AMPA_ECOLI Loading...

Cytosol aminopeptidase

Probably involved in the processing and regular turnover of intracellular proteins1. Catalyzes the removal of unsubstituted N-terminal amino acids from various peptides. Required for plasmid ColE1 site-specific recombination but not in its aminopeptidase activity. Could act as a structural component of the putative nucleoprotein complex in which the Xer recombination reaction takes place2.

AlphaFold DB , UniProt , Accession P68767, Species ECOLI (Escherichia coli (strain K12)), Gene pepA, Length 503 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
1M91.7Very high92.2Very high55 Ų5546.5 Ų46.527%0.27126%0.258SS..  0120.60-174162.273.200110.3F3 I97 A133 K134 L137 L154 R155 M157M1-F3 HydrophobicContact CE-CE1 3.5Å; M1-F3 HydrophobicContact CE-CE2 4.13Å; M1-F3 HydrophobicContact CE-CZ 3.2Å; M1-F3 HydrophobicContact CG-CE2 4.38Å; M1-F3 HydrophobicContact CG-CZ 4.23Å; M1-F3 HydrophobicContact SD-CE1 4.48Å; M1-F3 HydrophobicContact SD-CZ 4.42Å; M1-I97 HydrophobicContact CE-CD1 4.21Å; M1-A133 HydrophobicContact CE-CB 3.6Å; M1-K134 PolarHBondContact O-NZ 3.06Å; M1-L137 HydrophobicContact CB-CD1 4.49Å; M1-L137 HydrophobicContact CE-CD1 3.57Å; M1-L137 HydrophobicContact SD-CD1 4Å; M1-L154 HydrophobicContact SD-CB 4.27Å; M1-L154 HydrophobicContact SD-CD2 3.43Å; M1-L154 WeakPolarHBondContact SD-CD2 3.16Å; M1-L154 HydrophobicContact SD-CG 3.61Å; M1-R155 CarbonylContact C-O 3.51Å; M1-R155 WeakPolarHBondContact CA-O 3.49Å; M1-M157 HydrophobicContact SD-CB 4.29Å
2E95.6Very high91.6Very high137 Ų13755.3 Ų55.364%0.6429%0.291SS*.EExtended strand (participates in β ladder)trans-87152.2173.1-66.4172.2-172.200110.6R155 K156 M157E2-R155 PolarHBondContact N-O 2.83Å; E2-K156 HydrophobicContact CB-CG 4.49Å; E2-K156 WeakPolarHBondContact O-CA 3.47Å; E2-M157 PolarHBondContact O-N 2.68Å
3F97.9Very high91Very high22 Ų2252.9 Ų52.910%0.09628%0.278CS..EExtended strand (participates in β ladder)trans-130.9143.9176.9-59.6-90.6000110.1M1 V130 A133 K134 M157 F159 I174 L178M1-F3 HydrophobicContact CE-CE1 3.5Å; M1-F3 HydrophobicContact CE-CE2 4.13Å; M1-F3 HydrophobicContact CE-CZ 3.2Å; M1-F3 HydrophobicContact CG-CE2 4.38Å; M1-F3 HydrophobicContact CG-CZ 4.23Å; M1-F3 HydrophobicContact SD-CE1 4.48Å; M1-F3 HydrophobicContact SD-CZ 4.42Å; F3-V130 HydrophobicContact CB-CG2 4.36Å; F3-V130 HydrophobicContact CD1-CG2 3.92Å; F3-V130 HydrophobicContact CD2-CG1 4.16Å; F3-V130 HydrophobicContact CD2-CG2 4.45Å; F3-V130 HydrophobicContact CE1-CG2 4.19Å; F3-V130 HydrophobicContact CE2-CG1 3.98Å; F3-V130 HydrophobicContact CG-CG2 4.01Å; F3-V130 HydrophobicContact CZ-CG1 4.16Å; F3-A133 HydrophobicContact CE1-CB 3.96Å; F3-A133 HydrophobicContact CZ-CB 3.9Å; F3-K134 HydrophobicContact CE2-CD 4.03Å; F3-K134 HydrophobicContact CE2-CG 4.26Å; F3-K134 HydrophobicContact CZ-CD 4.37Å; F3-K134 HydrophobicContact CZ-CG 4.38Å; F3-M157 VanDerWaalsContact CA-O 3.29Å; F3-M157 WeakPolarHBondContact CA-O 3.36Å; F3-M157 HydrophobicContact CD1-CB 3.79Å; F3-M157 HydrophobicContact CD1-CG 4.24Å; F3-M157 HydrophobicContact CE1-CB 4.03Å; F3-M157 HydrophobicContact CE1-CG 4.42Å; F3-F159 HydrophobicContact CD1-CD2 4.41Å; F3-F159 AromaticContact CD1-CE2 3.46Å; F3-F159 HydrophobicContact CD1-CE2 3.46Å; F3-F159 VanDerWaalsContact CD1-CE2 3.46Å; F3-F159 AromaticContact CD1-CZ 3.98Å; F3-F159 HydrophobicContact CD1-CZ 3.98Å; F3-F159 HydrophobicContact CE1-CE2 4Å; F3-F159 HydrophobicContact CE1-CZ 4.1Å; F3-F159 HydrophobicContact CG-CE2 4.39Å; F3-I174 HydrophobicContact CB-CD1 4.01Å; F3-I174 HydrophobicContact CB-CG1 4.27Å; F3-I174 HydrophobicContact CB-CG2 3.85Å; F3-L178 HydrophobicContact CD2-CD2 3.74Å; F3-L178 HydrophobicContact CD2-CG 4.39Å; F3-L178 HydrophobicContact CE2-CD2 3.86Å
4S97.4Very high90.6Very high41 Ų4164.3 Ų64.329%0.28732%0.315SS..EExtended strand (participates in β ladder)trans-146.3159170.760.60000110M157 V158 F159 I174S4-M157 PolarHBondContact N-O 2.97Å; S4-V158 CarbonylContact O-C 3.58Å; S4-V158 VanDerWaalsContact O-CA 3.29Å; S4-V158 WeakPolarHBondContact O-CA 3.47Å; S4-V158 WeakPolarHBondContact OG-CG2 3.45Å; S4-F159 PolarHBondContact O-N 2.83Å; S4-I174 VanDerWaalsContact CA-CD1 3.48Å
5V96.6Very high90Very high16 Ų1660.8 Ų60.810%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-104.8154.8168.7-67.30000111.2V126 F159 V161 L167 E171 I174V5-V126 HydrophobicContact CG1-CG1 4.08Å; V5-V126 HydrophobicContact CG1-CG2 4.5Å; V5-F159 CarbonylContact C-O 3.51Å; V5-F159 VanDerWaalsContact CA-O 3.27Å; V5-F159 WeakPolarHBondContact CA-O 3.39Å; V5-F159 HydrophobicContact CG1-CB 4.35Å; V5-V161 HydrophobicContact CB-CG1 4.49Å; V5-V161 HydrophobicContact CG1-CG1 4.35Å; V5-L167 HydrophobicContact CG2-CD2 4.11Å; V5-E171 HydrophobicContact CG2-CB 4.48Å; V5-E171 HydrophobicContact CG2-CG 3.57Å; V5-I174 HydrophobicContact CB-CD1 4.43Å; V5-I174 HydrophobicContact CG1-CD1 3.59Å; V5-I174 HydrophobicContact CG1-CG1 4.27Å
6K95.1Very high89.8Confident47 Ų4758.8 Ų58.820%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-148.7166.9167.570.8-178.4168.9-1640110.4V109 V158 F159 N160 V161K6-V109 VanDerWaalsContact NZ-CG1 3.28Å; K6-V158 HydrophobicContact CB-CG1 4.21Å; K6-V158 HydrophobicContact CD-CG1 3.64Å; K6-V158 HydrophobicContact CG-CG1 3.7Å; K6-F159 PolarHBondContact N-O 3.02Å; K6-N160 CarbonylContact O-C 3.57Å; K6-N160 WeakPolarHBondContact O-CA 3.47Å; K6-N160 PolarHBondContact O-OD1 2.79Å; K6-V161 WeakPolarHBondContact O-CG2 3.49Å; K6-V161 PolarHBondContact O-N 3.37Å
7S92.8Very high90.1Very high34 Ų3455.3 Ų55.324%0.23828%0.278CS..  trans-126.2117.2168.3-177.60000108.4V161 T163 R164S7-V161 WeakPolarHBondContact CB-O 3.39Å; S7-V161 PolarHBondContact OG-O 2.85Å; S7-T163 VanDerWaalsContact OG-C 3.31Å; S7-R164 PolarHBondContact OG-N 3.24Å
8G88.7Confident90.5Very high30 Ų3052.2 Ų52.231%0.30926%0.263SS..  trans-172.5162.8177.300000113.9N160G8-N160 PolarHBondContact N-OD1 3.47Å; G8-N160 VanDerWaalsContact N-OD1 3.15Å; G8-N160 PolarHBondContact O-OD1 3.2Å
9S87.6Confident90.8Very high37 Ų3749.5 Ų49.526%0.25925%0.249SC..  trans-67.4144.1177175.20000111.4E11 Q13S9-E11 PolarHBondContact O-N 3.41Å; S9-E11 VanDerWaalsContact OG-CD 3.32Å; S9-E11 VanDerWaalsContact OG-CG 3.27Å; S9-E11 WeakPolarHBondContact OG-CG 3.4Å; S9-E11 PolarHBondContact OG-N 2.87Å; S9-E11 PolarHBondContact OG-OE1 3.14Å; S9-Q13 WeakPolarHBondContact O-CG 3.47Å; S9-Q13 PolarHBondContact O-NE2 2.53Å
10P85.9Confident91.2Very high1 Ų147 Ų471%0.00624%0.236CC..G310 helixtrans-60.4-27173.927.3-38000113.2K12 Q13 I31 Q34 L35 F111P10-K12 VanDerWaalsContact C-N 3.28Å; P10-K12 PolarHBondContact O-N 3.01Å; P10-Q13 WeakPolarHBondContact O-CB 3.49Å; P10-Q13 WeakPolarHBondContact O-CG 3.45Å; P10-Q13 PolarHBondContact O-N 2.8Å; P10-I31 HydrophobicContact CB-CG2 3.93Å; P10-I31 HydrophobicContact CG-CG2 3.91Å; P10-Q34 HydrophobicContact CG-CB 4Å; P10-L35 HydrophobicContact CB-CD1 4.41Å; P10-L35 HydrophobicContact CB-CD2 3.79Å; P10-L35 HydrophobicContact CB-CG 3.92Å; P10-L35 HydrophobicContact CG-CD2 4.49Å; P10-L35 HydrophobicContact CG-CG 4.37Å; P10-F111 HydrophobicContact CB-CE2 4.41Å; P10-F111 HydrophobicContact CB-CZ 4.03Å
11E85.1Confident91.5Very high92 Ų9244.8 Ų44.843%0.4323%0.225SC..G310 helixtrans-62.5-31.4-176.579.9-163.2165.900113.5S9 I38 L69S9-E11 PolarHBondContact O-N 3.41Å; S9-E11 VanDerWaalsContact OG-CD 3.32Å; S9-E11 VanDerWaalsContact OG-CG 3.27Å; S9-E11 WeakPolarHBondContact OG-CG 3.4Å; S9-E11 PolarHBondContact OG-N 2.87Å; S9-E11 PolarHBondContact OG-OE1 3.14Å; E11-I38 HydrophobicContact CB-CD1 3.51Å; E11-I38 HydrophobicContact CB-CG1 4.47Å; E11-L69 WeakPolarHBondContact O-CD1 3.48Å
12K84.3Confident91.8Very high151 Ų15142.1 Ų42.166%0.65721%0.212SC*.G310 helixtrans-921.4-175-60.3-173.9-177.2174.50112.6P10 R14P10-K12 VanDerWaalsContact C-N 3.28Å; P10-K12 PolarHBondContact O-N 3.01Å; K12-R14 PolarHBondContact O-N 3.11Å
13Q84.4Confident91.9Very high25 Ų2535.8 Ų35.812%0.11718%0.182CC..  trans-83.5113.1-172.5-54.4-54.1-28.400111.2S9 P10 I18 S70 F111S9-Q13 WeakPolarHBondContact O-CG 3.47Å; S9-Q13 PolarHBondContact O-NE2 2.53Å; P10-Q13 WeakPolarHBondContact O-CB 3.49Å; P10-Q13 WeakPolarHBondContact O-CG 3.45Å; P10-Q13 PolarHBondContact O-N 2.8Å; Q13-I18 HydrophobicContact CB-CD1 3.9Å; Q13-I18 HydrophobicContact CB-CG1 4.24Å; Q13-S70 PolarHBondContact O-N 2.97Å; Q13-F111 HydrophobicContact CG-CZ 4.18Å
14R85.2Confident91.8Very high212 Ų21237.8 Ų37.880%0.819%0.192SC*.  trans-96.924.6175-61.3-175177.6-148.5-1.1113.1K12 L69K12-R14 PolarHBondContact O-N 3.11Å; R14-L69 HydrophobicContact CG-CB 4.22Å; R14-L69 HydrophobicContact CG-CD1 4.09Å
15S81.9Confident91.7Very high12 Ų1240.2 Ų40.28%0.08421%0.207CC..SBendtrans-71.8162.7-179.9510000112.2C17 S70 V109S15-C17 VanDerWaalsContact C-N 3.3Å; S15-C17 PolarHBondContact O-N 2.93Å; S15-C17 PolarHBondContact OG-O 2.78Å; S15-S70 PolarHBondContact O-OG 2.98Å; S15-V109 VanDerWaalsContact CB-CG2 3.43Å; S15-V109 VanDerWaalsContact OG-CG2 3.28Å; S15-V109 WeakPolarHBondContact OG-CG2 3.34Å
16A86.3Confident91.6Very high28 Ų2844.4 Ų44.423%0.23122%0.221CC..SBendtrans-66.4-30.417600000113.2R72A16-R72 WeakPolarHBondContact O-CB 3.26Å; A16-R72 WeakPolarHBondContact O-CG 3.03Å; A16-R72 PolarHBondContact O-N 3.43Å
17C95.4Very high91.7Very high0 Ų048.4 Ų48.40%024%0.235CC..EExtended strand (participates in β ladder)trans-148.1134175.7-171.20000112.2S15 R72 L100 E107 A108 V109S15-C17 VanDerWaalsContact C-N 3.3Å; S15-C17 PolarHBondContact O-N 2.93Å; S15-C17 PolarHBondContact OG-O 2.78Å; C17-R72 WeakPolarHBondContact CA-O 3.46Å; C17-R72 HydrophobicContact CB-CB 4.14Å; C17-L100 HydrophobicContact CB-CD2 4.17Å; C17-E107 PolarHBondContact N-O 2.9Å; C17-A108 HydrophobicContact CB-CB 4.3Å; C17-A108 CarbonylContact O-C 3.53Å; C17-A108 VanDerWaalsContact O-CA 3.25Å; C17-A108 WeakPolarHBondContact O-CA 3.48Å; C17-V109 PolarHBondContact O-N 3.11Å
18I96.4Very high91.9Very high0 Ų047.4 Ų47.40%023%0.227CC..EExtended strand (participates in β ladder)trans-100.1132.9167.8-67.6170.6000108.8Q13 V20 L35 V68 S70 R72 I73 L74 V109 F111Q13-I18 HydrophobicContact CB-CD1 3.9Å; Q13-I18 HydrophobicContact CB-CG1 4.24Å; I18-V20 HydrophobicContact CG2-CG1 4Å; I18-L35 HydrophobicContact CD1-CD2 4.31Å; I18-L35 HydrophobicContact CG2-CD1 3.84Å; I18-V68 HydrophobicContact CD1-CG1 4.25Å; I18-S70 VanDerWaalsContact CD1-CB 3.46Å; I18-S70 PolarHBondContact N-OG 3.27Å; I18-R72 PolarHBondContact N-O 2.9Å; I18-I73 CarbonylContact O-C 3.56Å; I18-I73 WeakPolarHBondContact O-CA 3.37Å; I18-L74 PolarHBondContact O-N 3.09Å; I18-V109 CarbonylContact C-O 3.52Å; I18-F111 HydrophobicContact CG2-CD2 3.86Å; I18-F111 HydrophobicContact CG2-CE2 3.75Å
19V97.5Very high92.3Very high0 Ų046.1 Ų46.10%021%0.213CC..EExtended strand (participates in β ladder)trans-110.1126.7175.9-171.70000110.5L74 I76 T96 L100 A108 V109 C110 F111 L112V19-L74 WeakPolarHBondContact CA-O 3.5Å; V19-L74 HydrophobicContact CG2-CB 4.35Å; V19-L74 HydrophobicContact CG2-CD2 4.34Å; V19-I76 HydrophobicContact CG1-CG1 3.68Å; V19-T96 HydrophobicContact CB-CG2 4.47Å; V19-T96 HydrophobicContact CG1-CG2 3.66Å; V19-T96 HydrophobicContact CG2-CG2 4.16Å; V19-L100 HydrophobicContact CG2-CD1 3.93Å; V19-L100 HydrophobicContact CG2-CD2 4.25Å; V19-L100 HydrophobicContact CG2-CG 4.46Å; V19-A108 HydrophobicContact CG2-CB 4.37Å; V19-V109 PolarHBondContact N-O 2.86Å; V19-C110 HydrophobicContact CB-CB 4.41Å; V19-F111 PolarHBondContact O-N 2.79Å; V19-L112 HydrophobicContact CG1-CD1 3.79Å; V19-L112 HydrophobicContact CG1-CD2 4.45Å; V19-L112 HydrophobicContact CG1-CG 4.01Å
20V97.9Very high92.6Very high0 Ų047.9 Ų47.90%022%0.224CC..EExtended strand (participates in β ladder)trans-138156.5177.6-66.20000112.2I18 I31 A32 L35 I73 L74 L75 I76 F111I18-V20 HydrophobicContact CG2-CG1 4Å; V20-I31 HydrophobicContact CG1-CB 4.26Å; V20-I31 HydrophobicContact CG1-CG2 3.77Å; V20-A32 HydrophobicContact CB-CB 3.9Å; V20-A32 HydrophobicContact CG2-CB 3.7Å; V20-L35 HydrophobicContact CG1-CD1 3.69Å; V20-L35 HydrophobicContact CG2-CD1 4.25Å; V20-I73 HydrophobicContact CG2-CG2 4.08Å; V20-L74 PolarHBondContact N-O 3.35Å; V20-L75 HydrophobicContact CG2-CD2 3.51Å; V20-I76 PolarHBondContact O-N 2.81Å; V20-F111 HydrophobicContact CG1-CB 4.21Å; V20-F111 HydrophobicContact CG1-CD2 4.23Å
21G97.5Very high93.1Very high0 Ų048.3 Ų48.30%023%0.226CC..EExtended strand (participates in β ladder)trans-90.9150.3-177.800000113.7S29 I76 C78G21-S29 PolarHBondContact N-OG 3.32Å; G21-S29 WeakPolarHBondContact O-CB 3Å; G21-S29 PolarHBondContact O-N 2.74Å; G21-S29 PolarHBondContact O-OG 2.88Å; G21-I76 CarbonylContact C-O 3.52Å; G21-I76 WeakPolarHBondContact CA-O 3.48Å; G21-C78 VanDerWaalsContact CA-SG 3.58Å
22V98.3Very high93.6Very high0 Ų044 Ų440%021%0.205CC..EExtended strand (participates in β ladder)trans-129.4122.9169-176.90000108.1R27 L28 L47 L52 G54 L75 I76 G77 C78V22-R27 CarbonylContact C-O 3.54Å; V22-R27 WeakPolarHBondContact CA-O 3.34Å; V22-L28 HydrophobicContact CG2-CD2 4.11Å; V22-L47 HydrophobicContact CG1-CD1 3.88Å; V22-L47 HydrophobicContact CG1-CD2 4.44Å; V22-L52 HydrophobicContact CB-CD2 3.87Å; V22-L52 HydrophobicContact CG1-CD2 4.21Å; V22-L52 HydrophobicContact CG2-CD2 3.78Å; V22-G54 VanDerWaalsContact O-CA 3.3Å; V22-G54 WeakPolarHBondContact O-CA 3.18Å; V22-L75 HydrophobicContact CG2-CB 4.03Å; V22-L75 HydrophobicContact CG2-CD1 4.38Å; V22-L75 HydrophobicContact CG2-CD2 4.39Å; V22-I76 PolarHBondContact N-O 3.45Å; V22-G77 WeakPolarHBondContact O-CA 3.3Å; V22-C78 PolarHBondContact O-N 2.9Å
23F97.6Very high94.2Very high3 Ų341.3 Ų41.31%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-91.6156.5178-63.1-69.8000112.1P25 R26 R27 C78 G79 E81 L84 L115F23-P25 CarbonylContact O-C 3.54Å; F23-R26 CarbonylContact O-C 3.44Å; F23-R26 PolarHBondContact O-N 3.34Å; F23-R27 HydrophobicContact CB-CB 4.29Å; F23-R27 PolarHBondContact N-O 3.47Å; F23-R27 PolarHBondContact O-N 2.95Å; F23-C78 HydrophobicContact CD1-CB 3.65Å; F23-C78 HydrophobicContact CE1-CB 3.68Å; F23-G79 CarbonylContact C-O 3.58Å; F23-G79 WeakPolarHBondContact CA-O 3.43Å; F23-G79 WeakPolarHBondContact CB-O 3.47Å; F23-G79 WeakPolarHBondContact CD1-O 3.24Å; F23-E81 HydrophobicContact CB-CB 4.23Å; F23-E81 VanDerWaalsContact CD1-CA 3.48Å; F23-E81 HydrophobicContact CD1-CB 3.72Å; F23-E81 HydrophobicContact CD1-CG 4.25Å; F23-E81 HydrophobicContact CD2-CB 4.04Å; F23-E81 HydrophobicContact CD2-CG 4.09Å; F23-E81 HydrophobicContact CE1-CB 3.96Å; F23-E81 HydrophobicContact CE1-CG 4.03Å; F23-E81 HydrophobicContact CE2-CB 4.25Å; F23-E81 HydrophobicContact CE2-CG 3.84Å; F23-E81 HydrophobicContact CG-CB 3.75Å; F23-E81 HydrophobicContact CG-CG 4.27Å; F23-E81 HydrophobicContact CZ-CB 4.2Å; F23-E81 HydrophobicContact CZ-CG 3.8Å; F23-L84 HydrophobicContact CE1-CD2 4.22Å; F23-L115 HydrophobicContact CE2-CD2 4.11Å; F23-L115 HydrophobicContact CZ-CB 4.49Å; F23-L115 HydrophobicContact CZ-CD1 4.46Å; F23-L115 HydrophobicContact CZ-CD2 3.76Å; F23-L115 HydrophobicContact CZ-CG 4.43Å
24E95.2Very high94.8Very high65 Ų6544.2 Ų44.230%0.30421%0.209SC..THydrogen-bonded Turntrans-78.5136173-176.2177.5170.800111.6G79 K80E24-G79 PolarHBondContact N-O 2.66Å; E24-K80 HydrophobicContact CB-CG 4.2Å
25P95Very high95.3Very high91 Ų9134.1 Ų34.159%0.59117%0.171SC*.THydrogen-bonded Turncis-89.6115.9-10.733-29.6000111.3F23 R27 E53F23-P25 CarbonylContact O-C 3.54Å; P25-R27 PolarHBondContact O-N 3.37Å; P25-E53 WeakPolarHBondContact CA-OE1 3.47Å; P25-E53 WeakPolarHBondContact CB-OE1 3.23Å
26R95.4Very high96.1Very high104 Ų10434.5 Ų34.539%0.39217%0.172SC..THydrogen-bonded Turntrans54.825.7170.3-63.5179.7-77.4166.92.8116.1F23 L47 R48 L52 E53F23-R26 CarbonylContact O-C 3.44Å; F23-R26 PolarHBondContact O-N 3.34Å; R26-L47 HydrophobicContact CB-CB 4.25Å; R26-L47 HydrophobicContact CB-CD1 4.48Å; R26-L47 WeakPolarHBondContact CD-O 3.41Å; R26-L47 HydrophobicContact CG-CB 4.46Å; R26-L47 PolarHBondContact NH1-O 3.04Å; R26-L47 WeakPolarHBondContact O-CD1 3.47Å; R26-R48 PolarHBondContact NH1-O 3.11Å; R26-L52 WeakPolarHBondContact CG-O 3.3Å; R26-E53 WeakPolarHBondContact CD-OE2 3.31Å; R26-E53 WeakPolarHBondContact CG-OE2 3.37Å; R26-E53 PolarHBondContact N-O 2.82Å; R26-E53 IonicContact NE-OE1 3.89Å; R26-E53 IonicContact NE-OE2 3.31Å; R26-E53 PolarHBondContact NE-OE2 3.24Å
27R96.6Very high96.6Very high131 Ų13141.5 Ų41.549%0.49420%0.197SC..EExtended strand (participates in β ladder)trans-89.1122.2179.6-176.5174.5178.6-157.9-12110.1V22 F23 P25 E81V22-R27 CarbonylContact C-O 3.54Å; V22-R27 WeakPolarHBondContact CA-O 3.34Å; F23-R27 HydrophobicContact CB-CB 4.29Å; F23-R27 PolarHBondContact N-O 3.47Å; F23-R27 PolarHBondContact O-N 2.95Å; P25-R27 PolarHBondContact O-N 3.37Å; R27-E81 IonicContact CZ-OE2 3.23Å; R27-E81 VanDerWaalsContact CZ-OE2 3.23Å; R27-E81 IonicContact NE-OE2 4Å; R27-E81 IonicContact NH1-OE2 2.62Å; R27-E81 PolarHBondContact NH1-OE2 2.98Å; R27-E81 IonicContact NH2-OE2 3.64Å
28L97.8Very high96.6Very high14 Ų1443.5 Ų43.57%0.07321%0.207CC..EExtended strand (participates in β ladder)trans-66.5140.7176.3-66.5177.2000110.5V22 A32 E33 D36 I43 L47V22-L28 HydrophobicContact CG2-CD2 4.11Å; L28-A32 HydrophobicContact CB-CB 3.9Å; L28-A32 HydrophobicContact CD2-CB 3.88Å; L28-A32 HydrophobicContact CG-CB 4.38Å; L28-E33 HydrophobicContact CB-CG 3.58Å; L28-E33 HydrophobicContact CD1-CG 4.46Å; L28-D36 HydrophobicContact CD1-CB 3.58Å; L28-I43 HydrophobicContact CD2-CG2 3.79Å; L28-L47 HydrophobicContact CD2-CD1 3.46Å; L28-L47 VanDerWaalsContact CD2-CD1 3.46Å; L28-L47 HydrophobicContact CG-CD1 4.03Å
29S96.7Very high96.6Very high3 Ų343.7 Ų43.72%0.02121%0.208CC..PPolyproline II helixtrans-64.9159.2165.159.10000110.5G21 I31 A32 E33G21-S29 PolarHBondContact N-OG 3.32Å; G21-S29 WeakPolarHBondContact O-CB 3Å; G21-S29 PolarHBondContact O-N 2.74Å; G21-S29 PolarHBondContact O-OG 2.88Å; S29-I31 PolarHBondContact O-N 3.36Å; S29-I31 VanDerWaalsContact O-N 3.08Å; S29-A32 CarbonylContact O-C 3.59Å; S29-A32 WeakPolarHBondContact O-CA 3.24Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.95Å; S29-A32 WeakPolarHBondContact OG-CB 3.49Å; S29-E33 PolarHBondContact O-N 3.41Å
30P95Very high96.5Very high74 Ų7450 Ų5048%0.48124%0.243SC..Hα-helixtrans-53-36.9-176.1-30.136.1000114.7Q34P30-Q34 WeakPolarHBondContact O-CG 3.41Å; P30-Q34 PolarHBondContact O-N 3.3Å
31I94.9Very high96.5Very high10 Ų1051 Ų515%0.05125%0.252CS..Hα-helixtrans-74.6-35.1175.8-58.5-57.6000111.8P10 V20 S29 E33 Q34 L35 F111 E114P10-I31 HydrophobicContact CB-CG2 3.93Å; P10-I31 HydrophobicContact CG-CG2 3.91Å; V20-I31 HydrophobicContact CG1-CB 4.26Å; V20-I31 HydrophobicContact CG1-CG2 3.77Å; S29-I31 PolarHBondContact O-N 3.36Å; S29-I31 VanDerWaalsContact O-N 3.08Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-Q34 PolarHBondContact O-N 2.9Å; I31-L35 PolarHBondContact O-N 3.08Å; I31-L35 VanDerWaalsContact O-N 3.07Å; I31-F111 HydrophobicContact CB-CB 4.17Å; I31-F111 HydrophobicContact CB-CD1 4.26Å; I31-F111 HydrophobicContact CB-CG 4.31Å; I31-F111 HydrophobicContact CD1-CD1 4.26Å; I31-F111 HydrophobicContact CG1-CB 4.14Å; I31-F111 HydrophobicContact CG1-CD1 3.85Å; I31-F111 HydrophobicContact CG1-CG 4.28Å; I31-F111 HydrophobicContact CG2-CB 3.97Å; I31-F111 HydrophobicContact CG2-CD1 3.62Å; I31-F111 HydrophobicContact CG2-CD2 4.06Å; I31-F111 HydrophobicContact CG2-CE1 4.02Å; I31-F111 HydrophobicContact CG2-CE2 4.43Å; I31-F111 HydrophobicContact CG2-CG 3.63Å; I31-F111 HydrophobicContact CG2-CZ 4.41Å; I31-E114 WeakPolarHBondContact CD1-OE2 3.42Å
32A96.7Very high96.5Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-67-33.4174.200000111.9V20 L28 S29 L35 D36V20-A32 HydrophobicContact CB-CB 3.9Å; V20-A32 HydrophobicContact CG2-CB 3.7Å; L28-A32 HydrophobicContact CB-CB 3.9Å; L28-A32 HydrophobicContact CD2-CB 3.88Å; L28-A32 HydrophobicContact CG-CB 4.38Å; S29-A32 CarbonylContact O-C 3.59Å; S29-A32 WeakPolarHBondContact O-CA 3.24Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.95Å; S29-A32 WeakPolarHBondContact OG-CB 3.49Å; A32-L35 PolarHBondContact O-N 3.49Å; A32-D36 WeakPolarHBondContact O-CB 3.41Å; A32-D36 PolarHBondContact O-N 3.26Å
33E97.2Very high96.5Very high96 Ų9655 Ų5545%0.44927%0.268SS..Hα-helixtrans-63.6-39.8171.8-68.1178.4164.700111.9L28 S29 I31 D36 K37L28-E33 HydrophobicContact CB-CG 3.58Å; L28-E33 HydrophobicContact CD1-CG 4.46Å; S29-E33 PolarHBondContact O-N 3.41Å; I31-E33 VanDerWaalsContact C-N 3.32Å; E33-D36 PolarHBondContact O-N 2.91Å; E33-K37 PolarHBondContact O-N 3.1Å
34Q96.1Very high96.4Very high85 Ų8556 Ų5640%0.39728%0.275SS..Hα-helixtrans-63.4-44.7174.6-68.8175.937.200111.7P10 P30 I31 D36 K37 I38P10-Q34 HydrophobicContact CG-CB 4Å; P30-Q34 WeakPolarHBondContact O-CG 3.41Å; P30-Q34 PolarHBondContact O-N 3.3Å; I31-Q34 PolarHBondContact O-N 2.9Å; Q34-D36 VanDerWaalsContact C-N 3.35Å; Q34-K37 PolarHBondContact O-N 3.5Å; Q34-I38 WeakPolarHBondContact O-CD1 3.43Å; Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.42Å; Q34-I38 PolarHBondContact O-N 3.08Å
35L96.3Very high96.5Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-62.7-41.1174.8-73.8168.4000111.9P10 I18 V20 I31 A32 K37 I38 S39 I43 V68 I73P10-L35 HydrophobicContact CB-CD1 4.41Å; P10-L35 HydrophobicContact CB-CD2 3.79Å; P10-L35 HydrophobicContact CB-CG 3.92Å; P10-L35 HydrophobicContact CG-CD2 4.49Å; P10-L35 HydrophobicContact CG-CG 4.37Å; I18-L35 HydrophobicContact CD1-CD2 4.31Å; I18-L35 HydrophobicContact CG2-CD1 3.84Å; V20-L35 HydrophobicContact CG1-CD1 3.69Å; V20-L35 HydrophobicContact CG2-CD1 4.25Å; I31-L35 PolarHBondContact O-N 3.08Å; I31-L35 VanDerWaalsContact O-N 3.07Å; A32-L35 PolarHBondContact O-N 3.49Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.1Å; L35-I38 PolarHBondContact O-N 3.17Å; L35-S39 WeakPolarHBondContact O-CB 3.46Å; L35-S39 PolarHBondContact O-N 3.43Å; L35-S39 PolarHBondContact O-OG 3.29Å; L35-S39 VanDerWaalsContact O-OG 3.04Å; L35-I43 HydrophobicContact CB-CD1 3.84Å; L35-V68 HydrophobicContact CD2-CG1 4.05Å; L35-V68 HydrophobicContact CD2-CG2 4.02Å; L35-I73 HydrophobicContact CD1-CD1 4.3Å; L35-I73 HydrophobicContact CD1-CG2 4.37Å; L35-I73 HydrophobicContact CD2-CD1 4.32Å
