5Very high94.9Very high159 Ų15953.9 Ų53.969%0.69129%0.291SS*.Hα-helixtrans-55.3-32.9178.1-173.6174.1-178.3178.20112.6P520 F522 F526 S527P520-K524 WeakPolarHBondContact O-CB 3.36Å; P520-K524 PolarHBondContact O-N 2.85Å; F522-K524 VanDerWaalsContact C-N 3.26Å; F522-K524 PolarHBondContact O-N 2.93Å; K524-F526 PolarHBondContact O-N 3.33Å; K524-S527 WeakPolarHBondContact CA-OG 3.49Å; K524-S527 WeakPolarHBondContact O-CB 3.26Å; K524-S527 PolarHBondContact O-N 3.03Å; K524-S527 PolarHBondContact O-OG 3.25Å
525Q96.2Very high95Very high60 Ų6056.7 Ų56.728%0.2831%0.311SS..THydrogen-bonded Turntrans-66.3-23.1177.8-64-17649.100113.2R521 F522 L523 Q537R521-Q525 PolarHBondContact O-NE2 3.32Å; F522-Q525 PolarHBondContact O-N 3.2Å; L523-Q525 PolarHBondContact O-N 2.79Å; L523-Q525 VanDerWaalsContact O-N 3.12Å; Q525-Q537 PolarHBondContact NE2-O 2.92Å; Q525-Q537 PolarHBondContact OE1-O 2.84Å
526F97.1Very high95Very high5 Ų557.4 Ų57.42%0.02231%0.314CS..THydrogen-bonded Turntrans-99.61.9-179.7-57.7-82.7000113.5I241 P243 L246 F507 F522 L523 K524 L528 R529 P530I241-F526 WeakPolarHBondContact O-CB 3.37Å; P243-F526 HydrophobicContact CB-CD1 4.07Å; P243-F526 HydrophobicContact CB-CE1 3.72Å; P243-F526 HydrophobicContact CB-CE2 4.39Å; P243-F526 HydrophobicContact CB-CZ 3.89Å; P243-F526 HydrophobicContact CG-CD1 4.48Å; P243-F526 HydrophobicContact CG-CD2 4.28Å; P243-F526 HydrophobicContact CG-CE1 4.17Å; P243-F526 HydrophobicContact CG-CE2 3.94Å; P243-F526 HydrophobicContact CG-CZ 3.88Å; L246-F526 HydrophobicContact CD1-CB 4.34Å; L246-F526 HydrophobicContact CD1-CD1 4Å; F507-F526 HydrophobicContact CB-CE1 4.21Å; F507-F526 HydrophobicContact CB-CZ 4.39Å; F507-F526 HydrophobicContact CD1-CD1 4.48Å; F507-F526 AromaticContact CD1-CE1 3.69Å; F507-F526 HydrophobicContact CD1-CE1 3.69Å; F507-F526 HydrophobicContact CD2-CE1 4.1Å; F507-F526 HydrophobicContact CE1-CD1 4.39Å; F507-F526 HydrophobicContact CE1-CE1 4.02Å; F507-F526 HydrophobicContact CE2-CE1 4.4Å; F507-F526 AromaticContact CG-CE1 3.73Å; F507-F526 HydrophobicContact CG-CE1 3.73Å; F507-F526 HydrophobicContact CG-CZ 4.36Å; F507-F526 HydrophobicContact CZ-CE1 4.36Å; F522-F526 HydrophobicContact CD2-CE2 4.36Å; F522-F526 HydrophobicContact CE1-CE2 4.22Å; F522-F526 AromaticContact CE2-CE2 3.86Å; F522-F526 HydrophobicContact CE2-CE2 3.86Å; F522-F526 HydrophobicContact CE2-CZ 4.47Å; F522-F526 AromaticContact CZ-CE2 3.78Å; F522-F526 HydrophobicContact CZ-CE2 3.78Å; F522-F526 HydrophobicContact CZ-CZ 4.4Å; F522-F526 WeakPolarHBondContact O-CD2 3.3Å; L523-F526 PolarHBondContact O-N 3.26Å; K524-F526 PolarHBondContact O-N 3.33Å; F526-L528 PolarHBondContact O-N 3.46Å; F526-L528 VanDerWaalsContact O-N 3.14Å; F526-R529 WeakPolarHBondContact O-CA 3.41Å; F526-R529 PolarHBondContact O-N 2.95Å; F526-P530 HydrophobicContact CD1-CG 3.85Å; F526-P530 HydrophobicContact CE1-CG 4.47Å
527S95.9Very high95.1Very high61 Ų6162.9 Ų62.943%0.42734%0.34SS..THydrogen-bonded Turntrans-57.3-32-178.7-48.70000113.3L523 K524 R529L523-S527 PolarHBondContact O-N 3.2Å; K524-S527 WeakPolarHBondContact CA-OG 3.49Å; K524-S527 WeakPolarHBondContact O-CB 3.26Å; K524-S527 PolarHBondContact O-N 3.03Å; K524-S527 PolarHBondContact O-OG 3.25Å; S527-R529 VanDerWaalsContact C-N 3.26Å
528L96.3Very high95.2Very high165 Ų16565.6 Ų65.686%0.86436%0.358SS*.THydrogen-bonded Turntrans-88.19.9177.4-60.7-178.5000113.2F526F526-L528 PolarHBondContact O-N 3.46Å; F526-L528 VanDerWaalsContact O-N 3.14Å
529R96.4Very high95.3Very high104 Ų10461.9 Ų61.939%0.39234%0.34SS..  trans46.559.8-176.7-56.5-177.57897.9-1.3111.9S240 I241 L246 D249 F526 S527S240-R529 PolarHBondContact O-NH1 3.42Å; I241-R529 HydrophobicContact CG2-CG 4.45Å; L246-R529 HydrophobicContact CD2-CB 4.04Å; L246-R529 HydrophobicContact CD2-CG 4.1Å; D249-R529 IonicContact OD2-NH2 3.93Å; D249-R529 PolarHBondContact OD2-NH2 3.09Å; F526-R529 WeakPolarHBondContact O-CA 3.41Å; F526-R529 PolarHBondContact O-N 2.95Å; S527-R529 VanDerWaalsContact C-N 3.26Å
530P96.9Very high95.5Very high22 Ų2262.2 Ų62.214%0.14334%0.343CS..PPolyproline II helixtrans-59.2143.7-178.427.4-34.8000110.6F507 F526 T534F507-P530 HydrophobicContact CE1-CG 4.35Å; F526-P530 HydrophobicContact CD1-CG 3.85Å; F526-P530 HydrophobicContact CE1-CG 4.47Å; P530-T534 HydrophobicContact CB-CG2 3.82Å
531P95.7Very high95.7Very high88 Ų8859.5 Ų59.557%0.57132%0.323SS*.PPolyproline II helixtrans-67.2154.9177.629.4-35000110.7T534P531-T534 WeakPolarHBondContact O-CB 3.31Å; P531-T534 PolarHBondContact O-N 3.14Å; P531-T534 PolarHBondContact O-OG1 3.2Å
532P95.5Very high95.6Very high24 Ų2461.2 Ų61.216%0.15633%0.33CS..THydrogen-bonded Turntrans-46.4141.9165.3-31.339.5000112.3F250 Y455 L506F250-P532 HydrophobicContact CB-CG 3.9Å; F250-P532 HydrophobicContact CD1-CG 4.14Å; F250-P532 HydrophobicContact CD2-CG 3.78Å; F250-P532 HydrophobicContact CE2-CG 4.33Å; F250-P532 HydrophobicContact CG-CG 3.67Å; Y455-P532 HydrophobicContact CE1-CB 4.24Å; Y455-P532 HydrophobicContact CE2-CB 4.39Å; Y455-P532 WeakPolarHBondContact OH-CB 3.45Å; Y455-P532 PolarHBondContact OH-O 3.04Å; L506-P532 HydrophobicContact CB-CB 4.16Å; L506-P532 HydrophobicContact CD2-CB 3.82Å; L506-P532 HydrophobicContact CD2-CG 4Å; L506-P532 HydrophobicContact CG-CB 3.99Å
533G95.6Very high95.5Very high43 Ų4363.1 Ų63.144%0.44334%0.342SS..THydrogen-bonded Turntrans94-11.3-171.100000114.4L506 S535L506-G533 WeakPolarHBondContact O-CA 3.49Å; L506-G533 PolarHBondContact O-N 3.25Å; G533-S535 PolarHBondContact O-N 2.98Å
534T97.2Very high95.4Very high60 Ų6062.1 Ų62.137%0.36834%0.336SS..  trans-76111.7173.1-53.70000110.3F507 P530 P531 F536F507-T534 WeakPolarHBondContact CD1-O 3.29Å; P530-T534 HydrophobicContact CB-CG2 3.82Å; P531-T534 WeakPolarHBondContact O-CB 3.31Å; P531-T534 PolarHBondContact O-N 3.14Å; P531-T534 PolarHBondContact O-OG1 3.2Å; T534-F536 PolarHBondContact O-N 2.88Å
535S97.1Very high95.3Very high61 Ų6158.2 Ų58.243%0.42733%0.329SS..PPolyproline II helixtrans-69.2130.4-178.3-54.20000113G533 Q537G533-S535 PolarHBondContact O-N 2.98Å; S535-Q537 PolarHBondContact O-NE2 3.2Å
536F96.9Very high95.4Very high15 Ų1556.4 Ų56.47%0.06632%0.32CS..PPolyproline II helixtrans-55.9138.7168.5170.2-105.5000111.7F507 L509 L514 F522 T534 P538 F539F507-F536 WeakPolarHBondContact O-CB 3.43Å; F507-F536 PolarHBondContact O-N 2.66Å; L509-F536 HydrophobicContact CD2-CB 3.49Å; L509-F536 VanDerWaalsContact CD2-CB 3.49Å; L509-F536 HydrophobicContact CD2-CD1 3.82Å; L509-F536 HydrophobicContact CD2-CD2 3.83Å; L509-F536 HydrophobicContact CD2-CE1 4.5Å; L509-F536 HydrophobicContact CD2-CG 3.43Å; L509-F536 VanDerWaalsContact CD2-CG 3.43Å; L514-F536 HydrophobicContact CD1-CD1 4.46Å; L514-F536 HydrophobicContact CD1-CE1 3.84Å; L514-F536 HydrophobicContact CD1-CZ 4.28Å; L514-F536 HydrophobicContact CD2-CE1 4.42Å; L514-F536 HydrophobicContact CD2-CZ 4.09Å; F522-F536 HydrophobicContact CD2-CD2 4.24Å; F522-F536 AromaticContact CD2-CE2 3.58Å; F522-F536 HydrophobicContact CD2-CE2 3.58Å; F522-F536 HydrophobicContact CD2-CZ 4.16Å; F522-F536 HydrophobicContact CE2-CD2 4.19Å; F522-F536 AromaticContact CE2-CE2 3.95Å; F522-F536 HydrophobicContact CE2-CE2 3.95Å; T534-F536 PolarHBondContact O-N 2.88Å; F536-P538 HydrophobicContact CD1-CG 4.48Å; F536-P538 HydrophobicContact CE1-CB 4.36Å; F536-P538 HydrophobicContact CE1-CG 4.3Å; F536-F539 HydrophobicContact CE2-CD1 4.27Å; F536-F539 HydrophobicContact CE2-CE1 4.34Å; F536-F539 AromaticContact CZ-CD1 3.88Å; F536-F539 HydrophobicContact CZ-CD1 3.88Å; F536-F539 AromaticContact CZ-CE1 3.91Å; F536-F539 HydrophobicContact CZ-CE1 3.91Å
537Q95.5Very high95.4Very high124 Ų12459.1 Ų59.158%0.57934%0.34SS*.PPolyproline II helixtrans-103.1116176.3-59.3-56-53.100109.8Q525 S535 F539Q525-Q537 PolarHBondContact NE2-O 2.92Å; Q525-Q537 PolarHBondContact OE1-O 2.84Å; S535-Q537 PolarHBondContact O-NE2 3.2Å; Q537-F539 PolarHBondContact O-N 3.16Å
538P94.7Very high95.5Very high66 Ų6657.8 Ų57.843%0.42933%0.326SS..PPolyproline II helixtrans-59.9125.4179-25.134.7000112.3F536 L541F536-P538 HydrophobicContact CD1-CG 4.48Å; F536-P538 HydrophobicContact CE1-CB 4.36Å; F536-P538 HydrophobicContact CE1-CG 4.3Å; P538-L541 HydrophobicContact CB-CD2 4.23Å
539F93.6Very high95.6Very high19 Ų1953.2 Ų53.28%0.08330%0.303CS..SBendtrans-90-11.3172.159.3-99.2000113.1I159 S161 L514 D519 R521 F522 F536 Q537 T604I159-F539 HydrophobicContact CD1-CD2 3.82Å; I159-F539 HydrophobicContact CD1-CE2 4.29Å; S161-F539 WeakPolarHBondContact CA-O 3.23Å; S161-F539 PolarHBondContact OG-O 3.3Å; L514-F539 HydrophobicContact CD2-CE1 4.18Å; L514-F539 HydrophobicContact CD2-CZ 4.24Å; D519-F539 HydrophobicContact CB-CE2 4.25Å; D519-F539 HydrophobicContact CB-CZ 3.96Å; D519-F539 WeakPolarHBondContact OD2-CE2 3.33Å; R521-F539 HydrophobicContact CB-CB 4.16Å; R521-F539 HydrophobicContact CB-CD1 4.03Å; R521-F539 HydrophobicContact CB-CD2 4.33Å; R521-F539 HydrophobicContact CB-CG 3.92Å; F522-F539 HydrophobicContact CB-CE1 3.9Å; F522-F539 HydrophobicContact CB-CZ 4.49Å; F522-F539 HydrophobicContact CD2-CE1 4.49Å; F536-F539 HydrophobicContact CE2-CD1 4.27Å; F536-F539 HydrophobicContact CE2-CE1 4.34Å; F536-F539 AromaticContact CZ-CD1 3.88Å; F536-F539 HydrophobicContact CZ-CD1 3.88Å; F536-F539 AromaticContact CZ-CE1 3.91Å; F536-F539 HydrophobicContact CZ-CE1 3.91Å; Q537-F539 PolarHBondContact O-N 3.16Å; F539-T604 HydrophobicContact CZ-CG2 4.19Å