36D97.7Very high96.6Very high21 Ų2150.5 Ų50.511%0.11225%0.247CC..Hα-helixtrans-61-44.6177.4-168.950.4000111L28 A32 E33 Q34 I38 S39 D40 G41 Y42 I43 S44L28-D36 HydrophobicContact CD1-CB 3.58Å; A32-D36 WeakPolarHBondContact O-CB 3.41Å; A32-D36 PolarHBondContact O-N 3.26Å; E33-D36 PolarHBondContact O-N 2.91Å; Q34-D36 VanDerWaalsContact C-N 3.35Å; D36-I38 PolarHBondContact O-N 3.4Å; D36-S39 WeakPolarHBondContact CA-OG 3.22Å; D36-S39 CarbonylContact O-C 3.37Å; D36-S39 PolarHBondContact O-N 3.21Å; D36-S39 VanDerWaalsContact O-N 3.17Å; D36-S39 PolarHBondContact O-OG 3.02Å; D36-D40 PolarHBondContact O-N 3.39Å; D36-G41 PolarHBondContact O-N 2.92Å; D36-G41 VanDerWaalsContact OD1-CA 3.23Å; D36-G41 WeakPolarHBondContact OD1-CA 3.33Å; D36-Y42 PolarHBondContact OD1-N 3.47Å; D36-I43 HydrophobicContact CB-CB 4.19Å; D36-I43 HydrophobicContact CB-CD1 4.49Å; D36-I43 WeakPolarHBondContact OD1-CA 3.37Å; D36-I43 VanDerWaalsContact OD1-CB 3.31Å; D36-I43 WeakPolarHBondContact OD1-CB 3.47Å; D36-I43 PolarHBondContact OD1-N 2.8Å; D36-S44 PolarHBondContact OD1-N 2.9Å; D36-S44 PolarHBondContact OD1-OG 3.43Å; D36-S44 WeakPolarHBondContact OD2-CB 3.34Å; D36-S44 PolarHBondContact OD2-OG 3.03Å
37K97.3Very high96.7Very high174 Ų17445.8 Ų45.876%0.75723%0.229SC*.Hα-helixtrans-60.8-42.4175.1-176.1178.2179.1-179.70112.7E33 Q34 L35 S39 D40E33-K37 PolarHBondContact O-N 3.1Å; Q34-K37 PolarHBondContact O-N 3.5Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.1Å; K37-S39 VanDerWaalsContact C-N 3.28Å; K37-S39 PolarHBondContact O-N 3.16Å; K37-D40 PolarHBondContact O-N 3.35Å
38I95.3Very high96.6Very high43 Ų4347.1 Ų47.122%0.22123%0.234CC..Hα-helixtrans-62.6-41.3176.1-67.3158.4000109.9E11 Q34 L35 D36 D40 N67 V68E11-I38 HydrophobicContact CB-CD1 3.51Å; E11-I38 HydrophobicContact CB-CG1 4.47Å; Q34-I38 WeakPolarHBondContact O-CD1 3.43Å; Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.42Å; Q34-I38 PolarHBondContact O-N 3.08Å; L35-I38 PolarHBondContact O-N 3.17Å; D36-I38 PolarHBondContact O-N 3.4Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 3.1Å; I38-N67 HydrophobicContact CG2-CB 3.93Å; I38-N67 VanDerWaalsContact CG2-O 3.32Å; I38-N67 WeakPolarHBondContact CG2-O 3.07Å; I38-N67 WeakPolarHBondContact O-CB 3.14Å; I38-N67 PolarHBondContact O-ND2 3.48Å; I38-V68 HydrophobicContact CG2-CG2 4.04Å
39S96.8Very high96.5Very high3 Ų355.8 Ų55.82%0.02127%0.266CS..THydrogen-bonded Turntrans-84.117.5-179.670.90000115.2L35 D36 K37 G41 Y42 P66L35-S39 WeakPolarHBondContact O-CB 3.46Å; L35-S39 PolarHBondContact O-N 3.43Å; L35-S39 PolarHBondContact O-OG 3.29Å; L35-S39 VanDerWaalsContact O-OG 3.04Å; D36-S39 WeakPolarHBondContact CA-OG 3.22Å; D36-S39 CarbonylContact O-C 3.37Å; D36-S39 PolarHBondContact O-N 3.21Å; D36-S39 VanDerWaalsContact O-N 3.17Å; D36-S39 PolarHBondContact O-OG 3.02Å; K37-S39 VanDerWaalsContact C-N 3.28Å; K37-S39 PolarHBondContact O-N 3.16Å; S39-G41 VanDerWaalsContact C-N 3.28Å; S39-G41 PolarHBondContact O-N 2.92Å; S39-Y42 VanDerWaalsContact O-CB 3.24Å; S39-Y42 WeakPolarHBondContact O-CB 3.26Å; S39-Y42 PolarHBondContact O-N 2.96Å; S39-Y42 VanDerWaalsContact O-N 3.16Å; S39-P66 VanDerWaalsContact CA-O 3.28Å; S39-P66 WeakPolarHBondContact CA-O 2.96Å; S39-P66 VanDerWaalsContact CB-O 3.28Å; S39-P66 WeakPolarHBondContact CB-O 2.97Å
40D96.4Very high96.3Very high134 Ų13458 Ų5872%0.71729%0.289SS*.THydrogen-bonded Turntrans5438.2179.8-60.6-49.6000114.5D36 K37 I38 N67D36-D40 PolarHBondContact O-N 3.39Å; K37-D40 PolarHBondContact O-N 3.35Å; I38-D40 VanDerWaalsContact C-N 3.25Å; I38-D40 PolarHBondContact O-N 3.1Å; D40-N67 PolarHBondContact OD2-ND2 3.25Å
41G96.8Very high96.3Very high19 Ų1958.7 Ų58.720%0.19629%0.286CS..THydrogen-bonded Turntrans80.813.6177.800000114.8D36 S39 I43 S44 A45D36-G41 PolarHBondContact O-N 2.92Å; D36-G41 VanDerWaalsContact OD1-CA 3.23Å; D36-G41 WeakPolarHBondContact OD1-CA 3.33Å; S39-G41 VanDerWaalsContact C-N 3.28Å; S39-G41 PolarHBondContact O-N 2.92Å; G41-I43 PolarHBondContact O-N 2.86Å; G41-S44 PolarHBondContact O-OG 3.15Å; G41-A45 WeakPolarHBondContact O-CB 3.49Å; G41-A45 PolarHBondContact O-N 3.28Å
42Y97.6Very high96.3Very high85 Ų8558.4 Ų58.433%0.33328%0.284SS..Hα-helixtrans-57.8-46.7-179.9177.7-94.2000112.5D36 S39 A45 L46 L62 V65 P66D36-Y42 PolarHBondContact OD1-N 3.47Å; S39-Y42 VanDerWaalsContact O-CB 3.24Å; S39-Y42 WeakPolarHBondContact O-CB 3.26Å; S39-Y42 PolarHBondContact O-N 2.96Å; S39-Y42 VanDerWaalsContact O-N 3.16Å; Y42-A45 WeakPolarHBondContact O-CB 3.24Å; Y42-A45 PolarHBondContact O-N 3.44Å; Y42-L46 HydrophobicContact CD1-CD1 4.13Å; Y42-L46 HydrophobicContact CE1-CD1 3.55Å; Y42-L46 HydrophobicContact CE1-CG 4.36Å; Y42-L46 WeakPolarHBondContact O-CG 3.18Å; Y42-L46 PolarHBondContact O-N 3.1Å; Y42-L62 HydrophobicContact CE1-CD1 4.26Å; Y42-V65 HydrophobicContact CD1-CG1 3.82Å; Y42-V65 HydrophobicContact CD1-CG2 4.34Å; Y42-V65 HydrophobicContact CE1-CG1 4.35Å; Y42-V65 HydrophobicContact CE1-CG2 4.09Å; Y42-V65 HydrophobicContact CG-CG1 4.5Å; Y42-P66 HydrophobicContact CD2-CG 4.05Å; Y42-P66 HydrophobicContact CG-CG 4.3Å
43I97.4Very high96.3Very high0 Ų060.9 Ų60.90%030%0.296CS..Hα-helixtrans-66.7-48.2-176-55.6177.8000109.8L28 L35 D36 G41 A45 L46 L47 L62 I73 L75L28-I43 HydrophobicContact CD2-CG2 3.79Å; L35-I43 HydrophobicContact CB-CD1 3.84Å; D36-I43 HydrophobicContact CB-CB 4.19Å; D36-I43 HydrophobicContact CB-CD1 4.49Å; D36-I43 WeakPolarHBondContact OD1-CA 3.37Å; D36-I43 VanDerWaalsContact OD1-CB 3.31Å; D36-I43 WeakPolarHBondContact OD1-CB 3.47Å; D36-I43 PolarHBondContact OD1-N 2.8Å; G41-I43 PolarHBondContact O-N 2.86Å; I43-A45 PolarHBondContact O-N 3.26Å; I43-L46 PolarHBondContact O-N 2.83Å; I43-L46 VanDerWaalsContact O-N 3.16Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.92Å; I43-L47 VanDerWaalsContact O-N 3.1Å; I43-L62 HydrophobicContact CG1-CD1 4.28Å; I43-I73 HydrophobicContact CD1-CD1 4.31Å; I43-L75 HydrophobicContact CG2-CD1 3.77Å; I43-L75 HydrophobicContact CG2-CD2 4.13Å
44S97.1Very high96.3Very high23 Ų2356.3 Ų56.316%0.16128%0.275CS..Hα-helixtrans-65.5-28.9179.364.60000112.3D36 G41 L47 R48D36-S44 PolarHBondContact OD1-N 2.9Å; D36-S44 PolarHBondContact OD1-OG 3.43Å; D36-S44 WeakPolarHBondContact OD2-CB 3.34Å; D36-S44 PolarHBondContact OD2-OG 3.03Å; G41-S44 PolarHBondContact O-OG 3.15Å; S44-L47 PolarHBondContact O-N 2.95Å; S44-R48 VanDerWaalsContact CB-NH1 3.32Å; S44-R48 WeakPolarHBondContact O-CG 3.38Å; S44-R48 PolarHBondContact O-N 2.84Å; S44-R48 PolarHBondContact O-NH1 3.07Å; S44-R48 PolarHBondContact OG-NH1 2.96Å
45A97Very high96.2Very high29 Ų2957 Ų5724%0.2428%0.276CS..Hα-helixtrans-63.3-42172.200000112.6G41 Y42 I43 R48 R49G41-A45 WeakPolarHBondContact O-CB 3.49Å; G41-A45 PolarHBondContact O-N 3.28Å; Y42-A45 WeakPolarHBondContact O-CB 3.24Å; Y42-A45 PolarHBondContact O-N 3.44Å; I43-A45 PolarHBondContact O-N 3.26Å; A45-R48 PolarHBondContact O-N 3.23Å; A45-R49 WeakPolarHBondContact O-CG 3.31Å; A45-R49 PolarHBondContact O-N 2.94Å
46L96.7Very high96Very high13 Ų1359.9 Ų59.97%0.06830%0.295CS..Hα-helixtrans-65.1-42.3174.9-59.9175.8000111.4Y42 I43 R48 R49 G50 E51 L62Y42-L46 HydrophobicContact CD1-CD1 4.13Å; Y42-L46 HydrophobicContact CE1-CD1 3.55Å; Y42-L46 HydrophobicContact CE1-CG 4.36Å; Y42-L46 WeakPolarHBondContact O-CG 3.18Å; Y42-L46 PolarHBondContact O-N 3.1Å; I43-L46 PolarHBondContact O-N 2.83Å; I43-L46 VanDerWaalsContact O-N 3.16Å; L46-R48 PolarHBondContact O-N 2.84Å; L46-R49 WeakPolarHBondContact O-CB 3.25Å; L46-R49 PolarHBondContact O-N 3.4Å; L46-R49 VanDerWaalsContact O-N 3.13Å; L46-G50 PolarHBondContact O-N 2.87Å; L46-E51 WeakPolarHBondContact CD2-OE1 3.46Å; L46-E51 PolarHBondContact O-N 2.86Å; L46-L62 HydrophobicContact CD1-CD1 3.97Å; L46-L62 HydrophobicContact CD1-CD2 3.42Å; L46-L62 VanDerWaalsContact CD1-CD2 3.42Å; L46-L62 HydrophobicContact CD1-CG 4.35Å
47L96.5Very high95.7Very high4 Ų460.9 Ų60.92%0.02131%0.311CS..Hα-helixtrans-62.2-41.8175.8-60.7-169.5000111.9V22 R26 L28 I43 S44 R49 G50 L52 L75V22-L47 HydrophobicContact CG1-CD1 3.88Å; V22-L47 HydrophobicContact CG1-CD2 4.44Å; R26-L47 HydrophobicContact CB-CB 4.25Å; R26-L47 HydrophobicContact CB-CD1 4.48Å; R26-L47 WeakPolarHBondContact CD-O 3.41Å; R26-L47 HydrophobicContact CG-CB 4.46Å; R26-L47 PolarHBondContact NH1-O 3.04Å; R26-L47 WeakPolarHBondContact O-CD1 3.47Å; L28-L47 HydrophobicContact CD2-CD1 3.46Å; L28-L47 VanDerWaalsContact CD2-CD1 3.46Å; L28-L47 HydrophobicContact CG-CD1 4.03Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 2.92Å; I43-L47 VanDerWaalsContact O-N 3.1Å; S44-L47 PolarHBondContact O-N 2.95Å; L47-R49 PolarHBondContact O-N 2.91Å; L47-G50 PolarHBondContact O-N 2.64Å; L47-L52 HydrophobicContact CD2-CB 3.66Å; L47-L52 HydrophobicContact CD2-CD2 4.27Å; L47-L52 HydrophobicContact CD2-CG 4.48Å; L47-L75 HydrophobicContact CD2-CD1 4.37Å
48R95.4Very high95.7Very high160 Ų16055.7 Ų55.760%0.60429%0.289SS*.Hα-helixtrans-59.9-31175.5-76.9-172.2-63.1-84.31.8112.6R26 S44 A45 L46 G50R26-R48 PolarHBondContact NH1-O 3.11Å; S44-R48 VanDerWaalsContact CB-NH1 3.32Å; S44-R48 WeakPolarHBondContact O-CG 3.38Å; S44-R48 PolarHBondContact O-N 2.84Å; S44-R48 PolarHBondContact O-NH1 3.07Å; S44-R48 PolarHBondContact OG-NH1 2.96Å; A45-R48 PolarHBondContact O-N 3.23Å; L46-R48 PolarHBondContact O-N 2.84Å; R48-G50 VanDerWaalsContact C-N 3.26Å; R48-G50 PolarHBondContact O-N 3.35Å
49R94.6Very high95.8Very high195 Ų19555.8 Ų55.874%0.73629%0.292SS*.THydrogen-bonded Turntrans-76.5-7.6174.1-67.1174.8-176.6-172.60.9114.1A45 L46 L47A45-R49 WeakPolarHBondContact O-CG 3.31Å; A45-R49 PolarHBondContact O-N 2.94Å; L46-R49 WeakPolarHBondContact O-CB 3.25Å; L46-R49 PolarHBondContact O-N 3.4Å; L46-R49 VanDerWaalsContact O-N 3.13Å; L47-R49 PolarHBondContact O-N 2.91Å
50G93.1Very high95.8Very high49 Ų4957.1 Ų57.151%0.50530%0.299SS..THydrogen-bonded Turntrans88.317.5176.700000114.7L46 L47 R48 L52L46-G50 PolarHBondContact O-N 2.87Å; L47-G50 PolarHBondContact O-N 2.64Å; R48-G50 VanDerWaalsContact C-N 3.26Å; R48-G50 PolarHBondContact O-N 3.35Å; G50-L52 PolarHBondContact O-N 3.22Å
51E94.8Very high95.8Very high89 Ų8953 Ų5342%0.41628%0.276SS..SBendtrans-67.6-24.4-179.6-65.9-173.1-153.100113.4L46 L60L46-E51 WeakPolarHBondContact CD2-OE1 3.46Å; L46-E51 PolarHBondContact O-N 2.86Å; E51-L60 HydrophobicContact CB-CD2 3.8Å
52L95.9Very high95.8Very high4 Ų452.5 Ų52.52%0.02127%0.269CS..  trans-152.9132.7176.5-170.879.5000109.2V22 R26 L47 G50 Q58 L60 L75V22-L52 HydrophobicContact CB-CD2 3.87Å; V22-L52 HydrophobicContact CG1-CD2 4.21Å; V22-L52 HydrophobicContact CG2-CD2 3.78Å; R26-L52 WeakPolarHBondContact CG-O 3.3Å; L47-L52 HydrophobicContact CD2-CB 3.66Å; L47-L52 HydrophobicContact CD2-CD2 4.27Å; L47-L52 HydrophobicContact CD2-CG 4.48Å; G50-L52 PolarHBondContact O-N 3.22Å; L52-Q58 HydrophobicContact CD1-CB 3.47Å; L52-Q58 VanDerWaalsContact CD1-CB 3.47Å; L52-L60 HydrophobicContact CB-CB 4.37Å; L52-L60 HydrophobicContact CB-CD2 4.38Å; L52-L60 HydrophobicContact CD1-CB 4.22Å; L52-L60 HydrophobicContact CD2-CB 4.37Å; L52-L75 HydrophobicContact CD2-CB 3.69Å; L52-L75 HydrophobicContact CD2-CD1 4.26Å
53E96.2Very high95.7Very high52 Ų5253 Ų5324%0.24327%0.274CS..  trans-96.5-20.8179.5-169.857.8-153.100112.4P25 R26 K55P25-E53 WeakPolarHBondContact CA-OE1 3.47Å; P25-E53 WeakPolarHBondContact CB-OE1 3.23Å; R26-E53 WeakPolarHBondContact CD-OE2 3.31Å; R26-E53 WeakPolarHBondContact CG-OE2 3.37Å; R26-E53 PolarHBondContact N-O 2.82Å; R26-E53 IonicContact NE-OE1 3.89Å; R26-E53 IonicContact NE-OE2 3.31Å; R26-E53 PolarHBondContact NE-OE2 3.24Å; E53-K55 HydrophobicContact CB-CG 4.44Å; E53-K55 HydrophobicContact CG-CG 4.42Å
54G96.3Very high95.4Very high0 Ų060 Ų600%031%0.307CS..  trans9610.2-176.200000114.1V22 G77 C78 G79V22-G54 VanDerWaalsContact O-CA 3.3Å; V22-G54 WeakPolarHBondContact O-CA 3.18Å; G54-G77 CarbonylContact O-C 3.54Å; G54-G77 WeakPolarHBondContact O-CA 3.5Å; G54-C78 PolarHBondContact O-N 2.84Å; G54-C78 VanDerWaalsContact O-N 3.12Å; G54-G79 WeakPolarHBondContact O-CA 3.34Å; G54-G79 PolarHBondContact O-N 3.48Å
55K95.7Very high95.4Very high100 Ų10059.1 Ų59.144%0.43530%0.3SS..  trans-70.8149.8178.4-65.8-179.2178.8179.30111.8E53 G57 Q58 G77E53-K55 HydrophobicContact CB-CG 4.44Å; E53-K55 HydrophobicContact CG-CG 4.42Å; K55-G57 PolarHBondContact O-N 3.35Å; K55-Q58 HydrophobicContact CB-CG 4.06Å; K55-Q58 VanDerWaalsContact N-OE1 3.11Å; K55-Q58 WeakPolarHBondContact O-CB 3.1Å; K55-Q58 PolarHBondContact O-N 3.47Å; K55-Q58 VanDerWaalsContact O-N 3.12Å; K55-G77 WeakPolarHBondContact O-CA 3.37Å
56P91.9Very high95.3Very high60 Ų6060.4 Ų60.439%0.3931%0.306SS..THydrogen-bonded Turntrans-55.1136175.4-23.535.3000111.4Q58P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.89Å
57G90.8Very high95.2Very high43 Ų4364.7 Ų64.744%0.44333%0.329SS..THydrogen-bonded Turntrans88-11.9-178.800000115.1K55 K95K55-G57 PolarHBondContact O-N 3.35Å; G57-K95 VanDerWaalsContact O-CE 3.24Å; G57-K95 WeakPolarHBondContact O-CE 3.37Å
58Q96.7Very high95.1Very high65 Ų6565.3 Ų65.330%0.30433%0.333SS..  trans-79.8144.1172.1-61.1-173.4-35.300111.5L52 K55 P56 G77L52-Q58 HydrophobicContact CD1-CB 3.47Å; L52-Q58 VanDerWaalsContact CD1-CB 3.47Å; K55-Q58 HydrophobicContact CB-CG 4.06Å; K55-Q58 VanDerWaalsContact N-OE1 3.11Å; K55-Q58 WeakPolarHBondContact O-CB 3.1Å; K55-Q58 PolarHBondContact O-N 3.47Å; K55-Q58 VanDerWaalsContact O-N 3.12Å; P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.89Å; Q58-G77 PolarHBondContact O-N 3.13Å
59T97.3Very high94.9Very high45 Ų4562.2 Ų62.228%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-146.2141.7178.156.80000110.4L75 I76 K95 T99T59-L75 CarbonylContact C-O 3.43Å; T59-L75 VanDerWaalsContact CA-O 3.27Å; T59-L75 WeakPolarHBondContact CA-O 3.38Å; T59-I76 HydrophobicContact CG2-CD1 3.49Å; T59-I76 VanDerWaalsContact CG2-CD1 3.49Å; T59-K95 HydrophobicContact CG2-CD 4.16Å; T59-K95 VanDerWaalsContact CG2-CE 3.4Å; T59-K95 HydrophobicContact CG2-CG 3.65Å; T59-T99 HydrophobicContact CG2-CG2 4.42Å
60L97.3Very high94.8Very high31 Ų3153 Ų5316%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-131.9118.5172.4-178.862.8000109.3E51 L52 L62 L75E51-L60 HydrophobicContact CB-CD2 3.8Å; L52-L60 HydrophobicContact CB-CB 4.37Å; L52-L60 HydrophobicContact CB-CD2 4.38Å; L52-L60 HydrophobicContact CD1-CB 4.22Å; L52-L60 HydrophobicContact CD2-CB 4.37Å; L60-L62 HydrophobicContact CD1-CD2 4.42Å; L60-L62 HydrophobicContact CD2-CD2 3.88Å; L60-L62 HydrophobicContact CG-CD2 3.78Å; L60-L62 HydrophobicContact CG-CG 4.45Å; L60-L75 HydrophobicContact CB-CB 4.26Å; L60-L75 HydrophobicContact CB-CD1 4.39Å; L60-L75 HydrophobicContact CD2-CD1 4.16Å; L60-L75 PolarHBondContact N-O 3.26Å; L60-L75 PolarHBondContact O-N 2.74Å
61L96.8Very high94.8Very high47 Ų4756 Ų5625%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-95.7119.5176.3-17671.9000109.6H63 R72 L74 T103L61-H63 WeakPolarHBondContact CD2-NE2 3.18Å; L61-R72 HydrophobicContact CD1-CB 4.11Å; L61-L74 HydrophobicContact CB-CD1 4.47Å; L61-L74 HydrophobicContact CD1-CB 4.07Å; L61-L74 HydrophobicContact CD1-CD1 4.39Å; L61-T103 HydrophobicContact CD1-CG2 4.44Å; L61-T103 HydrophobicContact CD2-CG2 3.56Å
62L96.5Very high94.8Very high9 Ų953.9 Ų53.95%0.04728%0.283CS..EExtended strand (participates in β ladder)trans-104141177.1-53179.2000109.6Y42 I43 L46 L60 V65 R72 I73 L75Y42-L62 HydrophobicContact CE1-CD1 4.26Å; I43-L62 HydrophobicContact CG1-CD1 4.28Å; L46-L62 HydrophobicContact CD1-CD1 3.97Å; L46-L62 HydrophobicContact CD1-CD2 3.42Å; L46-L62 VanDerWaalsContact CD1-CD2 3.42Å; L46-L62 HydrophobicContact CD1-CG 4.35Å; L60-L62 HydrophobicContact CD1-CD2 4.42Å; L60-L62 HydrophobicContact CD2-CD2 3.88Å; L60-L62 HydrophobicContact CG-CD2 3.78Å; L60-L62 HydrophobicContact CG-CG 4.45Å; L62-V65 HydrophobicContact CB-CG2 3.52Å; L62-V65 HydrophobicContact CD1-CG2 4.01Å; L62-V65 HydrophobicContact CG-CG2 4.43Å; L62-R72 CarbonylContact O-C 3.54Å; L62-R72 WeakPolarHBondContact O-CA 3.31Å; L62-I73 HydrophobicContact CB-CB 4.4Å; L62-I73 PolarHBondContact N-O 2.97Å; L62-I73 PolarHBondContact O-N 2.89Å; L62-L75 HydrophobicContact CD1-CD1 4.08Å; L62-L75 HydrophobicContact CD1-CG 4.3Å
63H94.9Very high94.8Very high95 Ų9553.7 Ų53.744%0.4428%0.282SS..EExtended strand (participates in β ladder)trans-115.1140.3176.7-67.5-89.5000109.7L61 V65L61-H63 WeakPolarHBondContact CD2-NE2 3.18Å; H63-V65 VanDerWaalsContact C-N 3.29Å; H63-V65 PolarHBondContact O-N 3.44Å
64H92.3Very high94.9Very high148 Ų14851.2 Ų51.269%0.68527%0.27SS*.SBendtrans49.348.7174.1-54.9-63.2000113.4E71H64-E71 PolarHBondContact N-O 3.38Å
65V95.8Very high95Very high4 Ų451.2 Ų51.22%0.02427%0.27CS..  trans-60.1131.1176.9176.20000109Y42 L62 H63 N67 V68 I73Y42-V65 HydrophobicContact CD1-CG1 3.82Å; Y42-V65 HydrophobicContact CD1-CG2 4.34Å; Y42-V65 HydrophobicContact CE1-CG1 4.35Å; Y42-V65 HydrophobicContact CE1-CG2 4.09Å; Y42-V65 HydrophobicContact CG-CG1 4.5Å; L62-V65 HydrophobicContact CB-CG2 3.52Å; L62-V65 HydrophobicContact CD1-CG2 4.01Å; L62-V65 HydrophobicContact CG-CG2 4.43Å; H63-V65 VanDerWaalsContact C-N 3.29Å; H63-V65 PolarHBondContact O-N 3.44Å; V65-N67 PolarHBondContact O-N 2.86Å; V65-V68 HydrophobicContact CB-CB 4.32Å; V65-V68 HydrophobicContact CB-CG2 4.37Å; V65-V68 HydrophobicContact CG1-CB 4.44Å; V65-V68 HydrophobicContact CG1-CG2 3.97Å; V65-V68 PolarHBondContact O-N 3.11Å; V65-I73 HydrophobicContact CB-CD1 3.77Å; V65-I73 HydrophobicContact CB-CG1 4.39Å; V65-I73 HydrophobicContact CG1-CD1 3.92Å; V65-I73 HydrophobicContact CG2-CB 4.37Å; V65-I73 HydrophobicContact CG2-CD1 3.69Å; V65-I73 HydrophobicContact CG2-CG1 3.98Å
66P95.4Very high95.1Very high55 Ų5546.5 Ų46.536%0.35725%0.25SC..THydrogen-bonded Turntrans-51.3140.2-176.9-28.635.4000112.7S39 Y42 V68S39-P66 VanDerWaalsContact CA-O 3.28Å; S39-P66 WeakPolarHBondContact CA-O 2.96Å; S39-P66 VanDerWaalsContact CB-O 3.28Å; S39-P66 WeakPolarHBondContact CB-O 2.97Å; Y42-P66 HydrophobicContact CD2-CG 4.05Å; Y42-P66 HydrophobicContact CG-CG 4.3Å; P66-V68 PolarHBondContact O-N 3.24Å
67N94.8Very high95.4Very high104 Ų10443.7 Ų43.756%0.55623%0.231SC*.THydrogen-bonded Turntrans59.40.5177.6-48.9-36.2000116.3I38 D40 V65I38-N67 HydrophobicContact CG2-CB 3.93Å; I38-N67 VanDerWaalsContact CG2-O 3.32Å; I38-N67 WeakPolarHBondContact CG2-O 3.07Å; I38-N67 WeakPolarHBondContact O-CB 3.14Å; I38-N67 PolarHBondContact O-ND2 3.48Å; D40-N67 PolarHBondContact OD2-ND2 3.25Å; V65-N67 PolarHBondContact O-N 2.86Å
68V94.2Very high95.7Very high17 Ų1741.6 Ų41.610%0.10321%0.21CC..  trans-95.5130.5176.7178.30000109.6I18 L35 I38 V65 P66 S70 I73I18-V68 HydrophobicContact CD1-CG1 4.25Å; L35-V68 HydrophobicContact CD2-CG1 4.05Å; L35-V68 HydrophobicContact CD2-CG2 4.02Å; I38-V68 HydrophobicContact CG2-CG2 4.04Å; V65-V68 HydrophobicContact CB-CB 4.32Å; V65-V68 HydrophobicContact CB-CG2 4.37Å; V65-V68 HydrophobicContact CG1-CB 4.44Å; V65-V68 HydrophobicContact CG1-CG2 3.97Å; V65-V68 PolarHBondContact O-N 3.11Å; P66-V68 PolarHBondContact O-N 3.24Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.29Å; V68-I73 HydrophobicContact CB-CD1 4.32Å; V68-I73 HydrophobicContact CG1-CD1 3.95Å; V68-I73 HydrophobicContact CG1-CG1 4.41Å; V68-I73 HydrophobicContact CG2-CD1 4.12Å
69L92.6Very high95.7Very high95 Ų9538.6 Ų38.650%0.49720%0.196SC..SBendtrans-73.2-21.6-176.2-63.3-179.9000114.4E11 R14E11-L69 WeakPolarHBondContact O-CD1 3.48Å; R14-L69 HydrophobicContact CG-CB 4.22Å; R14-L69 HydrophobicContact CG-CD1 4.09Å
70S92Very high95.6Very high2 Ų240.8 Ų40.81%0.01420%0.202CC..SBendtrans-75.8138.7178.2177.60000110.9Q13 S15 I18 V68 R72Q13-S70 PolarHBondContact O-N 2.97Å; S15-S70 PolarHBondContact O-OG 2.98Å; I18-S70 VanDerWaalsContact CD1-CB 3.46Å; I18-S70 PolarHBondContact N-OG 3.27Å; V68-S70 VanDerWaalsContact C-N 3.33Å; V68-S70 PolarHBondContact O-N 3.29Å; S70-R72 PolarHBondContact O-N 3.11Å; S70-R72 PolarHBondContact OG-O 2.82Å
71E92.1Very high95.5Very high112 Ų11242.1 Ų42.152%0.52321%0.207SC..SBendtrans-62.6-31.5178.6-66.1-177.217900112.6H64H64-E71 PolarHBondContact N-O 3.38Å
72R95.1Very high95.3Very high44 Ų4451.5 Ų51.517%0.16624%0.239CC..EExtended strand (participates in β ladder)trans-136.9147.2-174.3-53.2170.8-170.9-170.6-10.7111.8A16 C17 I18 L61 L62 S70 T103 S105A16-R72 WeakPolarHBondContact O-CB 3.26Å; A16-R72 WeakPolarHBondContact O-CG 3.03Å; A16-R72 PolarHBondContact O-N 3.43Å; C17-R72 WeakPolarHBondContact CA-O 3.46Å; C17-R72 HydrophobicContact CB-CB 4.14Å; I18-R72 PolarHBondContact N-O 2.9Å; L61-R72 HydrophobicContact CD1-CB 4.11Å; L62-R72 CarbonylContact O-C 3.54Å; L62-R72 WeakPolarHBondContact O-CA 3.31Å; S70-R72 PolarHBondContact O-N 3.11Å; S70-R72 PolarHBondContact OG-O 2.82Å; R72-T103 PolarHBondContact NH1-O 3.02Å; R72-S105 PolarHBondContact NH1-OG 3.43Å
73I96.3Very high95.2Very high0 Ų055.8 Ų55.80%026%0.259CS..EExtended strand (participates in β ladder)trans-125.8123.2166.3-53.3-177.6000108I18 V20 L35 I43 L62 V65 V68 L75I18-I73 CarbonylContact O-C 3.56Å; I18-I73 WeakPolarHBondContact O-CA 3.37Å; V20-I73 HydrophobicContact CG2-CG2 4.08Å; L35-I73 HydrophobicContact CD1-CD1 4.3Å; L35-I73 HydrophobicContact CD1-CG2 4.37Å; L35-I73 HydrophobicContact CD2-CD1 4.32Å; I43-I73 HydrophobicContact CD1-CD1 4.31Å; L62-I73 HydrophobicContact CB-CB 4.4Å; L62-I73 PolarHBondContact N-O 2.97Å; L62-I73 PolarHBondContact O-N 2.89Å; V65-I73 HydrophobicContact CB-CD1 3.77Å; V65-I73 HydrophobicContact CB-CG1 4.39Å; V65-I73 HydrophobicContact CG1-CD1 3.92Å; V65-I73 HydrophobicContact CG2-CB 4.37Å; V65-I73 HydrophobicContact CG2-CD1 3.69Å; V65-I73 HydrophobicContact CG2-CG1 3.98Å; V68-I73 HydrophobicContact CB-CD1 4.32Å; V68-I73 HydrophobicContact CG1-CD1 3.95Å; V68-I73 HydrophobicContact CG1-CG1 4.41Å; V68-I73 HydrophobicContact CG2-CD1 4.12Å; I73-L75 HydrophobicContact CG2-CD2 3.95Å
74L97.4Very high95.2Very high0 Ų051.3 Ų51.30%024%0.239CC..EExtended strand (participates in β ladder)trans-101.2110.9174.2175.957.8000109I18 V19 V20 L61 I76 T99 L100I18-L74 PolarHBondContact O-N 3.09Å; V19-L74 WeakPolarHBondContact CA-O 3.5Å; V19-L74 HydrophobicContact CG2-CB 4.35Å; V19-L74 HydrophobicContact CG2-CD2 4.34Å; V20-L74 PolarHBondContact N-O 3.35Å; L61-L74 HydrophobicContact CB-CD1 4.47Å; L61-L74 HydrophobicContact CD1-CB 4.07Å; L61-L74 HydrophobicContact CD1-CD1 4.39Å; L74-I76 HydrophobicContact CD1-CD1 3.9Å; L74-I76 HydrophobicContact CD2-CD1 3.84Å; L74-I76 HydrophobicContact CG-CD1 3.62Å; L74-I76 HydrophobicContact CG-CG1 4.15Å; L74-T99 HydrophobicContact CD1-CG2 3.92Å; L74-T99 HydrophobicContact CD2-CG2 4.18Å; L74-L100 HydrophobicContact CD2-CD2 3.61Å; L74-L100 HydrophobicContact CD2-CG 3.68Å
75L98.3Very high95.3Very high0 Ų047.5 Ų47.50%022%0.223CC..EExtended strand (participates in β ladder)trans-84.8130170.9-52.6-176.7000109.2V20 V22 I43 L47 L52 T59 L60 L62 I73V20-L75 HydrophobicContact CG2-CD2 3.51Å; V22-L75 HydrophobicContact CG2-CB 4.03Å; V22-L75 HydrophobicContact CG2-CD1 4.38Å; V22-L75 HydrophobicContact CG2-CD2 4.39Å; I43-L75 HydrophobicContact CG2-CD1 3.77Å; I43-L75 HydrophobicContact CG2-CD2 4.13Å; L47-L75 HydrophobicContact CD2-CD1 4.37Å; L52-L75 HydrophobicContact CD2-CB 3.69Å; L52-L75 HydrophobicContact CD2-CD1 4.26Å; T59-L75 CarbonylContact C-O 3.43Å; T59-L75 VanDerWaalsContact CA-O 3.27Å; T59-L75 WeakPolarHBondContact CA-O 3.38Å; L60-L75 HydrophobicContact CB-CB 4.26Å; L60-L75 HydrophobicContact CB-CD1 4.39Å; L60-L75 HydrophobicContact CD2-CD1 4.16Å; L60-L75 PolarHBondContact N-O 3.26Å; L60-L75 PolarHBondContact O-N 2.74Å; L62-L75 HydrophobicContact CD1-CD1 4.08Å; L62-L75 HydrophobicContact CD1-CG 4.3Å; I73-L75 HydrophobicContact CG2-CD2 3.95Å
76I98.1Very high95.3Very high1 Ų149.8 Ų49.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-117.7128.9179.4-58-65.3000109.7V19 V20 G21 V22 T59 L74 C78 V92 T96 L112V19-I76 HydrophobicContact CG1-CG1 3.68Å; V20-I76 PolarHBondContact O-N 2.81Å; G21-I76 CarbonylContact C-O 3.52Å; G21-I76 WeakPolarHBondContact CA-O 3.48Å; V22-I76 PolarHBondContact N-O 3.45Å; T59-I76 HydrophobicContact CG2-CD1 3.49Å; T59-I76 VanDerWaalsContact CG2-CD1 3.49Å; L74-I76 HydrophobicContact CD1-CD1 3.9Å; L74-I76 HydrophobicContact CD2-CD1 3.84Å; L74-I76 HydrophobicContact CG-CD1 3.62Å; L74-I76 HydrophobicContact CG-CG1 4.15Å; I76-C78 PolarHBondContact O-N 2.94Å; I76-C78 PolarHBondContact O-SG 3.33Å; I76-V92 HydrophobicContact CG2-CG1 3.85Å; I76-T96 HydrophobicContact CG1-CG2 4.5Å; I76-T96 WeakPolarHBondContact CG1-OG1 3.39Å; I76-L112 HydrophobicContact CB-CD2 4.49Å; I76-L112 HydrophobicContact CG1-CD1 4.38Å
77G98Very high95.2Very high0 Ų055.8 Ų55.80%025%0.249CC..EExtended strand (participates in β ladder)trans-72121.4172.600000111.7V22 G54 K55 Q58V22-G77 WeakPolarHBondContact O-CA 3.3Å; G54-G77 CarbonylContact O-C 3.54Å; G54-G77 WeakPolarHBondContact O-CA 3.5Å; K55-G77 WeakPolarHBondContact O-CA 3.37Å; Q58-G77 PolarHBondContact O-N 3.13Å
78C97.3Very high95.2Very high0 Ų052.7 Ų52.70%023%0.231CC..  trans-104.6-0.9-174-62.50000114.1G21 V22 F23 G54 I76 V92 L115G21-C78 VanDerWaalsContact CA-SG 3.58Å; V22-C78 PolarHBondContact O-N 2.9Å; F23-C78 HydrophobicContact CD1-CB 3.65Å; F23-C78 HydrophobicContact CE1-CB 3.68Å; G54-C78 PolarHBondContact O-N 2.84Å; G54-C78 VanDerWaalsContact O-N 3.12Å; I76-C78 PolarHBondContact O-N 2.94Å; I76-C78 PolarHBondContact O-SG 3.33Å; C78-V92 HydrophobicContact CB-CG2 4.48Å; C78-L115 HydrophobicContact CB-CD1 4.4Å; C78-L115 VanDerWaalsContact SG-CD1 3.58Å
79G96.4Very high95.4Very high2 Ų251.9 Ų51.92%0.02123%0.227CC..  trans74.9-158.9-171.400000112.4F23 E24 G54F23-G79 CarbonylContact C-O 3.58Å; F23-G79 WeakPolarHBondContact CA-O 3.43Å; F23-G79 WeakPolarHBondContact CB-O 3.47Å; F23-G79 WeakPolarHBondContact CD1-O 3.24Å; E24-G79 PolarHBondContact N-O 2.66Å; G54-G79 WeakPolarHBondContact O-CA 3.34Å; G54-G79 PolarHBondContact O-N 3.48Å
80K95.9Very high95.6Very high91 Ų9149.9 Ų49.940%0.39621%0.214SC..  trans-76.2129.9179.1-65167.1-176.6173.90109.9E24 R82 E83 L84E24-K80 HydrophobicContact CB-CG 4.2Å; K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 PolarHBondContact O-N 3.09Å; K80-R82 VanDerWaalsContact O-N 3.17Å; K80-E83 HydrophobicContact CB-CB 4.17Å; K80-E83 HydrophobicContact CB-CG 4.14Å; K80-E83 HydrophobicContact CD-CG 4.24Å; K80-E83 WeakPolarHBondContact CD-OE1 3.49Å; K80-E83 WeakPolarHBondContact CD-OE2 3.37Å; K80-E83 IonicContact NZ-OE1 2.84Å; K80-E83 PolarHBondContact NZ-OE1 3.07Å; K80-E83 IonicContact NZ-OE2 3.73Å; K80-E83 PolarHBondContact O-N 3.36Å; K80-L84 PolarHBondContact O-N 3.04Å
81E94.3Very high95.8Very high59 Ų5953.7 Ų53.728%0.27623%0.231SC..G310 helixtrans-53.7-41.4-175.2-174.9177.7-154.300113.7F23 R27 E83F23-E81 HydrophobicContact CB-CB 4.23Å; F23-E81 VanDerWaalsContact CD1-CA 3.48Å; F23-E81 HydrophobicContact CD1-CB 3.72Å; F23-E81 HydrophobicContact CD1-CG 4.25Å; F23-E81 HydrophobicContact CD2-CB 4.04Å; F23-E81 HydrophobicContact CD2-CG 4.09Å; F23-E81 HydrophobicContact CE1-CB 3.96Å; F23-E81 HydrophobicContact CE1-CG 4.03Å; F23-E81 HydrophobicContact CE2-CB 4.25Å; F23-E81 HydrophobicContact CE2-CG 3.84Å; F23-E81 HydrophobicContact CG-CB 3.75Å; F23-E81 HydrophobicContact CG-CG 4.27Å; F23-E81 HydrophobicContact CZ-CB 4.2Å; F23-E81 HydrophobicContact CZ-CG 3.8Å; R27-E81 IonicContact CZ-OE2 3.23Å; R27-E81 VanDerWaalsContact CZ-OE2 3.23Å; R27-E81 IonicContact NE-OE2 4Å; R27-E81 IonicContact NH1-OE2 2.62Å; R27-E81 PolarHBondContact NH1-OE2 2.98Å; R27-E81 IonicContact NH2-OE2 3.64Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 3.4Å
82R93.3Very high96Very high243 Ų24348.5 Ų48.592%0.91721%0.207SC*.G310 helixtrans-75.8-13.6-179.5-64.9-176.9179.3173.9-0.5114.2K80K80-R82 VanDerWaalsContact C-N 3.28Å; K80-R82 PolarHBondContact O-N 3.09Å; K80-R82 VanDerWaalsContact O-N 3.17Å
83E93.6Very high96.2Very high99 Ų9946.5 Ų46.546%0.46320%0.2SC..G310 helixtrans-102.4-2.4-178.3-63.1179.9-162.800112.3K80 E81 D85 Q88K80-E83 HydrophobicContact CB-CB 4.17Å; K80-E83 HydrophobicContact CB-CG 4.14Å; K80-E83 HydrophobicContact CD-CG 4.24Å; K80-E83 WeakPolarHBondContact CD-OE1 3.49Å; K80-E83 WeakPolarHBondContact CD-OE2 3.37Å; K80-E83 IonicContact NZ-OE1 2.84Å; K80-E83 PolarHBondContact NZ-OE1 3.07Å; K80-E83 IonicContact NZ-OE2 3.73Å; K80-E83 PolarHBondContact O-N 3.36Å; E81-E83 VanDerWaalsContact C-N 3.28Å; E81-E83 PolarHBondContact O-N 3.4Å; E83-D85 PolarHBondContact O-N 3.38Å; E83-Q88 PolarHBondContact O-OE1 2.83Å
84L95.1Very high96.2Very high2 Ų250.9 Ų50.91%0.0122%0.22CC..  trans-6596.7-178.3-173.364.7000111.3F23 K80 Q88 L115 V117 K118F23-L84 HydrophobicContact CE1-CD2 4.22Å; K80-L84 PolarHBondContact O-N 3.04Å; L84-Q88 HydrophobicContact CD1-CB 3.82Å; L84-L115 HydrophobicContact CD2-CB 3.86Å; L84-L115 HydrophobicContact CD2-CD1 4.11Å; L84-V117 HydrophobicContact CD2-CG2 3.94Å; L84-V117 HydrophobicContact CG-CG2 4.16Å; L84-K118 PolarHBondContact O-N 2.92Å; L84-K118 VanDerWaalsContact O-N 3.08Å
85D95.3Very high96.2Very high67 Ų6754.4 Ų54.436%0.35824%0.236SC..  trans-99.7-177.9175.773.613.3000111.9E83 R87 Q88 Y89E83-D85 PolarHBondContact O-N 3.38Å; D85-R87 VanDerWaalsContact C-N 3.33Å; D85-R87 PolarHBondContact O-N 2.99Å; D85-R87 WeakPolarHBondContact OD1-CB 3.26Å; D85-R87 PolarHBondContact OD1-N 2.95Å; D85-Q88 PolarHBondContact O-N 3.3Å; D85-Q88 WeakPolarHBondContact OD1-CB 3.49Å; D85-Q88 WeakPolarHBondContact OD1-CG 3.1Å; D85-Q88 PolarHBondContact OD1-N 3.28Å; D85-Y89 VanDerWaalsContact O-CB 3.31Å; D85-Y89 WeakPolarHBondContact O-CB 3.46Å; D85-Y89 PolarHBondContact O-N 3.09Å
86E94.9Very high96.1Very high52 Ų5254.4 Ų54.424%0.24324%0.236CC..Hα-helixtrans-62.4-39.4-178.5-60.6170.2-148.600113.1Y89 K90 R120 W124E86-Y89 PolarHBondContact O-N 2.68Å; E86-K90 WeakPolarHBondContact O-CG 3.27Å; E86-K90 PolarHBondContact O-N 3.5Å; E86-R120 HydrophobicContact CG-CG 4Å; E86-R120 IonicContact OE1-CZ 3.75Å; E86-R120 IonicContact OE1-NE 3.76Å; E86-R120 PolarHBondContact OE1-NE 2.83Å; E86-R120 IonicContact OE1-NH2 3.14Å; E86-R120 PolarHBondContact OE1-NH2 3.18Å; E86-R120 IonicContact OE2-CZ 3.59Å; E86-R120 IonicContact OE2-NE 2.75Å; E86-R120 IonicContact OE2-NH2 3.79Å; E86-R120 PolarHBondContact OE2-NH2 2.99Å; E86-W124 HydrophobicContact CB-CH2 3.55Å; E86-W124 HydrophobicContact CB-CZ2 3.78Å; E86-W124 HydrophobicContact CG-CH2 3.52Å; E86-W124 HydrophobicContact CG-CZ2 3.52Å; E86-W124 HydrophobicContact CG-CZ3 4.39Å
87R93.9Very high96Very high182 Ų18254.5 Ų54.569%0.68724%0.236SC*.Hα-helixtrans-67.8-47.5-178.7178.9-176.3176.7-174.91109.8D85 Y89 K90 Q91D85-R87 VanDerWaalsContact C-N 3.33Å; D85-R87 PolarHBondContact O-N 2.99Å; D85-R87 WeakPolarHBondContact OD1-CB 3.26Å; D85-R87 PolarHBondContact OD1-N 2.95Å; R87-Y89 VanDerWaalsContact C-N 3.33Å; R87-K90 PolarHBondContact O-N 2.85Å; R87-Q91 WeakPolarHBondContact O-CG 3.5Å; R87-Q91 PolarHBondContact O-N 3.2Å
88Q95.3Very high95.8Very high39 Ų3957.6 Ų57.618%0.18225%0.253CS..Hα-helixtrans-63-40.8176.3-71.7-174.3-10.500111E83 L84 D85 K90 Q91 V92E83-Q88 PolarHBondContact O-OE1 2.83Å; L84-Q88 HydrophobicContact CD1-CB 3.82Å; D85-Q88 PolarHBondContact O-N 3.3Å; D85-Q88 WeakPolarHBondContact OD1-CB 3.49Å; D85-Q88 WeakPolarHBondContact OD1-CG 3.1Å; D85-Q88 PolarHBondContact OD1-N 3.28Å; Q88-K90 PolarHBondContact O-N 3.34Å; Q88-Q91 WeakPolarHBondContact O-CB 3.47Å; Q88-Q91 PolarHBondContact O-N 2.76Å; Q88-V92 WeakPolarHBondContact O-CB 3.34Å; Q88-V92 VanDerWaalsContact O-CG2 3.31Å; Q88-V92 WeakPolarHBondContact O-CG2 3.5Å; Q88-V92 PolarHBondContact O-N 2.98Å
89Y97.3Very high95.7Very high0 Ų058.4 Ų58.40%026%0.258CS..Hα-helixtrans-58.3-48.1175-175.8-105.5000112.1D85 E86 R87 Q91 V92 I93 L112 T113 V117 W124 K125 Q128D85-Y89 VanDerWaalsContact O-CB 3.31Å; D85-Y89 WeakPolarHBondContact O-CB 3.46Å; D85-Y89 PolarHBondContact O-N 3.09Å; E86-Y89 PolarHBondContact O-N 2.68Å; R87-Y89 VanDerWaalsContact C-N 3.33Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 2.8Å; Y89-V92 WeakPolarHBondContact O-CB 3.37Å; Y89-V92 PolarHBondContact O-N 2.81Å; Y89-I93 HydrophobicContact CD1-CG1 4.37Å; Y89-I93 HydrophobicContact CE1-CD1 4.49Å; Y89-I93 HydrophobicContact CE1-CG1 3.96Å; Y89-I93 HydrophobicContact CE2-CD1 4.31Å; Y89-I93 HydrophobicContact CE2-CG1 4.36Å; Y89-I93 WeakPolarHBondContact O-CG1 3.34Å; Y89-I93 PolarHBondContact O-N 2.93Å; Y89-L112 WeakPolarHBondContact CE2-O 3.23Å; Y89-T113 WeakPolarHBondContact OH-CG2 3.34Å; Y89-V117 HydrophobicContact CD2-CG2 3.53Å; Y89-V117 HydrophobicContact CE2-CG2 4.15Å; Y89-V117 HydrophobicContact CG-CG2 3.84Å; Y89-W124 HydrophobicContact CD1-CH2 4.29Å; Y89-W124 AromaticContact CD1-CZ3 3.68Å; Y89-W124 HydrophobicContact CD1-CZ3 3.68Å; Y89-W124 HydrophobicContact CE1-CZ3 4.21Å; Y89-W124 HydrophobicContact CG-CZ3 4.37Å; Y89-K125 HydrophobicContact CE1-CB 4.15Å; Y89-K125 HydrophobicContact CE1-CG 4.22Å; Y89-K125 WeakPolarHBondContact CE1-O 3.42Å; Y89-K125 HydrophobicContact CE2-CD 4.48Å; Y89-K125 HydrophobicContact CE2-CG 4.38Å; Y89-K125 PolarHBondContact OH-O 3.2Å; Y89-Q128 HydrophobicContact CE1-CB 4.47Å
90K96.6Very high95.6Very high52 Ų5258.3 Ų58.323%0.22626%0.257CS..Hα-helixtrans-61-40.8175.4-67-176.1-164-156.60111.8E86 R87 Q88 V92 I93 Q94 T132 S413E86-K90 WeakPolarHBondContact O-CG 3.27Å; E86-K90 PolarHBondContact O-N 3.5Å; R87-K90 PolarHBondContact O-N 2.85Å; Q88-K90 PolarHBondContact O-N 3.34Å; K90-V92 PolarHBondContact O-N 3.25Å; K90-I93 PolarHBondContact O-N 3.08Å; K90-Q94 WeakPolarHBondContact O-CB 3.39Å; K90-Q94 PolarHBondContact O-N 3.38Å; K90-T132 WeakPolarHBondContact O-CG2 3.37Å; K90-S413 PolarHBondContact NZ-O 3.01Å
91Q96.3Very high95.3Very high82 Ų8255.4 Ų55.438%0.38325%0.245SC..Hα-helixtrans-62.9-41175.6-72.1174-26.200112.6R87 Q88 Y89 Q94 K95R87-Q91 WeakPolarHBondContact O-CG 3.5Å; R87-Q91 PolarHBondContact O-N 3.2Å; Q88-Q91 WeakPolarHBondContact O-CB 3.47Å; Q88-Q91 PolarHBondContact O-N 2.76Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 2.8Å; Q91-Q94 PolarHBondContact O-N 2.87Å; Q91-K95 WeakPolarHBondContact O-CB 3.47Å; Q91-K95 PolarHBondContact O-N 2.85Å
92V97.7Very high95.1Very high3 Ų359 Ų592%0.01827%0.267CS..Hα-helixtrans-61.5-47175.5161.50000110.8I76 C78 Q88 Y89 K90 K95 T96 L112I76-V92 HydrophobicContact CG2-CG1 3.85Å; C78-V92 HydrophobicContact CB-CG2 4.48Å; Q88-V92 WeakPolarHBondContact O-CB 3.34Å; Q88-V92 VanDerWaalsContact O-CG2 3.31Å; Q88-V92 WeakPolarHBondContact O-CG2 3.5Å; Q88-V92 PolarHBondContact O-N 2.98Å; Y89-V92 WeakPolarHBondContact O-CB 3.37Å; Y89-V92 PolarHBondContact O-N 2.81Å; K90-V92 PolarHBondContact O-N 3.25Å; V92-K95 PolarHBondContact O-N 3.26Å; V92-T96 WeakPolarHBondContact O-CB 3.33Å; V92-T96 PolarHBondContact O-N 3.37Å; V92-T96 PolarHBondContact O-OG1 2.85Å; V92-L112 HydrophobicContact CG1-CD1 3.89Å
93I97.9Very high94.8Very high2 Ų249.1 Ų49.11%0.0123%0.233CC..Hα-helixtrans-63.9-45.8175.8-62.6-60.3000111.1Y89 K90 K95 T96 I97 L112 A129 T132Y89-I93 HydrophobicContact CD1-CG1 4.37Å; Y89-I93 HydrophobicContact CE1-CD1 4.49Å; Y89-I93 HydrophobicContact CE1-CG1 3.96Å; Y89-I93 HydrophobicContact CE2-CD1 4.31Å; Y89-I93 HydrophobicContact CE2-CG1 4.36Å; Y89-I93 WeakPolarHBondContact O-CG1 3.34Å; Y89-I93 PolarHBondContact O-N 2.93Å; K90-I93 PolarHBondContact O-N 3.08Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 2.55Å; I93-T96 VanDerWaalsContact O-CB 3.32Å; I93-T96 WeakPolarHBondContact O-CB 3.21Å; I93-T96 PolarHBondContact O-N 3.25Å; I93-T96 VanDerWaalsContact O-N 3.12Å; I93-I97 HydrophobicContact CG2-CG1 4.1Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 2.99Å; I93-I97 PolarHBondContact O-N 2.71Å; I93-L112 HydrophobicContact CD1-CB 4.21Å; I93-L112 HydrophobicContact CD1-CD1 4.09Å; I93-A129 HydrophobicContact CD1-CB 3.98Å; I93-A129 HydrophobicContact CG1-CB 4.13Å; I93-A129 HydrophobicContact CG2-CB 4.34Å; I93-T132 HydrophobicContact CB-CG2 3.98Å; I93-T132 HydrophobicContact CG2-CG2 3.81Å
94Q96.9Very high94.2Very high92 Ų9245.2 Ų45.243%0.4322%0.22SC..Hα-helixtrans-56.7-47177.9179.4175.23600111.6K90 Q91 T96 I97 N98 T132 T136K90-Q94 WeakPolarHBondContact O-CB 3.39Å; K90-Q94 PolarHBondContact O-N 3.38Å; Q91-Q94 PolarHBondContact O-N 2.87Å; Q94-T96 VanDerWaalsContact C-N 3.33Å; Q94-T96 PolarHBondContact O-N 3.49Å; Q94-I97 PolarHBondContact O-N 3.14Å; Q94-N98 PolarHBondContact O-N 3.39Å; Q94-N98 PolarHBondContact O-ND2 2.82Å; Q94-T132 HydrophobicContact CB-CG2 4.05Å; Q94-T136 HydrophobicContact CG-CG2 4.08Å
95K97.1Very high93.9Very high74 Ų7445.2 Ų45.232%0.32222%0.22SC..Hα-helixtrans-63.5-40.5176.9-179.461.2-175178.40111.7G57 T59 Q91 V92 I93 T99G57-K95 VanDerWaalsContact O-CE 3.24Å; G57-K95 WeakPolarHBondContact O-CE 3.37Å; T59-K95 HydrophobicContact CG2-CD 4.16Å; T59-K95 VanDerWaalsContact CG2-CE 3.4Å; T59-K95 HydrophobicContact CG2-CG 3.65Å; Q91-K95 WeakPolarHBondContact O-CB 3.47Å; Q91-K95 PolarHBondContact O-N 2.85Å; V92-K95 PolarHBondContact O-N 3.26Å; I93-K95 VanDerWaalsContact C-N 3.33Å; I93-K95 PolarHBondContact O-N 2.55Å; K95-T99 WeakPolarHBondContact CE-OG1 3.31Å; K95-T99 WeakPolarHBondContact O-CB 3.28Å; K95-T99 PolarHBondContact O-N 2.93Å; K95-T99 PolarHBondContact O-OG1 2.94Å
96T97.3Very high93.7Very high1 Ų146 Ų461%0.00622%0.223CC..Hα-helixtrans-58.1-49.8176.4-60.10000111.2V19 I76 V92 I93 Q94 T99 L100 L112V19-T96 HydrophobicContact CB-CG2 4.47Å; V19-T96 HydrophobicContact CG1-CG2 3.66Å; V19-T96 HydrophobicContact CG2-CG2 4.16Å; I76-T96 HydrophobicContact CG1-CG2 4.5Å; I76-T96 WeakPolarHBondContact CG1-OG1 3.39Å; V92-T96 WeakPolarHBondContact O-CB 3.33Å; V92-T96 PolarHBondContact O-N 3.37Å; V92-T96 PolarHBondContact O-OG1 2.85Å; I93-T96 VanDerWaalsContact O-CB 3.32Å; I93-T96 WeakPolarHBondContact O-CB 3.21Å; I93-T96 PolarHBondContact O-N 3.25Å; I93-T96 VanDerWaalsContact O-N 3.12Å; Q94-T96 VanDerWaalsContact C-N 3.33Å; Q94-T96 PolarHBondContact O-N 3.49Å; T96-T99 PolarHBondContact O-N 2.98Å; T96-L100 HydrophobicContact CG2-CD1 3.93Å; T96-L100 HydrophobicContact CG2-CG 4.43Å; T96-L100 WeakPolarHBondContact O-CB 3.22Å; T96-L100 WeakPolarHBondContact O-CG 3.45Å; T96-L100 PolarHBondContact O-N 3.1Å; T96-L112 HydrophobicContact CG2-CD1 4.16Å; T96-L112 VanDerWaalsContact OG1-CD1 3.28Å; T96-L112 WeakPolarHBondContact OG1-CD1 3.37Å
97I95.9Very high93.6Very high2 Ų246.6 Ų46.61%0.0123%0.225CC..Hα-helixtrans-66.7-46.2-176.5-64.6-66.2000111.4M1 I93 Q94 T99 L100 N101 A133 T136 L137 L154 M157M1-I97 HydrophobicContact CE-CD1 4.21Å; I93-I97 HydrophobicContact CG2-CG1 4.1Å; I93-I97 VanDerWaalsContact O-CG1 3.31Å; I93-I97 WeakPolarHBondContact O-CG1 2.99Å; I93-I97 PolarHBondContact O-N 2.71Å; Q94-I97 PolarHBondContact O-N 3.14Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 2.68Å; I97-L100 PolarHBondContact O-N 3.36Å; I97-N101 WeakPolarHBondContact O-CB 3.4Å; I97-N101 PolarHBondContact O-N 3.05Å; I97-A133 HydrophobicContact CD1-CB 3.62Å; I97-A133 HydrophobicContact CG1-CB 3.67Å; I97-T136 HydrophobicContact CB-CG2 4.11Å; I97-T136 HydrophobicContact CG2-CG2 3.84Å; I97-L137 HydrophobicContact CG2-CD1 4.09Å; I97-L137 HydrophobicContact CG2-CD2 3.85Å; I97-L137 HydrophobicContact CG2-CG 3.74Å; I97-L154 HydrophobicContact CD1-CD2 4.04Å; I97-M157 HydrophobicContact CD1-CE 3.51Å
98N93.9Very high93.7Very high66 Ų6637.9 Ų37.935%0.35319%0.193SC..Hα-helixtrans-56.3-49.9174.4-78.2-29000111.3Q94 L100 N101 D102 T136Q94-N98 PolarHBondContact O-N 3.39Å; Q94-N98 PolarHBondContact O-ND2 2.82Å; N98-L100 PolarHBondContact O-N 2.83Å; N98-N101 PolarHBondContact O-N 2.58Å; N98-D102 PolarHBondContact O-N 3.11Å; N98-T136 WeakPolarHBondContact OD1-CG2 3.37Å
99T94.6Very high93.8Very high17 Ų1736.1 Ų36.110%0.10418%0.184CC..Hα-helixtrans-61.9-48.6-178.5-51.60000110.7T59 L74 K95 T96 I97 N101 D102 T103T59-T99 HydrophobicContact CG2-CG2 4.42Å; L74-T99 HydrophobicContact CD1-CG2 3.92Å; L74-T99 HydrophobicContact CD2-CG2 4.18Å; K95-T99 WeakPolarHBondContact CE-OG1 3.31Å; K95-T99 WeakPolarHBondContact O-CB 3.28Å; K95-T99 PolarHBondContact O-N 2.93Å; K95-T99 PolarHBondContact O-OG1 2.94Å; T96-T99 PolarHBondContact O-N 2.98Å; I97-T99 VanDerWaalsContact C-N 3.34Å; I97-T99 PolarHBondContact O-N 2.68Å; T99-N101 VanDerWaalsContact C-N 3.31Å; T99-N101 PolarHBondContact O-N 2.72Å; T99-D102 PolarHBondContact O-N 2.91Å; T99-D102 VanDerWaalsContact O-N 3.15Å; T99-T103 HydrophobicContact CG2-CG2 4.45Å; T99-T103 VanDerWaalsContact O-CG2 3.25Å; T99-T103 WeakPolarHBondContact O-CG2 3.41Å; T99-T103 PolarHBondContact O-N 2.62Å
100L94Very high93.8Very high0 Ų036.1 Ų36.10%018%0.184CC..Hα-helixtrans-59-42.3178.8-76.6174.4000112.7C17 V19 L74 T96 I97 N98 D102 T103 A108 L154 M157C17-L100 HydrophobicContact CB-CD2 4.17Å; V19-L100 HydrophobicContact CG2-CD1 3.93Å; V19-L100 HydrophobicContact CG2-CD2 4.25Å; V19-L100 HydrophobicContact CG2-CG 4.46Å; L74-L100 HydrophobicContact CD2-CD2 3.61Å; L74-L100 HydrophobicContact CD2-CG 3.68Å; T96-L100 HydrophobicContact CG2-CD1 3.93Å; T96-L100 HydrophobicContact CG2-CG 4.43Å; T96-L100 WeakPolarHBondContact O-CB 3.22Å; T96-L100 WeakPolarHBondContact O-CG 3.45Å; T96-L100 PolarHBondContact O-N 3.1Å; I97-L100 PolarHBondContact O-N 3.36Å; N98-L100 PolarHBondContact O-N 2.83Å; L100-D102 PolarHBondContact O-N 3.08Å; L100-T103 PolarHBondContact O-N 2.89Å; L100-T103 VanDerWaalsContact O-N 3.13Å; L100-T103 PolarHBondContact O-OG1 3.41Å; L100-A108 HydrophobicContact CD1-CB 3.66Å; L100-A108 HydrophobicContact CD2-CB 4.07Å; L100-L154 HydrophobicContact CB-CD1 4.46Å; L100-L154 HydrophobicContact CB-CD2 4Å; L100-L154 HydrophobicContact CD1-CD1 4.47Å; L100-L154 HydrophobicContact CD1-CD2 3.97Å; L100-M157 HydrophobicContact CD1-CE 3.33Å
101N91Very high93.8Very high29 Ų2933.8 Ų33.816%0.15517%0.174CC..Hα-helixtrans-64.7-25.8-179.2-159.155.1000112.7I97 N98 T99 L137 P153 L154I97-N101 WeakPolarHBondContact O-CB 3.4Å; I97-N101 PolarHBondContact O-N 3.05Å; N98-N101 PolarHBondContact O-N 2.58Å; T99-N101 VanDerWaalsContact C-N 3.31Å; T99-N101 PolarHBondContact O-N 2.72Å; N101-L137 HydrophobicContact CB-CD2 4.3Å; N101-P153 WeakPolarHBondContact OD1-CA 3.22Å; N101-L154 PolarHBondContact OD1-N 3.13Å; N101-L154 VanDerWaalsContact OD1-N 3.1Å
102D89.2Confident93.8Very high136 Ų13629.9 Ų29.973%0.72716%0.156SC*.Hα-helixtrans-86-21176.1-65.2-21.2000113.3N98 T99 L100 G104N98-D102 PolarHBondContact O-N 3.11Å; T99-D102 PolarHBondContact O-N 2.91Å; T99-D102 VanDerWaalsContact O-N 3.15Å; L100-D102 PolarHBondContact O-N 3.08Å; D102-G104 VanDerWaalsContact C-N 3.34Å; D102-G104 PolarHBondContact O-N 3.39Å
103T86.5Confident93.7Very high34 Ų3429.8 Ų29.821%0.20916%0.156CC..THydrogen-bonded Turntrans-80.7-10.6-17863.20000114.5L61 R72 T99 L100 S105L61-T103 HydrophobicContact CD1-CG2 4.44Å; L61-T103 HydrophobicContact CD2-CG2 3.56Å; R72-T103 PolarHBondContact NH1-O 3.02Å; T99-T103 HydrophobicContact CG2-CG2 4.45Å; T99-T103 VanDerWaalsContact O-CG2 3.25Å; T99-T103 WeakPolarHBondContact O-CG2 3.41Å; T99-T103 PolarHBondContact O-N 2.62Å; L100-T103 PolarHBondContact O-N 2.89Å; L100-T103 VanDerWaalsContact O-N 3.13Å; L100-T103 PolarHBondContact O-OG1 3.41Å; T103-S105 VanDerWaalsContact C-N 3.25Å; T103-S105 PolarHBondContact O-N 3.32Å; T103-S105 PolarHBondContact OG1-N 3.27Å; T103-S105 PolarHBondContact OG1-OG 3.49Å
104G82.2Confident93.5Very high18 Ų1832.2 Ų32.219%0.18617%0.167CC..THydrogen-bonded Turntrans72.813-173.200000114.9D102 M106D102-G104 VanDerWaalsContact C-N 3.34Å; D102-G104 PolarHBondContact O-N 3.39Å; G104-M106 PolarHBondContact O-N 3.43Å
105S87.3Confident93.4Very high2 Ų228.2 Ų28.21%0.01415%0.148CC..  trans-73.7112.3173.9-52.10000109.1R72 T103 L154R72-S105 PolarHBondContact NH1-OG 3.43Å; T103-S105 VanDerWaalsContact C-N 3.25Å; T103-S105 PolarHBondContact O-N 3.32Å; T103-S105 PolarHBondContact OG1-N 3.27Å; T103-S105 PolarHBondContact OG1-OG 3.49Å; S105-L154 VanDerWaalsContact O-CD1 3.31Å; S105-L154 WeakPolarHBondContact O-CD1 3.4Å
106M91.2Very high93.3Very high83 Ų8331 Ų3141%0.40916%0.162SC..SBendtrans-80.4-21.7-179.4-65.3-171.7-63.400113.1G104 R152 R155 K156G104-M106 PolarHBondContact O-N 3.43Å; M106-R152 HydrophobicContact CG-CB 4.5Å; M106-R155 HydrophobicContact CB-CG 4.46Å; M106-R155 WeakPolarHBondContact O-CA 3.27Å; M106-R155 WeakPolarHBondContact O-CB 3.28Å; M106-R155 PolarHBondContact O-N 3.08Å; M106-K156 PolarHBondContact O-N 3.32Å