540S95.1Very high95.7Very high10 Ų1048.4 Ų48.47%0.0729%0.285CS..SBendtrans-116.7112.4169.2-171.60000108.7H603S540-H603 VanDerWaalsContact CB-O 3.22Å; S540-H603 WeakPolarHBondContact CB-O 3.42Å
541L95.1Very high95.7Very high39 Ų3948.2 Ų48.220%0.20428%0.284CS..  trans-94.2132.7-177-58.8-176.8000110.8L160 P538L160-L541 HydrophobicContact CD2-CB 4.2Å; L160-L541 HydrophobicContact CG-CB 4.18Å; L160-L541 WeakPolarHBondContact O-CB 3.44Å; L160-L541 PolarHBondContact O-N 3.43Å; P538-L541 HydrophobicContact CB-CD2 4.23Å
542Y91.9Very high95.7Very high98 Ų9844 Ų4438%0.38426%0.257SS..SBendtrans52.950.2174.3-38.1-57.2000114P135 A136 L160 V163P135-Y542 HydrophobicContact CB-CD1 3.94Å; P135-Y542 HydrophobicContact CB-CE1 3.77Å; P135-Y542 HydrophobicContact CB-CG 4.4Å; P135-Y542 VanDerWaalsContact CD-CG 3.47Å; P135-Y542 HydrophobicContact CG-CD1 3.51Å; P135-Y542 HydrophobicContact CG-CD2 4.27Å; P135-Y542 HydrophobicContact CG-CE1 3.91Å; P135-Y542 HydrophobicContact CG-CG 3.7Å; A136-Y542 HydrophobicContact CB-CE2 4.48Å; L160-Y542 HydrophobicContact CD2-CD2 3.82Å; L160-Y542 HydrophobicContact CD2-CE2 4.36Å; V163-Y542 HydrophobicContact CG2-CE2 4.16Å
543P92.2Very high95.7Very high40 Ų4045.4 Ų45.426%0.2626%0.259SS..  trans-56.7143.617524.1-31.7000110.5H601 S602P543-H601 VanDerWaalsContact CG-CE1 3.49Å; P543-H601 WeakPolarHBondContact CG-CE1 3.46Å; P543-H601 PolarHBondContact O-CE1 3.07Å; P543-H601 VanDerWaalsContact O-CE1 3.32Å; P543-S602 WeakPolarHBondContact CB-O 3.05Å
544E92.4Very high95.5Very high41 Ų4143.6 Ų43.619%0.19224%0.239CC..  trans-87.5155.1178.4-73.9175.7-137.300111.2W143 A151 F546 H601W143-E544 HydrophobicContact CH2-CG 4.45Å; W143-E544 WeakPolarHBondContact CH2-OE1 3.47Å; W143-E544 HydrophobicContact CZ2-CG 4.45Å; W143-E544 WeakPolarHBondContact CZ2-OE1 3.42Å; W143-E544 WeakPolarHBondContact CZ2-OE2 3.29Å; A151-E544 WeakPolarHBondContact CA-OE1 2.96Å; A151-E544 VanDerWaalsContact CB-OE1 3.29Å; A151-E544 WeakPolarHBondContact CB-OE1 3.2Å; A151-E544 PolarHBondContact N-OE1 3.23Å; A151-E544 VanDerWaalsContact N-OE1 3.14Å; E544-F546 HydrophobicContact CB-CE2 4.28Å; E544-F546 HydrophobicContact CB-CZ 4Å; E544-H601 PolarHBondContact O-ND1 3.25Å
545S94.9Very high95Very high78 Ų7842.6 Ų42.655%0.54524%0.241SC..EExtended strand (participates in β ladder)trans-114.6142.7171.5600000110.7Y600S545-Y600 CarbonylContact C-O 3.49Å; S545-Y600 VanDerWaalsContact CA-O 3.28Å; S545-Y600 WeakPolarHBondContact CA-O 3.4Å
546F97.3Very high94.2Very high21 Ų2145.7 Ų45.79%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-120.2134.1178.8-54.5-79.2000109.8E544 F548 I599 Y600 L607 H609 A612E544-F546 HydrophobicContact CB-CE2 4.28Å; E544-F546 HydrophobicContact CB-CZ 4Å; F546-F548 HydrophobicContact CB-CE2 3.97Å; F546-F548 HydrophobicContact CB-CZ 4.27Å; F546-I599 CarbonylContact O-C 3.59Å; F546-I599 WeakPolarHBondContact O-CA 3.45Å; F546-Y600 PolarHBondContact N-O 3.16Å; F546-Y600 PolarHBondContact O-N 3.18Å; F546-L607 HydrophobicContact CD2-CD2 3.89Å; F546-L607 HydrophobicContact CD2-CG 4.04Å; F546-L607 HydrophobicContact CE2-CB 4.49Å; F546-L607 HydrophobicContact CE2-CD2 4.14Å; F546-L607 HydrophobicContact CE2-CG 3.91Å; F546-L607 VanDerWaalsContact CE2-O 3.32Å; F546-L607 WeakPolarHBondContact CE2-O 3.19Å; F546-H609 HydrophobicContact CD1-CB 4.07Å; F546-H609 AromaticContact CD1-CD2 3.96Å; F546-H609 HydrophobicContact CE1-CB 3.66Å; F546-H609 HydrophobicContact CZ-CB 4.23Å; F546-A612 HydrophobicContact CB-CB 4.13Å; F546-A612 HydrophobicContact CD2-CB 3.8Å; F546-A612 HydrophobicContact CG-CB 4.07Å
547S97.9Very high93.5Very high63 Ų6349.6 Ų49.644%0.44130%0.295SS..EExtended strand (participates in β ladder)trans-109.9124.7178.6-175.90000109.5R597 L598S547-R597 WeakPolarHBondContact OG-CD 3.17Å; S547-R597 WeakPolarHBondContact OG-CG 3.47Å; S547-L598 WeakPolarHBondContact CA-O 3.45Å
548F98.3Very high93Very high32 Ų3245.7 Ų45.714%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-128.1143.6171.6-60-63.9000109.9F546 L598 Y600 A612 L613 H616F546-F548 HydrophobicContact CB-CE2 3.97Å; F546-F548 HydrophobicContact CB-CZ 4.27Å; F548-L598 PolarHBondContact N-O 2.74Å; F548-L598 PolarHBondContact O-N 3.01Å; F548-Y600 HydrophobicContact CB-CE2 4.37Å; F548-Y600 AromaticContact CD2-CD2 3.7Å; F548-Y600 HydrophobicContact CD2-CD2 3.7Å; F548-Y600 AromaticContact CD2-CE2 3.67Å; F548-Y600 HydrophobicContact CD2-CE2 3.67Å; F548-Y600 HydrophobicContact CE2-CD2 4.32Å; F548-A612 HydrophobicContact CE2-CB 3.74Å; F548-A612 HydrophobicContact CZ-CB 4.4Å; F548-L613 HydrophobicContact CE1-CD1 4.45Å; F548-L613 HydrophobicContact CZ-CB 4.24Å; F548-H616 VanDerWaalsContact CB-CE1 3.41Å; F548-H616 WeakPolarHBondContact CB-CE1 3.24Å; F548-H616 WeakPolarHBondContact CB-ND1 3.41Å; F548-H616 HydrophobicContact CD2-CB 4.18Å
549D98.3Very high92.6Very high69 Ų6945.7 Ų45.737%0.36927%0.269SS..EExtended strand (participates in β ladder)trans-104.4138.7174.9-65.6-10.7000108.5I581 Y596 R597D549-I581 HydrophobicContact CB-CD1 4.47Å; D549-Y596 CarbonylContact C-O 3.55Å; D549-Y596 VanDerWaalsContact CA-O 3.29Å; D549-Y596 WeakPolarHBondContact CA-O 3.44Å; D549-R597 VanDerWaalsContact OD1-CB 3.31Å; D549-R597 WeakPolarHBondContact OD1-CB 3.42Å; D549-R597 VanDerWaalsContact OD1-CG 3.31Å; D549-R597 WeakPolarHBondContact OD1-CG 3.26Å; D549-R597 IonicContact OD1-CZ 2.65Å; D549-R597 IonicContact OD1-NE 2.66Å; D549-R597 PolarHBondContact OD1-NE 3.39Å; D549-R597 IonicContact OD1-NH2 3.94Å; D549-R597 PolarHBondContact OD1-NH2 3.22Å; D549-R597 IonicContact OD2-CZ 3.26Å; D549-R597 IonicContact OD2-NE 3Å; D549-R597 IonicContact OD2-NH2 3.28Å; D549-R597 PolarHBondContact OD2-NH2 2.74Å
550I97.8Very high92.5Very high4 Ų449 Ų492%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-125.8131.7174.1-166.7166000109.7F552 F563 C595 Y596 L598 L619 E620 L623I550-F552 HydrophobicContact CG1-CD1 4.3Å; I550-F552 HydrophobicContact CG2-CE1 4.34Å; I550-F563 HydrophobicContact CG2-CE2 4.33Å; I550-F563 HydrophobicContact CG2-CZ 4.21Å; I550-C595 CarbonylContact O-C 3.51Å; I550-C595 WeakPolarHBondContact O-CA 3.39Å; I550-Y596 PolarHBondContact N-O 3.41Å; I550-Y596 PolarHBondContact O-N 2.86Å; I550-L598 HydrophobicContact CG2-CD1 3.66Å; I550-L619 HydrophobicContact CD1-CD2 3.9Å; I550-L619 HydrophobicContact CD1-CG 3.93Å; I550-E620 HydrophobicContact CD1-CG 4Å; I550-L623 HydrophobicContact CD1-CD1 3.54Å
551S97.1Very high92.2Very high17 Ų1752.1 Ų52.112%0.11930%0.297CS..EExtended strand (participates in β ladder)trans-120.2140.6176.8-710000110.5Y594 C595 V631 R632S551-Y594 VanDerWaalsContact CA-O 3.27Å; S551-Y594 WeakPolarHBondContact CA-O 3.18Å; S551-C595 WeakPolarHBondContact OG-CB 3.44Å; S551-C595 PolarHBondContact OG-SG 3.23Å; S551-V631 WeakPolarHBondContact O-CA 3.43Å; S551-R632 PolarHBondContact O-N 2.73Å
552F95.9Very high92.1Very high0 Ų053.8 Ų53.80%030%0.304CS..EExtended strand (participates in β ladder)trans-156.7152.3175.951.4-94.4000112.2I550 T554 W558 F563 S593 Y594 Y596 L623 V629 T630 V631I550-F552 HydrophobicContact CG1-CD1 4.3Å; I550-F552 HydrophobicContact CG2-CE1 4.34Å; F552-T554 HydrophobicContact CD2-CG2 3.52Å; F552-T554 HydrophobicContact CE2-CG2 3.54Å; F552-W558 HydrophobicContact CD2-CH2 4.12Å; F552-W558 HydrophobicContact CD2-CZ3 4.21Å; F552-W558 HydrophobicContact CE1-CH2 4.43Å; F552-W558 HydrophobicContact CE2-CD2 4.46Å; F552-W558 HydrophobicContact CE2-CE3 4.26Å; F552-W558 AromaticContact CE2-CH2 3.13Å; F552-W558 HydrophobicContact CE2-CH2 3.13Å; F552-W558 AromaticContact CE2-CZ2 3.4Å; F552-W558 HydrophobicContact CE2-CZ2 3.4Å; F552-W558 VanDerWaalsContact CE2-CZ2 3.4Å; F552-W558 AromaticContact CE2-CZ3 3.6Å; F552-W558 HydrophobicContact CE2-CZ3 3.6Å; F552-W558 AromaticContact CZ-CH2 3.33Å; F552-W558 HydrophobicContact CZ-CH2 3.33Å; F552-W558 AromaticContact CZ-CZ2 3.53Å; F552-W558 HydrophobicContact CZ-CZ2 3.53Å; F552-W558 HydrophobicContact CZ-CZ3 4.21Å; F552-F563 HydrophobicContact CE1-CD2 4.01Å; F552-F563 AromaticContact CE1-CE2 3.62Å; F552-F563 HydrophobicContact CE1-CE2 3.62Å; F552-F563 HydrophobicContact CE1-CZ 4.19Å; F552-F563 AromaticContact CZ-CD2 3.88Å; F552-F563 HydrophobicContact CZ-CD2 3.88Å; F552-F563 AromaticContact CZ-CE2 3.92Å; F552-F563 HydrophobicContact CZ-CE2 3.92Å; F552-F563 HydrophobicContact CZ-CG 4.42Å; F552-F563 HydrophobicContact CZ-CZ 4.45Å; F552-S593 WeakPolarHBondContact O-CA 3.26Å; F552-Y594 HydrophobicContact CE2-CD2 4.49Å; F552-Y594 PolarHBondContact N-O 3.31Å; F552-Y594 PolarHBondContact O-N 2.89Å; F552-Y596 AromaticContact CE1-CD2 3.99Å; F552-Y596 HydrophobicContact CE1-CD2 3.99Å; F552-Y596 HydrophobicContact CE1-CE2 4.32Å; F552-Y596 AromaticContact CZ-CD2 3.89Å; F552-Y596 HydrophobicContact CZ-CD2 3.89Å; F552-Y596 AromaticContact CZ-CE2 3.75Å; F552-Y596 HydrophobicContact CZ-CE2 3.75Å; F552-L623 HydrophobicContact CD1-CD1 4.15Å; F552-L623 HydrophobicContact CE1-CD1 4.17Å; F552-V629 HydrophobicContact CB-CB 4.25Å; F552-V629 HydrophobicContact CB-CG2 4.13Å; F552-V629 HydrophobicContact CD2-CB 4.13Å; F552-V629 HydrophobicContact CD2-CG1 4.13Å; F552-V629 HydrophobicContact CD2-CG2 4.2Å; F552-V629 HydrophobicContact CG-CB 4.46Å; F552-V629 HydrophobicContact CG-CG2 4.2Å; F552-T630 CarbonylContact C-O 3.39Å; F552-T630 VanDerWaalsContact CA-O 3.22Å; F552-T630 WeakPolarHBondContact CA-O 3.3Å; F552-T630 WeakPolarHBondContact CB-O 3.47Å; F552-V631 HydrophobicContact CB-CG2 4.49Å