107E94.5Very high93.2Very high64 Ų6431 Ų3130%0.29916%0.162SC..EExtended strand (participates in β ladder)trans-133.9136.6176.8-178.3171.4-160.500110.2C17 K156C17-E107 PolarHBondContact N-O 2.9Å; E107-K156 VanDerWaalsContact CA-O 3.31Å; E107-K156 WeakPolarHBondContact CA-O 3.2Å; E107-K156 HydrophobicContact CB-CB 4.38Å; E107-K156 HydrophobicContact CG-CB 4.17Å; E107-K156 HydrophobicContact CG-CD 4.24Å; E107-K156 HydrophobicContact CG-CG 4.3Å; E107-K156 WeakPolarHBondContact OE1-CD 3.41Å; E107-K156 WeakPolarHBondContact OE1-CE 3.39Å; E107-K156 IonicContact OE1-NZ 2.81Å; E107-K156 PolarHBondContact OE1-NZ 3.12Å
108A95.7Very high93Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-135.5148.4174.300000111.8C17 V19 L100 L154 K156 M157 V158C17-A108 HydrophobicContact CB-CB 4.3Å; C17-A108 CarbonylContact O-C 3.53Å; C17-A108 VanDerWaalsContact O-CA 3.25Å; C17-A108 WeakPolarHBondContact O-CA 3.48Å; V19-A108 HydrophobicContact CG2-CB 4.37Å; L100-A108 HydrophobicContact CD1-CB 3.66Å; L100-A108 HydrophobicContact CD2-CB 4.07Å; A108-L154 HydrophobicContact CB-CD1 4.1Å; A108-K156 PolarHBondContact N-O 3.08Å; A108-M157 HydrophobicContact CB-CE 4.11Å; A108-M157 HydrophobicContact CB-SD 3.96Å; A108-V158 PolarHBondContact O-N 3.33Å
109V96.4Very high92.9Very high1 Ų138.7 Ų38.71%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-109.8116.1171.8-179.40000108.2K6 S15 C17 I18 V19 F111 V158K6-V109 VanDerWaalsContact NZ-CG1 3.28Å; S15-V109 VanDerWaalsContact CB-CG2 3.43Å; S15-V109 VanDerWaalsContact OG-CG2 3.28Å; S15-V109 WeakPolarHBondContact OG-CG2 3.34Å; C17-V109 PolarHBondContact O-N 3.11Å; I18-V109 CarbonylContact C-O 3.52Å; V19-V109 PolarHBondContact N-O 2.86Å; V109-F111 HydrophobicContact CB-CE2 4.34Å; V109-F111 HydrophobicContact CG1-CD2 4.14Å; V109-F111 HydrophobicContact CG1-CE2 3.5Å; V109-F111 HydrophobicContact CG1-CZ 3.91Å; V109-V158 CarbonylContact C-O 3.51Å; V109-V158 WeakPolarHBondContact CA-O 3.43Å; V109-V158 HydrophobicContact CG2-CB 4.27Å
110C97Very high92.9Very high1 Ų140.4 Ų40.41%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-104.8120.7-174.7-177.70000111.5V19 L112 M157 V158 F159 N160V19-C110 HydrophobicContact CB-CB 4.41Å; C110-L112 VanDerWaalsContact SG-CB 3.59Å; C110-M157 HydrophobicContact CB-SD 3.56Å; C110-M157 VanDerWaalsContact CB-SD 3.56Å; C110-V158 PolarHBondContact N-O 3.43Å; C110-F159 HydrophobicContact CB-CD1 3.82Å; C110-F159 HydrophobicContact CB-CE1 4.09Å; C110-N160 PolarHBondContact O-N 3.13Å
111F97.1Very high92.9Very high3 Ų343.3 Ų43.31%0.01323%0.234CC..  trans-100.34.6175.4-67-93.1000112.6P10 Q13 I18 V19 V20 I31 V109 T113 E114 N160P10-F111 HydrophobicContact CB-CE2 4.41Å; P10-F111 HydrophobicContact CB-CZ 4.03Å; Q13-F111 HydrophobicContact CG-CZ 4.18Å; I18-F111 HydrophobicContact CG2-CD2 3.86Å; I18-F111 HydrophobicContact CG2-CE2 3.75Å; V19-F111 PolarHBondContact O-N 2.79Å; V20-F111 HydrophobicContact CG1-CB 4.21Å; V20-F111 HydrophobicContact CG1-CD2 4.23Å; I31-F111 HydrophobicContact CB-CB 4.17Å; I31-F111 HydrophobicContact CB-CD1 4.26Å; I31-F111 HydrophobicContact CB-CG 4.31Å; I31-F111 HydrophobicContact CD1-CD1 4.26Å; I31-F111 HydrophobicContact CG1-CB 4.14Å; I31-F111 HydrophobicContact CG1-CD1 3.85Å; I31-F111 HydrophobicContact CG1-CG 4.28Å; I31-F111 HydrophobicContact CG2-CB 3.97Å; I31-F111 HydrophobicContact CG2-CD1 3.62Å; I31-F111 HydrophobicContact CG2-CD2 4.06Å; I31-F111 HydrophobicContact CG2-CE1 4.02Å; I31-F111 HydrophobicContact CG2-CE2 4.43Å; I31-F111 HydrophobicContact CG2-CG 3.63Å; I31-F111 HydrophobicContact CG2-CZ 4.41Å; V109-F111 HydrophobicContact CB-CE2 4.34Å; V109-F111 HydrophobicContact CG1-CD2 4.14Å; V109-F111 HydrophobicContact CG1-CE2 3.5Å; V109-F111 HydrophobicContact CG1-CZ 3.91Å; F111-T113 PolarHBondContact O-N 3.41Å; F111-E114 WeakPolarHBondContact CD1-OE1 3.42Å; F111-E114 WeakPolarHBondContact O-CB 3.33Å; F111-E114 PolarHBondContact O-N 3.27Å; F111-N160 HydrophobicContact CD1-CB 3.39Å; F111-N160 HydrophobicContact CE1-CB 3.52Å; F111-N160 HydrophobicContact CG-CB 4.08Å; F111-N160 HydrophobicContact CZ-CB 4.29Å
112L96.8Very high93.1Very high0 Ų043 Ų430%023%0.232CC..G310 helixtrans-65.2-19.8178.3-57.3175.2000112.4V19 I76 Y89 V92 I93 T96 C110 E114 L115V19-L112 HydrophobicContact CG1-CD1 3.79Å; V19-L112 HydrophobicContact CG1-CD2 4.45Å; V19-L112 HydrophobicContact CG1-CG 4.01Å; I76-L112 HydrophobicContact CB-CD2 4.49Å; I76-L112 HydrophobicContact CG1-CD1 4.38Å; Y89-L112 WeakPolarHBondContact CE2-O 3.23Å; V92-L112 HydrophobicContact CG1-CD1 3.89Å; I93-L112 HydrophobicContact CD1-CB 4.21Å; I93-L112 HydrophobicContact CD1-CD1 4.09Å; T96-L112 HydrophobicContact CG2-CD1 4.16Å; T96-L112 VanDerWaalsContact OG1-CD1 3.28Å; T96-L112 WeakPolarHBondContact OG1-CD1 3.37Å; C110-L112 VanDerWaalsContact SG-CB 3.59Å; L112-E114 PolarHBondContact O-N 3.25Å; L112-L115 HydrophobicContact CB-CD1 4.31Å; L112-L115 HydrophobicContact CD2-CD1 3.92Å; L112-L115 WeakPolarHBondContact O-CB 3.15Å; L112-L115 VanDerWaalsContact O-CG 3.32Å; L112-L115 WeakPolarHBondContact O-CG 3.35Å; L112-L115 PolarHBondContact O-N 2.89Å
113T95.1Very high93.4Very high1 Ų137.1 Ų37.11%0.00620%0.199CC..G310 helixtrans-66.4-15.5172.239.80000113.3Y89 F111 N122 K125 V126 F159 N160Y89-T113 WeakPolarHBondContact OH-CG2 3.34Å; F111-T113 PolarHBondContact O-N 3.41Å; T113-N122 PolarHBondContact O-OD1 3.12Å; T113-K125 WeakPolarHBondContact O-CD 3.32Å; T113-K125 WeakPolarHBondContact O-CE 3.18Å; T113-K125 PolarHBondContact O-NZ 3.42Å; T113-V126 HydrophobicContact CG2-CG2 3.82Å; T113-F159 HydrophobicContact CG2-CB 4.07Å; T113-F159 HydrophobicContact CG2-CD1 3.72Å; T113-F159 HydrophobicContact CG2-CE1 4.48Å; T113-F159 HydrophobicContact CG2-CG 4.08Å; T113-N160 PolarHBondContact OG1-O 3.24Å
114E94.3Very high93.8Very high53 Ų5336.1 Ų36.125%0.24819%0.192CC..G310 helixtrans-86.3-13.2174.6-63.3-167.7-143.200113.8I31 F111 L112 H116 N160 P162I31-E114 WeakPolarHBondContact CD1-OE2 3.42Å; F111-E114 WeakPolarHBondContact CD1-OE1 3.42Å; F111-E114 WeakPolarHBondContact O-CB 3.33Å; F111-E114 PolarHBondContact O-N 3.27Å; L112-E114 PolarHBondContact O-N 3.25Å; E114-H116 PolarHBondContact O-N 3.04Å; E114-N160 PolarHBondContact OE1-ND2 2.87Å; E114-P162 HydrophobicContact CG-CG 3.99Å
115L95.2Very high94.6Very high7 Ų735.7 Ų35.74%0.03719%0.185CC..SBendtrans-61.7140.6179.4-55.4180000110.4F23 C78 L84 L112 V117 K125F23-L115 HydrophobicContact CE2-CD2 4.11Å; F23-L115 HydrophobicContact CZ-CB 4.49Å; F23-L115 HydrophobicContact CZ-CD1 4.46Å; F23-L115 HydrophobicContact CZ-CD2 3.76Å; F23-L115 HydrophobicContact CZ-CG 4.43Å; C78-L115 HydrophobicContact CB-CD1 4.4Å; C78-L115 VanDerWaalsContact SG-CD1 3.58Å; L84-L115 HydrophobicContact CD2-CB 3.86Å; L84-L115 HydrophobicContact CD2-CD1 4.11Å; L112-L115 HydrophobicContact CB-CD1 4.31Å; L112-L115 HydrophobicContact CD2-CD1 3.92Å; L112-L115 WeakPolarHBondContact O-CB 3.15Å; L112-L115 VanDerWaalsContact O-CG 3.32Å; L112-L115 WeakPolarHBondContact O-CG 3.35Å; L112-L115 PolarHBondContact O-N 2.89Å; L115-V117 PolarHBondContact O-N 2.81Å; L115-K125 WeakPolarHBondContact O-CD 2.96Å; L115-K125 PolarHBondContact O-NZ 2.79Å
116H95Very high95.1Very high133 Ų13335.6 Ų35.662%0.61618%0.184SC*.  trans-71.2114172.2-178.773.1000109.2E114E114-H116 PolarHBondContact O-N 3.04Å
117V95.1Very high95.4Very high0 Ų031.9 Ų31.90%017%0.166CC..  trans-107.8127.2172.7178.10000106.9L84 Y89 L115 G119 R120 W124 K125L84-V117 HydrophobicContact CD2-CG2 3.94Å; L84-V117 HydrophobicContact CG-CG2 4.16Å; Y89-V117 HydrophobicContact CD2-CG2 3.53Å; Y89-V117 HydrophobicContact CE2-CG2 4.15Å; Y89-V117 HydrophobicContact CG-CG2 3.84Å; L115-V117 PolarHBondContact O-N 2.81Å; V117-G119 PolarHBondContact O-N 3.34Å; V117-G119 VanDerWaalsContact O-N 3.16Å; V117-R120 HydrophobicContact CB-CB 4.22Å; V117-R120 HydrophobicContact CG1-CB 4.12Å; V117-R120 HydrophobicContact CG1-CG 4.07Å; V117-R120 PolarHBondContact O-N 3.03Å; V117-R120 VanDerWaalsContact O-N 3.08Å; V117-W124 HydrophobicContact CG1-CZ3 4.26Å; V117-K125 HydrophobicContact CB-CD 4.18Å; V117-K125 HydrophobicContact CB-CG 4.43Å; V117-K125 HydrophobicContact CG2-CD 3.74Å; V117-K125 HydrophobicContact CG2-CG 4.1Å
118K91.1Very high95.5Very high157 Ų15729 Ų2968%0.68315%0.152SC*.THydrogen-bonded Turntrans-52.7122.7-172.5-175.6-177.7178.6-176.30111.3L84 R120L84-K118 PolarHBondContact O-N 2.92Å; L84-K118 VanDerWaalsContact O-N 3.08Å; K118-R120 VanDerWaalsContact C-N 3.25Å; K118-R120 PolarHBondContact O-N 3.33Å
119G91.4Very high95.7Very high74 Ų7429 Ų2976%0.76315%0.152SC*.THydrogen-bonded Turntrans71.410.4174.900000115.6V117V117-G119 PolarHBondContact O-N 3.34Å; V117-G119 VanDerWaalsContact O-N 3.16Å
120R94.3Very high95.8Very high52 Ų5228.9 Ų28.920%0.19615%0.152CC..  trans-122.9139.1-175.1-59.3-57.9-176.9171.74.2112.8E86 V117 K118 W124 E411E86-R120 HydrophobicContact CG-CG 4Å; E86-R120 IonicContact OE1-CZ 3.75Å; E86-R120 IonicContact OE1-NE 3.76Å; E86-R120 PolarHBondContact OE1-NE 2.83Å; E86-R120 IonicContact OE1-NH2 3.14Å; E86-R120 PolarHBondContact OE1-NH2 3.18Å; E86-R120 IonicContact OE2-CZ 3.59Å; E86-R120 IonicContact OE2-NE 2.75Å; E86-R120 IonicContact OE2-NH2 3.79Å; E86-R120 PolarHBondContact OE2-NH2 2.99Å; V117-R120 HydrophobicContact CB-CB 4.22Å; V117-R120 HydrophobicContact CG1-CB 4.12Å; V117-R120 HydrophobicContact CG1-CG 4.07Å; V117-R120 PolarHBondContact O-N 3.03Å; V117-R120 VanDerWaalsContact O-N 3.08Å; K118-R120 VanDerWaalsContact C-N 3.25Å; K118-R120 PolarHBondContact O-N 3.33Å; R120-W124 HydrophobicContact CB-CB 4.38Å; R120-W124 HydrophobicContact CB-CD2 3.91Å; R120-W124 HydrophobicContact CB-CE3 3.66Å; R120-W124 HydrophobicContact CB-CG 4.23Å; R120-W124 HydrophobicContact CB-CZ3 4.3Å; R120-W124 HydrophobicContact CG-CD2 3.7Å; R120-W124 HydrophobicContact CG-CE3 3.69Å; R120-W124 HydrophobicContact CG-CG 4.22Å; R120-W124 HydrophobicContact CG-CH2 4.35Å; R120-W124 HydrophobicContact CG-CZ2 4.29Å; R120-W124 HydrophobicContact CG-CZ3 4.04Å; R120-E411 PolarHBondContact NH2-O 2.88Å
121N94.3Very high95.9Very high62 Ų6229.5 Ų29.533%0.33215%0.154SC..  trans-91.3-179177.769.27.2000112.3Y123 W124 K125 G501N121-Y123 PolarHBondContact OD1-N 3.44Å; N121-W124 PolarHBondContact O-N 3.03Å; N121-W124 WeakPolarHBondContact OD1-CB 3.06Å; N121-W124 PolarHBondContact OD1-N 2.78Å; N121-K125 WeakPolarHBondContact O-CE 3.48Å; N121-K125 WeakPolarHBondContact O-CG 3.1Å; N121-K125 PolarHBondContact O-N 3.01Å; N121-K125 VanDerWaalsContact O-N 3.15Å; N121-G501 PolarHBondContact ND2-O 2.78Å
122N94.7Very high95.9Very high22 Ų2230.1 Ų30.112%0.11816%0.158CC..Hα-helixtrans-71.3-35.5-178-72.3-21.8000113.3T113 W124 K125 V126 P162 E166T113-N122 PolarHBondContact O-OD1 3.12Å; N122-W124 PolarHBondContact O-N 2.82Å; N122-K125 PolarHBondContact O-N 2.95Å; N122-K125 WeakPolarHBondContact OD1-CE 3.46Å; N122-K125 PolarHBondContact OD1-NZ 2.85Å; N122-V126 WeakPolarHBondContact O-CG2 2.84Å; N122-V126 PolarHBondContact O-N 2.92Å; N122-P162 VanDerWaalsContact ND2-CD 3.3Å; N122-P162 WeakPolarHBondContact ND2-CD 3.48Å; N122-P162 WeakPolarHBondContact ND2-CG 3.48Å; N122-E166 VanDerWaalsContact ND2-CD 3.29Å; N122-E166 PolarHBondContact ND2-OE1 3.38Å; N122-E166 PolarHBondContact ND2-OE2 2.98Å
123Y95.6Very high96Very high12 Ų1230.1 Ų30.15%0.04716%0.158CC..Hα-helixtrans-55.2-51.3171.7164.9-92.7000111N121 K125 V126 R127 R172 A173 H176N121-Y123 PolarHBondContact OD1-N 3.44Å; Y123-K125 PolarHBondContact O-N 3.35Å; Y123-V126 PolarHBondContact O-N 3.34Å; Y123-R127 WeakPolarHBondContact O-CB 3.31Å; Y123-R127 PolarHBondContact O-N 3.32Å; Y123-R127 PolarHBondContact OH-NH1 2.97Å; Y123-R172 HydrophobicContact CE2-CG 4.44Å; Y123-A173 HydrophobicContact CD2-CB 3.52Å; Y123-A173 HydrophobicContact CE2-CB 3.91Å; Y123-A173 HydrophobicContact CG-CB 4.21Å; Y123-A173 VanDerWaalsContact O-CB 3.3Å; Y123-A173 WeakPolarHBondContact O-CB 3.4Å; Y123-H176 AromaticContact CE2-ND1 3.79Å; Y123-H176 AromaticContact CZ-ND1 3.71Å; Y123-H176 PolarHBondContact OH-ND1 2.99Å
124W96.4Very high96.1Very high14 Ų1433.3 Ų33.35%0.05317%0.172CC..Hα-helixtrans-60-46.4179.4-175.196.1000111.6E86 Y89 V117 R120 N121 N122 V126 R127 Q128 Q412E86-W124 HydrophobicContact CB-CH2 3.55Å; E86-W124 HydrophobicContact CB-CZ2 3.78Å; E86-W124 HydrophobicContact CG-CH2 3.52Å; E86-W124 HydrophobicContact CG-CZ2 3.52Å; E86-W124 HydrophobicContact CG-CZ3 4.39Å; Y89-W124 HydrophobicContact CD1-CH2 4.29Å; Y89-W124 AromaticContact CD1-CZ3 3.68Å; Y89-W124 HydrophobicContact CD1-CZ3 3.68Å; Y89-W124 HydrophobicContact CE1-CZ3 4.21Å; Y89-W124 HydrophobicContact CG-CZ3 4.37Å; V117-W124 HydrophobicContact CG1-CZ3 4.26Å; R120-W124 HydrophobicContact CB-CB 4.38Å; R120-W124 HydrophobicContact CB-CD2 3.91Å; R120-W124 HydrophobicContact CB-CE3 3.66Å; R120-W124 HydrophobicContact CB-CG 4.23Å; R120-W124 HydrophobicContact CB-CZ3 4.3Å; R120-W124 HydrophobicContact CG-CD2 3.7Å; R120-W124 HydrophobicContact CG-CE3 3.69Å; R120-W124 HydrophobicContact CG-CG 4.22Å; R120-W124 HydrophobicContact CG-CH2 4.35Å; R120-W124 HydrophobicContact CG-CZ2 4.29Å; R120-W124 HydrophobicContact CG-CZ3 4.04Å; N121-W124 PolarHBondContact O-N 3.03Å; N121-W124 WeakPolarHBondContact OD1-CB 3.06Å; N121-W124 PolarHBondContact OD1-N 2.78Å; N122-W124 PolarHBondContact O-N 2.82Å; W124-V126 PolarHBondContact O-N 3.25Å; W124-R127 PolarHBondContact O-N 3.38Å; W124-Q128 HydrophobicContact CD2-CB 4.5Å; W124-Q128 HydrophobicContact CD2-CG 3.72Å; W124-Q128 VanDerWaalsContact CE2-CG 3.49Å; W124-Q128 HydrophobicContact CE3-CB 4.32Å; W124-Q128 HydrophobicContact CE3-CG 4.02Å; W124-Q128 HydrophobicContact CG-CG 4.34Å; W124-Q128 HydrophobicContact CH2-CB 4.22Å; W124-Q128 HydrophobicContact CH2-CG 3.84Å; W124-Q128 HydrophobicContact CZ2-CB 4.46Å; W124-Q128 HydrophobicContact CZ2-CG 3.59Å; W124-Q128 HydrophobicContact CZ3-CB 4.16Å; W124-Q128 HydrophobicContact CZ3-CG 4.06Å; W124-Q128 VanDerWaalsContact O-CB 3.32Å; W124-Q128 WeakPolarHBondContact O-CB 3.33Å; W124-Q128 VanDerWaalsContact O-CG 3.31Å; W124-Q128 WeakPolarHBondContact O-CG 3.49Å; W124-Q128 PolarHBondContact O-N 3.48Å; W124-Q412 PolarHBondContact NE1-O 2.8Å
125K97.5Very high96.2Very high9 Ų933.8 Ų33.84%0.03917%0.174CC..Hα-helixtrans-60.8-47.2-179.8-76.7-177.9-72.8169.90112.1Y89 T113 L115 V117 N121 N122 Y123 A129Y89-K125 HydrophobicContact CE1-CB 4.15Å; Y89-K125 HydrophobicContact CE1-CG 4.22Å; Y89-K125 WeakPolarHBondContact CE1-O 3.42Å; Y89-K125 HydrophobicContact CE2-CD 4.48Å; Y89-K125 HydrophobicContact CE2-CG 4.38Å; Y89-K125 PolarHBondContact OH-O 3.2Å; T113-K125 WeakPolarHBondContact O-CD 3.32Å; T113-K125 WeakPolarHBondContact O-CE 3.18Å; T113-K125 PolarHBondContact O-NZ 3.42Å; L115-K125 WeakPolarHBondContact O-CD 2.96Å; L115-K125 PolarHBondContact O-NZ 2.79Å; V117-K125 HydrophobicContact CB-CD 4.18Å; V117-K125 HydrophobicContact CB-CG 4.43Å; V117-K125 HydrophobicContact CG2-CD 3.74Å; V117-K125 HydrophobicContact CG2-CG 4.1Å; N121-K125 WeakPolarHBondContact O-CE 3.48Å; N121-K125 WeakPolarHBondContact O-CG 3.1Å; N121-K125 PolarHBondContact O-N 3.01Å; N121-K125 VanDerWaalsContact O-N 3.15Å; N122-K125 PolarHBondContact O-N 2.95Å; N122-K125 WeakPolarHBondContact OD1-CE 3.46Å; N122-K125 PolarHBondContact OD1-NZ 2.85Å; Y123-K125 PolarHBondContact O-N 3.35Å; K125-A129 VanDerWaalsContact O-CB 3.25Å; K125-A129 WeakPolarHBondContact O-CB 3.36Å; K125-A129 PolarHBondContact O-N 3.45Å
126V98.1Very high96.2Very high0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-63.1-48.4178.4173.30000110.8V5 T113 N122 Y123 W124 Q128 A129 V130 F159 V161 A173 I174V5-V126 HydrophobicContact CG1-CG1 4.08Å; V5-V126 HydrophobicContact CG1-CG2 4.5Å; T113-V126 HydrophobicContact CG2-CG2 3.82Å; N122-V126 WeakPolarHBondContact O-CG2 2.84Å; N122-V126 PolarHBondContact O-N 2.92Å; Y123-V126 PolarHBondContact O-N 3.34Å; W124-V126 PolarHBondContact O-N 3.25Å; V126-Q128 PolarHBondContact O-N 2.96Å; V126-A129 PolarHBondContact O-N 2.99Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 2.98Å; V126-F159 HydrophobicContact CG1-CD2 4.13Å; V126-F159 HydrophobicContact CG2-CB 4.44Å; V126-V161 HydrophobicContact CG2-CG1 4.31Å; V126-A173 HydrophobicContact CB-CB 3.77Å; V126-A173 HydrophobicContact CG1-CB 3.73Å; V126-I174 HydrophobicContact CG1-CD1 4.46Å; V126-I174 HydrophobicContact CG1-CG1 3.71Å
127R97.7Very high96.2Very high4 Ų430.9 Ų30.92%0.01516%0.164CC..Hα-helixtrans-59.6-49.1179.6172.3173.2160.1-157.1-13.9111.4Y123 W124 A129 V130 E131 A173 I180Y123-R127 WeakPolarHBondContact O-CB 3.31Å; Y123-R127 PolarHBondContact O-N 3.32Å; Y123-R127 PolarHBondContact OH-NH1 2.97Å; W124-R127 PolarHBondContact O-N 3.38Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 3.49Å; R127-V130 WeakPolarHBondContact O-CB 3.46Å; R127-V130 PolarHBondContact O-N 3.08Å; R127-V130 VanDerWaalsContact O-N 3.17Å; R127-E131 WeakPolarHBondContact CG-OE1 3.33Å; R127-E131 IonicContact CZ-OE1 3.91Å; R127-E131 IonicContact NE-OE1 3.18Å; R127-E131 PolarHBondContact NE-OE1 3.4Å; R127-E131 IonicContact NH2-OE1 2.71Å; R127-E131 PolarHBondContact O-N 2.96Å; R127-A173 HydrophobicContact CB-CB 4.02Å; R127-I180 VanDerWaalsContact NE-CD1 3.35Å
128Q97.8Very high96.2Very high3 Ų333.1 Ų33.11%0.01417%0.173CC..Hα-helixtrans-66.5-31.1179-70.9-59.4-46.300112.6Y89 W124 V126 E131 T132Y89-Q128 HydrophobicContact CE1-CB 4.47Å; W124-Q128 HydrophobicContact CD2-CB 4.5Å; W124-Q128 HydrophobicContact CD2-CG 3.72Å; W124-Q128 VanDerWaalsContact CE2-CG 3.49Å; W124-Q128 HydrophobicContact CE3-CB 4.32Å; W124-Q128 HydrophobicContact CE3-CG 4.02Å; W124-Q128 HydrophobicContact CG-CG 4.34Å; W124-Q128 HydrophobicContact CH2-CB 4.22Å; W124-Q128 HydrophobicContact CH2-CG 3.84Å; W124-Q128 HydrophobicContact CZ2-CB 4.46Å; W124-Q128 HydrophobicContact CZ2-CG 3.59Å; W124-Q128 HydrophobicContact CZ3-CB 4.16Å; W124-Q128 HydrophobicContact CZ3-CG 4.06Å; W124-Q128 VanDerWaalsContact O-CB 3.32Å; W124-Q128 WeakPolarHBondContact O-CB 3.33Å; W124-Q128 VanDerWaalsContact O-CG 3.31Å; W124-Q128 WeakPolarHBondContact O-CG 3.49Å; W124-Q128 PolarHBondContact O-N 3.48Å; V126-Q128 PolarHBondContact O-N 2.96Å; Q128-E131 PolarHBondContact NE2-OE1 3.34Å; Q128-E131 PolarHBondContact NE2-OE2 2.9Å; Q128-T132 WeakPolarHBondContact O-CB 3.49Å; Q128-T132 PolarHBondContact O-N 3.45Å; Q128-T132 PolarHBondContact O-OG1 3.5Å
129A98.3Very high96.4Very high0 Ų029.1 Ų29.10%016%0.164CC..Hα-helixtrans-65.8-40.8172.800000111.9I93 K125 V126 R127 A133 F159I93-A129 HydrophobicContact CD1-CB 3.98Å; I93-A129 HydrophobicContact CG1-CB 4.13Å; I93-A129 HydrophobicContact CG2-CB 4.34Å; K125-A129 VanDerWaalsContact O-CB 3.25Å; K125-A129 WeakPolarHBondContact O-CB 3.36Å; K125-A129 PolarHBondContact O-N 3.45Å; V126-A129 PolarHBondContact O-N 2.99Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 3.49Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 3.5Å; A129-F159 HydrophobicContact CB-CD1 4.36Å; A129-F159 HydrophobicContact CB-CE1 3.58Å; A129-F159 HydrophobicContact CB-CE2 4.31Å; A129-F159 HydrophobicContact CB-CZ 3.55Å
130V98.6Very high96.6Very high0 Ų027.8 Ų27.80%014%0.138CC..Hα-helixtrans-63.7-52.2174173.50000111.3F3 V126 R127 T132 A133 K134 F159 I174 L178F3-V130 HydrophobicContact CB-CG2 4.36Å; F3-V130 HydrophobicContact CD1-CG2 3.92Å; F3-V130 HydrophobicContact CD2-CG1 4.16Å; F3-V130 HydrophobicContact CD2-CG2 4.45Å; F3-V130 HydrophobicContact CE1-CG2 4.19Å; F3-V130 HydrophobicContact CE2-CG1 3.98Å; F3-V130 HydrophobicContact CG-CG2 4.01Å; F3-V130 HydrophobicContact CZ-CG1 4.16Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 2.98Å; R127-V130 WeakPolarHBondContact O-CB 3.46Å; R127-V130 PolarHBondContact O-N 3.08Å; R127-V130 VanDerWaalsContact O-N 3.17Å; V130-T132 PolarHBondContact O-N 3.11Å; V130-A133 PolarHBondContact O-N 2.83Å; V130-K134 WeakPolarHBondContact O-CG 3.39Å; V130-K134 PolarHBondContact O-N 3.43Å; V130-F159 HydrophobicContact CG2-CD2 4.44Å; V130-F159 HydrophobicContact CG2-CE2 3.65Å; V130-F159 HydrophobicContact CG2-CZ 4.46Å; V130-I174 HydrophobicContact CG2-CG1 4.06Å; V130-L178 HydrophobicContact CG1-CD2 3.97Å; V130-L178 HydrophobicContact CG1-CG 3.99Å
131E98.5Very high96.6Very high14 Ų1426.9 Ų26.97%0.06514%0.137CC..Hα-helixtrans-57.4-49.3179.7-72.3176.4-146.700111.1R127 Q128 A133 K134 E135 I180R127-E131 WeakPolarHBondContact CG-OE1 3.33Å; R127-E131 IonicContact CZ-OE1 3.91Å; R127-E131 IonicContact NE-OE1 3.18Å; R127-E131 PolarHBondContact NE-OE1 3.4Å; R127-E131 IonicContact NH2-OE1 2.71Å; R127-E131 PolarHBondContact O-N 2.96Å; Q128-E131 PolarHBondContact NE2-OE1 3.34Å; Q128-E131 PolarHBondContact NE2-OE2 2.9Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.39Å; E131-K134 PolarHBondContact O-N 3.25Å; E131-E135 WeakPolarHBondContact O-CB 3.46Å; E131-E135 PolarHBondContact O-N 3.11Å; E131-I180 HydrophobicContact CG-CB 4.49Å; E131-I180 HydrophobicContact CG-CG2 4.25Å
132T98.1Very high96.5Very high15 Ų1528.4 Ų28.49%0.09214%0.142CC..Hα-helixtrans-62.6-39.9178.8-58.20000111.6K90 I93 Q94 Q128 V130 E135 T136K90-T132 WeakPolarHBondContact O-CG2 3.37Å; I93-T132 HydrophobicContact CB-CG2 3.98Å; I93-T132 HydrophobicContact CG2-CG2 3.81Å; Q94-T132 HydrophobicContact CB-CG2 4.05Å; Q128-T132 WeakPolarHBondContact O-CB 3.49Å; Q128-T132 PolarHBondContact O-N 3.45Å; Q128-T132 PolarHBondContact O-OG1 3.5Å; V130-T132 PolarHBondContact O-N 3.11Å; T132-E135 PolarHBondContact O-N 2.77Å; T132-T136 VanDerWaalsContact O-CB 3.28Å; T132-T136 WeakPolarHBondContact O-CB 3.45Å; T132-T136 PolarHBondContact O-N 3.4Å; T132-T136 PolarHBondContact O-OG1 2.99Å
133A98Very high96.6Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-66-41.1178.600000112.1M1 F3 I97 A129 V130 E131 L137M1-A133 HydrophobicContact CE-CB 3.6Å; F3-A133 HydrophobicContact CE1-CB 3.96Å; F3-A133 HydrophobicContact CZ-CB 3.9Å; I97-A133 HydrophobicContact CD1-CB 3.62Å; I97-A133 HydrophobicContact CG1-CB 3.67Å; A129-A133 WeakPolarHBondContact O-CB 3.31Å; A129-A133 PolarHBondContact O-N 3.5Å; V130-A133 PolarHBondContact O-N 2.83Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.39Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 3.07Å
134K97.7Very high96.5Very high69 Ų6937.7 Ų37.730%0.319%0.186SC..Hα-helixtrans-67.5-41.2174.8-69.4-62.6-151.2-166.60112.2M1 F3 V130 E131 T136 L137 Y138 A181M1-K134 PolarHBondContact O-NZ 3.06Å; F3-K134 HydrophobicContact CE2-CD 4.03Å; F3-K134 HydrophobicContact CE2-CG 4.26Å; F3-K134 HydrophobicContact CZ-CD 4.37Å; F3-K134 HydrophobicContact CZ-CG 4.38Å; V130-K134 WeakPolarHBondContact O-CG 3.39Å; V130-K134 PolarHBondContact O-N 3.43Å; E131-K134 PolarHBondContact O-N 3.25Å; K134-T136 VanDerWaalsContact C-N 3.34Å; K134-L137 PolarHBondContact O-N 2.96Å; K134-Y138 PolarHBondContact O-N 2.97Å; K134-Y138 VanDerWaalsContact O-N 3.11Å; K134-A181 HydrophobicContact CB-CB 3.55Å; K134-A181 HydrophobicContact CG-CB 3.66Å
135E96.9Very high96.4Very high63 Ų6343.8 Ų43.829%0.29422%0.224SC..Hα-helixtrans-62.1-42.4175.5173.557.2-160.800111.6E131 T132 L137 Y138 K188E131-E135 WeakPolarHBondContact O-CB 3.46Å; E131-E135 PolarHBondContact O-N 3.11Å; T132-E135 PolarHBondContact O-N 2.77Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.63Å; E135-Y138 WeakPolarHBondContact O-CB 3.42Å; E135-Y138 PolarHBondContact O-N 3.08Å; E135-K188 IonicContact OE1-NZ 3.13Å; E135-K188 PolarHBondContact OE1-NZ 3.44Å; E135-K188 IonicContact OE2-NZ 2.88Å; E135-K188 PolarHBondContact OE2-NZ 2.64Å
136T95.7Very high96.1Very high24 Ų2450.1 Ų50.115%0.14726%0.259CS..Hα-helixtrans-63.1-37.9179.4-59.60000111.9Q94 I97 N98 T132 K134 Y138Q94-T136 HydrophobicContact CG-CG2 4.08Å; I97-T136 HydrophobicContact CB-CG2 4.11Å; I97-T136 HydrophobicContact CG2-CG2 3.84Å; N98-T136 WeakPolarHBondContact OD1-CG2 3.37Å; T132-T136 VanDerWaalsContact O-CB 3.28Å; T132-T136 WeakPolarHBondContact O-CB 3.45Å; T132-T136 PolarHBondContact O-N 3.4Å; T132-T136 PolarHBondContact O-OG1 2.99Å; K134-T136 VanDerWaalsContact C-N 3.34Å; T136-Y138 VanDerWaalsContact C-N 3.34Å
137L94.1Very high95.7Very high54 Ų5455.8 Ų55.828%0.28328%0.283SS..THydrogen-bonded Turntrans-89.22.2-179.5-63.2175000113.4M1 I97 N101 A133 K134 E135 S139M1-L137 HydrophobicContact CB-CD1 4.49Å; M1-L137 HydrophobicContact CE-CD1 3.57Å; M1-L137 HydrophobicContact SD-CD1 4Å; I97-L137 HydrophobicContact CG2-CD1 4.09Å; I97-L137 HydrophobicContact CG2-CD2 3.85Å; I97-L137 HydrophobicContact CG2-CG 3.74Å; N101-L137 HydrophobicContact CB-CD2 4.3Å; A133-L137 WeakPolarHBondContact O-CG 3.47Å; A133-L137 PolarHBondContact O-N 3.07Å; K134-L137 PolarHBondContact O-N 2.96Å; E135-L137 VanDerWaalsContact C-N 3.3Å; E135-L137 PolarHBondContact O-N 2.63Å; L137-S139 PolarHBondContact O-N 3.31Å
138Y95.5Very high94.8Very high47 Ų4761 Ų6118%0.18432%0.32CS..  trans-64.4127.7178.7173.8-93.6000110.6K134 E135 T136 F140 K185 K188 N192K134-Y138 PolarHBondContact O-N 2.97Å; K134-Y138 VanDerWaalsContact O-N 3.11Å; E135-Y138 WeakPolarHBondContact O-CB 3.42Å; E135-Y138 PolarHBondContact O-N 3.08Å; T136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-F140 HydrophobicContact CE1-CB 4.18Å; Y138-K185 HydrophobicContact CD2-CG 4.06Å; Y138-K185 HydrophobicContact CE2-CG 4.06Å; Y138-K188 HydrophobicContact CD1-CD 4.32Å; Y138-K188 HydrophobicContact CD2-CB 4.49Å; Y138-K188 HydrophobicContact CD2-CD 4.24Å; Y138-K188 HydrophobicContact CE1-CB 4.2Å; Y138-K188 HydrophobicContact CE1-CD 4.31Å; Y138-K188 HydrophobicContact CE2-CB 3.69Å; Y138-K188 HydrophobicContact CE2-CD 4.24Å; Y138-K188 HydrophobicContact CG-CD 4.28Å; Y138-K188 WeakPolarHBondContact OH-CB 3.41Å; Y138-K188 PolarHBondContact OH-O 3.36Å; Y138-N192 PolarHBondContact OH-ND2 2.89Å
139S94.5Very high93.8Very high73 Ų7368.7 Ų68.751%0.5136%0.356SS..  trans-132140.1171.158.30000110L137L137-S139 PolarHBondContact O-N 3.31Å
140F95.5Very high92.7Very high47 Ų4771.3 Ų71.321%0.20637%0.374CS..  trans-114.294.7169.5-170.1-94.7000108.9Y138 L143 D189 N192 M193Y138-F140 HydrophobicContact CE1-CB 4.18Å; F140-L143 HydrophobicContact CE1-CD1 4.12Å; F140-L143 HydrophobicContact CE1-CG 4.36Å; F140-L143 HydrophobicContact CZ-CD1 4.39Å; F140-D189 WeakPolarHBondContact CE2-O 3.31Å; F140-N192 HydrophobicContact CB-CB 4.4Å; F140-N192 HydrophobicContact CD1-CB 3.83Å; F140-N192 HydrophobicContact CD2-CB 3.74Å; F140-N192 HydrophobicContact CE1-CB 3.97Å; F140-N192 HydrophobicContact CE2-CB 3.88Å; F140-N192 HydrophobicContact CG-CB 3.71Å; F140-N192 HydrophobicContact CZ-CB 4Å; F140-M193 HydrophobicContact CE2-CE 4.28Å; F140-M193 HydrophobicContact CZ-CB 4.43Å; F140-M193 HydrophobicContact CZ-CE 4.1Å; F140-M193 HydrophobicContact CZ-SD 4.1Å
141D94.5Very high91.8Very high33 Ų3383.3 Ų83.318%0.17642%0.419CS..  trans-127.57.2-174.965.9-6.1000113L143 K144 K147D141-L143 PolarHBondContact O-N 2.98Å; D141-L143 VanDerWaalsContact O-N 3.1Å; D141-K144 HydrophobicContact CB-CD 4.28Å; D141-K144 WeakPolarHBondContact O-CB 3.42Å; D141-K144 PolarHBondContact O-N 2.88Å; D141-K147 HydrophobicContact CB-CG 4.36Å
142Q93.6Very high91.2Very high94 Ų9490.1 Ų90.144%0.43944%0.444SS..THydrogen-bonded Turntrans-59.2-28.7-174.4-57.4-178.945.200112.6
143L95.5Very high90.7Very high95 Ų9591.4 Ų91.450%0.49745%0.452SS..THydrogen-bonded Turntrans-99.35.1179.8-53.7179.2000113.5F140 D141 M193 P194 I197F140-L143 HydrophobicContact CE1-CD1 4.12Å; F140-L143 HydrophobicContact CE1-CG 4.36Å; F140-L143 HydrophobicContact CZ-CD1 4.39Å; D141-L143 PolarHBondContact O-N 2.98Å; D141-L143 VanDerWaalsContact O-N 3.1Å; L143-M193 HydrophobicContact CD1-SD 4.11Å; L143-M193 HydrophobicContact CD2-SD 4.33Å; L143-P194 HydrophobicContact CD1-CG 3.69Å; L143-I197 HydrophobicContact CD1-CD1 4.35Å; L143-I197 HydrophobicContact CD2-CD1 3.83Å
144K94.8Very high90.5Very high134 Ų13491.6 Ų91.658%0.58345%0.454SS*.  trans-94.8135.2176.7-65.4-175.1177.6179.60110.2D141D141-K144 HydrophobicContact CB-CD 4.28Å; D141-K144 WeakPolarHBondContact O-CB 3.42Å; D141-K144 PolarHBondContact O-N 2.88Å
145T94.4Very high90.3Very high141 Ų14195.7 Ų95.787%0.86547%0.467SS*.SBendtrans-63-42.7172.5-47.10000111.9
146N91.2Very high90.2Very high143 Ų14395.9 Ų95.977%0.76547%0.467SS*.SBendtrans-104.3111.9178.8-65.7-34.4000109.9
147K88.6Confident90.3Very high118 Ų11894.8 Ų94.851%0.51346%0.46SS..  trans-95.4125.9174.7-59.5-178.6-175.8178.80108.8D141D141-K147 HydrophobicContact CB-CG 4.36Å
148S79.9Confident90.4Very high113 Ų11392.5 Ų92.579%0.7945%0.449SS*.  trans-92.2106.6176.958.90000108.9
149E76.5Confident90.5Very high165 Ų16590.4 Ų90.477%0.77144%0.44SS*.  trans-102.5135.7170.1-67.3-172.3177.500110.1R151E149-R151 PolarHBondContact O-N 2.98Å
150P75Confident90.6Very high56 Ų5687.1 Ų87.136%0.36442%0.417SS..  trans-60.8139.217028.2-35.4000109.1R152 P153P150-R152 PolarHBondContact O-N 3.14Å; P150-R152 VanDerWaalsContact O-N 3.16Å; P150-P153 HydrophobicContact CG-CB 3.79Å; P150-P153 HydrophobicContact CG-CG 4.49Å; P150-P153 WeakPolarHBondContact O-CD 3.28Å
151R79.2Confident90.5Very high252 Ų25284.9 Ų84.995%0.95141%0.407SS*.SBendtrans-60.7-30.1-175.4-133.2-178.9172.6178.5-2.2113.3E149E149-R151 PolarHBondContact O-N 2.98Å
152R85.3Confident90.4Very high156 Ų15686 Ų8659%0.58942%0.416SS*.SBendtrans-140.479.4178-70.7-174179.1-166.80.4109.3M106 P150M106-R152 HydrophobicContact CG-CB 4.5Å; P150-R152 PolarHBondContact O-N 3.14Å; P150-R152 VanDerWaalsContact O-N 3.16Å
153P89.1Confident90.4Very high42 Ų4284.7 Ų84.727%0.27342%0.415SS..  trans-64.5153.6-179.923.1-28.2000111.1N101 P150 R155N101-P153 WeakPolarHBondContact OD1-CA 3.22Å; P150-P153 HydrophobicContact CG-CB 3.79Å; P150-P153 HydrophobicContact CG-CG 4.49Å; P150-P153 WeakPolarHBondContact O-CD 3.28Å; P153-R155 WeakPolarHBondContact O-CG 3.43Å; P153-R155 PolarHBondContact O-N 2.95Å
154L92.4Very high90.3Very high5 Ų589.8 Ų89.83%0.02643%0.427CS..  trans-64.3115.1165.5-179.167.9000109.3M1 I97 L100 N101 S105 A108 M157M1-L154 HydrophobicContact SD-CB 4.27Å; M1-L154 HydrophobicContact SD-CD2 3.43Å; M1-L154 WeakPolarHBondContact SD-CD2 3.16Å; M1-L154 HydrophobicContact SD-CG 3.61Å; I97-L154 HydrophobicContact CD1-CD2 4.04Å; L100-L154 HydrophobicContact CB-CD1 4.46Å; L100-L154 HydrophobicContact CB-CD2 4Å; L100-L154 HydrophobicContact CD1-CD1 4.47Å; L100-L154 HydrophobicContact CD1-CD2 3.97Å; N101-L154 PolarHBondContact OD1-N 3.13Å; N101-L154 VanDerWaalsContact OD1-N 3.1Å; S105-L154 VanDerWaalsContact O-CD1 3.31Å; S105-L154 WeakPolarHBondContact O-CD1 3.4Å; A108-L154 HydrophobicContact CB-CD1 4.1Å; L154-M157 HydrophobicContact CD2-CE 3.66Å
155R93.4Very high90.3Very high155 Ų15594.5 Ų94.559%0.58544%0.442SS*.  trans-99.7-32.6-175.1-64.8-174.7179.5-165.3-2.2113.1M1 E2 M106 P153M1-R155 CarbonylContact C-O 3.51Å; M1-R155 WeakPolarHBondContact CA-O 3.49Å; E2-R155 PolarHBondContact N-O 2.83Å; M106-R155 HydrophobicContact CB-CG 4.46Å; M106-R155 WeakPolarHBondContact O-CA 3.27Å; M106-R155 WeakPolarHBondContact O-CB 3.28Å; M106-R155 PolarHBondContact O-N 3.08Å; P153-R155 WeakPolarHBondContact O-CG 3.43Å; P153-R155 PolarHBondContact O-N 2.95Å
156K95.7Very high90.3Very high67 Ų6790 Ų9029%0.29141%0.411SS..EExtended strand (participates in β ladder)trans-138.8131.9-175.9-175176172.5-151.20111.4E2 M106 E107 A108 V158E2-K156 HydrophobicContact CB-CG 4.49Å; E2-K156 WeakPolarHBondContact O-CA 3.47Å; M106-K156 PolarHBondContact O-N 3.32Å; E107-K156 VanDerWaalsContact CA-O 3.31Å; E107-K156 WeakPolarHBondContact CA-O 3.2Å; E107-K156 HydrophobicContact CB-CB 4.38Å; E107-K156 HydrophobicContact CG-CB 4.17Å; E107-K156 HydrophobicContact CG-CD 4.24Å; E107-K156 HydrophobicContact CG-CG 4.3Å; E107-K156 WeakPolarHBondContact OE1-CD 3.41Å; E107-K156 WeakPolarHBondContact OE1-CE 3.39Å; E107-K156 IonicContact OE1-NZ 2.81Å; E107-K156 PolarHBondContact OE1-NZ 3.12Å; A108-K156 PolarHBondContact N-O 3.08Å; K156-V158 HydrophobicContact CG-CG2 4.29Å
157M96.7Very high90.5Very high1 Ų185.5 Ų85.51%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-122.3122.117418065.975.500109.3M1 E2 F3 S4 I97 L100 A108 C110 L154 F159M1-M157 HydrophobicContact SD-CB 4.29Å; E2-M157 PolarHBondContact O-N 2.68Å; F3-M157 VanDerWaalsContact CA-O 3.29Å; F3-M157 WeakPolarHBondContact CA-O 3.36Å; F3-M157 HydrophobicContact CD1-CB 3.79Å; F3-M157 HydrophobicContact CD1-CG 4.24Å; F3-M157 HydrophobicContact CE1-CB 4.03Å; F3-M157 HydrophobicContact CE1-CG 4.42Å; S4-M157 PolarHBondContact N-O 2.97Å; I97-M157 HydrophobicContact CD1-CE 3.51Å; L100-M157 HydrophobicContact CD1-CE 3.33Å; A108-M157 HydrophobicContact CB-CE 4.11Å; A108-M157 HydrophobicContact CB-SD 3.96Å; C110-M157 HydrophobicContact CB-SD 3.56Å; C110-M157 VanDerWaalsContact CB-SD 3.56Å; L154-M157 HydrophobicContact CD2-CE 3.66Å; M157-F159 HydrophobicContact CG-CD1 4.3Å; M157-F159 HydrophobicContact CG-CE1 3.73Å; M157-F159 HydrophobicContact CG-CE2 4.12Å; M157-F159 HydrophobicContact CG-CZ 3.64Å; M157-F159 HydrophobicContact SD-CE1 4.46Å
158V97.1Very high90.8Very high6 Ų684.1 Ų84.14%0.03639%0.388CS..EExtended strand (participates in β ladder)trans-107114.9177.6-172.70000109.2S4 K6 A108 V109 C110 K156S4-V158 CarbonylContact O-C 3.58Å; S4-V158 VanDerWaalsContact O-CA 3.29Å; S4-V158 WeakPolarHBondContact O-CA 3.47Å; S4-V158 WeakPolarHBondContact OG-CG2 3.45Å; K6-V158 HydrophobicContact CB-CG1 4.21Å; K6-V158 HydrophobicContact CD-CG1 3.64Å; K6-V158 HydrophobicContact CG-CG1 3.7Å; A108-V158 PolarHBondContact O-N 3.33Å; V109-V158 CarbonylContact C-O 3.51Å; V109-V158 WeakPolarHBondContact CA-O 3.43Å; V109-V158 HydrophobicContact CG2-CB 4.27Å; C110-V158 PolarHBondContact N-O 3.43Å; K156-V158 HydrophobicContact CG-CG2 4.29Å
159F97.5Very high91.6Very high2 Ų279.8 Ų79.81%0.00936%0.357CS..EExtended strand (participates in β ladder)trans-86.4130.2175.9-62.6-66.2000110.7F3 S4 V5 K6 C110 T113 V126 A129 V130 M157F3-F159 HydrophobicContact CD1-CD2 4.41Å; F3-F159 AromaticContact CD1-CE2 3.46Å; F3-F159 HydrophobicContact CD1-CE2 3.46Å; F3-F159 VanDerWaalsContact CD1-CE2 3.46Å; F3-F159 AromaticContact CD1-CZ 3.98Å; F3-F159 HydrophobicContact CD1-CZ 3.98Å; F3-F159 HydrophobicContact CE1-CE2 4Å; F3-F159 HydrophobicContact CE1-CZ 4.1Å; F3-F159 HydrophobicContact CG-CE2 4.39Å; S4-F159 PolarHBondContact O-N 2.83Å; V5-F159 CarbonylContact C-O 3.51Å; V5-F159 VanDerWaalsContact CA-O 3.27Å; V5-F159 WeakPolarHBondContact CA-O 3.39Å; V5-F159 HydrophobicContact CG1-CB 4.35Å; K6-F159 PolarHBondContact N-O 3.02Å; C110-F159 HydrophobicContact CB-CD1 3.82Å; C110-F159 HydrophobicContact CB-CE1 4.09Å; T113-F159 HydrophobicContact CG2-CB 4.07Å; T113-F159 HydrophobicContact CG2-CD1 3.72Å; T113-F159 HydrophobicContact CG2-CE1 4.48Å; T113-F159 HydrophobicContact CG2-CG 4.08Å; V126-F159 HydrophobicContact CG1-CD2 4.13Å; V126-F159 HydrophobicContact CG2-CB 4.44Å; A129-F159 HydrophobicContact CB-CD1 4.36Å; A129-F159 HydrophobicContact CB-CE1 3.58Å; A129-F159 HydrophobicContact CB-CE2 4.31Å; A129-F159 HydrophobicContact CB-CZ 3.55Å; V130-F159 HydrophobicContact CG2-CD2 4.44Å; V130-F159 HydrophobicContact CG2-CE2 3.65Å; V130-F159 HydrophobicContact CG2-CZ 4.46Å; M157-F159 HydrophobicContact CG-CD1 4.3Å; M157-F159 HydrophobicContact CG-CE1 3.73Å; M157-F159 HydrophobicContact CG-CE2 4.12Å; M157-F159 HydrophobicContact CG-CZ 3.64Å; M157-F159 HydrophobicContact SD-CE1 4.46Å
160N95.9Very high92.5Very high4 Ų472 Ų722%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-84.1136.2172.9-159.874000110.5K6 G8 C110 F111 T113 E114K6-N160 CarbonylContact O-C 3.57Å; K6-N160 WeakPolarHBondContact O-CA 3.47Å; K6-N160 PolarHBondContact O-OD1 2.79Å; G8-N160 PolarHBondContact N-OD1 3.47Å; G8-N160 VanDerWaalsContact N-OD1 3.15Å; G8-N160 PolarHBondContact O-OD1 3.2Å; C110-N160 PolarHBondContact O-N 3.13Å; F111-N160 HydrophobicContact CD1-CB 3.39Å; F111-N160 HydrophobicContact CE1-CB 3.52Å; F111-N160 HydrophobicContact CG-CB 4.08Å; F111-N160 HydrophobicContact CZ-CB 4.29Å; T113-N160 PolarHBondContact OG1-O 3.24Å; E114-N160 PolarHBondContact OE1-ND2 2.87Å
161V95Very high93.6Very high1 Ų174.7 Ų74.71%0.00633%0.329CS..  trans-110.6141.3169.2-63.50000109.8V5 K6 S7 V126 T163 E166 L167V5-V161 HydrophobicContact CB-CG1 4.49Å; V5-V161 HydrophobicContact CG1-CG1 4.35Å; K6-V161 WeakPolarHBondContact O-CG2 3.49Å; K6-V161 PolarHBondContact O-N 3.37Å; S7-V161 WeakPolarHBondContact CB-O 3.39Å; S7-V161 PolarHBondContact OG-O 2.85Å; V126-V161 HydrophobicContact CG2-CG1 4.31Å; V161-T163 VanDerWaalsContact C-N 3.26Å; V161-T163 WeakPolarHBondContact CG2-O 3.22Å; V161-T163 PolarHBondContact O-N 3.15Å; V161-E166 HydrophobicContact CB-CB 3.99Å; V161-E166 HydrophobicContact CG2-CB 4.09Å; V161-L167 HydrophobicContact CG2-CD2 3.89Å; V161-L167 HydrophobicContact CG2-CG 4.35Å
162P91.9Very high94.4Very high56 Ų5666.1 Ų66.136%0.36430%0.297SS..SBendtrans-53.5-39.5-174.9-28.733.5000114.2E114 N122 E166E114-P162 HydrophobicContact CG-CG 3.99Å; N122-P162 VanDerWaalsContact ND2-CD 3.3Å; N122-P162 WeakPolarHBondContact ND2-CD 3.48Å; N122-P162 WeakPolarHBondContact ND2-CG 3.48Å; P162-E166 VanDerWaalsContact CD-OE2 3.23Å; P162-E166 WeakPolarHBondContact CD-OE2 3.33Å
163T92.9Very high95Very high66 Ų6658.7 Ų58.741%0.40527%0.269SS..SBendtrans-130.2154.2-176.875.10000112.9S7 V161 R165 E166S7-T163 VanDerWaalsContact OG-C 3.31Å; V161-T163 VanDerWaalsContact C-N 3.26Å; V161-T163 WeakPolarHBondContact CG2-O 3.22Å; V161-T163 PolarHBondContact O-N 3.15Å; T163-R165 PolarHBondContact O-N 2.91Å; T163-R165 VanDerWaalsContact O-N 3.16Å; T163-R165 PolarHBondContact OG1-N 2.79Å; T163-E166 PolarHBondContact N-OE2 3.23Å; T163-E166 VanDerWaalsContact N-OE2 3.12Å; T163-E166 PolarHBondContact O-N 3.11Å; T163-E166 VanDerWaalsContact O-N 3.09Å; T163-E166 PolarHBondContact OG1-OE2 3.34Å
164R93.8Very high95.4Very high202 Ų20257.3 Ų57.376%0.76226%0.259SS*.G310 helixtrans-59.6-23.7173.4-72.8-176.9174.1176.2-3113.6S7 E166 L167S7-R164 PolarHBondContact OG-N 3.24Å; R164-E166 PolarHBondContact O-N 3.33Å; R164-L167 HydrophobicContact CB-CD1 4.21Å; R164-L167 HydrophobicContact CG-CD1 4.34Å; R164-L167 WeakPolarHBondContact O-CB 3.25Å; R164-L167 WeakPolarHBondContact O-CD1 3.04Å; R164-L167 WeakPolarHBondContact O-CG 3.29Å; R164-L167 PolarHBondContact O-N 3.04Å
165R94.1Very high95.7Very high234 Ų23462 Ų6288%0.88328%0.281SS*.G310 helixtrans-67.8-23.4177.8-66.2-178.1179174.1-0.7112.3T163T163-R165 PolarHBondContact O-N 2.91Å; T163-R165 VanDerWaalsContact O-N 3.16Å; T163-R165 PolarHBondContact OG1-N 2.79Å
166E94.4Very high95.9Very high47 Ų4755 Ų5522%0.2225%0.254CS..G310 helixtrans-92.73.9-178.5-63.1171.7124.700112.9N122 V161 P162 T163 R164 S169 G170N122-E166 VanDerWaalsContact ND2-CD 3.29Å; N122-E166 PolarHBondContact ND2-OE1 3.38Å; N122-E166 PolarHBondContact ND2-OE2 2.98Å; V161-E166 HydrophobicContact CB-CB 3.99Å; V161-E166 HydrophobicContact CG2-CB 4.09Å; P162-E166 VanDerWaalsContact CD-OE2 3.23Å; P162-E166 WeakPolarHBondContact CD-OE2 3.33Å; T163-E166 PolarHBondContact N-OE2 3.23Å; T163-E166 VanDerWaalsContact N-OE2 3.12Å; T163-E166 PolarHBondContact O-N 3.11Å; T163-E166 VanDerWaalsContact O-N 3.09Å; T163-E166 PolarHBondContact OG1-OE2 3.34Å; R164-E166 PolarHBondContact O-N 3.33Å; E166-S169 PolarHBondContact O-OG 3.02Å; E166-G170 PolarHBondContact O-N 3.16Å
167L95.9Very high96Very high47 Ų4751.8 Ų51.825%0.24624%0.241CC..Hα-helixtrans-61.5-47.3175.4-70.8171.4000110.6V5 V161 R164 S169 G170 E171V5-L167 HydrophobicContact CG2-CD2 4.11Å; V161-L167 HydrophobicContact CG2-CD2 3.89Å; V161-L167 HydrophobicContact CG2-CG 4.35Å; R164-L167 HydrophobicContact CB-CD1 4.21Å; R164-L167 HydrophobicContact CG-CD1 4.34Å; R164-L167 WeakPolarHBondContact O-CB 3.25Å; R164-L167 WeakPolarHBondContact O-CD1 3.04Å; R164-L167 WeakPolarHBondContact O-CG 3.29Å; R164-L167 PolarHBondContact O-N 3.04Å; L167-S169 PolarHBondContact O-N 2.78Å; L167-G170 CarbonylContact O-C 3.55Å; L167-G170 PolarHBondContact O-N 2.65Å; L167-E171 WeakPolarHBondContact O-CG 3.22Å; L167-E171 PolarHBondContact O-N 2.82Å
168T95.6Very high96.1Very high90 Ų9054.2 Ų54.255%0.55225%0.253SS*.Hα-helixtrans-62-46-179.4-49.50000112.3G170 E171 R172T168-G170 VanDerWaalsContact C-N 3.33Å; T168-E171 PolarHBondContact O-N 2.78Å; T168-R172 WeakPolarHBondContact O-CB 3.31Å; T168-R172 PolarHBondContact O-N 3.42Å
169S95.3Very high96.2Very high21 Ų2153.9 Ų53.915%0.14725%0.252CS..Hα-helixtrans-68.6-34.2177.459.40000111.6E166 L167 A173E166-S169 PolarHBondContact O-OG 3.02Å; L167-S169 PolarHBondContact O-N 2.78Å; S169-A173 VanDerWaalsContact O-CB 3.32Å; S169-A173 WeakPolarHBondContact O-CB 3.17Å; S169-A173 PolarHBondContact O-N 3.49Å
170G96.8Very high96.3Very high1 Ų153.8 Ų53.81%0.0125%0.251CS..Hα-helixtrans-65.3-41.6172.500000113.9E166 L167 T168 A173 I174E166-G170 PolarHBondContact O-N 3.16Å; L167-G170 CarbonylContact O-C 3.55Å; L167-G170 PolarHBondContact O-N 2.65Å; T168-G170 VanDerWaalsContact C-N 3.33Å; G170-A173 WeakPolarHBondContact O-CB 3.47Å; G170-A173 PolarHBondContact O-N 2.78Å; G170-I174 WeakPolarHBondContact O-CG1 3.09Å; G170-I174 PolarHBondContact O-N 2.61Å
171E97.2Very high96.4Very high114 Ų11454 Ų5453%0.53325%0.254SS..Hα-helixtrans-63.9-45174.7-73.5171.717600110.9V5 L167 T168 A173 I174 Q175V5-E171 HydrophobicContact CG2-CB 4.48Å; V5-E171 HydrophobicContact CG2-CG 3.57Å; L167-E171 WeakPolarHBondContact O-CG 3.22Å; L167-E171 PolarHBondContact O-N 2.82Å; T168-E171 PolarHBondContact O-N 2.78Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.98Å; E171-I174 WeakPolarHBondContact O-CB 3.44Å; E171-I174 PolarHBondContact O-N 3.3Å; E171-Q175 PolarHBondContact O-N 2.9Å
172R96.6Very high96.6Very high72 Ų7254.8 Ų54.827%0.27226%0.26SS..Hα-helixtrans-60-42.6173.5-168.7-173.2-58.5172.3-3.4111.7Y123 T168 I174 Q175 H176 E503Y123-R172 HydrophobicContact CE2-CG 4.44Å; T168-R172 WeakPolarHBondContact O-CB 3.31Å; T168-R172 PolarHBondContact O-N 3.42Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 PolarHBondContact O-N 3.43Å; R172-Q175 PolarHBondContact O-N 2.82Å; R172-H176 PolarHBondContact O-N 3.31Å; R172-E503 IonicContact CZ-OE2 3.74Å; R172-E503 IonicContact NH1-OE2 2.79Å; R172-E503 PolarHBondContact NH1-OE2 3.02Å; R172-E503 IonicContact NH2-OE2 3.13Å
173A97.5Very high96.9Very high0 Ų052.1 Ų52.10%024%0.243CC..Hα-helixtrans-60.2-40.2175.900000112.3Y123 V126 R127 S169 G170 E171 G177Y123-A173 HydrophobicContact CD2-CB 3.52Å; Y123-A173 HydrophobicContact CE2-CB 3.91Å; Y123-A173 HydrophobicContact CG-CB 4.21Å; Y123-A173 VanDerWaalsContact O-CB 3.3Å; Y123-A173 WeakPolarHBondContact O-CB 3.4Å; V126-A173 HydrophobicContact CB-CB 3.77Å; V126-A173 HydrophobicContact CG1-CB 3.73Å; R127-A173 HydrophobicContact CB-CB 4.02Å; S169-A173 VanDerWaalsContact O-CB 3.32Å; S169-A173 WeakPolarHBondContact O-CB 3.17Å; S169-A173 PolarHBondContact O-N 3.49Å; G170-A173 WeakPolarHBondContact O-CB 3.47Å; G170-A173 PolarHBondContact O-N 2.78Å; E171-A173 VanDerWaalsContact C-N 3.33Å; E171-A173 PolarHBondContact O-N 2.98Å; A173-G177 PolarHBondContact O-N 3.08Å
174I98.4Very high97.2Very high13 Ų1350.1 Ų50.17%0.06723%0.229CC..Hα-helixtrans-64.4-47.9174.2-71.5175.2000110.7F3 S4 V5 V126 V130 G170 E171 R172 H176 G177 L178F3-I174 HydrophobicContact CB-CD1 4.01Å; F3-I174 HydrophobicContact CB-CG1 4.27Å; F3-I174 HydrophobicContact CB-CG2 3.85Å; S4-I174 VanDerWaalsContact CA-CD1 3.48Å; V5-I174 HydrophobicContact CB-CD1 4.43Å; V5-I174 HydrophobicContact CG1-CD1 3.59Å; V5-I174 HydrophobicContact CG1-CG1 4.27Å; V126-I174 HydrophobicContact CG1-CD1 4.46Å; V126-I174 HydrophobicContact CG1-CG1 3.71Å; V130-I174 HydrophobicContact CG2-CG1 4.06Å; G170-I174 WeakPolarHBondContact O-CG1 3.09Å; G170-I174 PolarHBondContact O-N 2.61Å; E171-I174 WeakPolarHBondContact O-CB 3.44Å; E171-I174 PolarHBondContact O-N 3.3Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 PolarHBondContact O-N 3.43Å; I174-H176 PolarHBondContact O-N 3.25Å; I174-G177 PolarHBondContact O-N 3.27Å; I174-L178 HydrophobicContact CG2-CD1 3.73Å; I174-L178 HydrophobicContact CG2-CG 4.2Å; I174-L178 VanDerWaalsContact O-CB 3.3Å; I174-L178 WeakPolarHBondContact O-CB 3.13Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.5Å