553W94.5Very high92.2Very high53 Ų5349.1 Ų49.120%0.20129%0.286CS..EExtended strand (participates in β ladder)trans-89.7137.4173.1-66.895.7000111.4F584 H586 Q591 V629 T630W553-F584 AromaticContact CH2-CD1 3.59Å; W553-F584 HydrophobicContact CH2-CD1 3.59Å; W553-F584 AromaticContact CH2-CE1 3.79Å; W553-F584 HydrophobicContact CH2-CE1 3.79Å; W553-F584 HydrophobicContact CZ3-CD1 4.09Å; W553-F584 HydrophobicContact CZ3-CE1 4.44Å; W553-H586 HydrophobicContact CH2-CB 4.29Å; W553-H586 HydrophobicContact CZ3-CB 3.99Å; W553-Q591 HydrophobicContact CE3-CB 3.86Å; W553-Q591 HydrophobicContact CZ3-CB 4.37Å; W553-V629 WeakPolarHBondContact O-CB 3.48Å; W553-T630 PolarHBondContact N-O 3.24Å; W553-T630 PolarHBondContact O-N 3.46Å
554T92.1Very high92.4Very high6 Ų647.6 Ų47.64%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-124.3152.3-177.665.30000111.1F552 W558 Q591 T592 Y594 V629F552-T554 HydrophobicContact CD2-CG2 3.52Å; F552-T554 HydrophobicContact CE2-CG2 3.54Å; T554-W558 HydrophobicContact CG2-CB 4.17Å; T554-W558 HydrophobicContact CG2-CD2 3.48Å; T554-W558 VanDerWaalsContact CG2-CD2 3.48Å; T554-W558 HydrophobicContact CG2-CE3 3.54Å; T554-W558 HydrophobicContact CG2-CG 3.73Å; T554-W558 HydrophobicContact CG2-CZ3 4.11Å; T554-Q591 VanDerWaalsContact O-CA 3.23Å; T554-Q591 WeakPolarHBondContact O-CA 3.4Å; T554-T592 PolarHBondContact N-O 3.38Å; T554-T592 PolarHBondContact O-N 3.47Å; T554-T592 VanDerWaalsContact O-N 3.12Å; T554-T592 PolarHBondContact OG1-O 2.97Å; T554-Y594 HydrophobicContact CG2-CD2 3.68Å; T554-Y594 HydrophobicContact CG2-CE2 4Å; T554-Y594 VanDerWaalsContact OG1-CE2 3.24Å; T554-Y594 WeakPolarHBondContact OG1-CE2 3.39Å; T554-V629 HydrophobicContact CG2-CG1 3.99Å
555G86.4Confident92.5Very high39 Ų3946.1 Ų46.140%0.40227%0.27SS..  trans-93.8-177.9166.400000112.1A557 W558G555-A557 VanDerWaalsContact C-N 3.25Å; G555-A557 PolarHBondContact O-N 3.48Å; G555-W558 WeakPolarHBondContact O-CB 3.19Å; G555-W558 PolarHBondContact O-N 2.83Å
556P80.8Confident92.6Very high126 Ų12642.4 Ų42.482%0.81824%0.244SC*.THydrogen-bonded Turntrans-67.2-20.1-175.526.7-35.1000114.7W558P556-W558 VanDerWaalsContact C-N 3.25Å; P556-W558 PolarHBondContact O-N 3.27Å
557A80.9Confident92.6Very high97 Ų9741.4 Ų41.480%0.80224%0.24SC*.THydrogen-bonded Turntrans-87.816.9179.600000113.6G555G555-A557 VanDerWaalsContact C-N 3.25Å; G555-A557 PolarHBondContact O-N 3.48Å
558W85.1Confident92.4Very high42 Ų4239.2 Ų39.216%0.15922%0.222CC..  trans-76.2131.6-179.2165-93.8000112F552 T554 G555 P556 F563 M627 V629F552-W558 HydrophobicContact CD2-CH2 4.12Å; F552-W558 HydrophobicContact CD2-CZ3 4.21Å; F552-W558 HydrophobicContact CE1-CH2 4.43Å; F552-W558 HydrophobicContact CE2-CD2 4.46Å; F552-W558 HydrophobicContact CE2-CE3 4.26Å; F552-W558 AromaticContact CE2-CH2 3.13Å; F552-W558 HydrophobicContact CE2-CH2 3.13Å; F552-W558 AromaticContact CE2-CZ2 3.4Å; F552-W558 HydrophobicContact CE2-CZ2 3.4Å; F552-W558 VanDerWaalsContact CE2-CZ2 3.4Å; F552-W558 AromaticContact CE2-CZ3 3.6Å; F552-W558 HydrophobicContact CE2-CZ3 3.6Å; F552-W558 AromaticContact CZ-CH2 3.33Å; F552-W558 HydrophobicContact CZ-CH2 3.33Å; F552-W558 AromaticContact CZ-CZ2 3.53Å; F552-W558 HydrophobicContact CZ-CZ2 3.53Å; F552-W558 HydrophobicContact CZ-CZ3 4.21Å; T554-W558 HydrophobicContact CG2-CB 4.17Å; T554-W558 HydrophobicContact CG2-CD2 3.48Å; T554-W558 VanDerWaalsContact CG2-CD2 3.48Å; T554-W558 HydrophobicContact CG2-CE3 3.54Å; T554-W558 HydrophobicContact CG2-CG 3.73Å; T554-W558 HydrophobicContact CG2-CZ3 4.11Å; G555-W558 WeakPolarHBondContact O-CB 3.19Å; G555-W558 PolarHBondContact O-N 2.83Å; P556-W558 VanDerWaalsContact C-N 3.25Å; P556-W558 PolarHBondContact O-N 3.27Å; W558-F563 HydrophobicContact CH2-CB 3.5Å; W558-F563 AromaticContact CH2-CD2 3.96Å; W558-F563 HydrophobicContact CH2-CD2 3.96Å; W558-F563 AromaticContact CH2-CG 3.96Å; W558-F563 HydrophobicContact CH2-CG 3.96Å; W558-F563 HydrophobicContact CZ2-CB 3.46Å; W558-F563 VanDerWaalsContact CZ2-CB 3.46Å; W558-F563 HydrophobicContact CZ2-CD2 4.34Å; W558-F563 AromaticContact CZ2-CG 3.94Å; W558-F563 HydrophobicContact CZ2-CG 3.94Å; W558-M627 HydrophobicContact CD2-CE 3.96Å; W558-M627 HydrophobicContact CE3-CB 4.44Å; W558-M627 HydrophobicContact CE3-CE 3.24Å; W558-M627 HydrophobicContact CE3-SD 4.11Å; W558-M627 HydrophobicContact CH2-CE 3.46Å; W558-M627 VanDerWaalsContact CH2-CE 3.46Å; W558-M627 HydrophobicContact CH2-SD 3.5Å; W558-M627 WeakPolarHBondContact CH2-SD 3.5Å; W558-M627 HydrophobicContact CZ2-CE 4.12Å; W558-M627 HydrophobicContact CZ3-CB 3.96Å; W558-M627 HydrophobicContact CZ3-CE 2.97Å; W558-M627 HydrophobicContact CZ3-CG 4.23Å; W558-M627 HydrophobicContact CZ3-SD 3.22Å; W558-M627 WeakPolarHBondContact CZ3-SD 3.07Å; W558-V629 HydrophobicContact CE3-CG1 3.59Å; W558-V629 HydrophobicContact CZ3-CG1 3.46Å; W558-V629 VanDerWaalsContact CZ3-CG1 3.46Å
559E86.6Confident92.3Very high66 Ų6639.1 Ų39.131%0.30822%0.222SC..  trans-118.2116.8175.8-63.2-174.7168.200111.1K561 M562 M627E559-K561 VanDerWaalsContact C-N 3.26Å; E559-K561 HydrophobicContact CB-CG 4.23Å; E559-K561 PolarHBondContact O-N 3.35Å; E559-K561 WeakPolarHBondContact OE2-CE 3.3Å; E559-K561 IonicContact OE2-NZ 2.65Å; E559-K561 PolarHBondContact OE2-NZ 3.29Å; E559-M562 WeakPolarHBondContact O-CB 3.42Å; E559-M562 PolarHBondContact O-N 3.11Å; E559-M562 VanDerWaalsContact O-N 3.15Å; E559-M627 WeakPolarHBondContact O-CE 3.22Å
560E91.4Very high92.2Very high89 Ų8936.2 Ų36.242%0.41621%0.207SC..Hα-helixtrans-62.4-29.4-178.4-177.2168.8-148.500113.4M562 F563 H564 Y596E560-M562 VanDerWaalsContact C-N 3.28Å; E560-M562 PolarHBondContact O-N 2.72Å; E560-F563 VanDerWaalsContact O-CB 3.29Å; E560-F563 WeakPolarHBondContact O-CB 3.39Å; E560-F563 PolarHBondContact O-N 3.03Å; E560-F563 VanDerWaalsContact O-N 3.16Å; E560-H564 PolarHBondContact O-CD2 3.03Å; E560-H564 VanDerWaalsContact O-CD2 3.31Å; E560-H564 PolarHBondContact O-N 3.03Å; E560-H564 VanDerWaalsContact O-N 3.16Å; E560-Y596 VanDerWaalsContact CD-OH 3.29Å; E560-Y596 WeakPolarHBondContact OE1-CE1 3.26Å; E560-Y596 PolarHBondContact OE1-OH 2.97Å
561K90.2Very high92.1Very high75 Ų7536 Ų3633%0.32621%0.206SC..Hα-helixtrans-60.3-37.7175.663-178.1177.3-176.60112.7E559 F563 H564 A565E559-K561 VanDerWaalsContact C-N 3.26Å; E559-K561 HydrophobicContact CB-CG 4.23Å; E559-K561 PolarHBondContact O-N 3.35Å; E559-K561 WeakPolarHBondContact OE2-CE 3.3Å; E559-K561 IonicContact OE2-NZ 2.65Å; E559-K561 PolarHBondContact OE2-NZ 3.29Å; K561-F563 VanDerWaalsContact C-N 3.32Å; K561-F563 PolarHBondContact O-N 2.87Å; K561-H564 PolarHBondContact O-N 2.94Å; K561-A565 PolarHBondContact O-N 3.32Å
562M91.4Very high91.9Very high73 Ų7337.3 Ų37.336%0.3622%0.215SC..Hα-helixtrans-69-34.5178.5-177.868.969.600111E559 E560 A565 I566 M627E559-M562 WeakPolarHBondContact O-CB 3.42Å; E559-M562 PolarHBondContact O-N 3.11Å; E559-M562 VanDerWaalsContact O-N 3.15Å; E560-M562 VanDerWaalsContact C-N 3.28Å; E560-M562 PolarHBondContact O-N 2.72Å; M562-A565 PolarHBondContact O-N 3.3Å; M562-I566 HydrophobicContact CG-CD1 4.15Å; M562-I566 WeakPolarHBondContact O-CG1 3.35Å; M562-I566 PolarHBondContact O-N 3.24Å; M562-M627 HydrophobicContact CB-CE 3.63Å; M562-M627 HydrophobicContact CB-SD 4.33Å; M562-M627 HydrophobicContact CG-CE 3.71Å; M562-M627 HydrophobicContact CG-CG 4.11Å; M562-M627 HydrophobicContact CG-SD 3.97Å
563F95.5Very high91.8Very high0 Ų038.3 Ų38.30%023%0.225CC..Hα-helixtrans-59-49.2171171-114000111.6I550 F552 W558 E560 K561 A565 I566 V567 V578 Y596 L598 L623 M627I550-F563 HydrophobicContact CG2-CE2 4.33Å; I550-F563 HydrophobicContact CG2-CZ 4.21Å; F552-F563 HydrophobicContact CE1-CD2 4.01Å; F552-F563 AromaticContact CE1-CE2 3.62Å; F552-F563 HydrophobicContact CE1-CE2 3.62Å; F552-F563 HydrophobicContact CE1-CZ 4.19Å; F552-F563 AromaticContact CZ-CD2 3.88Å; F552-F563 HydrophobicContact CZ-CD2 3.88Å; F552-F563 AromaticContact CZ-CE2 3.92Å; F552-F563 HydrophobicContact CZ-CE2 3.92Å; F552-F563 HydrophobicContact CZ-CG 4.42Å; F552-F563 HydrophobicContact CZ-CZ 4.45Å; W558-F563 HydrophobicContact CH2-CB 3.5Å; W558-F563 AromaticContact CH2-CD2 3.96Å; W558-F563 HydrophobicContact CH2-CD2 3.96Å; W558-F563 AromaticContact CH2-CG 3.96Å; W558-F563 HydrophobicContact CH2-CG 3.96Å; W558-F563 HydrophobicContact CZ2-CB 3.46Å; W558-F563 VanDerWaalsContact CZ2-CB 3.46Å; W558-F563 HydrophobicContact CZ2-CD2 4.34Å; W558-F563 AromaticContact CZ2-CG 3.94Å; W558-F563 HydrophobicContact CZ2-CG 3.94Å; E560-F563 VanDerWaalsContact O-CB 3.29Å; E560-F563 WeakPolarHBondContact O-CB 3.39Å; E560-F563 PolarHBondContact O-N 3.03Å; E560-F563 VanDerWaalsContact O-N 3.16Å; K561-F563 VanDerWaalsContact C-N 3.32Å; K561-F563 PolarHBondContact O-N 2.87Å; F563-A565 VanDerWaalsContact C-N 3.33Å; F563-A565 PolarHBondContact O-N 3.36Å; F563-I566 PolarHBondContact O-N 3.41Å; F563-V567 HydrophobicContact CD2-CG2 4.05Å; F563-V567 HydrophobicContact CE1-CG2 4.25Å; F563-V567 HydrophobicContact CE2-CG2 3.7Å; F563-V567 HydrophobicContact CG-CG2 4.43Å; F563-V567 HydrophobicContact CZ-CG2 3.82Å; F563-V567 VanDerWaalsContact O-CG2 3.23Å; F563-V567 WeakPolarHBondContact O-CG2 3.46Å; F563-V567 PolarHBondContact O-N 3.03Å; F563-V578 HydrophobicContact CE1-CG1 3.73Å; F563-V578 HydrophobicContact CZ-CG1 4.44Å; F563-Y596 HydrophobicContact CD1-CD2 4.44Å; F563-Y596 HydrophobicContact CD1-CE1 4.41Å; F563-Y596 HydrophobicContact CD1-CE2 4.24Å; F563-Y596 AromaticContact CE1-CD1 3.74Å; F563-Y596 HydrophobicContact CE1-CD1 3.74Å; F563-Y596 AromaticContact CE1-CD2 3.66Å; F563-Y596 HydrophobicContact CE1-CD2 3.66Å; F563-Y596 AromaticContact CE1-CE1 3.96Å; F563-Y596 HydrophobicContact CE1-CE1 3.96Å; F563-Y596 AromaticContact CE1-CE2 3.89Å; F563-Y596 HydrophobicContact CE1-CE2 3.89Å; F563-Y596 AromaticContact CE1-CG 3.57Å; F563-Y596 HydrophobicContact CE1-CG 3.57Å; F563-Y596 HydrophobicContact CE2-CD2 4.49Å; F563-Y596 HydrophobicContact CZ-CD1 4.36Å; F563-Y596 AromaticContact CZ-CD2 3.71Å; F563-Y596 HydrophobicContact CZ-CD2 3.71Å; F563-Y596 HydrophobicContact CZ-CE2 4.28Å; F563-Y596 AromaticContact CZ-CG 3.74Å; F563-Y596 HydrophobicContact CZ-CG 3.74Å; F563-L598 HydrophobicContact CZ-CD1 4.39Å; F563-L623 HydrophobicContact CD2-CD1 4.16Å; F563-L623 HydrophobicContact CD2-CD2 3.7Å; F563-L623 HydrophobicContact CE2-CD1 3.96Å; F563-L623 HydrophobicContact CE2-CD2 4.31Å; F563-M627 HydrophobicContact CB-SD 4.25Å