175Q97.9Very high97.4Very high103 Ų10345 Ų4548%0.48121%0.213SC..Hα-helixtrans-57.3-51.5178.9-175.6-171.9-8.300111.1E171 R172 L178 A179 L310E171-Q175 PolarHBondContact O-N 2.9Å; R172-Q175 PolarHBondContact O-N 2.82Å; Q175-L178 PolarHBondContact O-N 2.9Å; Q175-A179 PolarHBondContact O-N 2.76Å; Q175-A179 VanDerWaalsContact O-N 3.08Å; Q175-L310 HydrophobicContact CG-CD2 3.71Å
176H98.3Very high97.6Very high7 Ų734.1 Ų34.13%0.03217%0.173CC..Hα-helixtrans-62.6-46.4178.5-67.5179.2000111.7Y123 R172 I174 L178 A179 I180Y123-H176 AromaticContact CE2-ND1 3.79Å; Y123-H176 AromaticContact CZ-ND1 3.71Å; Y123-H176 PolarHBondContact OH-ND1 2.99Å; R172-H176 PolarHBondContact O-N 3.31Å; I174-H176 PolarHBondContact O-N 3.25Å; H176-L178 VanDerWaalsContact C-N 3.31Å; H176-L178 PolarHBondContact O-N 3.21Å; H176-A179 PolarHBondContact O-N 2.94Å; H176-I180 WeakPolarHBondContact O-CB 3.24Å; H176-I180 VanDerWaalsContact O-CG1 3.23Å; H176-I180 WeakPolarHBondContact O-CG1 3Å; H176-I180 PolarHBondContact O-N 3.23Å
177G98.3Very high97.9Very high0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-62.6-36.5179.100000113.1A173 I174 A181A173-G177 PolarHBondContact O-N 3.08Å; I174-G177 PolarHBondContact O-N 3.27Å; G177-A181 WeakPolarHBondContact O-CB 3.11Å; G177-A181 PolarHBondContact O-N 3.4Å
178L98.6Very high98Very high52 Ų5230.2 Ų30.227%0.27215%0.153SC..Hα-helixtrans-66.9-48.7176-80176000112.1F3 V130 I174 Q175 H176 A181 A182F3-L178 HydrophobicContact CD2-CD2 3.74Å; F3-L178 HydrophobicContact CD2-CG 4.39Å; F3-L178 HydrophobicContact CE2-CD2 3.86Å; V130-L178 HydrophobicContact CG1-CD2 3.97Å; V130-L178 HydrophobicContact CG1-CG 3.99Å; I174-L178 HydrophobicContact CG2-CD1 3.73Å; I174-L178 HydrophobicContact CG2-CG 4.2Å; I174-L178 VanDerWaalsContact O-CB 3.3Å; I174-L178 WeakPolarHBondContact O-CB 3.13Å; I174-L178 VanDerWaalsContact O-CG 3.29Å; I174-L178 WeakPolarHBondContact O-CG 3.45Å; I174-L178 PolarHBondContact O-N 3.5Å; Q175-L178 PolarHBondContact O-N 2.9Å; H176-L178 VanDerWaalsContact C-N 3.31Å; H176-L178 PolarHBondContact O-N 3.21Å; L178-A181 PolarHBondContact O-N 3.16Å; L178-A182 WeakPolarHBondContact O-CB 3.29Å; L178-A182 PolarHBondContact O-N 2.94Å
179A98.6Very high98.1Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-65.2-40.9-179.500000111.7Q175 H176 A182 G183 M306 E309 L310Q175-A179 PolarHBondContact O-N 2.76Å; Q175-A179 VanDerWaalsContact O-N 3.08Å; H176-A179 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 2.95Å; A179-G183 PolarHBondContact O-N 3.47Å; A179-M306 HydrophobicContact CB-CG 3.97Å; A179-E309 HydrophobicContact CB-CB 4.31Å; A179-E309 HydrophobicContact CB-CG 4.12Å; A179-L310 HydrophobicContact CB-CD1 4.09Å; A179-L310 HydrophobicContact CB-CD2 3.51Å; A179-L310 HydrophobicContact CB-CG 3.54Å
180I98.8Very high98.3Very high0 Ų026.2 Ų26.20%013%0.127CC..Hα-helixtrans-63.8-46.8175.1-68.1171.6000110.8R127 E131 H176 A182 G183 I184 M306 A490 L494R127-I180 VanDerWaalsContact NE-CD1 3.35Å; E131-I180 HydrophobicContact CG-CB 4.49Å; E131-I180 HydrophobicContact CG-CG2 4.25Å; H176-I180 WeakPolarHBondContact O-CB 3.24Å; H176-I180 VanDerWaalsContact O-CG1 3.23Å; H176-I180 WeakPolarHBondContact O-CG1 3Å; H176-I180 PolarHBondContact O-N 3.23Å; I180-A182 VanDerWaalsContact C-N 3.27Å; I180-A182 PolarHBondContact O-N 3.25Å; I180-G183 PolarHBondContact O-N 3.37Å; I180-G183 VanDerWaalsContact O-N 3.15Å; I180-I184 HydrophobicContact CG2-CD1 3.86Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.2Å; I180-I184 PolarHBondContact O-N 3.05Å; I180-M306 HydrophobicContact CG1-CG 3.88Å; I180-A490 HydrophobicContact CD1-CB 3.99Å; I180-A490 HydrophobicContact CG1-CB 3.73Å; I180-A490 HydrophobicContact CG2-CB 4.49Å; I180-L494 HydrophobicContact CD1-CD1 4Å
181A98.7Very high98.4Very high9 Ų926.2 Ų26.27%0.07413%0.127CC..Hα-helixtrans-63.2-34176.800000112.7K134 G177 L178 K185K134-A181 HydrophobicContact CB-CB 3.55Å; K134-A181 HydrophobicContact CG-CB 3.66Å; G177-A181 WeakPolarHBondContact O-CB 3.11Å; G177-A181 PolarHBondContact O-N 3.4Å; L178-A181 PolarHBondContact O-N 3.16Å; A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.45Å; A181-K185 PolarHBondContact O-N 3.3Å
182A98.6Very high98.5Very high17 Ų1721.3 Ų21.314%0.1410%0.104CC..Hα-helixtrans-66.3-40.1173.600000111.7L178 A179 I180 A186L178-A182 WeakPolarHBondContact O-CB 3.29Å; L178-A182 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 2.95Å; I180-A182 VanDerWaalsContact C-N 3.27Å; I180-A182 PolarHBondContact O-N 3.25Å; A182-A186 WeakPolarHBondContact O-CB 3.07Å; A182-A186 PolarHBondContact O-N 3.39Å
183G98.8Very high98.5Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-62.5-48171.800000112.9A179 I180 K185 A186 A187 G302A179-G183 PolarHBondContact O-N 3.47Å; I180-G183 PolarHBondContact O-N 3.37Å; I180-G183 VanDerWaalsContact O-N 3.15Å; G183-K185 PolarHBondContact O-N 3.49Å; G183-A186 WeakPolarHBondContact O-CB 3.35Å; G183-A186 PolarHBondContact O-N 3.49Å; G183-A187 PolarHBondContact O-N 3.28Å; G183-G302 WeakPolarHBondContact CA-O 3.35Å; G183-G302 VanDerWaalsContact O-CA 3.31Å; G183-G302 WeakPolarHBondContact O-CA 3.11Å
184I98.9Very high98.6Very high24 Ų2419.8 Ų19.812%0.12310%0.103CC..Hα-helixtrans-59.2-47.8175.7-69.1167.4000110I180 A186 A187 K188 V486 A487I180-I184 HydrophobicContact CG2-CD1 3.86Å; I180-I184 HydrophobicContact CG2-CG1 4.41Å; I180-I184 WeakPolarHBondContact O-CG1 3.2Å; I180-I184 PolarHBondContact O-N 3.05Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 3.03Å; I184-A187 PolarHBondContact O-N 3.28Å; I184-K188 HydrophobicContact CG2-CD 3.83Å; I184-K188 HydrophobicContact CG2-CG 4.32Å; I184-K188 VanDerWaalsContact O-CG 3.28Å; I184-K188 WeakPolarHBondContact O-CG 3.4Å; I184-K188 PolarHBondContact O-N 3.48Å; I184-V486 HydrophobicContact CG1-CB 3.83Å; I184-V486 HydrophobicContact CG1-CG1 3.83Å; I184-A487 HydrophobicContact CD1-CB 4.29Å
185K98.7Very high98.6Very high95 Ų9520.6 Ų20.641%0.41311%0.109SC..Hα-helixtrans-56.9-47176.7-178.8-175.3-175.2-60.30111Y138 A181 G183 A187 K188 D189Y138-K185 HydrophobicContact CD2-CG 4.06Å; Y138-K185 HydrophobicContact CE2-CG 4.06Å; A181-K185 VanDerWaalsContact O-CB 3.28Å; A181-K185 WeakPolarHBondContact O-CB 3.45Å; A181-K185 PolarHBondContact O-N 3.3Å; G183-K185 PolarHBondContact O-N 3.49Å; K185-A187 VanDerWaalsContact C-N 3.35Å; K185-A187 PolarHBondContact O-N 3.11Å; K185-K188 PolarHBondContact O-N 3.06Å; K185-D189 IonicContact NZ-OD1 3.49Å; K185-D189 PolarHBondContact NZ-OD1 2.87Å; K185-D189 IonicContact NZ-OD2 3.52Å; K185-D189 PolarHBondContact NZ-OD2 3.31Å; K185-D189 WeakPolarHBondContact O-CB 3.16Å; K185-D189 VanDerWaalsContact O-CG 3.24Å; K185-D189 PolarHBondContact O-N 3.39Å
186A98.7Very high98.5Very high5 Ų522 Ų224%0.04112%0.119CC..Hα-helixtrans-60.6-43.9179.200000112.1A182 G183 I184 K188 D189 L190 Y301A182-A186 WeakPolarHBondContact O-CB 3.07Å; A182-A186 PolarHBondContact O-N 3.39Å; G183-A186 WeakPolarHBondContact O-CB 3.35Å; G183-A186 PolarHBondContact O-N 3.49Å; I184-A186 VanDerWaalsContact C-N 3.32Å; I184-A186 PolarHBondContact O-N 3.03Å; A186-K188 VanDerWaalsContact C-N 3.35Å; A186-K188 PolarHBondContact O-N 2.69Å; A186-D189 PolarHBondContact O-N 3.35Å; A186-L190 WeakPolarHBondContact O-CG 3.02Å; A186-L190 PolarHBondContact O-N 2.87Å; A186-Y301 HydrophobicContact CB-CD1 4.16Å; A186-Y301 HydrophobicContact CB-CE1 3.9Å
187A98.9Very high98.5Very high3 Ų324.6 Ų24.63%0.02513%0.133CC..Hα-helixtrans-62.4-41.517500000112G183 I184 K185 L190 G191 A298 V486G183-A187 PolarHBondContact O-N 3.28Å; I184-A187 PolarHBondContact O-N 3.28Å; K185-A187 VanDerWaalsContact C-N 3.35Å; K185-A187 PolarHBondContact O-N 3.11Å; A187-L190 PolarHBondContact O-N 3.25Å; A187-G191 PolarHBondContact O-N 2.62Å; A187-A298 WeakPolarHBondContact CA-O 3.4Å; A187-A298 HydrophobicContact CB-CB 4.24Å; A187-A298 VanDerWaalsContact CB-O 3.25Å; A187-A298 WeakPolarHBondContact CB-O 3.47Å; A187-V486 HydrophobicContact CB-CG2 3.89Å
188K98.8Very high98.6Very high8 Ų824.8 Ų24.84%0.03513%0.134CC..Hα-helixtrans-67.3-41176.4-66.6175.182.7-179.90112.2E135 Y138 I184 K185 A186 L190 G191 N192 A481E135-K188 IonicContact OE1-NZ 3.13Å; E135-K188 PolarHBondContact OE1-NZ 3.44Å; E135-K188 IonicContact OE2-NZ 2.88Å; E135-K188 PolarHBondContact OE2-NZ 2.64Å; Y138-K188 HydrophobicContact CD1-CD 4.32Å; Y138-K188 HydrophobicContact CD2-CB 4.49Å; Y138-K188 HydrophobicContact CD2-CD 4.24Å; Y138-K188 HydrophobicContact CE1-CB 4.2Å; Y138-K188 HydrophobicContact CE1-CD 4.31Å; Y138-K188 HydrophobicContact CE2-CB 3.69Å; Y138-K188 HydrophobicContact CE2-CD 4.24Å; Y138-K188 HydrophobicContact CG-CD 4.28Å; Y138-K188 WeakPolarHBondContact OH-CB 3.41Å; Y138-K188 PolarHBondContact OH-O 3.36Å; I184-K188 HydrophobicContact CG2-CD 3.83Å; I184-K188 HydrophobicContact CG2-CG 4.32Å; I184-K188 VanDerWaalsContact O-CG 3.28Å; I184-K188 WeakPolarHBondContact O-CG 3.4Å; I184-K188 PolarHBondContact O-N 3.48Å; K185-K188 PolarHBondContact O-N 3.06Å; A186-K188 VanDerWaalsContact C-N 3.35Å; A186-K188 PolarHBondContact O-N 2.69Å; K188-L190 VanDerWaalsContact C-N 3.32Å; K188-L190 PolarHBondContact O-N 3.14Å; K188-G191 PolarHBondContact O-N 3.46Å; K188-N192 WeakPolarHBondContact O-CB 3.21Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 2.91Å; K188-A481 WeakPolarHBondContact CE-O 3.43Å
189D98.7Very high98.6Very high23 Ų2323.8 Ų23.812%0.12313%0.129CC..Hα-helixtrans-60.9-45.2177.7-71.9-27.6000110.2F140 K185 A186 M193F140-D189 WeakPolarHBondContact CE2-O 3.31Å; K185-D189 IonicContact NZ-OD1 3.49Å; K185-D189 PolarHBondContact NZ-OD1 2.87Å; K185-D189 IonicContact NZ-OD2 3.52Å; K185-D189 PolarHBondContact NZ-OD2 3.31Å; K185-D189 WeakPolarHBondContact O-CB 3.16Å; K185-D189 VanDerWaalsContact O-CG 3.24Å; K185-D189 PolarHBondContact O-N 3.39Å; A186-D189 PolarHBondContact O-N 3.35Å; D189-M193 WeakPolarHBondContact O-CB 3.34Å; D189-M193 PolarHBondContact O-N 3.3Å; D189-M193 VanDerWaalsContact O-N 3.11Å
190L98.8Very high98.6Very high5 Ų523.9 Ų23.93%0.02613%0.13CC..Hα-helixtrans-59.5-54.4174.9-77.7-176.2000112.4A186 A187 K188 N192 M193 Y202 L203 Q206 M294 A298 Y301A186-L190 WeakPolarHBondContact O-CG 3.02Å; A186-L190 PolarHBondContact O-N 2.87Å; A187-L190 PolarHBondContact O-N 3.25Å; K188-L190 VanDerWaalsContact C-N 3.32Å; K188-L190 PolarHBondContact O-N 3.14Å; L190-N192 VanDerWaalsContact C-N 3.28Å; L190-N192 PolarHBondContact O-N 3.21Å; L190-M193 WeakPolarHBondContact O-CB 3.46Å; L190-M193 PolarHBondContact O-N 3Å; L190-Y202 HydrophobicContact CD2-CD1 4.14Å; L190-Y202 HydrophobicContact CD2-CE1 3.68Å; L190-L203 HydrophobicContact CD1-CD2 4.01Å; L190-L203 HydrophobicContact CD2-CD2 4.05Å; L190-Q206 HydrophobicContact CD2-CG 3.98Å; L190-M294 HydrophobicContact CB-CE 4.07Å; L190-M294 HydrophobicContact CB-SD 4.32Å; L190-A298 HydrophobicContact CB-CB 3.79Å; L190-A298 HydrophobicContact CD1-CB 4.05Å; L190-Y301 HydrophobicContact CD1-CD1 3.4Å; L190-Y301 HydrophobicContact CD1-CE1 4.08Å; L190-Y301 HydrophobicContact CD1-CG 3.87Å; L190-Y301 HydrophobicContact CG-CD1 4.31Å
191G98.6Very high98.6Very high0 Ų026.3 Ų26.30%015%0.15CC..Hα-helixtrans-67.2-27.1-177.700000113.7A187 K188 Y292A187-G191 PolarHBondContact O-N 2.62Å; K188-G191 PolarHBondContact O-N 3.46Å; G191-Y292 WeakPolarHBondContact O-CD1 3.49Å; G191-Y292 WeakPolarHBondContact O-CE1 3.29Å
192N98.6Very high98.6Very high12 Ų1228.5 Ų28.56%0.06416%0.157CC..Hα-helixtrans-83.1-20.2177.4-71.5-49.3000113.4Y138 F140 K188 L190 K291 G480 A481Y138-N192 PolarHBondContact OH-ND2 2.89Å; F140-N192 HydrophobicContact CB-CB 4.4Å; F140-N192 HydrophobicContact CD1-CB 3.83Å; F140-N192 HydrophobicContact CD2-CB 3.74Å; F140-N192 HydrophobicContact CE1-CB 3.97Å; F140-N192 HydrophobicContact CE2-CB 3.88Å; F140-N192 HydrophobicContact CG-CB 3.71Å; F140-N192 HydrophobicContact CZ-CB 4Å; K188-N192 WeakPolarHBondContact O-CB 3.21Å; K188-N192 PolarHBondContact O-N 2.8Å; K188-N192 PolarHBondContact O-ND2 2.91Å; L190-N192 VanDerWaalsContact C-N 3.28Å; L190-N192 PolarHBondContact O-N 3.21Å; N192-K291 PolarHBondContact O-NZ 2.97Å; N192-G480 WeakPolarHBondContact OD1-CA 3.39Å; N192-A481 PolarHBondContact OD1-N 2.85Å
193M98.5Very high98.6Very high11 Ų1127.8 Ų27.85%0.05415%0.151CC..SBendtrans-63.9135.4175.7-162.766.571.700110.4F140 L143 D189 L190 I197 C198F140-M193 HydrophobicContact CE2-CE 4.28Å; F140-M193 HydrophobicContact CZ-CB 4.43Å; F140-M193 HydrophobicContact CZ-CE 4.1Å; F140-M193 HydrophobicContact CZ-SD 4.1Å; L143-M193 HydrophobicContact CD1-SD 4.11Å; L143-M193 HydrophobicContact CD2-SD 4.33Å; D189-M193 WeakPolarHBondContact O-CB 3.34Å; D189-M193 PolarHBondContact O-N 3.3Å; D189-M193 VanDerWaalsContact O-N 3.11Å; L190-M193 WeakPolarHBondContact O-CB 3.46Å; L190-M193 PolarHBondContact O-N 3Å; M193-I197 HydrophobicContact CG-CB 3.97Å; M193-I197 HydrophobicContact CG-CG2 3.79Å; M193-I197 HydrophobicContact SD-CB 4.27Å; M193-I197 HydrophobicContact SD-CD1 4.16Å; M193-I197 HydrophobicContact SD-CG2 3.89Å; M193-C198 HydrophobicContact CB-CB 3.64Å; M193-C198 HydrophobicContact CG-CB 3.63Å
194P98.2Very high98.6Very high28 Ų2827.8 Ų27.818%0.18215%0.151CC..  trans-73.9153.7-178.333.5-38000111.1L143 N196 I197 C198L143-P194 HydrophobicContact CD1-CG 3.69Å; P194-N196 VanDerWaalsContact C-N 3.26Å; P194-N196 VanDerWaalsContact CB-OD1 3.25Å; P194-N196 WeakPolarHBondContact CB-OD1 3.48Å; P194-N196 VanDerWaalsContact CG-OD1 3.31Å; P194-N196 WeakPolarHBondContact CG-OD1 3.27Å; P194-N196 PolarHBondContact O-N 3.28Å; P194-I197 HydrophobicContact CG-CB 4.44Å; P194-I197 HydrophobicContact CG-CD1 3.95Å; P194-I197 HydrophobicContact CG-CG1 4.21Å; P194-I197 PolarHBondContact O-N 3.43Å; P194-C198 PolarHBondContact O-N 3.02Å
195P97.8Very high98.6Very high30 Ų3029 Ų2920%0.19516%0.161CC..THydrogen-bonded Turntrans-65.5-25.6-171.827.3-37.3000113.6I197 F274 K291P195-I197 PolarHBondContact O-N 2.79Å; P195-I197 VanDerWaalsContact O-N 3.15Å; P195-F274 HydrophobicContact CB-CB 3.89Å; P195-F274 HydrophobicContact CB-CD2 3.89Å; P195-F274 HydrophobicContact CB-CG 4.21Å; P195-F274 HydrophobicContact CG-CD2 3.62Å; P195-F274 HydrophobicContact CG-CE2 4.16Å; P195-F274 HydrophobicContact CG-CG 4.31Å; P195-K291 HydrophobicContact CG-CB 4.47Å
196N97.7Very high98.6Very high132 Ų13226 Ų2671%0.70615%0.148SC*.THydrogen-bonded Turntrans-68.5-8.6173.471.3-59.7000113.8P194P194-N196 VanDerWaalsContact C-N 3.26Å; P194-N196 VanDerWaalsContact CB-OD1 3.25Å; P194-N196 WeakPolarHBondContact CB-OD1 3.48Å; P194-N196 VanDerWaalsContact CG-OD1 3.31Å; P194-N196 WeakPolarHBondContact CG-OD1 3.27Å; P194-N196 PolarHBondContact O-N 3.28Å
197I98.4Very high98.5Very high63 Ų6325.7 Ų25.732%0.32315%0.146SC..THydrogen-bonded Turntrans-115-50.9171.8-61.2175000109.5L143 M193 P194 P195 N199 Y202L143-I197 HydrophobicContact CD1-CD1 4.35Å; L143-I197 HydrophobicContact CD2-CD1 3.83Å; M193-I197 HydrophobicContact CG-CB 3.97Å; M193-I197 HydrophobicContact CG-CG2 3.79Å; M193-I197 HydrophobicContact SD-CB 4.27Å; M193-I197 HydrophobicContact SD-CD1 4.16Å; M193-I197 HydrophobicContact SD-CG2 3.89Å; P194-I197 HydrophobicContact CG-CB 4.44Å; P194-I197 HydrophobicContact CG-CD1 3.95Å; P194-I197 HydrophobicContact CG-CG1 4.21Å; P194-I197 PolarHBondContact O-N 3.43Å; P195-I197 PolarHBondContact O-N 2.79Å; P195-I197 VanDerWaalsContact O-N 3.15Å; I197-N199 PolarHBondContact O-N 3.21Å; I197-Y202 HydrophobicContact CG2-CD2 4.09Å; I197-Y202 HydrophobicContact CG2-CE2 4Å; I197-Y202 VanDerWaalsContact O-CB 3.24Å; I197-Y202 WeakPolarHBondContact O-CB 3.45Å
198C98.5Very high98.5Very high3 Ų331.6 Ų31.62%0.0217%0.168CC..SBendtrans-91.873.1-176.3-167.30000111.3M193 P194 Y202 T273M193-C198 HydrophobicContact CB-CB 3.64Å; M193-C198 HydrophobicContact CG-CB 3.63Å; P194-C198 PolarHBondContact O-N 3.02Å; C198-Y202 HydrophobicContact CB-CD1 4.01Å; C198-Y202 HydrophobicContact CB-CE1 4.48Å; C198-Y202 HydrophobicContact CB-CG 4.43Å; C198-Y202 VanDerWaalsContact SG-CD1 3.57Å; C198-T273 WeakPolarHBondContact O-CB 3.1Å; C198-T273 WeakPolarHBondContact O-CG2 3.25Å
199N98.6Very high98.5Very high31 Ų3136.1 Ų36.117%0.16619%0.189CC..SBendtrans-96.1-176168.164.115.7000110.9I197 A201 Y202 L203 N245I197-N199 PolarHBondContact O-N 3.21Å; N199-A201 PolarHBondContact O-N 3.28Å; N199-A201 WeakPolarHBondContact OD1-CB 3.45Å; N199-A201 PolarHBondContact OD1-N 3.3Å; N199-A201 VanDerWaalsContact OD1-N 3.16Å; N199-Y202 WeakPolarHBondContact O-CB 3.25Å; N199-Y202 PolarHBondContact O-N 3.38Å; N199-Y202 PolarHBondContact OD1-N 3.5Å; N199-Y202 VanDerWaalsContact OD1-N 3.07Å; N199-L203 PolarHBondContact O-N 3.35Å; N199-L203 VanDerWaalsContact O-N 3.09Å; N199-N245 HydrophobicContact CB-CB 4.38Å; N199-N245 PolarHBondContact ND2-OD1 3.11Å
200A98.7Very high98.5Very high2 Ų235.2 Ų35.22%0.01718%0.184CC..Hα-helixtrans-57.9-33.3-179.500000113.2L203 A204 E246 L248A200-L203 PolarHBondContact O-N 2.87Å; A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 2.84Å; A200-E246 WeakPolarHBondContact CB-O 3.18Å; A200-L248 HydrophobicContact CB-CB 4.02Å; A200-L248 HydrophobicContact CB-CG 4.39Å
201A98.7Very high98.4Very high51 Ų5135.5 Ų35.542%0.42119%0.187SC..Hα-helixtrans-67.7-37.5175.800000112.2N199 A204 S205 L248N199-A201 PolarHBondContact O-N 3.28Å; N199-A201 WeakPolarHBondContact OD1-CB 3.45Å; N199-A201 PolarHBondContact OD1-N 3.3Å; N199-A201 VanDerWaalsContact OD1-N 3.16Å; A201-A204 PolarHBondContact O-N 2.91Å; A201-S205 WeakPolarHBondContact O-CB 3.35Å; A201-S205 PolarHBondContact O-N 3.29Å; A201-L248 HydrophobicContact CB-CD1 3.98Å
202Y98.8Very high98.4Very high56 Ų5641.4 Ų41.422%0.2222%0.219CC..Hα-helixtrans-63.5-45172.7-173.4-89.3000111.5L190 I197 C198 N199 A204 S205 Q206L190-Y202 HydrophobicContact CD2-CD1 4.14Å; L190-Y202 HydrophobicContact CD2-CE1 3.68Å; I197-Y202 HydrophobicContact CG2-CD2 4.09Å; I197-Y202 HydrophobicContact CG2-CE2 4Å; I197-Y202 VanDerWaalsContact O-CB 3.24Å; I197-Y202 WeakPolarHBondContact O-CB 3.45Å; C198-Y202 HydrophobicContact CB-CD1 4.01Å; C198-Y202 HydrophobicContact CB-CE1 4.48Å; C198-Y202 HydrophobicContact CB-CG 4.43Å; C198-Y202 VanDerWaalsContact SG-CD1 3.57Å; N199-Y202 WeakPolarHBondContact O-CB 3.25Å; N199-Y202 PolarHBondContact O-N 3.38Å; N199-Y202 PolarHBondContact OD1-N 3.5Å; N199-Y202 VanDerWaalsContact OD1-N 3.07Å; Y202-A204 VanDerWaalsContact C-N 3.32Å; Y202-A204 PolarHBondContact O-N 3.32Å; Y202-S205 WeakPolarHBondContact O-CB 3.37Å; Y202-S205 PolarHBondContact O-N 2.88Å; Y202-S205 VanDerWaalsContact O-N 3.11Å; Y202-S205 PolarHBondContact O-OG 3.04Å; Y202-Q206 HydrophobicContact CD1-CG 4.06Å; Y202-Q206 HydrophobicContact CE1-CG 3.7Å; Y202-Q206 WeakPolarHBondContact O-CG 3.5Å; Y202-Q206 PolarHBondContact O-N 2.89Å
203L98.7Very high98.4Very high2 Ų244.8 Ų44.81%0.0124%0.243CC..Hα-helixtrans-57.7-45.2174.5-73176000112.3L190 N199 A200 S205 Q206 A207 T273 M294 A297L190-L203 HydrophobicContact CD1-CD2 4.01Å; L190-L203 HydrophobicContact CD2-CD2 4.05Å; N199-L203 PolarHBondContact O-N 3.35Å; N199-L203 VanDerWaalsContact O-N 3.09Å; A200-L203 PolarHBondContact O-N 2.87Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 3.12Å; L203-Q206 PolarHBondContact O-N 3.49Å; L203-A207 PolarHBondContact O-N 3.17Å; L203-T273 HydrophobicContact CD1-CG2 3.64Å; L203-T273 HydrophobicContact CG-CG2 4.28Å; L203-M294 HydrophobicContact CD1-CE 3.8Å; L203-M294 HydrophobicContact CD2-CE 3.13Å; L203-M294 HydrophobicContact CG-CE 3.88Å; L203-A297 HydrophobicContact CD1-CB 4.39Å
204A98.8Very high98.3Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-62-37.6175.800000112.4A200 A201 Y202 A207 R208 V222 L248 S250A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 2.84Å; A201-A204 PolarHBondContact O-N 2.91Å; Y202-A204 VanDerWaalsContact C-N 3.32Å; Y202-A204 PolarHBondContact O-N 3.32Å; A204-A207 PolarHBondContact O-N 3.05Å; A204-R208 WeakPolarHBondContact O-CG 3.48Å; A204-R208 PolarHBondContact O-N 2.83Å; A204-V222 HydrophobicContact CB-CG1 3.92Å; A204-V222 HydrophobicContact CB-CG2 3.95Å; A204-L248 HydrophobicContact CB-CD1 4.13Å; A204-S250 VanDerWaalsContact CA-OG 3.3Å; A204-S250 WeakPolarHBondContact CA-OG 3.47Å; A204-S250 WeakPolarHBondContact CB-OG 3.37Å
205S98.6Very high98Very high48 Ų4850.7 Ų50.734%0.33628%0.276SS..Hα-helixtrans-65.2-40.6175.680.30000112.3A201 Y202 L203 R208 Q209A201-S205 WeakPolarHBondContact O-CB 3.35Å; A201-S205 PolarHBondContact O-N 3.29Å; Y202-S205 WeakPolarHBondContact O-CB 3.37Å; Y202-S205 PolarHBondContact O-N 2.88Å; Y202-S205 VanDerWaalsContact O-N 3.11Å; Y202-S205 PolarHBondContact O-OG 3.04Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 3.12Å; S205-R208 PolarHBondContact O-N 3.11Å; S205-Q209 WeakPolarHBondContact O-CB 3.42Å; S205-Q209 PolarHBondContact O-N 3.42Å
206Q98.7Very high97.8Very high32 Ų3258.4 Ų58.415%0.1531%0.307CS..Hα-helixtrans-66.2-40.9176.4-69-57.2133.900111.6L190 Y202 L203 Q209 L210 Y301L190-Q206 HydrophobicContact CD2-CG 3.98Å; Y202-Q206 HydrophobicContact CD1-CG 4.06Å; Y202-Q206 HydrophobicContact CE1-CG 3.7Å; Y202-Q206 WeakPolarHBondContact O-CG 3.5Å; Y202-Q206 PolarHBondContact O-N 2.89Å; L203-Q206 PolarHBondContact O-N 3.49Å; Q206-Q209 PolarHBondContact O-N 3.34Å; Q206-L210 PolarHBondContact O-N 2.84Å; Q206-Y301 HydrophobicContact CB-CE2 4Å; Q206-Y301 PolarHBondContact NE2-OH 3.26Å; Q206-Y301 WeakPolarHBondContact O-CE2 3.27Å
207A98.6Very high97.7Very high0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-59.8-45.817400000111.7L203 A204 L210 A211 T220 I252 L320L203-A207 PolarHBondContact O-N 3.17Å; A204-A207 PolarHBondContact O-N 3.05Å; A207-L210 WeakPolarHBondContact O-CB 3.47Å; A207-L210 PolarHBondContact O-N 3.03Å; A207-A211 PolarHBondContact O-N 2.61Å; A207-T220 HydrophobicContact CB-CG2 3.77Å; A207-T220 PolarHBondContact O-OG1 3.04Å; A207-T220 VanDerWaalsContact O-OG1 3.11Å; A207-I252 HydrophobicContact CB-CD1 3.81Å; A207-I252 HydrophobicContact CB-CG1 3.88Å; A207-L320 HydrophobicContact CB-CD1 4.34Å
208R98.6Very high97.7Very high126 Ų12651.5 Ų51.548%0.47527%0.271SS..Hα-helixtrans-61.5-44.8175.2-71.1178.1-173.9127.5-3.1112.3A204 S205 L210 A211 D212 T220 V222A204-R208 WeakPolarHBondContact O-CG 3.48Å; A204-R208 PolarHBondContact O-N 2.83Å; S205-R208 PolarHBondContact O-N 3.11Å; R208-L210 PolarHBondContact O-N 3.25Å; R208-A211 WeakPolarHBondContact O-CA 3.43Å; R208-A211 WeakPolarHBondContact O-CB 3.23Å; R208-A211 PolarHBondContact O-N 3Å; R208-D212 PolarHBondContact O-N 3.3Å; R208-T220 HydrophobicContact CG-CG2 4.18Å; R208-V222 HydrophobicContact CG-CG2 4.43Å
209Q98.2Very high97.6Very high103 Ų10355.3 Ų55.348%0.48129%0.29SS..Hα-helixtrans-59.7-35.4177.7-173-178.735.500112.3S205 Q206 D212 S213S205-Q209 WeakPolarHBondContact O-CB 3.42Å; S205-Q209 PolarHBondContact O-N 3.42Å; Q206-Q209 PolarHBondContact O-N 3.34Å; Q209-D212 PolarHBondContact O-N 3.47Å; Q209-S213 WeakPolarHBondContact O-CB 3.46Å; Q209-S213 PolarHBondContact O-N 2.87Å; Q209-S213 PolarHBondContact O-OG 3.48Å
210L98.2Very high97.6Very high5 Ų555.1 Ų55.13%0.02629%0.29CS..Hα-helixtrans-65.1-43.3174.1-177.667.7000111.3Q206 A207 R208 S213 Y214 I252 Y301 M304 R305Q206-L210 PolarHBondContact O-N 2.84Å; A207-L210 WeakPolarHBondContact O-CB 3.47Å; A207-L210 PolarHBondContact O-N 3.03Å; R208-L210 PolarHBondContact O-N 3.25Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-Y214 HydrophobicContact CD1-CD2 3.64Å; L210-Y214 HydrophobicContact CD1-CE2 3.75Å; L210-Y214 HydrophobicContact CG-CD2 4.44Å; L210-Y214 WeakPolarHBondContact O-CD2 3.45Å; L210-Y214 PolarHBondContact O-N 3.05Å; L210-Y214 VanDerWaalsContact O-N 3.15Å; L210-I252 HydrophobicContact CD2-CD1 4.33Å; L210-I252 HydrophobicContact CD2-CG2 4.23Å; L210-Y301 HydrophobicContact CB-CE2 4.02Å; L210-Y301 HydrophobicContact CD2-CD2 4.45Å; L210-Y301 HydrophobicContact CD2-CE2 4.19Å; L210-M304 HydrophobicContact CD2-CB 3.9Å; L210-R305 HydrophobicContact CD1-CB 4.05Å; L210-R305 HydrophobicContact CD1-CG 4.21Å
211A97.9Very high97.6Very high11 Ų1161.5 Ų61.59%0.09131%0.314CS..Hα-helixtrans-61.3-43.5173.800000112A207 R208 S213 Y214 S215 V218A207-A211 PolarHBondContact O-N 2.61Å; R208-A211 WeakPolarHBondContact O-CA 3.43Å; R208-A211 WeakPolarHBondContact O-CB 3.23Å; R208-A211 PolarHBondContact O-N 3Å; A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.31Å; A211-Y214 CarbonylContact O-C 3.48Å; A211-Y214 VanDerWaalsContact O-C 3.29Å; A211-Y214 PolarHBondContact O-N 2.99Å; A211-S215 WeakPolarHBondContact O-CA 3.28Å; A211-S215 WeakPolarHBondContact O-CB 3.39Å; A211-S215 PolarHBondContact O-N 3.03Å; A211-V218 HydrophobicContact CB-CG1 3.99Å
212D97.8Very high97.6Very high124 Ų12460.5 Ų60.566%0.66330%0.302SS*.Hα-helixtrans-60.7-39.5177.8-64.2-25.3000111.9R208 Q209 Y214R208-D212 PolarHBondContact O-N 3.3Å; Q209-D212 PolarHBondContact O-N 3.47Å; D212-Y214 VanDerWaalsContact C-N 3.33Å; D212-Y214 PolarHBondContact O-N 3.4Å
213S97.7Very high97.6Very high82 Ų8258.3 Ų58.357%0.57330%0.295SS*.Hα-helixtrans-71.6-25.4-179.8-56.20000113.4Q209 L210 A211Q209-S213 WeakPolarHBondContact O-CB 3.46Å; Q209-S213 PolarHBondContact O-N 2.87Å; Q209-S213 PolarHBondContact O-OG 3.48Å; L210-S213 PolarHBondContact O-N 3.14Å; A211-S213 VanDerWaalsContact C-N 3.28Å; A211-S213 PolarHBondContact O-N 3.31Å
214Y96.7Very high97.6Very high68 Ų6858.7 Ų58.727%0.26730%0.299SS..THydrogen-bonded Turntrans-131.338.6-175.2-63.1-80.1000112L210 A211 D212 K216 N217 V218 A308L210-Y214 HydrophobicContact CD1-CD2 3.64Å; L210-Y214 HydrophobicContact CD1-CE2 3.75Å; L210-Y214 HydrophobicContact CG-CD2 4.44Å; L210-Y214 WeakPolarHBondContact O-CD2 3.45Å; L210-Y214 PolarHBondContact O-N 3.05Å; L210-Y214 VanDerWaalsContact O-N 3.15Å; A211-Y214 CarbonylContact O-C 3.48Å; A211-Y214 VanDerWaalsContact O-C 3.29Å; A211-Y214 PolarHBondContact O-N 2.99Å; D212-Y214 VanDerWaalsContact C-N 3.33Å; D212-Y214 PolarHBondContact O-N 3.4Å; Y214-K216 PolarHBondContact O-N 2.96Å; Y214-N217 PolarHBondContact O-N 2.92Å; Y214-V218 PolarHBondContact O-N 2.93Å; Y214-A308 HydrophobicContact CD1-CB 4.03Å; Y214-A308 HydrophobicContact CD2-CB 3.79Å; Y214-A308 HydrophobicContact CE1-CB 4.38Å; Y214-A308 HydrophobicContact CE2-CB 4.16Å; Y214-A308 HydrophobicContact CG-CB 3.72Å
215S92.6Very high97.6Very high95 Ų9561.9 Ų61.966%0.66431%0.314SS*.THydrogen-bonded Turntrans-60.3-16.1-167.658.30000115.5A211A211-S215 WeakPolarHBondContact O-CA 3.28Å; A211-S215 WeakPolarHBondContact O-CB 3.39Å; A211-S215 PolarHBondContact O-N 3.03Å
216K93.5Very high97.6Very high193 Ų19365.2 Ų65.284%0.83932%0.324SS*.THydrogen-bonded Turntrans-65.3-40174.3-169.6-175173.4-177.50112.5Y214Y214-K216 PolarHBondContact O-N 2.96Å
217N95Very high97.6Very high45 Ų4568.2 Ų68.224%0.24134%0.338CS..THydrogen-bonded Turntrans-126-11.1-170.2-65.7-5000113.5Y214 Y254 K255Y214-N217 PolarHBondContact O-N 2.92Å; N217-Y254 HydrophobicContact CB-CD2 4.02Å; N217-Y254 HydrophobicContact CB-CE2 3.79Å; N217-Y254 WeakPolarHBondContact O-CA 3.34Å; N217-K255 PolarHBondContact O-N 2.82Å
218V98.2Very high97.6Very high5 Ų568.2 Ų68.23%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-113.8125.9-176.4-177.10000110.7A211 Y214 I252 E253 Y254 A308A211-V218 HydrophobicContact CB-CG1 3.99Å; Y214-V218 PolarHBondContact O-N 2.93Å; V218-I252 HydrophobicContact CG1-CG2 3.69Å; V218-E253 WeakPolarHBondContact CA-O 3.48Å; V218-Y254 HydrophobicContact CG2-CD2 3.89Å; V218-A308 HydrophobicContact CG2-CB 3.87Å
219I98Very high97.6Very high82 Ų8268.2 Ų68.242%0.42134%0.341SS..EExtended strand (participates in β ladder)trans-119.5138.6172.2-61172.6000108I252 E253I219-I252 CarbonylContact O-C 3.51Å; I219-E253 PolarHBondContact N-O 3.06Å; I219-E253 PolarHBondContact O-N 3.16Å
220T98.6Very high97.6Very high28 Ų2869.9 Ų69.917%0.17235%0.349CS..EExtended strand (participates in β ladder)trans-120.7130.8173.8-69.80000111.1A207 R208 V222 V251A207-T220 HydrophobicContact CB-CG2 3.77Å; A207-T220 PolarHBondContact O-OG1 3.04Å; A207-T220 VanDerWaalsContact O-OG1 3.11Å; R208-T220 HydrophobicContact CG-CG2 4.18Å; T220-V222 HydrophobicContact CG2-CG2 4.22Å; T220-V251 CarbonylContact C-O 3.38Å; T220-V251 WeakPolarHBondContact CA-O 3.37Å
221R98.4Very high97.6Very high136 Ų13672 Ų7251%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-113.5137.5170.3-61.6176.1-177.2171.64.4108.8S250 V251 E253R221-S250 CarbonylContact O-C 3.54Å; R221-S250 WeakPolarHBondContact O-CA 3.43Å; R221-V251 PolarHBondContact N-O 3.11Å; R221-V251 PolarHBondContact O-N 3.46Å; R221-E253 IonicContact CZ-OE1 2.58Å; R221-E253 IonicContact NE-OE1 2.62Å; R221-E253 PolarHBondContact NE-OE1 3.4Å; R221-E253 IonicContact NH1-OE1 3.11Å; R221-E253 IonicContact NH2-OE1 2.72Å
222V98.7Very high97.7Very high29 Ų2972.4 Ų72.418%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-116.7126.9175.7179.90000107.6A204 R208 T220 L248A204-V222 HydrophobicContact CB-CG1 3.92Å; A204-V222 HydrophobicContact CB-CG2 3.95Å; R208-V222 HydrophobicContact CG-CG2 4.43Å; T220-V222 HydrophobicContact CG2-CG2 4.22Å; V222-L248 HydrophobicContact CG1-CB 4.33Å; V222-L248 HydrophobicContact CG1-CD2 4.13Å
223I98.8Very high97.7Very high11 Ų1166.5 Ų66.56%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-109.7116.4-176.8-64.6165.4000106.9Q227 M228 L231 M249 V251 Y365I223-Q227 HydrophobicContact CG2-CB 3.72Å; I223-M228 HydrophobicContact CG2-CG 3.91Å; I223-M228 WeakPolarHBondContact O-CE 3.47Å; I223-L231 HydrophobicContact CG2-CD1 4.19Å; I223-M249 HydrophobicContact CB-CB 4.4Å; I223-M249 HydrophobicContact CB-CE 4.34Å; I223-M249 HydrophobicContact CD1-CE 3.36Å; I223-M249 HydrophobicContact CG1-CE 4.41Å; I223-M249 HydrophobicContact CG2-CE 4.5Å; I223-M249 PolarHBondContact N-O 3.41Å; I223-M249 PolarHBondContact O-N 2.69Å; I223-V251 HydrophobicContact CD1-CG2 4.09Å; I223-Y365 HydrophobicContact CD1-CE1 4.39Å; I223-Y365 HydrophobicContact CD1-CE2 3.93Å; I223-Y365 VanDerWaalsContact CD1-OH 3.31Å; I223-Y365 WeakPolarHBondContact CD1-OH 3.4Å
224G98.6Very high97.8Very high10 Ų1066.5 Ų66.510%0.10333%0.325CS..  trans-93178.8178.100000113.6Q226 Q227 M228G224-Q226 VanDerWaalsContact C-N 3.3Å; G224-Q226 PolarHBondContact O-N 2.83Å; G224-Q227 PolarHBondContact O-N 2.89Å; G224-Q227 VanDerWaalsContact O-N 3.08Å; G224-M228 WeakPolarHBondContact O-CG 3.46Å; G224-M228 PolarHBondContact O-N 3.09Å
225E98.6Very high97.9Very high66 Ų6663.3 Ų63.331%0.30831%0.312SS..Hα-helixtrans-60.4-37-170.5-70.6-175.717100113.5Q227 M228 K229 L237 E246 S247E225-Q227 PolarHBondContact O-N 3.07Å; E225-M228 PolarHBondContact O-N 3.19Å; E225-K229 WeakPolarHBondContact O-CB 3.48Å; E225-K229 PolarHBondContact O-N 3.18Å; E225-L237 HydrophobicContact CB-CD2 3.75Å; E225-L237 HydrophobicContact CG-CD2 3.74Å; E225-E246 HydrophobicContact CG-CG 3.78Å; E225-E246 PolarHBondContact N-OE1 3.18Å; E225-S247 WeakPolarHBondContact OE1-CB 3.4Å; E225-S247 PolarHBondContact OE1-N 2.77Å; E225-S247 PolarHBondContact OE1-OG 2.92Å
226Q98.5Very high98.2Very high118 Ų11858.8 Ų58.855%0.55128%0.28SS*.Hα-helixtrans-63.1-43.5177179.856.933.300111.7G224 K229 E230G224-Q226 VanDerWaalsContact C-N 3.3Å; G224-Q226 PolarHBondContact O-N 2.83Å; Q226-K229 WeakPolarHBondContact O-CB 3.33Å; Q226-K229 PolarHBondContact O-N 3.28Å; Q226-E230 PolarHBondContact NE2-OE1 2.89Å; Q226-E230 WeakPolarHBondContact O-CG 3.2Å; Q226-E230 PolarHBondContact O-N 2.86Å; Q226-E230 VanDerWaalsContact O-N 3.08Å
227Q98.7Very high98.4Very high95 Ų9550.9 Ų50.944%0.44425%0.247SC..Hα-helixtrans-71-37.8177.5-64.6172.5-72.600111.2I223 G224 E225 K229 E230 L231I223-Q227 HydrophobicContact CG2-CB 3.72Å; G224-Q227 PolarHBondContact O-N 2.89Å; G224-Q227 VanDerWaalsContact O-N 3.08Å; E225-Q227 PolarHBondContact O-N 3.07Å; Q227-K229 VanDerWaalsContact C-N 3.26Å; Q227-K229 PolarHBondContact O-N 2.87Å; Q227-E230 PolarHBondContact O-N 3.42Å; Q227-L231 WeakPolarHBondContact O-CB 3.43Å; Q227-L231 VanDerWaalsContact O-CG 3.24Å; Q227-L231 WeakPolarHBondContact O-CG 3.5Å; Q227-L231 PolarHBondContact O-N 3.37Å
228M98.8Very high98.6Very high0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-58.4-40.9171.9-71-174.1-169.500111.4I223 G224 E225 L231 G232 M233 Y236 L237 M249I223-M228 HydrophobicContact CG2-CG 3.91Å; I223-M228 WeakPolarHBondContact O-CE 3.47Å; G224-M228 WeakPolarHBondContact O-CG 3.46Å; G224-M228 PolarHBondContact O-N 3.09Å; E225-M228 PolarHBondContact O-N 3.19Å; M228-L231 CarbonylContact O-C 3.45Å; M228-L231 PolarHBondContact O-N 3.21Å; M228-G232 PolarHBondContact O-N 3.43Å; M228-M233 HydrophobicContact CB-CB 4.08Å; M228-M233 HydrophobicContact CB-SD 4.09Å; M228-M233 HydrophobicContact CG-SD 3.85Å; M228-M233 WeakPolarHBondContact O-CB 3.07Å; M228-M233 PolarHBondContact O-N 3.02Å; M228-Y236 HydrophobicContact CE-CD1 4.44Å; M228-Y236 HydrophobicContact CE-CE1 4.01Å; M228-Y236 HydrophobicContact CE-CE2 4.2Å; M228-Y236 HydrophobicContact SD-CD1 3.89Å; M228-Y236 HydrophobicContact SD-CD2 4.43Å; M228-Y236 HydrophobicContact SD-CE1 4.04Å; M228-Y236 HydrophobicContact SD-CG 4.13Å; M228-L237 HydrophobicContact CB-CD1 4.24Å; M228-L237 HydrophobicContact CB-CD2 4Å; M228-L237 HydrophobicContact CB-CG 4.13Å; M228-L237 HydrophobicContact SD-CD2 4.17Å; M228-M249 HydrophobicContact CE-CB 3.56Å
229K98.6Very high98.6Very high126 Ų12648.8 Ų48.855%0.54824%0.236SC..Hα-helixtrans-64.8-43.4177.4-174.3178.9179.4178.90111.9E225 Q226 Q227 L231 G232 L237E225-K229 WeakPolarHBondContact O-CB 3.48Å; E225-K229 PolarHBondContact O-N 3.18Å; Q226-K229 WeakPolarHBondContact O-CB 3.33Å; Q226-K229 PolarHBondContact O-N 3.28Å; Q227-K229 VanDerWaalsContact C-N 3.26Å; Q227-K229 PolarHBondContact O-N 2.87Å; K229-L231 VanDerWaalsContact C-N 3.25Å; K229-L231 PolarHBondContact O-N 2.89Å; K229-G232 PolarHBondContact O-N 2.93Å; K229-G232 VanDerWaalsContact O-N 3.1Å; K229-L237 HydrophobicContact CB-CD1 3.82Å; K229-L237 HydrophobicContact CG-CD1 4.46Å
230E98.6Very high98.7Very high139 Ų13944.9 Ų44.965%0.6522%0.216SC*.Hα-helixtrans-64.3-31.4175.2-71.7164.9-165.300112.5Q226 Q227 G232Q226-E230 PolarHBondContact NE2-OE1 2.89Å; Q226-E230 WeakPolarHBondContact O-CG 3.2Å; Q226-E230 PolarHBondContact O-N 2.86Å; Q226-E230 VanDerWaalsContact O-N 3.08Å; Q227-E230 PolarHBondContact O-N 3.42Å; E230-G232 VanDerWaalsContact C-N 3.27Å; E230-G232 PolarHBondContact O-N 2.96Å
231L98.5Very high98.6Very high50 Ų5047.2 Ų47.226%0.26223%0.225SC..THydrogen-bonded Turntrans-77.2-8.6173.9-71.9170.4000113.8I223 Q227 M228 K229 M233 M341 Y365I223-L231 HydrophobicContact CG2-CD1 4.19Å; Q227-L231 WeakPolarHBondContact O-CB 3.43Å; Q227-L231 VanDerWaalsContact O-CG 3.24Å; Q227-L231 WeakPolarHBondContact O-CG 3.5Å; Q227-L231 PolarHBondContact O-N 3.37Å; M228-L231 CarbonylContact O-C 3.45Å; M228-L231 PolarHBondContact O-N 3.21Å; K229-L231 VanDerWaalsContact C-N 3.25Å; K229-L231 PolarHBondContact O-N 2.89Å; L231-M233 HydrophobicContact CB-CG 3.98Å; L231-M233 HydrophobicContact CB-SD 4.36Å; L231-M233 HydrophobicContact CD1-CE 4.1Å; L231-M233 HydrophobicContact CD1-SD 4.2Å; L231-M341 WeakPolarHBondContact O-CG 3.25Å; L231-Y365 HydrophobicContact CD1-CD2 3.95Å; L231-Y365 HydrophobicContact CD1-CE2 3.77Å; L231-Y365 HydrophobicContact CD2-CE2 4.5Å
232G98.6Very high98.6Very high18 Ų1841.3 Ų41.319%0.18621%0.207CC..THydrogen-bonded Turntrans78.620.2-176.800000114.5M228 K229 E230 H234 M341M228-G232 PolarHBondContact O-N 3.43Å; K229-G232 PolarHBondContact O-N 2.93Å; K229-G232 VanDerWaalsContact O-N 3.1Å; E230-G232 VanDerWaalsContact C-N 3.27Å; E230-G232 PolarHBondContact O-N 2.96Å; G232-H234 PolarHBondContact O-N 3.3Å; G232-M341 VanDerWaalsContact O-CA 3.26Å; G232-M341 WeakPolarHBondContact O-CA 3.46Å; G232-M341 PolarHBondContact O-N 3.42Å
233M98.8Very high98.5Very high0 Ų040.6 Ų40.60%020%0.203CC..  trans-79.553.2-179.3-58.9179.6155.900112.5M228 L231 S235 Y236 L237 M249 M341 D361 Y365M228-M233 HydrophobicContact CB-CB 4.08Å; M228-M233 HydrophobicContact CB-SD 4.09Å; M228-M233 HydrophobicContact CG-SD 3.85Å; M228-M233 WeakPolarHBondContact O-CB 3.07Å; M228-M233 PolarHBondContact O-N 3.02Å; L231-M233 HydrophobicContact CB-CG 3.98Å; L231-M233 HydrophobicContact CB-SD 4.36Å; L231-M233 HydrophobicContact CD1-CE 4.1Å; L231-M233 HydrophobicContact CD1-SD 4.2Å; M233-S235 VanDerWaalsContact C-N 3.27Å; M233-S235 PolarHBondContact O-N 2.7Å; M233-Y236 PolarHBondContact O-N 2.95Å; M233-L237 WeakPolarHBondContact O-CG 3.43Å; M233-L237 PolarHBondContact O-N 3.15Å; M233-L237 VanDerWaalsContact O-N 3.1Å; M233-M249 HydrophobicContact CE-CE 3.93Å; M233-M249 HydrophobicContact CE-SD 4.39Å; M233-M249 HydrophobicContact SD-CE 4.5Å; M233-M341 HydrophobicContact CE-SD 3.62Å; M233-M341 HydrophobicContact CG-CB 4.37Å; M233-M341 HydrophobicContact CG-SD 3.99Å; M233-D361 WeakPolarHBondContact CA-OD2 3.31Å; M233-D361 HydrophobicContact CB-CB 4.03Å; M233-D361 WeakPolarHBondContact CB-OD2 3.19Å; M233-D361 HydrophobicContact CG-CB 4.04Å; M233-Y365 HydrophobicContact CE-CD2 3.41Å; M233-Y365 VanDerWaalsContact CE-CD2 3.41Å; M233-Y365 HydrophobicContact CE-CE2 4.39Å; M233-Y365 HydrophobicContact CE-CG 3.59Å
234H98.7Very high98.4Very high83 Ų8348.1 Ų48.138%0.38424%0.238SC..Hα-helixtrans-72.1-23-174.1-50.1-56.3000112.9G232 A238 T339G232-H234 PolarHBondContact O-N 3.3Å; H234-A238 VanDerWaalsContact O-CB 3.22Å; H234-A238 WeakPolarHBondContact O-CB 3.44Å; H234-A238 PolarHBondContact O-N 3.15Å; H234-T339 WeakPolarHBondContact CB-O 3.24Å
235S98.8Very high98.4Very high0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-70-43.5175.3-179.10000111M233 A238 V239 L357 C360 D361M233-S235 VanDerWaalsContact C-N 3.27Å; M233-S235 PolarHBondContact O-N 2.7Å; S235-A238 PolarHBondContact O-N 3.18Å; S235-V239 PolarHBondContact O-N 3.37Å; S235-L357 CarbonylContact C-O 3.59Å; S235-L357 WeakPolarHBondContact CB-O 3.48Å; S235-L357 WeakPolarHBondContact OG-CA 3.27Å; S235-L357 WeakPolarHBondContact OG-CB 3.46Å; S235-L357 PolarHBondContact OG-O 3.29Å; S235-C360 PolarHBondContact OG-SG 2.71Å; S235-D361 WeakPolarHBondContact CA-OD2 3.38Å; S235-D361 WeakPolarHBondContact CB-OD2 3.31Å; S235-D361 PolarHBondContact N-OD2 2.85Å; S235-D361 VanDerWaalsContact N-OD2 3.1Å
236Y98.8Very high98.4Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-59.2-53.5171.7-163.7-47.2000110.7M228 M233 A238 V239 G240 L248 M249 A321 G322 C323 V358 D361 V362M228-Y236 HydrophobicContact CE-CD1 4.44Å; M228-Y236 HydrophobicContact CE-CE1 4.01Å; M228-Y236 HydrophobicContact CE-CE2 4.2Å; M228-Y236 HydrophobicContact SD-CD1 3.89Å; M228-Y236 HydrophobicContact SD-CD2 4.43Å; M228-Y236 HydrophobicContact SD-CE1 4.04Å; M228-Y236 HydrophobicContact SD-CG 4.13Å; M233-Y236 PolarHBondContact O-N 2.95Å; Y236-A238 VanDerWaalsContact C-N 3.26Å; Y236-A238 PolarHBondContact O-N 2.85Å; Y236-V239 PolarHBondContact O-N 3.47Å; Y236-V239 VanDerWaalsContact O-N 3.1Å; Y236-G240 PolarHBondContact O-N 2.83Å; Y236-L248 PolarHBondContact OH-O 3.37Å; Y236-M249 HydrophobicContact CE2-CB 4.36Å; Y236-A321 HydrophobicContact CE2-CB 3.92Å; Y236-A321 VanDerWaalsContact OH-CA 3.27Å; Y236-A321 WeakPolarHBondContact OH-CA 3.44Å; Y236-G322 VanDerWaalsContact OH-C 3.29Å; Y236-G322 PolarHBondContact OH-N 2.93Å; Y236-G322 PolarHBondContact OH-O 2.89Å; Y236-C323 HydrophobicContact CE1-CB 3.92Å; Y236-V358 HydrophobicContact CD1-CG1 4.25Å; Y236-V358 HydrophobicContact CD2-CG1 3.62Å; Y236-V358 HydrophobicContact CE1-CG1 4.12Å; Y236-V358 HydrophobicContact CE2-CG1 3.5Å; Y236-V358 HydrophobicContact CG-CG1 4Å; Y236-D361 PolarHBondContact N-OD2 2.84Å; Y236-V362 HydrophobicContact CD2-CG2 3.85Å; Y236-V362 HydrophobicContact CE2-CG2 3.75Å
237L98.8Very high98.4Very high27 Ų2746.5 Ų46.514%0.14123%0.229CC..Hα-helixtrans-59.8-36.3-177.4-70.4170.7000112.4E225 M228 K229 M233 V239 G240 Q241E225-L237 HydrophobicContact CB-CD2 3.75Å; E225-L237 HydrophobicContact CG-CD2 3.74Å; M228-L237 HydrophobicContact CB-CD1 4.24Å; M228-L237 HydrophobicContact CB-CD2 4Å; M228-L237 HydrophobicContact CB-CG 4.13Å; M228-L237 HydrophobicContact SD-CD2 4.17Å; K229-L237 HydrophobicContact CB-CD1 3.82Å; K229-L237 HydrophobicContact CG-CD1 4.46Å; M233-L237 WeakPolarHBondContact O-CG 3.43Å; M233-L237 PolarHBondContact O-N 3.15Å; M233-L237 VanDerWaalsContact O-N 3.1Å; L237-V239 VanDerWaalsContact C-N 3.29Å; L237-V239 PolarHBondContact O-N 2.98Å; L237-G240 PolarHBondContact O-N 2.76Å; L237-Q241 WeakPolarHBondContact O-CB 3.46Å; L237-Q241 PolarHBondContact O-N 2.86Å
238A98.8Very high98.4Very high5 Ų542.7 Ų42.74%0.04121%0.212CC..Hα-helixtrans-63.7-31.9177.700000113.5H234 S235 Y236 Q241 Y332 L338H234-A238 VanDerWaalsContact O-CB 3.22Å; H234-A238 WeakPolarHBondContact O-CB 3.44Å; H234-A238 PolarHBondContact O-N 3.15Å; S235-A238 PolarHBondContact O-N 3.18Å; Y236-A238 VanDerWaalsContact C-N 3.26Å; Y236-A238 PolarHBondContact O-N 2.85Å; A238-Q241 VanDerWaalsContact O-CG 3.26Å; A238-Q241 WeakPolarHBondContact O-CG 3.47Å; A238-Y332 HydrophobicContact CB-CD2 4.42Å; A238-Y332 HydrophobicContact CB-CG 4.37Å; A238-Y332 WeakPolarHBondContact O-CB 3.2Å; A238-Y332 WeakPolarHBondContact O-CD1 3.31Å; A238-Y332 VanDerWaalsContact O-CG 3.24Å; A238-L338 HydrophobicContact CB-CD1 3.71Å; A238-L338 HydrophobicContact CB-CD2 3.51Å; A238-L338 HydrophobicContact CB-CG 4.24Å
239V98.8Very high98.4Very high1 Ų142.7 Ų42.71%0.00621%0.212CC..Hα-helixtrans-70.6-45.2175173.90000110.8S235 Y236 L237 L272 N325 Y332 E354 L357 V358S235-V239 PolarHBondContact O-N 3.37Å; Y236-V239 PolarHBondContact O-N 3.47Å; Y236-V239 VanDerWaalsContact O-N 3.1Å; L237-V239 VanDerWaalsContact C-N 3.29Å; L237-V239 PolarHBondContact O-N 2.98Å; V239-L272 HydrophobicContact CG1-CD1 4.02Å; V239-N325 HydrophobicContact CG1-CB 4.09Å; V239-Y332 HydrophobicContact CG2-CE2 4.36Å; V239-E354 HydrophobicContact CG1-CB 3.73Å; V239-E354 HydrophobicContact CG1-CG 4.03Å; V239-E354 HydrophobicContact CG2-CB 3.99Å; V239-L357 HydrophobicContact CG2-CB 3.87Å; V239-L357 HydrophobicContact CG2-CD1 4.35Å; V239-V358 HydrophobicContact CB-CG2 3.85Å; V239-V358 HydrophobicContact CG1-CG2 3.83Å; V239-V358 HydrophobicContact CG2-CG2 3.9Å
240G98.5Very high98.4Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-76.8-26.3-174.200000116Y236 L237 G242 S243 S247 E324Y236-G240 PolarHBondContact O-N 2.83Å; L237-G240 PolarHBondContact O-N 2.76Å; G240-G242 PolarHBondContact O-N 2.84Å; G240-S243 PolarHBondContact O-N 3.29Å; G240-S247 WeakPolarHBondContact CA-OG 3.39Å; G240-E324 WeakPolarHBondContact CA-O 3.42Å
241Q97.2Very high98.4Very high78 Ų7830.1 Ų30.136%0.36416%0.156SC..THydrogen-bonded Turntrans-62.2-14.7-169.660.9178.211.800116.1L237 A238 S243 R330 Y332L237-Q241 WeakPolarHBondContact O-CB 3.46Å; L237-Q241 PolarHBondContact O-N 2.86Å; A238-Q241 VanDerWaalsContact O-CG 3.26Å; A238-Q241 WeakPolarHBondContact O-CG 3.47Å; Q241-S243 VanDerWaalsContact C-N 3.33Å; Q241-R330 WeakPolarHBondContact CG-O 3.28Å; Q241-R330 PolarHBondContact NE2-O 3.36Å; Q241-Y332 VanDerWaalsContact NE2-N 3.17Å
242G97.6Very high98.5Very high12 Ų1227.8 Ų27.812%0.12414%0.143CC..THydrogen-bonded Turntrans-73.8-23.6172.900000113.5G240 M326G240-G242 PolarHBondContact O-N 2.84Å; G242-M326 WeakPolarHBondContact CA-O 3.48Å
243S97.9Very high98.5Very high14 Ų1428 Ų2810%0.09814%0.139CC..SBendtrans-85.2161.1179.8-1720000113.1G240 Q241 N245 E324G240-S243 PolarHBondContact O-N 3.29Å; Q241-S243 VanDerWaalsContact C-N 3.33Å; S243-N245 PolarHBondContact OG-N 3.41Å; S243-E324 WeakPolarHBondContact CB-OE2 3.27Å; S243-E324 PolarHBondContact OG-OE2 3.5Å
244Q97.1Very high98.4Very high169 Ų16928.3 Ų28.379%0.7914%0.141SC*.SBendtrans-88.1-17.8164.3-63.3-63.9-3500112.2
245N98.1Very high98.3Very high56 Ų5630.1 Ų30.130%0.29915%0.148SC..SBendtrans-79.4127.8173.7-67.9-56.7000109.1N199 S243 E324N199-N245 HydrophobicContact CB-CB 4.38Å; N199-N245 PolarHBondContact ND2-OD1 3.11Å; S243-N245 PolarHBondContact OG-N 3.41Å; N245-E324 PolarHBondContact ND2-OE1 3.15Å; N245-E324 VanDerWaalsContact ND2-OE1 3.11Å; N245-E324 PolarHBondContact ND2-OE2 3.23Å
246E98.2Very high98.2Very high103 Ų10331.1 Ų31.148%0.48116%0.157SC..PPolyproline II helixtrans-61.6138.5178.9-173.2-175.9-171.800111.6A200 E225 L248A200-E246 WeakPolarHBondContact CB-O 3.18Å; E225-E246 HydrophobicContact CG-CG 3.78Å; E225-E246 PolarHBondContact N-OE1 3.18Å; E246-L248 HydrophobicContact CG-CD2 4.11Å; E246-L248 HydrophobicContact CG-CG 4.43Å