564H96.1Very high91.8Very high9 Ų936 Ų364%0.04222%0.217CC..Hα-helixtrans-61.9-39.1177-74.9-73.6000113I417 E560 K561 V567 R568I417-H564 HydrophobicContact CD1-CB 4.44Å; I417-H564 HydrophobicContact CG1-CB 4.21Å; I417-H564 PolarHBondContact N-CE1 3.49Å; I417-H564 PolarHBondContact N-ND1 2.75Å; E560-H564 PolarHBondContact O-CD2 3.03Å; E560-H564 VanDerWaalsContact O-CD2 3.31Å; E560-H564 PolarHBondContact O-N 3.03Å; E560-H564 VanDerWaalsContact O-N 3.16Å; K561-H564 PolarHBondContact O-N 2.94Å; H564-V567 PolarHBondContact O-N 3.46Å; H564-R568 WeakPolarHBondContact O-CG 3.36Å; H564-R568 PolarHBondContact O-N 3.44Å
565A94.6Very high92Very high10 Ų1035.9 Ų35.98%0.08322%0.216CC..Hα-helixtrans-59.9-49.4174.500000111.7E226 K561 M562 F563 V567 R568 E569E226-A565 HydrophobicContact CG-CB 4.13Å; K561-A565 PolarHBondContact O-N 3.32Å; M562-A565 PolarHBondContact O-N 3.3Å; F563-A565 VanDerWaalsContact C-N 3.33Å; F563-A565 PolarHBondContact O-N 3.36Å; A565-V567 VanDerWaalsContact C-N 3.32Å; A565-V567 PolarHBondContact O-N 3.33Å; A565-R568 PolarHBondContact O-N 3Å; A565-R568 VanDerWaalsContact O-N 3.17Å; A565-E569 PolarHBondContact O-N 2.98Å
566I95.7Very high92.4Very high0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-63.7-37.3178-67.2171.3000111.5M562 F563 E569 A570 L619 L622 L623 R626 M627M562-I566 HydrophobicContact CG-CD1 4.15Å; M562-I566 WeakPolarHBondContact O-CG1 3.35Å; M562-I566 PolarHBondContact O-N 3.24Å; F563-I566 PolarHBondContact O-N 3.41Å; I566-E569 PolarHBondContact O-N 2.99Å; I566-A570 VanDerWaalsContact O-CB 3.32Å; I566-A570 WeakPolarHBondContact O-CB 3.48Å; I566-A570 PolarHBondContact O-N 3.39Å; I566-L619 HydrophobicContact CG2-CD1 3.78Å; I566-L622 HydrophobicContact CG2-CB 3.53Å; I566-L622 HydrophobicContact CG2-CD1 4.21Å; I566-L623 HydrophobicContact CB-CD2 4.27Å; I566-L623 HydrophobicContact CD1-CD2 4.17Å; I566-L623 HydrophobicContact CG2-CD2 3.94Å; I566-L623 HydrophobicContact CG2-CG 4.34Å; I566-R626 HydrophobicContact CD1-CB 3.98Å; I566-M627 HydrophobicContact CD1-CG 3.41Å; I566-M627 VanDerWaalsContact CD1-CG 3.41Å; I566-M627 HydrophobicContact CD1-SD 3.67Å
567V97.3Very high93.2Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-62.7-43.1174.8173.90000111.2I417 F563 H564 A565 E569 S571 V575 V578 L598 L619I417-V567 HydrophobicContact CD1-CB 3.64Å; I417-V567 HydrophobicContact CD1-CG1 3.36Å; F563-V567 HydrophobicContact CD2-CG2 4.05Å; F563-V567 HydrophobicContact CE1-CG2 4.25Å; F563-V567 HydrophobicContact CE2-CG2 3.7Å; F563-V567 HydrophobicContact CG-CG2 4.43Å; F563-V567 HydrophobicContact CZ-CG2 3.82Å; F563-V567 VanDerWaalsContact O-CG2 3.23Å; F563-V567 WeakPolarHBondContact O-CG2 3.46Å; F563-V567 PolarHBondContact O-N 3.03Å; H564-V567 PolarHBondContact O-N 3.46Å; A565-V567 VanDerWaalsContact C-N 3.32Å; A565-V567 PolarHBondContact O-N 3.33Å; V567-E569 VanDerWaalsContact C-N 3.34Å; V567-S571 VanDerWaalsContact O-CB 3.24Å; V567-S571 WeakPolarHBondContact O-CB 3.49Å; V567-S571 PolarHBondContact O-N 3.31Å; V567-S571 PolarHBondContact O-OG 3.36Å; V567-V575 HydrophobicContact CG1-CB 3.81Å; V567-V575 HydrophobicContact CG1-CG1 3.87Å; V567-V575 HydrophobicContact CG1-CG2 3.77Å; V567-V578 HydrophobicContact CG1-CG2 4.19Å; V567-L598 HydrophobicContact CG1-CD2 3.81Å; V567-L598 HydrophobicContact CG2-CD2 4.12Å; V567-L619 HydrophobicContact CB-CD1 4.43Å; V567-L619 HydrophobicContact CG2-CD1 3.7Å; V567-L619 HydrophobicContact CG2-CD2 3.95Å; V567-L619 HydrophobicContact CG2-CG 4.49Å
568R95.4Very high94Very high17 Ų1729.4 Ų29.46%0.06415%0.149CC..Hα-helixtrans-62.3-42.3176-70.7-176-166.9-836.5111.3E226 V415 I417 A421 H564 A565 C572 G573E226-R568 HydrophobicContact CB-CB 3.82Å; V415-R568 PolarHBondContact O-NH2 2.86Å; I417-R568 HydrophobicContact CD1-CG 3.73Å; I417-R568 HydrophobicContact CG1-CG 3.87Å; A421-R568 PolarHBondContact O-NH2 3.36Å; H564-R568 WeakPolarHBondContact O-CG 3.36Å; H564-R568 PolarHBondContact O-N 3.44Å; A565-R568 PolarHBondContact O-N 3Å; A565-R568 VanDerWaalsContact O-N 3.17Å; R568-C572 PolarHBondContact O-N 3.22Å; R568-G573 PolarHBondContact O-N 2.7Å
569E94.9Very high94.5Very high30 Ų3033.2 Ų33.214%0.1417%0.167CC..Hα-helixtrans-64.3-58.9178176.7178.1153.100112.4V205 A225 A565 I566 V567 S571 C572 L622 R626V205-E569 HydrophobicContact CB-CG 4.3Å; V205-E569 HydrophobicContact CG1-CG 4.11Å; V205-E569 HydrophobicContact CG2-CG 4.12Å; A225-E569 HydrophobicContact CB-CG 4.38Å; A225-E569 WeakPolarHBondContact CB-OE2 3.16Å; A565-E569 PolarHBondContact O-N 2.98Å; I566-E569 PolarHBondContact O-N 2.99Å; V567-E569 VanDerWaalsContact C-N 3.34Å; E569-S571 PolarHBondContact O-N 3.29Å; E569-S571 VanDerWaalsContact O-N 3.13Å; E569-C572 PolarHBondContact O-N 2.85Å; E569-C572 VanDerWaalsContact O-N 3.08Å; E569-L622 HydrophobicContact CG-CD1 4.21Å; E569-R626 IonicContact OE1-NH1 3.92Å; E569-R626 PolarHBondContact OE1-NH1 3.48Å; E569-R626 IonicContact OE2-CZ 2.95Å; E569-R626 IonicContact OE2-NH1 2.79Å; E569-R626 PolarHBondContact OE2-NH1 3.19Å; E569-R626 IonicContact OE2-NH2 3.7Å
570A96Very high95Very high7 Ų733.7 Ų33.76%0.05817%0.171CC..Hα-helixtrans-57.8-33.1-177.100000112.9I566 F615 L619 L622I566-A570 VanDerWaalsContact O-CB 3.32Å; I566-A570 WeakPolarHBondContact O-CB 3.48Å; I566-A570 PolarHBondContact O-N 3.39Å; A570-F615 VanDerWaalsContact O-CD1 3.26Å; A570-F615 WeakPolarHBondContact O-CD1 3.3Å; A570-L619 HydrophobicContact CB-CB 3.71Å; A570-L619 HydrophobicContact CB-CD1 4.25Å; A570-L622 HydrophobicContact CB-CD1 4.01Å
571S95.4Very high95.3Very high0 Ų032.5 Ų32.50%017%0.167CC..THydrogen-bonded Turntrans-95.51-176.873.50000114.5V567 E569 G573 T574 V575V567-S571 VanDerWaalsContact O-CB 3.24Å; V567-S571 WeakPolarHBondContact O-CB 3.49Å; V567-S571 PolarHBondContact O-N 3.31Å; V567-S571 PolarHBondContact O-OG 3.36Å; E569-S571 PolarHBondContact O-N 3.29Å; E569-S571 VanDerWaalsContact O-N 3.13Å; S571-G573 PolarHBondContact O-N 2.9Å; S571-T574 WeakPolarHBondContact CB-OG1 3.42Å; S571-T574 WeakPolarHBondContact O-CB 3.3Å; S571-T574 WeakPolarHBondContact O-CG2 3.42Å; S571-T574 PolarHBondContact O-N 2.96Å; S571-T574 PolarHBondContact O-OG1 2.9Å; S571-V575 PolarHBondContact OG-N 3.07Å
572C93.9Very high95.6Very high44 Ų4433.2 Ų33.230%0.29717%0.174SC..THydrogen-bonded Turntrans50.140.9-173-56.40000111.8F202 R568 E569 T574 F615F202-C572 HydrophobicContact CB-CB 4.5Å; F202-C572 HydrophobicContact CD1-CB 4.28Å; R568-C572 PolarHBondContact O-N 3.22Å; E569-C572 PolarHBondContact O-N 2.85Å; E569-C572 VanDerWaalsContact O-N 3.08Å; C572-T574 VanDerWaalsContact C-N 3.27Å; C572-T574 PolarHBondContact O-N 2.78Å; C572-F615 HydrophobicContact CB-CZ 4.33Å
573G92.7Very high95.9Very high21 Ų2132.9 Ų32.922%0.21618%0.176CC..THydrogen-bonded Turntrans71.29-178.500000116.3R513 R568 S571R513-G573 PolarHBondContact NH1-O 3.42Å; R568-G573 PolarHBondContact O-N 2.7Å; S571-G573 PolarHBondContact O-N 2.9Å
574T95.1Very high95.8Very high5 Ų537.8 Ų37.83%0.03120%0.198CC..  trans-77.4-18.9-17958.80000114.1F202 R513 S571 C572 E576 H601 F615F202-T574 HydrophobicContact CD1-CG2 4.11Å; F202-T574 HydrophobicContact CE1-CG2 3.34Å; F202-T574 HydrophobicContact CZ-CG2 4.07Å; R513-T574 PolarHBondContact NH1-O 3.07Å; S571-T574 WeakPolarHBondContact CB-OG1 3.42Å; S571-T574 WeakPolarHBondContact O-CB 3.3Å; S571-T574 WeakPolarHBondContact O-CG2 3.42Å; S571-T574 PolarHBondContact O-N 2.96Å; S571-T574 PolarHBondContact O-OG1 2.9Å; C572-T574 VanDerWaalsContact C-N 3.27Å; C572-T574 PolarHBondContact O-N 2.78Å; T574-E576 PolarHBondContact O-N 3.06Å; T574-H601 PolarHBondContact O-N 3.48Å; T574-F615 HydrophobicContact CG2-CE2 4.1Å
575V97.1Very high95.5Very high4 Ų440.9 Ų40.92%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-72.4114.6173.2178.70000109.5I417 V567 S571 Q577 V578 L598 I599 Y600I417-V575 HydrophobicContact CD1-CG1 4.43Å; I417-V575 HydrophobicContact CG2-CG1 4.14Å; I417-V575 WeakPolarHBondContact CG2-O 3.43Å; V567-V575 HydrophobicContact CG1-CB 3.81Å; V567-V575 HydrophobicContact CG1-CG1 3.87Å; V567-V575 HydrophobicContact CG1-CG2 3.77Å; S571-V575 PolarHBondContact OG-N 3.07Å; V575-Q577 WeakPolarHBondContact CG1-O 3.38Å; V575-V578 HydrophobicContact CG1-CG2 3.69Å; V575-L598 HydrophobicContact CG1-CB 4.22Å; V575-L598 HydrophobicContact CG1-CG 4.3Å; V575-L598 HydrophobicContact CG2-CD2 4.23Å; V575-I599 CarbonylContact C-O 3.57Å; V575-I599 WeakPolarHBondContact CA-O 3.23Å; V575-Y600 HydrophobicContact CG2-CD1 3.67Å; V575-Y600 HydrophobicContact CG2-CD2 4.08Å; V575-Y600 HydrophobicContact CG2-CE1 3.43Å; V575-Y600 VanDerWaalsContact CG2-CE1 3.43Å; V575-Y600 HydrophobicContact CG2-CE2 3.82Å; V575-Y600 HydrophobicContact CG2-CG 3.98Å; V575-Y600 VanDerWaalsContact CG2-CZ 3.48Å
576E95.3Very high95.1Very high30 Ų3043.4 Ų43.414%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-84.1-36.5-179.8179.4175.9-98.200112.1S418 L419 R513 T574 I599 H601S418-E576 CarbonylContact C-O 3.59Å; L419-E576 VanDerWaalsContact CD2-CD 3.4Å; L419-E576 HydrophobicContact CD2-CG 3.35Å; L419-E576 HydrophobicContact CG-CG 3.87Å; L419-E576 PolarHBondContact N-O 3.03Å; R513-E576 IonicContact NH2-OE1 2.98Å; R513-E576 PolarHBondContact NH2-OE1 3.39Å; T574-E576 PolarHBondContact O-N 3.06Å; E576-I599 PolarHBondContact N-O 2.86Å; E576-H601 HydrophobicContact CB-CB 4.25Å; E576-H601 IonicContact OE1-CD2 3.12Å; E576-H601 PolarHBondContact OE1-CD2 3.01Å
577Q96.3Very high94.5Very high78 Ų7848.4 Ų48.436%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-143.7138.4-174.9-174.1178.3-3.600110.8V575 L598 I599V575-Q577 WeakPolarHBondContact CG1-O 3.38Å; Q577-L598 WeakPolarHBondContact O-CA 3.46Å; Q577-I599 HydrophobicContact CB-CB 4.2Å; Q577-I599 HydrophobicContact CB-CG1 4.24Å; Q577-I599 PolarHBondContact O-N 3.22Å
578V97.8Very high93.9Very high18 Ų1855.2 Ų55.211%0.10930%0.3CS..EExtended strand (participates in β ladder)trans-121.4129.2169.2175.80000108.3I417 F563 V567 V575 Y596 R597 L598I417-V578 HydrophobicContact CB-CB 4.26Å; I417-V578 HydrophobicContact CB-CG2 3.73Å; I417-V578 HydrophobicContact CD1-CG2 3.81Å; I417-V578 HydrophobicContact CG1-CG2 4.33Å; I417-V578 HydrophobicContact CG2-CG2 4.03Å; I417-V578 PolarHBondContact O-N 3.46Å; F563-V578 HydrophobicContact CE1-CG1 3.73Å; F563-V578 HydrophobicContact CZ-CG1 4.44Å; V567-V578 HydrophobicContact CG1-CG2 4.19Å; V575-V578 HydrophobicContact CG1-CG2 3.69Å; V578-Y596 HydrophobicContact CG1-CD1 3.67Å; V578-Y596 HydrophobicContact CG1-CE1 4.36Å; V578-Y596 HydrophobicContact CG1-CG 4.31Å; V578-R597 WeakPolarHBondContact CA-O 3.46Å; V578-L598 HydrophobicContact CG2-CG 4.18Å
579K97Very high93.1Very high122 Ų12258.6 Ų58.653%0.5332%0.319SS..EExtended strand (participates in β ladder)trans-129.4122.1179.6-176.3178.9-179.1179.70110.3I581 Y596 R597K579-I581 HydrophobicContact CD-CG2 4.32Å; K579-I581 HydrophobicContact CG-CG2 4.18Å; K579-I581 PolarHBondContact O-N 2.73Å; K579-Y596 CarbonylContact O-C 3.55Å; K579-Y596 WeakPolarHBondContact O-CA 3.32Å; K579-R597 PolarHBondContact N-O 3.46Å; K579-R597 PolarHBondContact O-N 3.01Å
580L97.1Very high92.6Very high75 Ų7562.1 Ų62.139%0.39335%0.347SS..EExtended strand (participates in β ladder)trans-65.2121.1166.7-178.463.2000109D582 Y594 Y596L580-D582 WeakPolarHBondContact CD1-O 3.41Å; L580-Y594 HydrophobicContact CD1-CD1 3.89Å; L580-Y596 HydrophobicContact CB-CD1 4.01Å; L580-Y596 HydrophobicContact CB-CE1 3.76Å; L580-Y596 HydrophobicContact CD1-CD1 4.2Å; L580-Y596 HydrophobicContact CD1-CD2 4.44Å; L580-Y596 HydrophobicContact CD1-CE1 3.87Å; L580-Y596 HydrophobicContact CD1-CE2 4.11Å; L580-Y596 HydrophobicContact CD1-CG 4.49Å; L580-Y596 HydrophobicContact CG-CE1 4.36Å
581I97.3Very high92.3Very high64 Ų6465.6 Ų65.633%0.32836%0.361SS..EExtended strand (participates in β ladder)trans-112.4-24.3-177.357165.6000113.4D549 K579 C595 R597D549-I581 HydrophobicContact CB-CD1 4.47Å; K579-I581 HydrophobicContact CD-CG2 4.32Å; K579-I581 HydrophobicContact CG-CG2 4.18Å; K579-I581 PolarHBondContact O-N 2.73Å; I581-C595 VanDerWaalsContact CD1-SG 3.52Å; I581-C595 HydrophobicContact CG1-CB 4.02Å; I581-C595 WeakPolarHBondContact CG1-O 3.23Å; I581-C595 PolarHBondContact N-O 2.79Å; I581-R597 HydrophobicContact CD1-CB 4.31Å; I581-R597 HydrophobicContact CG2-CB 3.85Å
582D96.7Very high92.2Very high90 Ų9066.9 Ų66.948%0.48137%0.37SS..EExtended strand (participates in β ladder)trans-152.6151.1175.6-171.943.5000111.7L580 C595L580-D582 WeakPolarHBondContact CD1-O 3.41Å; D582-C595 HydrophobicContact CB-CB 3.89Å; D582-C595 PolarHBondContact N-O 3.36Å; D582-C595 PolarHBondContact O-N 3.07Å
583T95.8Very high92.2Very high66 Ų6665 Ų6541%0.40536%0.357SS..EExtended strand (participates in β ladder)trans-142.7128.6174.2-55.70000109.2T592 S593 Y594T583-T592 HydrophobicContact CG2-CG2 3.61Å; T583-S593 WeakPolarHBondContact CA-O 3.35Å; T583-Y594 HydrophobicContact CG2-CD1 4.01Å; T583-Y594 HydrophobicContact CG2-CE1 3.79Å
584F93.7Very high92.4Very high103 Ų10366.6 Ų66.645%0.45236%0.357SS..EExtended strand (participates in β ladder)trans-135.5120.2179.5175.5-96000110.8W553 H586 T592 S593W553-F584 AromaticContact CH2-CD1 3.59Å; W553-F584 HydrophobicContact CH2-CD1 3.59Å; W553-F584 AromaticContact CH2-CE1 3.79Å; W553-F584 HydrophobicContact CH2-CE1 3.79Å; W553-F584 HydrophobicContact CZ3-CD1 4.09Å; W553-F584 HydrophobicContact CZ3-CE1 4.44Å; F584-H586 HydrophobicContact CE1-CB 4.4Å; F584-T592 CarbonylContact O-C 3.57Å; F584-T592 WeakPolarHBondContact O-CA 3.38Å; F584-S593 PolarHBondContact N-O 3.44Å; F584-S593 PolarHBondContact O-N 3.07Å
585S91.3Very high92.5Very high74 Ų7467 Ų6752%0.51736%0.36SS..EExtended strand (participates in β ladder)trans-95.6127.1172.9-62.70000110T592S585-T592 PolarHBondContact OG-OG1 2.91Å
586H86.2Confident92.6Very high63 Ų6367 Ų6729%0.29236%0.359SS..  trans-69.6134177-169.2-74.3000109.6W553 F584 D588 L589 Q591W553-H586 HydrophobicContact CH2-CB 4.29Å; W553-H586 HydrophobicContact CZ3-CB 3.99Å; F584-H586 HydrophobicContact CE1-CB 4.4Å; H586-D588 VanDerWaalsContact C-N 3.35Å; H586-D588 PolarHBondContact ND1-N 3.27Å; H586-D588 VanDerWaalsContact ND1-N 3.15Å; H586-D588 PolarHBondContact O-N 2.88Å; H586-L589 HydrophobicContact CB-CB 3.96Å; H586-L589 PolarHBondContact ND1-N 3.2Å; H586-L589 VanDerWaalsContact ND1-N 3.1Å; H586-Q591 PolarHBondContact N-O 2.8Å
587P83.1Confident92.7Very high105 Ų10570.3 Ų70.368%0.68237%0.37SS*.SBendtrans-65-36.8-174.221.8-32000113.3
588D83.6Confident92.8Very high144 Ų14466.6 Ų66.677%0.7735%0.353SS*.SBendtrans-108.2-9.5-173.7-52.3-50.4000114.4H586H586-D588 VanDerWaalsContact C-N 3.35Å; H586-D588 PolarHBondContact ND1-N 3.27Å; H586-D588 VanDerWaalsContact ND1-N 3.15Å; H586-D588 PolarHBondContact O-N 2.88Å
589L79.9Confident92.9Very high88 Ų8867.3 Ų67.346%0.46136%0.356SS..SBendtrans-115130.2179.4-61.3172.3000105.4H586 Q591H586-L589 HydrophobicContact CB-CB 3.96Å; H586-L589 PolarHBondContact ND1-N 3.2Å; H586-L589 VanDerWaalsContact ND1-N 3.1Å; L589-Q591 HydrophobicContact CB-CB 4.38Å; L589-Q591 HydrophobicContact CB-CG 4.3Å; L589-Q591 PolarHBondContact O-N 2.76Å
590S84.1Confident92.9Very high104 Ų10461.5 Ų61.573%0.72733%0.331SS*.SBendtrans-71.552.3175.662.30000111.2
591Q89.3Confident92.9Very high79 Ų7959 Ų5937%0.36932%0.317SS..  trans-128.9135.8-176.1-64.3-174.413.900109.5W553 T554 H586 L589W553-Q591 HydrophobicContact CE3-CB 3.86Å; W553-Q591 HydrophobicContact CZ3-CB 4.37Å; T554-Q591 VanDerWaalsContact O-CA 3.23Å; T554-Q591 WeakPolarHBondContact O-CA 3.4Å; H586-Q591 PolarHBondContact N-O 2.8Å; L589-Q591 HydrophobicContact CB-CB 4.38Å; L589-Q591 HydrophobicContact CB-CG 4.3Å; L589-Q591 PolarHBondContact O-N 2.76Å
592T93.1Very high92.8Very high28 Ų2856.3 Ų56.317%0.17230%0.304CS..EExtended strand (participates in β ladder)trans-117.8126.2175.2-61.10000108.8T554 T583 F584 S585 Y594T554-T592 PolarHBondContact N-O 3.38Å; T554-T592 PolarHBondContact O-N 3.47Å; T554-T592 VanDerWaalsContact O-N 3.12Å; T554-T592 PolarHBondContact OG1-O 2.97Å; T583-T592 HydrophobicContact CG2-CG2 3.61Å; F584-T592 CarbonylContact O-C 3.57Å; F584-T592 WeakPolarHBondContact O-CA 3.38Å; S585-T592 PolarHBondContact OG-OG1 2.91Å; T592-Y594 HydrophobicContact CG2-CD2 4.18Å; T592-Y594 HydrophobicContact CG2-CE1 4.2Å; T592-Y594 HydrophobicContact CG2-CE2 3.62Å
593S94.9Very high92.6Very high4 Ų453.7 Ų53.73%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-86.3129.3170.6177.80000109F552 T583 F584F552-S593 WeakPolarHBondContact O-CA 3.26Å; T583-S593 WeakPolarHBondContact CA-O 3.35Å; F584-S593 PolarHBondContact N-O 3.44Å; F584-S593 PolarHBondContact O-N 3.07Å
594Y96.2Very high92.3Very high55 Ų5551.2 Ų51.222%0.21627%0.274CS..EExtended strand (participates in β ladder)trans-112.3144.2170.5-64.8-88.2000109.5S551 F552 T554 L580 T583 T592 Y596S551-Y594 VanDerWaalsContact CA-O 3.27Å; S551-Y594 WeakPolarHBondContact CA-O 3.18Å; F552-Y594 HydrophobicContact CE2-CD2 4.49Å; F552-Y594 PolarHBondContact N-O 3.31Å; F552-Y594 PolarHBondContact O-N 2.89Å; T554-Y594 HydrophobicContact CG2-CD2 3.68Å; T554-Y594 HydrophobicContact CG2-CE2 4Å; T554-Y594 VanDerWaalsContact OG1-CE2 3.24Å; T554-Y594 WeakPolarHBondContact OG1-CE2 3.39Å; L580-Y594 HydrophobicContact CD1-CD1 3.89Å; T583-Y594 HydrophobicContact CG2-CD1 4.01Å; T583-Y594 HydrophobicContact CG2-CE1 3.79Å; T592-Y594 HydrophobicContact CG2-CD2 4.18Å; T592-Y594 HydrophobicContact CG2-CE1 4.2Å; T592-Y594 HydrophobicContact CG2-CE2 3.62Å; Y594-Y596 HydrophobicContact CD1-CE2 4.48Å; Y594-Y596 HydrophobicContact CG-CE2 4.22Å
595C97.7Very high92.3Very high14 Ų1447.6 Ų47.610%0.09526%0.258CS..EExtended strand (participates in β ladder)trans-125.1120.8171-173.10000109.7I550 S551 I581 D582I550-C595 CarbonylContact O-C 3.51Å; I550-C595 WeakPolarHBondContact O-CA 3.39Å; S551-C595 WeakPolarHBondContact OG-CB 3.44Å; S551-C595 PolarHBondContact OG-SG 3.23Å; I581-C595 VanDerWaalsContact CD1-SG 3.52Å; I581-C595 HydrophobicContact CG1-CB 4.02Å; I581-C595 WeakPolarHBondContact CG1-O 3.23Å; I581-C595 PolarHBondContact N-O 2.79Å; D582-C595 HydrophobicContact CB-CB 3.89Å; D582-C595 PolarHBondContact N-O 3.36Å; D582-C595 PolarHBondContact O-N 3.07Å
596Y98.2Very high92.5Very high2 Ų244.2 Ų44.21%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-114.9139.3179.7-69.1-90.2000110.9D549 I550 F552 E560 F563 V578 K579 L580 Y594D549-Y596 CarbonylContact C-O 3.55Å; D549-Y596 VanDerWaalsContact CA-O 3.29Å; D549-Y596 WeakPolarHBondContact CA-O 3.44Å; I550-Y596 PolarHBondContact N-O 3.41Å; I550-Y596 PolarHBondContact O-N 2.86Å; F552-Y596 AromaticContact CE1-CD2 3.99Å; F552-Y596 HydrophobicContact CE1-CD2 3.99Å; F552-Y596 HydrophobicContact CE1-CE2 4.32Å; F552-Y596 AromaticContact CZ-CD2 3.89Å; F552-Y596 HydrophobicContact CZ-CD2 3.89Å; F552-Y596 AromaticContact CZ-CE2 3.75Å; F552-Y596 HydrophobicContact CZ-CE2 3.75Å; E560-Y596 VanDerWaalsContact CD-OH 3.29Å; E560-Y596 WeakPolarHBondContact OE1-CE1 3.26Å; E560-Y596 PolarHBondContact OE1-OH 2.97Å; F563-Y596 HydrophobicContact CD1-CD2 4.44Å; F563-Y596 HydrophobicContact CD1-CE1 4.41Å; F563-Y596 HydrophobicContact CD1-CE2 4.24Å; F563-Y596 AromaticContact CE1-CD1 3.74Å; F563-Y596 HydrophobicContact CE1-CD1 3.74Å; F563-Y596 AromaticContact CE1-CD2 3.66Å; F563-Y596 HydrophobicContact CE1-CD2 3.66Å; F563-Y596 AromaticContact CE1-CE1 3.96Å; F563-Y596 HydrophobicContact CE1-CE1 3.96Å; F563-Y596 AromaticContact CE1-CE2 3.89Å; F563-Y596 HydrophobicContact CE1-CE2 3.89Å; F563-Y596 AromaticContact CE1-CG 3.57Å; F563-Y596 HydrophobicContact CE1-CG 3.57Å; F563-Y596 HydrophobicContact CE2-CD2 4.49Å; F563-Y596 HydrophobicContact CZ-CD1 4.36Å; F563-Y596 AromaticContact CZ-CD2 3.71Å; F563-Y596 HydrophobicContact CZ-CD2 3.71Å; F563-Y596 HydrophobicContact CZ-CE2 4.28Å; F563-Y596 AromaticContact CZ-CG 3.74Å; F563-Y596 HydrophobicContact CZ-CG 3.74Å; V578-Y596 HydrophobicContact CG1-CD1 3.67Å; V578-Y596 HydrophobicContact CG1-CE1 4.36Å; V578-Y596 HydrophobicContact CG1-CG 4.31Å; K579-Y596 CarbonylContact O-C 3.55Å; K579-Y596 WeakPolarHBondContact O-CA 3.32Å; L580-Y596 HydrophobicContact CB-CD1 4.01Å; L580-Y596 HydrophobicContact CB-CE1 3.76Å; L580-Y596 HydrophobicContact CD1-CD1 4.2Å; L580-Y596 HydrophobicContact CD1-CD2 4.44Å; L580-Y596 HydrophobicContact CD1-CE1 3.87Å; L580-Y596 HydrophobicContact CD1-CE2 4.11Å; L580-Y596 HydrophobicContact CD1-CG 4.49Å; L580-Y596 HydrophobicContact CG-CE1 4.36Å; Y594-Y596 HydrophobicContact CD1-CE2 4.48Å; Y594-Y596 HydrophobicContact CG-CE2 4.22Å
597R98.4Very high93Very high100 Ų10041.8 Ų41.838%0.37722%0.224SC..EExtended strand (participates in β ladder)trans-96.9125166.8179.5160.5-66.2157.97.9110.1S547 D549 V578 K579 I581 I599S547-R597 WeakPolarHBondContact OG-CD 3.17Å; S547-R597 WeakPolarHBondContact OG-CG 3.47Å; D549-R597 VanDerWaalsContact OD1-CB 3.31Å; D549-R597 WeakPolarHBondContact OD1-CB 3.42Å; D549-R597 VanDerWaalsContact OD1-CG 3.31Å; D549-R597 WeakPolarHBondContact OD1-CG 3.26Å; D549-R597 IonicContact OD1-CZ 2.65Å; D549-R597 IonicContact OD1-NE 2.66Å; D549-R597 PolarHBondContact OD1-NE 3.39Å; D549-R597 IonicContact OD1-NH2 3.94Å; D549-R597 PolarHBondContact OD1-NH2 3.22Å; D549-R597 IonicContact OD2-CZ 3.26Å; D549-R597 IonicContact OD2-NE 3Å; D549-R597 IonicContact OD2-NH2 3.28Å; D549-R597 PolarHBondContact OD2-NH2 2.74Å; V578-R597 WeakPolarHBondContact CA-O 3.46Å; K579-R597 PolarHBondContact N-O 3.46Å; K579-R597 PolarHBondContact O-N 3.01Å; I581-R597 HydrophobicContact CD1-CB 4.31Å; I581-R597 HydrophobicContact CG2-CB 3.85Å; R597-I599 HydrophobicContact CG-CD1 4.17Å
598L98.5Very high93.7Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-110.4129.3179.6-74.767.1000109.4S547 F548 I550 F563 V567 V575 Q577 V578 Y600 L619S547-L598 WeakPolarHBondContact CA-O 3.45Å; F548-L598 PolarHBondContact N-O 2.74Å; F548-L598 PolarHBondContact O-N 3.01Å; I550-L598 HydrophobicContact CG2-CD1 3.66Å; F563-L598 HydrophobicContact CZ-CD1 4.39Å; V567-L598 HydrophobicContact CG1-CD2 3.81Å; V567-L598 HydrophobicContact CG2-CD2 4.12Å; V575-L598 HydrophobicContact CG1-CB 4.22Å; V575-L598 HydrophobicContact CG1-CG 4.3Å; V575-L598 HydrophobicContact CG2-CD2 4.23Å; Q577-L598 WeakPolarHBondContact O-CA 3.46Å; V578-L598 HydrophobicContact CG2-CG 4.18Å; L598-Y600 HydrophobicContact CB-CD2 4.24Å; L598-Y600 HydrophobicContact CB-CE2 3.59Å; L598-Y600 HydrophobicContact CD2-CE2 4.15Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.47Å; L598-L619 HydrophobicContact CD2-CD2 3.4Å; L598-L619 VanDerWaalsContact CD2-CD2 3.4Å
599I98.1Very high94.3Very high34 Ų3434.7 Ų34.717%0.17418%0.177CC..EExtended strand (participates in β ladder)trans-104.8112.6174.1-52.8-57.8000108.9F546 V575 E576 Q577 R597F546-I599 CarbonylContact O-C 3.59Å; F546-I599 WeakPolarHBondContact O-CA 3.45Å; V575-I599 CarbonylContact C-O 3.57Å; V575-I599 WeakPolarHBondContact CA-O 3.23Å; E576-I599 PolarHBondContact N-O 2.86Å; Q577-I599 HydrophobicContact CB-CB 4.2Å; Q577-I599 HydrophobicContact CB-CG1 4.24Å; Q577-I599 PolarHBondContact O-N 3.22Å; R597-I599 HydrophobicContact CG-CD1 4.17Å
600Y98.1Very high95.1Very high0 Ų033.6 Ų33.60%017%0.174CC..EExtended strand (participates in β ladder)trans-92125.5176.8-66.1-109.4000109.2S545 F546 F548 V575 L598 A612 F615 H616S545-Y600 CarbonylContact C-O 3.49Å; S545-Y600 VanDerWaalsContact CA-O 3.28Å; S545-Y600 WeakPolarHBondContact CA-O 3.4Å; F546-Y600 PolarHBondContact N-O 3.16Å; F546-Y600 PolarHBondContact O-N 3.18Å; F548-Y600 HydrophobicContact CB-CE2 4.37Å; F548-Y600 AromaticContact CD2-CD2 3.7Å; F548-Y600 HydrophobicContact CD2-CD2 3.7Å; F548-Y600 AromaticContact CD2-CE2 3.67Å; F548-Y600 HydrophobicContact CD2-CE2 3.67Å; F548-Y600 HydrophobicContact CE2-CD2 4.32Å; V575-Y600 HydrophobicContact CG2-CD1 3.67Å; V575-Y600 HydrophobicContact CG2-CD2 4.08Å; V575-Y600 HydrophobicContact CG2-CE1 3.43Å; V575-Y600 VanDerWaalsContact CG2-CE1 3.43Å; V575-Y600 HydrophobicContact CG2-CE2 3.82Å; V575-Y600 HydrophobicContact CG2-CG 3.98Å; V575-Y600 VanDerWaalsContact CG2-CZ 3.48Å; L598-Y600 HydrophobicContact CB-CD2 4.24Å; L598-Y600 HydrophobicContact CB-CE2 3.59Å; L598-Y600 HydrophobicContact CD2-CE2 4.15Å; L598-Y600 WeakPolarHBondContact CD2-OH 3.47Å; Y600-A612 HydrophobicContact CD1-CB 4.39Å; Y600-A612 HydrophobicContact CG-CB 4.34Å; Y600-F615 HydrophobicContact CE1-CB 3.89Å; Y600-H616 AromaticContact CE2-ND1 3.84Å; Y600-H616 AromaticContact CZ-ND1 3.78Å; Y600-H616 PolarHBondContact OH-ND1 3.39Å; Y600-H616 VanDerWaalsContact OH-ND1 3.11Å
601H96.4Very high95.7Very high21 Ų2130.7 Ų30.710%0.09715%0.149CC..EExtended strand (participates in β ladder)trans-152.9142.1-179.3-167.154.4000111.2R513 P543 E544 T574 E576 H603R513-H601 PolarHBondContact NH1-O 3.01Å; P543-H601 VanDerWaalsContact CG-CE1 3.49Å; P543-H601 WeakPolarHBondContact CG-CE1 3.46Å; P543-H601 PolarHBondContact O-CE1 3.07Å; P543-H601 VanDerWaalsContact O-CE1 3.32Å; E544-H601 PolarHBondContact O-ND1 3.25Å; T574-H601 PolarHBondContact O-N 3.48Å; E576-H601 HydrophobicContact CB-CB 4.25Å; E576-H601 IonicContact OE1-CD2 3.12Å; E576-H601 PolarHBondContact OE1-CD2 3.01Å; H601-H603 AromaticContact CD2-CD2 3.98Å; H601-H603 AromaticContact CD2-CE1 3.76Å; H601-H603 AromaticContact CD2-NE2 3.39Å; H601-H603 PolarHBondContact CD2-NE2 3.3Å; H601-H603 AromaticContact NE2-CE1 3.23Å; H601-H603 PolarHBondContact NE2-CE1 3.38Å; H601-H603 AromaticContact NE2-ND1 3.9Å; H601-H603 AromaticContact NE2-NE2 3.38Å; H601-H603 PolarHBondContact NE2-NE2 3.23Å
602S94.7Very high96.1Very high8 Ų826.9 Ų26.96%0.05613%0.131CC..  trans-140127.1176.6-169.20000111.9P543 T604 H605P543-S602 WeakPolarHBondContact CB-O 3.05Å; S602-T604 PolarHBondContact OG-N 2.88Å; S602-T604 PolarHBondContact OG-OG1 3.38Å; S602-H605 PolarHBondContact OG-N 3.02Å
603H92.7Very high96.3Very high36 Ų3628.2 Ų28.217%0.16714%0.137CC..SBendtrans-88.1-10.8172.6-67-75.6000113.4D511 L514 S540 H601D511-H603 WeakPolarHBondContact CB-CD2 3.49Å; D511-H603 IonicContact OD2-CD2 3.81Å; L514-H603 HydrophobicContact CD1-CB 4.14Å; L514-H603 HydrophobicContact CD2-CB 3.98Å; L514-H603 HydrophobicContact CG-CB 4Å; S540-H603 VanDerWaalsContact CB-O 3.22Å; S540-H603 WeakPolarHBondContact CB-O 3.42Å; H601-H603 AromaticContact CD2-CD2 3.98Å; H601-H603 AromaticContact CD2-CE1 3.76Å; H601-H603 AromaticContact CD2-NE2 3.39Å; H601-H603 PolarHBondContact CD2-NE2 3.3Å; H601-H603 AromaticContact NE2-CE1 3.23Å; H601-H603 PolarHBondContact NE2-CE1 3.38Å; H601-H603 AromaticContact NE2-ND1 3.9Å; H601-H603 AromaticContact NE2-NE2 3.38Å; H601-H603 PolarHBondContact NE2-NE2 3.23Å
604T89.8Confident96.5Very high14 Ų1431.7 Ų31.79%0.08616%0.158CC..SBendtrans-115.7-34.1-168.648.70000112.4L514 S517 F539 S602L514-T604 HydrophobicContact CD2-CG2 3.49Å; L514-T604 VanDerWaalsContact CD2-CG2 3.49Å; L514-T604 HydrophobicContact CG-CG2 4.31Å; S517-T604 VanDerWaalsContact OG-CG2 3.23Å; S517-T604 WeakPolarHBondContact OG-CG2 3.17Å; F539-T604 HydrophobicContact CZ-CG2 4.19Å; S602-T604 PolarHBondContact OG-N 2.88Å; S602-T604 PolarHBondContact OG-OG1 3.38Å
605H93.9Very high96.6Very high26 Ų2629.8 Ų29.812%0.1215%0.151CC..SBendtrans-113.3153.3-175.9-59.974.1000111.1A200 P201 F202 S602 L607A200-H605 PolarHBondContact O-CD2 2.75Å; P201-H605 PolarHBondContact O-CD2 3.12Å; P201-H605 PolarHBondContact O-NE2 3.03Å; F202-H605 HydrophobicContact CD1-CB 4.1Å; F202-H605 AromaticContact CD1-CD2 3.72Å; F202-H605 AromaticContact CD1-CG 3.79Å; F202-H605 HydrophobicContact CE1-CB 3.38Å; F202-H605 AromaticContact CE1-CD2 3.94Å; F202-H605 AromaticContact CE1-CG 3.53Å; F202-H605 HydrophobicContact CE2-CB 3.92Å; F202-H605 AromaticContact CG-CD2 3.97Å; F202-H605 HydrophobicContact CZ-CB 3.29Å; F202-H605 AromaticContact CZ-CG 3.94Å; S602-H605 PolarHBondContact OG-N 3.02Å; H605-L607 PolarHBondContact O-N 3.11Å; H605-L607 VanDerWaalsContact O-N 3.1Å
606A95.8Very high96.6Very high3 Ų329.5 Ų29.53%0.02515%0.148CC..  trans-71.2103.8167.900000109.1A154 L158 I159 S199A154-A606 HydrophobicContact CB-CB 4.38Å; L158-A606 WeakPolarHBondContact O-CB 3.18Å; I159-A606 HydrophobicContact CG2-CB 3.89Å; S199-A606 VanDerWaalsContact CB-N 3.26Å; S199-A606 WeakPolarHBondContact OG-CB 3.29Å; S199-A606 PolarHBondContact OG-N 3.04Å
607L97.1Very high96.5Very high13 Ų1334.9 Ų34.97%0.06817%0.172CC..  trans-98.8107.4175.6-174.766.9000109.4F202 F546 H605 Q611 A612 F615F202-L607 HydrophobicContact CZ-CD1 4.16Å; F546-L607 HydrophobicContact CD2-CD2 3.89Å; F546-L607 HydrophobicContact CD2-CG 4.04Å; F546-L607 HydrophobicContact CE2-CB 4.49Å; F546-L607 HydrophobicContact CE2-CD2 4.14Å; F546-L607 HydrophobicContact CE2-CG 3.91Å; F546-L607 VanDerWaalsContact CE2-O 3.32Å; F546-L607 WeakPolarHBondContact CE2-O 3.19Å; H605-L607 PolarHBondContact O-N 3.11Å; H605-L607 VanDerWaalsContact O-N 3.1Å; L607-Q611 HydrophobicContact CD1-CB 4.33Å; L607-Q611 HydrophobicContact CD1-CG 4.16Å; L607-A612 HydrophobicContact CD1-CB 3.99Å; L607-A612 HydrophobicContact CG-CB 4.27Å; L607-F615 HydrophobicContact CD1-CD2 4.35Å; L607-F615 HydrophobicContact CD1-CE2 4.15Å
608S96.9Very high96.5Very high5 Ų534.6 Ų34.64%0.03518%0.175CC..  trans-89.8162.5171.185.30000111.2E155 T610 Q611 A612E155-S608 VanDerWaalsContact OE2-CB 3.29Å; E155-S608 WeakPolarHBondContact OE2-CB 3.12Å; E155-S608 PolarHBondContact OE2-OG 3.39Å; S608-T610 PolarHBondContact O-N 3.31Å; S608-T610 PolarHBondContact OG-N 3.05Å; S608-Q611 PolarHBondContact O-N 2.72Å; S608-Q611 PolarHBondContact OG-N 3.11Å; S608-A612 WeakPolarHBondContact O-CB 3.25Å; S608-A612 PolarHBondContact O-N 2.99Å
609H95.9Very high96.4Very high94 Ų9434.6 Ų34.644%0.43518%0.175SC..Hα-helixtrans-57.2-40.6171.4179.5-74.8000111.2F546 A612 L613F546-H609 HydrophobicContact CD1-CB 4.07Å; F546-H609 AromaticContact CD1-CD2 3.96Å; F546-H609 HydrophobicContact CE1-CB 3.66Å; F546-H609 HydrophobicContact CZ-CB 4.23Å; H609-A612 PolarHBondContact O-N 3.4Å; H609-L613 VanDerWaalsContact O-CB 3.29Å; H609-L613 WeakPolarHBondContact O-CB 3.29Å; H609-L613 PolarHBondContact O-N 3.12Å
610T96.9Very high96.3Very high66 Ų6636.4 Ų36.441%0.40518%0.183SC..Hα-helixtrans-63-42.5178.5-54.60000111.2E155 S608 T614E155-T610 PolarHBondContact OE1-OG1 3.23Å; E155-T610 VanDerWaalsContact OE2-CB 3.23Å; E155-T610 WeakPolarHBondContact OE2-CB 3.47Å; E155-T610 PolarHBondContact OE2-OG1 3.13Å; S608-T610 PolarHBondContact O-N 3.31Å; S608-T610 PolarHBondContact OG-N 3.05Å; T610-T614 PolarHBondContact O-N 3.33Å; T610-T614 PolarHBondContact O-OG1 2.98Å
611Q97.1Very high96.2Very high42 Ų4240.5 Ų40.520%0.19621%0.207CC..Hα-helixtrans-66.7-46.7177-174.561.653.600111.7F202 L607 S608 L613 T614 F615F202-Q611 HydrophobicContact CD2-CG 4.38Å; F202-Q611 HydrophobicContact CE2-CG 3.85Å; L607-Q611 HydrophobicContact CD1-CB 4.33Å; L607-Q611 HydrophobicContact CD1-CG 4.16Å; S608-Q611 PolarHBondContact O-N 2.72Å; S608-Q611 PolarHBondContact OG-N 3.11Å; Q611-L613 VanDerWaalsContact C-N 3.31Å; Q611-L613 PolarHBondContact O-N 3.32Å; Q611-T614 WeakPolarHBondContact O-CA 3.4Å; Q611-T614 WeakPolarHBondContact O-CB 3.33Å; Q611-T614 PolarHBondContact O-N 3.05Å; Q611-F615 HydrophobicContact CG-CE2 3.77Å; Q611-F615 HydrophobicContact CG-CZ 3.99Å; Q611-F615 PolarHBondContact O-N 3.31Å; Q611-F615 HydrophobicContact CG-CD2 4.32Å
612A97.9Very high96.2Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-61.8-39.5178.500000111.8F546 F548 Y600 L607 S608 H609 T614 F615 H616F546-A612 HydrophobicContact CB-CB 4.13Å; F546-A612 HydrophobicContact CD2-CB 3.8Å; F546-A612 HydrophobicContact CG-CB 4.07Å; F548-A612 HydrophobicContact CE2-CB 3.74Å; F548-A612 HydrophobicContact CZ-CB 4.4Å; Y600-A612 HydrophobicContact CD1-CB 4.39Å; Y600-A612 HydrophobicContact CG-CB 4.34Å; L607-A612 HydrophobicContact CD1-CB 3.99Å; L607-A612 HydrophobicContact CG-CB 4.27Å; S608-A612 WeakPolarHBondContact O-CB 3.25Å; S608-A612 PolarHBondContact O-N 2.99Å; H609-A612 PolarHBondContact O-N 3.4Å; A612-T614 VanDerWaalsContact C-N 3.32Å; A612-T614 PolarHBondContact O-N 3.48Å; A612-F615 PolarHBondContact O-N 3.05Å; A612-H616 PolarHBondContact O-N 2.95Å
613L98.1Very high96.2Very high56 Ų5640.1 Ų40.129%0.29321%0.205SC..Hα-helixtrans-65.6-34.7173.1-179.462.5000112.4F548 H609 Q611 H616 K617F548-L613 HydrophobicContact CE1-CD1 4.45Å; F548-L613 HydrophobicContact CZ-CB 4.24Å; H609-L613 VanDerWaalsContact O-CB 3.29Å; H609-L613 WeakPolarHBondContact O-CB 3.29Å; H609-L613 PolarHBondContact O-N 3.12Å; Q611-L613 VanDerWaalsContact C-N 3.31Å; Q611-L613 PolarHBondContact O-N 3.32Å; L613-H616 PolarHBondContact O-N 3.29Å; L613-K617 WeakPolarHBondContact O-CG 3.31Å; L613-K617 PolarHBondContact O-N 3.2Å
614T97.6Very high96.2Very high76 Ų7641 Ų4147%0.46622%0.215SC..Hα-helixtrans-64.5-46.7176-59.20000110.5T610 Q611 A612 H616 K617 E618T610-T614 PolarHBondContact O-N 3.33Å; T610-T614 PolarHBondContact O-OG1 2.98Å; Q611-T614 WeakPolarHBondContact O-CA 3.4Å; Q611-T614 WeakPolarHBondContact O-CB 3.33Å; Q611-T614 PolarHBondContact O-N 3.05Å; A612-T614 VanDerWaalsContact C-N 3.32Å; A612-T614 PolarHBondContact O-N 3.48Å; T614-H616 VanDerWaalsContact C-N 3.3Å; T614-H616 PolarHBondContact O-N 3.43Å; T614-K617 PolarHBondContact O-N 3.03Å; T614-E618 PolarHBondContact O-N 3.42Å
615F97.8Very high96.3Very high15 Ų1543.9 Ų43.97%0.06624%0.236CC..Hα-helixtrans-59.6-40172.4-66.9-32.9000112.7F202 A570 C572 T574 Y600 L607 Q611 A612 K617 E618 L619F202-F615 HydrophobicContact CB-CZ 4.35Å; F202-F615 HydrophobicContact CD1-CE2 4.33Å; F202-F615 HydrophobicContact CD1-CZ 4.04Å; F202-F615 HydrophobicContact CD2-CE2 4.43Å; F202-F615 AromaticContact CD2-CZ 3.93Å; F202-F615 HydrophobicContact CD2-CZ 3.93Å; F202-F615 HydrophobicContact CE1-CE2 4.17Å; F202-F615 HydrophobicContact CE1-CZ 4.32Å; F202-F615 HydrophobicContact CE2-CE2 4.27Å; F202-F615 HydrophobicContact CE2-CZ 4.21Å; F202-F615 HydrophobicContact CG-CE2 4.46Å; F202-F615 AromaticContact CG-CZ 3.83Å; F202-F615 HydrophobicContact CG-CZ 3.83Å; F202-F615 HydrophobicContact CZ-CE2 4.12Å; F202-F615 HydrophobicContact CZ-CZ 4.39Å; A570-F615 VanDerWaalsContact O-CD1 3.26Å; A570-F615 WeakPolarHBondContact O-CD1 3.3Å; C572-F615 HydrophobicContact CB-CZ 4.33Å; T574-F615 HydrophobicContact CG2-CE2 4.1Å; Y600-F615 HydrophobicContact CE1-CB 3.89Å; L607-F615 HydrophobicContact CD1-CD2 4.35Å; L607-F615 HydrophobicContact CD1-CE2 4.15Å; Q611-F615 HydrophobicContact CG-CE2 3.77Å; Q611-F615 HydrophobicContact CG-CZ 3.99Å; Q611-F615 PolarHBondContact O-N 3.31Å; Q611-F615 HydrophobicContact CG-CD2 4.32Å; A612-F615 PolarHBondContact O-N 3.05Å; F615-K617 PolarHBondContact O-N 3.41Å; F615-E618 PolarHBondContact O-N 3.4Å; F615-L619 PolarHBondContact O-N 3.41Å
616H98.2Very high96Very high8 Ų847.6 Ų47.64%0.03725%0.249CC..Hα-helixtrans-64-39.8178-160.374.6000112.7F548 Y600 A612 L613 T614 L619 E620F548-H616 VanDerWaalsContact CB-CE1 3.41Å; F548-H616 WeakPolarHBondContact CB-CE1 3.24Å; F548-H616 WeakPolarHBondContact CB-ND1 3.41Å; F548-H616 HydrophobicContact CD2-CB 4.18Å; Y600-H616 AromaticContact CE2-ND1 3.84Å; Y600-H616 AromaticContact CZ-ND1 3.78Å; Y600-H616 PolarHBondContact OH-ND1 3.39Å; Y600-H616 VanDerWaalsContact OH-ND1 3.11Å; A612-H616 PolarHBondContact O-N 2.95Å; L613-H616 PolarHBondContact O-N 3.29Å; T614-H616 VanDerWaalsContact C-N 3.3Å; T614-H616 PolarHBondContact O-N 3.43Å; H616-L619 WeakPolarHBondContact O-CB 3.46Å; H616-L619 PolarHBondContact O-N 2.93Å; H616-E620 PolarHBondContact O-N 3.29Å; H616-E620 VanDerWaalsContact O-N 3.14Å; H616-E620 IonicContact CD2-OE1 2.9Å
617K97.4Very high95.7Very high116 Ų11649 Ų4950%0.50426%0.256SS..Hα-helixtrans-68.4-37.5175.3-72.8176177-178.50112.5L613 T614 F615 L619 E620 V621L613-K617 WeakPolarHBondContact O-CG 3.31Å; L613-K617 PolarHBondContact O-N 3.2Å; T614-K617 PolarHBondContact O-N 3.03Å; F615-K617 PolarHBondContact O-N 3.41Å; K617-L619 VanDerWaalsContact C-N 3.28Å; K617-L619 PolarHBondContact O-N 3.1Å; K617-E620 WeakPolarHBondContact O-CB 3.47Å; K617-E620 PolarHBondContact O-N 3.38Å; K617-V621 WeakPolarHBondContact O-CG2 3.36Å; K617-V621 PolarHBondContact O-N 2.93Å
618E96.7Very high95.1Very high93 Ų9355.9 Ų55.944%0.43529%0.287SS..Hα-helixtrans-62.2-40.3173.6-171.560.2-158.400110.9T614 F615 E620 V621 L622T614-E618 PolarHBondContact O-N 3.42Å; F615-E618 PolarHBondContact O-N 3.4Å; E618-E620 PolarHBondContact O-N 3.37Å; E618-V621 PolarHBondContact O-N 3.19Å; E618-L622 HydrophobicContact CG-CG 4.43Å; E618-L622 PolarHBondContact O-N 3.35Å; E618-L622 WeakPolarHBondContact O-CG 3.43Å; E618-L622 HydrophobicContact CG-CD1 4.39Å
619L97.4Very high94.8Very high0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-57.1-46.7173.3172.363.6000111.7I550 I566 V567 A570 L598 F615 H616 K617 V621 L622 L623I550-L619 HydrophobicContact CD1-CD2 3.9Å; I550-L619 HydrophobicContact CD1-CG 3.93Å; I566-L619 HydrophobicContact CG2-CD1 3.78Å; V567-L619 HydrophobicContact CB-CD1 4.43Å; V567-L619 HydrophobicContact CG2-CD1 3.7Å; V567-L619 HydrophobicContact CG2-CD2 3.95Å; V567-L619 HydrophobicContact CG2-CG 4.49Å; A570-L619 HydrophobicContact CB-CB 3.71Å; A570-L619 HydrophobicContact CB-CD1 4.25Å; L598-L619 HydrophobicContact CD2-CD2 3.4Å; L598-L619 VanDerWaalsContact CD2-CD2 3.4Å; F615-L619 PolarHBondContact O-N 3.41Å; H616-L619 WeakPolarHBondContact O-CB 3.46Å; H616-L619 PolarHBondContact O-N 2.93Å; K617-L619 VanDerWaalsContact C-N 3.28Å; K617-L619 PolarHBondContact O-N 3.1Å; L619-V621 VanDerWaalsContact C-N 3.28Å; L619-V621 PolarHBondContact O-N 2.86Å; L619-L622 PolarHBondContact O-N 3.2Å; L619-L623 HydrophobicContact CD1-CD1 3.81Å; L619-L623 PolarHBondContact O-N 2.64Å; L619-L623 WeakPolarHBondContact O-CG 3.06Å; L619-L623 VanDerWaalsContact O-CG 3.25Å; L619-L623 WeakPolarHBondContact O-CB 3.23Å; L619-L623 HydrophobicContact CG-CD1 3.94Å; L619-L623 HydrophobicContact CG-CG 4.28Å; L619-L623 HydrophobicContact CD1-CD2 4.15Å; L619-L623 HydrophobicContact CD1-CG 3.75Å
620E96.9Very high94.5Very high73 Ų7355.9 Ų55.934%0.34129%0.294SS..Hα-helixtrans-55.6-44176.6-65.3171.2-163.100111.7I550 H616 K617 E618 S624 V631I550-E620 HydrophobicContact CD1-CG 4Å; H616-E620 PolarHBondContact O-N 3.29Å; H616-E620 VanDerWaalsContact O-N 3.14Å; H616-E620 IonicContact CD2-OE1 2.9Å; K617-E620 WeakPolarHBondContact O-CB 3.47Å; K617-E620 PolarHBondContact O-N 3.38Å; E618-E620 PolarHBondContact O-N 3.37Å; E620-S624 PolarHBondContact O-N 3.07Å; E620-V631 HydrophobicContact CB-CG2 4.41Å; E620-V631 HydrophobicContact CG-CG1 4.14Å
621V95.9Very high94.3Very high85 Ų8554.8 Ų54.852%0.51529%0.287SS..Hα-helixtrans-65.7-45.9178.7174.50000111.7K617 E618 L619 S624 S625K617-V621 WeakPolarHBondContact O-CG2 3.36Å; K617-V621 PolarHBondContact O-N 2.93Å; E618-V621 PolarHBondContact O-N 3.19Å; L619-V621 VanDerWaalsContact C-N 3.28Å; L619-V621 PolarHBondContact O-N 2.86Å; V621-S624 PolarHBondContact O-N 3.24Å; V621-S625 WeakPolarHBondContact O-CB 3.25Å; V621-S625 PolarHBondContact O-N 2.77Å; V621-S625 PolarHBondContact O-OG 3.01Å
622L94.9Very high93.8Very high22 Ų2262.6 Ų62.612%0.11532%0.315CS..Hα-helixtrans-66.9-38.2-179.7-68.8-175.1000112.1I566 E569 A570 E618 L619 S625 R626I566-L622 HydrophobicContact CG2-CB 3.53Å; I566-L622 HydrophobicContact CG2-CD1 4.21Å; E569-L622 HydrophobicContact CG-CD1 4.21Å; A570-L622 HydrophobicContact CB-CD1 4.01Å; E618-L622 HydrophobicContact CG-CG 4.43Å; E618-L622 PolarHBondContact O-N 3.35Å; E618-L622 WeakPolarHBondContact O-CG 3.43Å; E618-L622 HydrophobicContact CG-CD1 4.39Å; L619-L622 PolarHBondContact O-N 3.2Å; L622-S625 WeakPolarHBondContact CA-OG 3.43Å; L622-S625 PolarHBondContact O-N 2.93Å; L622-S625 PolarHBondContact O-OG 3.31Å; L622-R626 VanDerWaalsContact O-CB 3.32Å; L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.4Å
623L94.4Very high93.6Very high0 Ų065.8 Ų65.80%033%0.33CS..Hα-helixtrans-63.2-48.5176.2-69.5177000111.5I550 F552 F563 I566 L619 S625 M627 Q628 V629I550-L623 HydrophobicContact CD1-CD1 3.54Å; F552-L623 HydrophobicContact CD1-CD1 4.15Å; F552-L623 HydrophobicContact CE1-CD1 4.17Å; F563-L623 HydrophobicContact CD2-CD1 4.16Å; F563-L623 HydrophobicContact CD2-CD2 3.7Å; F563-L623 HydrophobicContact CE2-CD1 3.96Å; F563-L623 HydrophobicContact CE2-CD2 4.31Å; I566-L623 HydrophobicContact CB-CD2 4.27Å; I566-L623 HydrophobicContact CD1-CD2 4.17Å; I566-L623 HydrophobicContact CG2-CD2 3.94Å; I566-L623 HydrophobicContact CG2-CG 4.34Å; L619-L623 HydrophobicContact CD1-CD1 3.81Å; L619-L623 PolarHBondContact O-N 2.64Å; L619-L623 WeakPolarHBondContact O-CG 3.06Å; L619-L623 VanDerWaalsContact O-CG 3.25Å; L619-L623 WeakPolarHBondContact O-CB 3.23Å; L619-L623 HydrophobicContact CG-CD1 3.94Å; L619-L623 HydrophobicContact CG-CG 4.28Å; L619-L623 HydrophobicContact CD1-CD2 4.15Å; L619-L623 HydrophobicContact CD1-CG 3.75Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-S625 PolarHBondContact O-N 3.14Å; L623-M627 HydrophobicContact CD2-CG 4.36Å; L623-M627 HydrophobicContact CD2-SD 3.67Å; L623-M627 WeakPolarHBondContact O-CA 3.45Å; L623-M627 WeakPolarHBondContact O-CB 3.43Å; L623-M627 PolarHBondContact O-N 2.95Å; L623-Q628 PolarHBondContact O-N 3.3Å; L623-V629 HydrophobicContact CB-CG2 3.72Å; L623-V629 WeakPolarHBondContact O-CG2 3.14Å
624S92.5Very high93.4Very high53 Ų5366.3 Ų66.337%0.37133%0.332SS..Hα-helixtrans-65-36.2179.3-77.20000113.3E620 V621 Q628 V629E620-S624 PolarHBondContact O-N 3.07Å; V621-S624 PolarHBondContact O-N 3.24Å; S624-Q628 WeakPolarHBondContact O-CA 3.07Å; S624-V629 WeakPolarHBondContact CA-O 3.37Å; S624-V629 PolarHBondContact OG-O 2.98Å
625S92Very high93.2Very high76 Ų7665.7 Ų65.753%0.53133%0.325SS..Hα-helixtrans-79.5-41.5-178.856.80000113.8V621 L622 L623V621-S625 WeakPolarHBondContact O-CB 3.25Å; V621-S625 PolarHBondContact O-N 2.77Å; V621-S625 PolarHBondContact O-OG 3.01Å; L622-S625 WeakPolarHBondContact CA-OG 3.43Å; L622-S625 PolarHBondContact O-N 2.93Å; L622-S625 PolarHBondContact O-OG 3.31Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-S625 PolarHBondContact O-N 3.14Å
626R89.1Confident92.9Very high104 Ų10468.7 Ų68.739%0.39234%0.34SS..Hα-helixtrans-96.3-32.6-172.9-66.1177.359.9176.6-8.1114.1I566 E569 L622I566-R626 HydrophobicContact CD1-CB 3.98Å; E569-R626 IonicContact OE1-NH1 3.92Å; E569-R626 PolarHBondContact OE1-NH1 3.48Å; E569-R626 IonicContact OE2-CZ 2.95Å; E569-R626 IonicContact OE2-NH1 2.79Å; E569-R626 PolarHBondContact OE2-NH1 3.19Å; E569-R626 IonicContact OE2-NH2 3.7Å; L622-R626 VanDerWaalsContact O-CB 3.32Å; L622-R626 WeakPolarHBondContact O-CB 3.47Å; L622-R626 PolarHBondContact O-N 3.4Å
627M88.5Confident92.6Very high33 Ų3372.5 Ų72.516%0.16336%0.359CS..SBendtrans-102.2-3.1180-55.5-165.574.500113W558 E559 M562 F563 I566 L623 V629W558-M627 HydrophobicContact CD2-CE 3.96Å; W558-M627 HydrophobicContact CE3-CB 4.44Å; W558-M627 HydrophobicContact CE3-CE 3.24Å; W558-M627 HydrophobicContact CE3-SD 4.11Å; W558-M627 HydrophobicContact CH2-CE 3.46Å; W558-M627 VanDerWaalsContact CH2-CE 3.46Å; W558-M627 HydrophobicContact CH2-SD 3.5Å; W558-M627 WeakPolarHBondContact CH2-SD 3.5Å; W558-M627 HydrophobicContact CZ2-CE 4.12Å; W558-M627 HydrophobicContact CZ3-CB 3.96Å; W558-M627 HydrophobicContact CZ3-CE 2.97Å; W558-M627 HydrophobicContact CZ3-CG 4.23Å; W558-M627 HydrophobicContact CZ3-SD 3.22Å; W558-M627 WeakPolarHBondContact CZ3-SD 3.07Å; E559-M627 WeakPolarHBondContact O-CE 3.22Å; M562-M627 HydrophobicContact CB-CE 3.63Å; M562-M627 HydrophobicContact CB-SD 4.33Å; M562-M627 HydrophobicContact CG-CE 3.71Å; M562-M627 HydrophobicContact CG-CG 4.11Å; M562-M627 HydrophobicContact CG-SD 3.97Å; F563-M627 HydrophobicContact CB-SD 4.25Å; I566-M627 HydrophobicContact CD1-CG 3.41Å; I566-M627 VanDerWaalsContact CD1-CG 3.41Å; I566-M627 HydrophobicContact CD1-SD 3.67Å; L623-M627 HydrophobicContact CD2-CG 4.36Å; L623-M627 HydrophobicContact CD2-SD 3.67Å; L623-M627 WeakPolarHBondContact O-CA 3.45Å; L623-M627 WeakPolarHBondContact O-CB 3.43Å; L623-M627 PolarHBondContact O-N 2.95Å; M627-V629 HydrophobicContact CB-CG1 3.97Å; M627-V629 HydrophobicContact CB-CG2 4.36Å; M627-V629 PolarHBondContact O-N 2.91Å; M627-V629 VanDerWaalsContact O-N 3.11Å
628Q85.4Confident92.3Very high157 Ų15769.6 Ų69.673%0.73435%0.349SS*.  trans54.429.8-178.3-56.6175.245.900112.6L623 S624L623-Q628 PolarHBondContact O-N 3.3Å; S624-Q628 WeakPolarHBondContact O-CA 3.07Å
629V89.9Confident91.9Very high7 Ų767.9 Ų67.94%0.04234%0.343CS..  trans-88.6154.5177.5-62.20000111.7F552 W553 T554 W558 L623 S624 M627F552-V629 HydrophobicContact CB-CB 4.25Å; F552-V629 HydrophobicContact CB-CG2 4.13Å; F552-V629 HydrophobicContact CD2-CB 4.13Å; F552-V629 HydrophobicContact CD2-CG1 4.13Å; F552-V629 HydrophobicContact CD2-CG2 4.2Å; F552-V629 HydrophobicContact CG-CB 4.46Å; F552-V629 HydrophobicContact CG-CG2 4.2Å; W553-V629 WeakPolarHBondContact O-CB 3.48Å; T554-V629 HydrophobicContact CG2-CG1 3.99Å; W558-V629 HydrophobicContact CE3-CG1 3.59Å; W558-V629 HydrophobicContact CZ3-CG1 3.46Å; W558-V629 VanDerWaalsContact CZ3-CG1 3.46Å; L623-V629 HydrophobicContact CB-CG2 3.72Å; L623-V629 WeakPolarHBondContact O-CG2 3.14Å; S624-V629 WeakPolarHBondContact CA-O 3.37Å; S624-V629 PolarHBondContact OG-O 2.98Å; M627-V629 HydrophobicContact CB-CG1 3.97Å; M627-V629 HydrophobicContact CB-CG2 4.36Å; M627-V629 PolarHBondContact O-N 2.91Å; M627-V629 VanDerWaalsContact O-N 3.11Å
630T90.7Very high91.5Very high91 Ų9173.2 Ų73.256%0.55837%0.37SS*.EExtended strand (participates in β ladder)trans-101.3105.6175.1-55.40000109.6F552 W553F552-T630 CarbonylContact C-O 3.39Å; F552-T630 VanDerWaalsContact CA-O 3.22Å; F552-T630 WeakPolarHBondContact CA-O 3.3Å; F552-T630 WeakPolarHBondContact CB-O 3.47Å; W553-T630 PolarHBondContact N-O 3.24Å; W553-T630 PolarHBondContact O-N 3.46Å
631V91.8Very high91.1Very high44 Ų4473.2 Ų73.227%0.26737%0.372SS..EExtended strand (participates in β ladder)trans-64.8141.3174.6-178.70000110.1S551 F552 E620S551-V631 WeakPolarHBondContact O-CA 3.43Å; F552-V631 HydrophobicContact CB-CG2 4.49Å; E620-V631 HydrophobicContact CB-CG2 4.41Å; E620-V631 HydrophobicContact CG-CG1 4.14Å
632R87.6Confident90.6Very high206 Ų20672.1 Ų72.178%0.77736%0.359SS*.  trans-1250-172.8169.9177.6168.6-103.6-1112.6S551S551-R632 PolarHBondContact O-N 2.73Å

Retrieved 632 of 632 residues in 262.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).