247S98.8Very high98Very high0 Ų034 Ų340%017%0.173CC..PPolyproline II helixtrans-72.7126.7169.9-54.20000111.1E225 G240E225-S247 WeakPolarHBondContact OE1-CB 3.4Å; E225-S247 PolarHBondContact OE1-N 2.77Å; E225-S247 PolarHBondContact OE1-OG 2.92Å; G240-S247 WeakPolarHBondContact CA-OG 3.39Å
248L98.9Very high97.6Very high16 Ų1638 Ų388%0.08421%0.209CC..EExtended strand (participates in β ladder)trans-134.4131.6-177.8-62.8173.9000111.1A200 A201 A204 V222 Y236 E246 G322A200-L248 HydrophobicContact CB-CB 4.02Å; A200-L248 HydrophobicContact CB-CG 4.39Å; A201-L248 HydrophobicContact CB-CD1 3.98Å; A204-L248 HydrophobicContact CB-CD1 4.13Å; V222-L248 HydrophobicContact CG1-CB 4.33Å; V222-L248 HydrophobicContact CG1-CD2 4.13Å; Y236-L248 PolarHBondContact OH-O 3.37Å; E246-L248 HydrophobicContact CG-CD2 4.11Å; E246-L248 HydrophobicContact CG-CG 4.43Å; L248-G322 PolarHBondContact N-O 3.41Å; L248-G322 CarbonylContact O-C 3.42Å; L248-G322 VanDerWaalsContact O-CA 3.23Å; L248-G322 WeakPolarHBondContact O-CA 3.41Å; L248-G322 PolarHBondContact O-N 3.26Å
249M98.8Very high97.3Very high0 Ų040.4 Ų40.40%023%0.226CC..EExtended strand (participates in β ladder)trans-107.2123.3170.9-176.9177.673.900109.5I223 M228 M233 Y236 V251 V319 L320 V362 Y365I223-M249 HydrophobicContact CB-CB 4.4Å; I223-M249 HydrophobicContact CB-CE 4.34Å; I223-M249 HydrophobicContact CD1-CE 3.36Å; I223-M249 HydrophobicContact CG1-CE 4.41Å; I223-M249 HydrophobicContact CG2-CE 4.5Å; I223-M249 PolarHBondContact N-O 3.41Å; I223-M249 PolarHBondContact O-N 2.69Å; M228-M249 HydrophobicContact CE-CB 3.56Å; M233-M249 HydrophobicContact CE-CE 3.93Å; M233-M249 HydrophobicContact CE-SD 4.39Å; M233-M249 HydrophobicContact SD-CE 4.5Å; Y236-M249 HydrophobicContact CE2-CB 4.36Å; M249-V251 HydrophobicContact CE-CG2 4.23Å; M249-V319 HydrophobicContact CG-CG1 3.61Å; M249-V319 HydrophobicContact SD-CG1 3.69Å; M249-L320 WeakPolarHBondContact CA-O 3.43Å; M249-V362 HydrophobicContact SD-CB 4.43Å; M249-V362 HydrophobicContact SD-CG1 3.99Å; M249-V362 HydrophobicContact SD-CG2 3.82Å; M249-Y365 HydrophobicContact CE-CD1 3.73Å; M249-Y365 HydrophobicContact CE-CD2 4.06Å; M249-Y365 HydrophobicContact CE-CE1 3.71Å; M249-Y365 HydrophobicContact CE-CE2 4.01Å; M249-Y365 HydrophobicContact CE-CG 3.93Å; M249-Y365 HydrophobicContact SD-CD1 4.49Å
250S98.9Very high96.5Very high1 Ų149.3 Ų49.31%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-104.2128.6177.5-55.60000110.3A204 R221 V319 L320A204-S250 VanDerWaalsContact CA-OG 3.3Å; A204-S250 WeakPolarHBondContact CA-OG 3.47Å; A204-S250 WeakPolarHBondContact CB-OG 3.37Å; R221-S250 CarbonylContact O-C 3.54Å; R221-S250 WeakPolarHBondContact O-CA 3.43Å; S250-V319 CarbonylContact O-C 3.53Å; S250-V319 VanDerWaalsContact O-CA 3.31Å; S250-V319 WeakPolarHBondContact O-CA 3.48Å; S250-L320 PolarHBondContact N-O 2.8Å; S250-L320 PolarHBondContact O-N 2.63Å
251V98.9Very high96.1Very high0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-113.3111.9177.3-176.70000108.1T220 R221 I223 M249 E253 I317 V319 Y365 F369T220-V251 CarbonylContact C-O 3.38Å; T220-V251 WeakPolarHBondContact CA-O 3.37Å; R221-V251 PolarHBondContact N-O 3.11Å; R221-V251 PolarHBondContact O-N 3.46Å; I223-V251 HydrophobicContact CD1-CG2 4.09Å; M249-V251 HydrophobicContact CE-CG2 4.23Å; V251-E253 HydrophobicContact CG1-CG 4.15Å; V251-I317 HydrophobicContact CG1-CG2 3.8Å; V251-V319 HydrophobicContact CG1-CG2 4.41Å; V251-V319 HydrophobicContact CG2-CG1 4.34Å; V251-V319 HydrophobicContact CG2-CG2 4.38Å; V251-Y365 HydrophobicContact CG2-CE1 4Å; V251-F369 HydrophobicContact CG1-CE2 4.41Å; V251-F369 HydrophobicContact CG1-CZ 3.95Å
252I98.8Very high96Very high0 Ų053.8 Ų53.80%030%0.297CS..EExtended strand (participates in β ladder)trans-101.1110.1178.3-52.7171.2000107.3A207 L210 V218 I219 Y301 M304 I317 G318 L320A207-I252 HydrophobicContact CB-CD1 3.81Å; A207-I252 HydrophobicContact CB-CG1 3.88Å; L210-I252 HydrophobicContact CD2-CD1 4.33Å; L210-I252 HydrophobicContact CD2-CG2 4.23Å; V218-I252 HydrophobicContact CG1-CG2 3.69Å; I219-I252 CarbonylContact O-C 3.51Å; I252-Y301 HydrophobicContact CD1-CD2 4.27Å; I252-M304 HydrophobicContact CB-CE 4.32Å; I252-M304 HydrophobicContact CB-CG 4.49Å; I252-M304 HydrophobicContact CD1-CB 4.46Å; I252-M304 HydrophobicContact CD1-CG 4.41Å; I252-M304 HydrophobicContact CG2-CB 4.43Å; I252-M304 HydrophobicContact CG2-CE 3.86Å; I252-M304 HydrophobicContact CG2-CG 4.44Å; I252-I317 CarbonylContact O-C 3.49Å; I252-I317 VanDerWaalsContact O-CA 3.29Å; I252-I317 WeakPolarHBondContact O-CA 3.49Å; I252-G318 PolarHBondContact N-O 2.93Å; I252-G318 PolarHBondContact O-N 2.95Å; I252-L320 HydrophobicContact CD1-CD1 4.26Å; I252-L320 HydrophobicContact CD1-CG 4.47Å
253E98.4Very high96Very high23 Ų2360.1 Ų60.111%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-99.4118.7177.3-62.8177.8-133.700109.3V218 I219 R221 V251 I317V218-E253 WeakPolarHBondContact CA-O 3.48Å; I219-E253 PolarHBondContact N-O 3.06Å; I219-E253 PolarHBondContact O-N 3.16Å; R221-E253 IonicContact CZ-OE1 2.58Å; R221-E253 IonicContact NE-OE1 2.62Å; R221-E253 PolarHBondContact NE-OE1 3.4Å; R221-E253 IonicContact NH1-OE1 3.11Å; R221-E253 IonicContact NH2-OE1 2.72Å; V251-E253 HydrophobicContact CG1-CG 4.15Å; E253-I317 HydrophobicContact CG-CD1 4.41Å; E253-I317 HydrophobicContact CG-CG1 4.25Å; E253-I317 HydrophobicContact CG-CG2 4.45Å
254Y98.4Very high96Very high6 Ų660.1 Ų60.12%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-107.1122.1170.9170.3-99.4000110.2N217 V218 G256 V307 A308 Q311 L312 I314 N315 V316N217-Y254 HydrophobicContact CB-CD2 4.02Å; N217-Y254 HydrophobicContact CB-CE2 3.79Å; N217-Y254 WeakPolarHBondContact O-CA 3.34Å; V218-Y254 HydrophobicContact CG2-CD2 3.89Å; Y254-G256 VanDerWaalsContact CE1-CA 3.46Å; Y254-G256 WeakPolarHBondContact OH-CA 3.33Å; Y254-V307 HydrophobicContact CD1-CG1 3.23Å; Y254-V307 HydrophobicContact CD2-CG1 4.27Å; Y254-V307 HydrophobicContact CE1-CG1 3.37Å; Y254-V307 HydrophobicContact CE2-CG1 4.39Å; Y254-V307 HydrophobicContact CG-CG1 3.72Å; Y254-A308 HydrophobicContact CD2-CB 4.49Å; Y254-Q311 VanDerWaalsContact OH-CA 3.24Å; Y254-Q311 WeakPolarHBondContact OH-CA 3.29Å; Y254-L312 WeakPolarHBondContact CE1-O 3.3Å; Y254-L312 PolarHBondContact OH-N 2.84Å; Y254-L312 VanDerWaalsContact OH-N 3.12Å; Y254-L312 PolarHBondContact OH-O 2.86Å; Y254-I314 WeakPolarHBondContact CD1-O 3.23Å; Y254-I314 WeakPolarHBondContact CE1-O 3.39Å; Y254-N315 WeakPolarHBondContact O-CA 3.35Å; Y254-V316 WeakPolarHBondContact CA-O 3.48Å; Y254-V316 WeakPolarHBondContact CB-O 3.46Å; Y254-V316 HydrophobicContact CD1-CB 4.42Å; Y254-V316 HydrophobicContact CD1-CG2 4.4Å; Y254-V316 PolarHBondContact N-O 2.73Å; Y254-V316 PolarHBondContact O-N 3.36Å
255K96.8Very high96.1Very high122 Ų12252.3 Ų52.353%0.5328%0.281SS..  trans-105.395.6177-64.4-172.7176.1-169.10109.8N217 N315N217-K255 PolarHBondContact O-N 2.82Å; K255-N315 WeakPolarHBondContact CA-OD1 3.3Å
256G96.2Very high96.1Very high20 Ų2049.6 Ų49.621%0.20627%0.266CS..  trans-109.7-19179.600000114.3Y254 L312 P313 I314 N315Y254-G256 VanDerWaalsContact CE1-CA 3.46Å; Y254-G256 WeakPolarHBondContact OH-CA 3.33Å; G256-L312 WeakPolarHBondContact CA-O 3.16Å; G256-P313 WeakPolarHBondContact O-CA 3.3Å; G256-I314 WeakPolarHBondContact CA-O 3.42Å; G256-I314 PolarHBondContact N-O 3.36Å; G256-N315 PolarHBondContact N-OD1 2.72Å; G256-N315 VanDerWaalsContact N-OD1 3.1Å
257N94.7Very high96.2Very high62 Ų6244.7 Ų44.733%0.33224%0.243SC..SBendtrans-79.7142178.1-160.4-66.1000110.5S259 A262 P313 N315N257-S259 VanDerWaalsContact C-N 3.26Å; N257-S259 PolarHBondContact O-N 2.92Å; N257-S259 WeakPolarHBondContact OD1-CB 3.3Å; N257-S259 PolarHBondContact OD1-N 3.33Å; N257-A262 HydrophobicContact CB-CB 3.65Å; N257-P313 PolarHBondContact ND2-O 3.46Å; N257-N315 WeakPolarHBondContact CB-OD1 3.35Å; N257-N315 PolarHBondContact N-OD1 2.62Å
258A90.2Very high96.2Very high109 Ų10944.7 Ų44.790%0.90124%0.243SC*.SBendtrans-68.2-27.2176.400000112.8
259S91.9Very high96.2Very high57 Ų5744 Ų4440%0.39924%0.239SC..  trans-84.7125.4173.8-177.10000110.4N257 D261 A262N257-S259 VanDerWaalsContact C-N 3.26Å; N257-S259 PolarHBondContact O-N 2.92Å; N257-S259 WeakPolarHBondContact OD1-CB 3.3Å; N257-S259 PolarHBondContact OD1-N 3.33Å; S259-D261 PolarHBondContact O-N 3.38Å; S259-D261 PolarHBondContact OG-N 3.49Å; S259-A262 WeakPolarHBondContact O-CB 3.42Å; S259-A262 PolarHBondContact O-N 2.95Å
260E82.2Confident96.2Very high188 Ų18844 Ų4488%0.87924%0.24SC*.THydrogen-bonded Turntrans-65.7-26.9174.2-62.9-166.2156.100112.3A262E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 3.39Å
261D89.3Confident96.2Very high148 Ų14844 Ų4479%0.79124%0.24SC*.THydrogen-bonded Turntrans-86.10.6-179.8-59.3-42.2000113.3S259 R263S259-D261 PolarHBondContact O-N 3.38Å; S259-D261 PolarHBondContact OG-N 3.49Å; D261-R263 PolarHBondContact O-N 3.1Å; D261-R263 VanDerWaalsContact O-N 3.09Å
262A95.3Very high96.2Very high23 Ų2344 Ų4419%0.1924%0.24CC..  trans-67.2113.1178.500000110.5N257 S259 E260 N315N257-A262 HydrophobicContact CB-CB 3.65Å; S259-A262 WeakPolarHBondContact O-CB 3.42Å; S259-A262 PolarHBondContact O-N 2.95Å; E260-A262 VanDerWaalsContact C-N 3.31Å; E260-A262 PolarHBondContact O-N 3.39Å; A262-N315 PolarHBondContact O-ND2 3.13Å
263R97.9Very high96.2Very high146 Ų14644 Ų4455%0.55124%0.24SC*.PPolyproline II helixtrans-56133.9177.9-64.6-173.4-55.3-179.94111D261 E370 E372D261-R263 PolarHBondContact O-N 3.1Å; D261-R263 VanDerWaalsContact O-N 3.09Å; R263-E370 WeakPolarHBondContact CB-O 3.41Å; R263-E370 WeakPolarHBondContact CD-O 3.13Å; R263-E370 WeakPolarHBondContact CG-O 3.49Å; R263-E372 HydrophobicContact CB-CB 4.1Å
264P98.4Very high96.2Very high14 Ų1444.7 Ų44.79%0.09124%0.242CC..PPolyproline II helixtrans-79.2155.4-177.731.8-34.7000112.2V266 N315 I317 F369 P371 E372P264-V266 HydrophobicContact CG-CG2 4.36Å; P264-N315 WeakPolarHBondContact CA-O 3.1Å; P264-N315 HydrophobicContact CB-CB 4.07Å; P264-I317 HydrophobicContact CB-CD1 3.94Å; P264-I317 HydrophobicContact CB-CG1 3.92Å; P264-I317 HydrophobicContact CG-CD1 3.72Å; P264-I317 HydrophobicContact CG-CG1 4.28Å; P264-F369 WeakPolarHBondContact CD-O 3.49Å; P264-F369 HydrophobicContact CG-CB 4.17Å; P264-P371 WeakPolarHBondContact O-CA 3.32Å; P264-E372 PolarHBondContact O-N 3.42Å
265I98.8Very high96.2Very high4 Ų444.4 Ų44.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-85.7126.4156.6-63.9170.7000107.4L267 N315 V316 I317 F492 L493 R496I265-L267 HydrophobicContact CG2-CD2 4.25Å; I265-N315 PolarHBondContact N-O 3.32Å; I265-V316 CarbonylContact O-C 3.53Å; I265-V316 VanDerWaalsContact O-CA 3.3Å; I265-V316 WeakPolarHBondContact O-CA 3.48Å; I265-I317 PolarHBondContact O-N 2.95Å; I265-F492 HydrophobicContact CD1-CE1 4.09Å; I265-F492 HydrophobicContact CD1-CZ 4.47Å; I265-F492 HydrophobicContact CG2-CE1 4.12Å; I265-L493 HydrophobicContact CB-CD2 4.34Å; I265-L493 HydrophobicContact CD1-CD2 3.78Å; I265-L493 HydrophobicContact CG2-CD2 4.03Å; I265-R496 HydrophobicContact CD1-CB 4.09Å; I265-R496 HydrophobicContact CD1-CG 3.94Å
266V98.9Very high96.2Very high0 Ų038.8 Ų38.80%022%0.217CC..EExtended strand (participates in β ladder)trans-104.2128.6179.2-177.20000110P264 V268 I317 V319 V366 F369 P371 A373 V374 I375P264-V266 HydrophobicContact CG-CG2 4.36Å; V266-V268 HydrophobicContact CG1-CG2 4.05Å; V266-I317 CarbonylContact C-O 3.6Å; V266-I317 WeakPolarHBondContact CA-O 3.4Å; V266-I317 HydrophobicContact CG1-CB 4.43Å; V266-I317 HydrophobicContact CG1-CG2 4.48Å; V266-I317 HydrophobicContact CG2-CB 4.13Å; V266-I317 HydrophobicContact CG2-CD1 4.46Å; V266-V319 HydrophobicContact CG1-CG2 4.34Å; V266-V366 HydrophobicContact CG1-CB 3.98Å; V266-V366 HydrophobicContact CG1-CG1 3.79Å; V266-V366 HydrophobicContact CG1-CG2 4.44Å; V266-F369 HydrophobicContact CG2-CB 4.49Å; V266-P371 HydrophobicContact CB-CB 4.4Å; V266-P371 HydrophobicContact CG2-CB 3.67Å; V266-A373 PolarHBondContact N-O 2.85Å; V266-V374 HydrophobicContact CB-CG1 4.49Å; V266-V374 HydrophobicContact CB-CG2 4.2Å; V266-V374 CarbonylContact O-C 3.54Å; V266-V374 VanDerWaalsContact O-CA 3.3Å; V266-V374 WeakPolarHBondContact O-CA 3.24Å; V266-I375 PolarHBondContact O-N 3.3Å
267L99Very high96.3Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-109.5125.4173-56.1-178000109I265 V300 V303 V316 I317 G318 V319 I375 L489 L493I265-L267 HydrophobicContact CG2-CD2 4.25Å; L267-V300 HydrophobicContact CB-CG1 3.93Å; L267-V300 HydrophobicContact CB-CG2 4.01Å; L267-V303 HydrophobicContact CD1-CB 4.07Å; L267-V303 HydrophobicContact CD1-CG1 3.52Å; L267-V316 HydrophobicContact CD1-CG1 4.28Å; L267-V316 HydrophobicContact CG-CG1 4.34Å; L267-I317 PolarHBondContact N-O 3.23Å; L267-G318 CarbonylContact O-C 3.58Å; L267-G318 WeakPolarHBondContact O-CA 3.48Å; L267-V319 PolarHBondContact O-N 2.9Å; L267-I375 CarbonylContact C-O 3.51Å; L267-I375 VanDerWaalsContact CA-O 3.3Å; L267-I375 WeakPolarHBondContact CA-O 3.3Å; L267-I375 HydrophobicContact CD2-CB 3.9Å; L267-I375 HydrophobicContact CD2-CD1 3.98Å; L267-I375 HydrophobicContact CD2-CG1 4.45Å; L267-L489 HydrophobicContact CD2-CD2 4.34Å; L267-L493 HydrophobicContact CD1-CD1 4.26Å
268V99Very high96.5Very high0 Ų034.9 Ų34.90%019%0.192CC..EExtended strand (participates in β ladder)trans-114.8130179.5178.80000109.4V266 V319 L359 V362 V366 V374 I375 D376 V377V266-V268 HydrophobicContact CG1-CG2 4.05Å; V268-V319 HydrophobicContact CG2-CB 4.31Å; V268-L359 HydrophobicContact CG1-CD2 3.74Å; V268-V362 HydrophobicContact CG1-CB 4.19Å; V268-V362 HydrophobicContact CG1-CG1 3.48Å; V268-V362 VanDerWaalsContact CG1-CG1 3.48Å; V268-V362 HydrophobicContact CG2-CG1 4.23Å; V268-V366 HydrophobicContact CG2-CG1 4.05Å; V268-V366 HydrophobicContact CG2-CG2 4.47Å; V268-V374 HydrophobicContact CG2-CG1 4.21Å; V268-I375 PolarHBondContact N-O 3.09Å; V268-D376 HydrophobicContact CB-CB 3.81Å; V268-D376 HydrophobicContact CG1-CB 4.28Å; V268-D376 CarbonylContact O-C 3.11Å; V268-D376 WeakPolarHBondContact O-CA 3.26Å; V268-V377 PolarHBondContact O-N 2.7Å
269G98.9Very high96.9Very high0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-120.4123.8-17900000112.1G271 G296 V319 A321 V377G269-G271 PolarHBondContact O-N 2.89Å; G269-G296 VanDerWaalsContact CA-C 3.48Å; G269-V319 PolarHBondContact N-O 3.49Å; G269-A321 PolarHBondContact O-N 3.37Å; G269-V377 WeakPolarHBondContact CA-O 3.27Å
270K98.9Very high97.2Very high2 Ų232.3 Ų32.31%0.00916%0.16CC..EExtended strand (participates in β ladder)trans-60.9122.5167.3-178.9-171.3172-171.20109.2L272 D293 M294 G296 A297 E354 G355 L359 V377 A378 T379K270-L272 HydrophobicContact CD-CD2 4.19Å; K270-L272 VanDerWaalsContact CE-CD2 3.46Å; K270-L272 HydrophobicContact CG-CD2 3.64Å; K270-D293 WeakPolarHBondContact CE-OD2 3.48Å; K270-D293 IonicContact NZ-OD1 3.56Å; K270-D293 PolarHBondContact NZ-OD1 3.4Å; K270-D293 IonicContact NZ-OD2 2.62Å; K270-D293 PolarHBondContact NZ-OD2 3.28Å; K270-M294 CarbonylContact O-C 3.54Å; K270-G296 CarbonylContact O-C 3.25Å; K270-G296 WeakPolarHBondContact O-CA 3.37Å; K270-G296 PolarHBondContact O-N 3.39Å; K270-A297 PolarHBondContact O-N 2.99Å; K270-E354 WeakPolarHBondContact CE-OE1 3.4Å; K270-E354 IonicContact NZ-OE1 2.72Å; K270-E354 PolarHBondContact NZ-OE1 3Å; K270-G355 VanDerWaalsContact CE-CA 3.43Å; K270-L359 HydrophobicContact CB-CD1 4.33Å; K270-L359 HydrophobicContact CB-CD2 4.35Å; K270-L359 HydrophobicContact CB-CG 4.5Å; K270-V377 PolarHBondContact N-O 3.12Å; K270-A378 HydrophobicContact CB-CB 3.46Å; K270-A378 VanDerWaalsContact CB-CB 3.46Å; K270-A378 HydrophobicContact CD-CB 3.88Å; K270-A378 HydrophobicContact CG-CB 4.23Å; K270-T379 PolarHBondContact NZ-O 3.08Å
271G98.7Very high97.9Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-121.744-174.700000113.2G269 T273 A321 G322 C323G269-G271 PolarHBondContact O-N 2.89Å; G271-T273 PolarHBondContact O-N 2.93Å; G271-A321 CarbonylContact C-O 3.48Å; G271-A321 VanDerWaalsContact C-O 3.25Å; G271-A321 WeakPolarHBondContact CA-O 3.46Å; G271-A321 PolarHBondContact N-O 3.08Å; G271-G322 WeakPolarHBondContact O-CA 3.45Å; G271-C323 PolarHBondContact O-N 3.37Å
272L98.8Very high98.3Very high0 Ų023.4 Ų23.40%012%0.116CC..EExtended strand (participates in β ladder)trans-70.395174.5-85.1-66.9000109V239 K270 F274 D293 M294 C323 N325 E354 V358V239-L272 HydrophobicContact CG1-CD1 4.02Å; K270-L272 HydrophobicContact CD-CD2 4.19Å; K270-L272 VanDerWaalsContact CE-CD2 3.46Å; K270-L272 HydrophobicContact CG-CD2 3.64Å; L272-F274 PolarHBondContact O-N 2.95Å; L272-D293 HydrophobicContact CB-CB 4.14Å; L272-D293 WeakPolarHBondContact CB-OD2 3.31Å; L272-D293 CarbonylContact O-C 3.32Å; L272-M294 WeakPolarHBondContact O-CB 3.47Å; L272-M294 PolarHBondContact O-N 2.88Å; L272-C323 CarbonylContact C-O 3.6Å; L272-C323 WeakPolarHBondContact CA-O 3.41Å; L272-N325 HydrophobicContact CD1-CB 3.96Å; L272-E354 HydrophobicContact CD1-CG 3.98Å; L272-E354 HydrophobicContact CG-CG 4.04Å; L272-V358 HydrophobicContact CD2-CG2 4.1Å
273T98.7Very high98.4Very high1 Ų127.2 Ų27.21%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-66.3-23.4-173.246.90000113.4C198 L203 G271 M294 C323 E324C198-T273 WeakPolarHBondContact O-CB 3.1Å; C198-T273 WeakPolarHBondContact O-CG2 3.25Å; L203-T273 HydrophobicContact CD1-CG2 3.64Å; L203-T273 HydrophobicContact CG-CG2 4.28Å; G271-T273 PolarHBondContact O-N 2.93Å; T273-M294 HydrophobicContact CG2-CB 4.18Å; T273-M294 HydrophobicContact CG2-CG 4.41Å; T273-C323 PolarHBondContact N-O 3.48Å; T273-C323 PolarHBondContact OG1-O 3.33Å; T273-E324 WeakPolarHBondContact OG1-CG 3.34Å
274F98.7Very high98.4Very high36 Ų3625.4 Ų25.416%0.15815%0.148CC..EExtended strand (participates in β ladder)trans-153.1136.6161.4-164.4-101.6000109.6P195 L272 M287 M290 E324 N325 M326P195-F274 HydrophobicContact CB-CB 3.89Å; P195-F274 HydrophobicContact CB-CD2 3.89Å; P195-F274 HydrophobicContact CB-CG 4.21Å; P195-F274 HydrophobicContact CG-CD2 3.62Å; P195-F274 HydrophobicContact CG-CE2 4.16Å; P195-F274 HydrophobicContact CG-CG 4.31Å; L272-F274 PolarHBondContact O-N 2.95Å; F274-M287 HydrophobicContact CZ-CG 4.08Å; F274-M290 HydrophobicContact CE2-CB 4.33Å; F274-E324 HydrophobicContact CB-CG 4.25Å; F274-E324 WeakPolarHBondContact O-CA 3.24Å; F274-N325 PolarHBondContact O-N 3.29Å; F274-M326 HydrophobicContact CD1-SD 3.67Å; F274-M326 HydrophobicContact CE1-SD 4.27Å
275D98.5Very high98.3Very high1 Ų133.6 Ų33.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-123.4100.6177.8176.226.6000111G277 K282 M290 D293 N325D275-G277 VanDerWaalsContact C-N 3.29Å; D275-G277 WeakPolarHBondContact OD1-CA 3.41Å; D275-G277 PolarHBondContact OD1-N 3.3Å; D275-K282 WeakPolarHBondContact O-CE 3.35Å; D275-K282 WeakPolarHBondContact OD2-CE 3.37Å; D275-K282 IonicContact OD2-NZ 2.71Å; D275-K282 PolarHBondContact OD2-NZ 3.06Å; D275-M290 HydrophobicContact CB-CB 4.43Å; D275-M290 WeakPolarHBondContact O-CB 3.24Å; D275-M290 WeakPolarHBondContact O-CG 3.28Å; D275-D293 HydrophobicContact CB-CB 4.07Å; D275-D293 WeakPolarHBondContact CB-OD2 3.21Å; D275-N325 WeakPolarHBondContact OD1-CB 3.36Å; D275-N325 PolarHBondContact OD1-ND2 3.49Å
276S98.4Very high98.2Very high4 Ų434.8 Ų34.83%0.02820%0.199CC..  trans-85.7-3.9173.877.20000113G278 I281 K282 N325 P327S276-G278 PolarHBondContact OG-N 3.02Å; S276-I281 WeakPolarHBondContact O-CA 3.38Å; S276-K282 PolarHBondContact O-N 3.36Å; S276-N325 PolarHBondContact N-O 3.38Å; S276-N325 PolarHBondContact OG-O 3Å; S276-N325 VanDerWaalsContact OG-O 3.04Å; S276-P327 WeakPolarHBondContact OG-CD 3.43Å
277G98.2Very high98.1Very high0 Ų036.6 Ų36.60%021%0.207CC..  trans82.23.5-168.200000115.6D275 I279 S280 N325 T351 D352D275-G277 VanDerWaalsContact C-N 3.29Å; D275-G277 WeakPolarHBondContact OD1-CA 3.41Å; D275-G277 PolarHBondContact OD1-N 3.3Å; G277-I279 PolarHBondContact O-N 3.33Å; G277-S280 CarbonylContact O-C 3.57Å; G277-S280 PolarHBondContact O-N 3.42Å; G277-N325 VanDerWaalsContact C-ND2 3.29Å; G277-N325 WeakPolarHBondContact CA-ND2 3.31Å; G277-T351 CarbonylContact O-C 3.53Å; G277-T351 VanDerWaalsContact O-C 3.32Å; G277-T351 PolarHBondContact O-OG1 3.39Å; G277-D352 WeakPolarHBondContact CA-OD1 3.21Å; G277-D352 PolarHBondContact O-N 3Å
278G98.3Very high98Very high0 Ų040.8 Ų40.80%023%0.23CC..THydrogen-bonded Turntrans63.4-131.9-178.500000113S276 N325S276-G278 PolarHBondContact OG-N 3.02Å; G278-N325 WeakPolarHBondContact CA-OD1 3.33Å; G278-N325 PolarHBondContact N-ND2 3.42Å
279I98.3Very high98Very high77 Ų7741.9 Ų41.940%0.39524%0.235SC..THydrogen-bonded Turntrans-68.7-37.4177.5-63.5-61.4000111.7G277 I281 A331 Y332 R333 T351G277-I279 PolarHBondContact O-N 3.33Å; I279-I281 PolarHBondContact O-N 3.32Å; I279-A331 HydrophobicContact CD1-CB 4.08Å; I279-A331 HydrophobicContact CG1-CB 4.03Å; I279-Y332 WeakPolarHBondContact CG1-O 3.34Å; I279-R333 HydrophobicContact CG1-CG 4.24Å; I279-T351 HydrophobicContact CB-CG2 4.48Å; I279-T351 PolarHBondContact N-OG1 3.18Å; I279-T351 VanDerWaalsContact N-OG1 3.11Å
280S97.7Very high97.9Very high34 Ų3443.4 Ų43.424%0.23824%0.242CC..SBendtrans-76.656.4168.6-580000111.1G277 K282 N350 T351G277-S280 CarbonylContact O-C 3.57Å; G277-S280 PolarHBondContact O-N 3.42Å; S280-K282 PolarHBondContact O-N 2.95Å; S280-N350 WeakPolarHBondContact CB-OD1 3.44Å; S280-N350 PolarHBondContact OG-OD1 2.96Å; S280-T351 VanDerWaalsContact CB-OG1 3.3Å; S280-T351 WeakPolarHBondContact CB-OG1 3.34Å; S280-T351 PolarHBondContact N-OG1 3.47Å; S280-T351 PolarHBondContact OG-N 3.17Å; S280-T351 PolarHBondContact OG-OG1 3.42Å
281I98.1Very high97.9Very high111 Ų11145.2 Ų45.257%0.56925%0.25SS*.PPolyproline II helixtrans-52.2133.8-169.5-167.4166.1000113.5S276 I279 M287S276-I281 WeakPolarHBondContact O-CA 3.38Å; I279-I281 PolarHBondContact O-N 3.32Å; I281-M287 HydrophobicContact CG1-CE 4.24Å
282K97.6Very high97.9Very high39 Ų3945.4 Ų45.417%0.1725%0.251CS..PPolyproline II helixtrans-66.6154.6173.2-65.7-176.2-158.1-780111.3D275 S276 S280 M287 M290 D352D275-K282 WeakPolarHBondContact O-CE 3.35Å; D275-K282 WeakPolarHBondContact OD2-CE 3.37Å; D275-K282 IonicContact OD2-NZ 2.71Å; D275-K282 PolarHBondContact OD2-NZ 3.06Å; S276-K282 PolarHBondContact O-N 3.36Å; S280-K282 PolarHBondContact O-N 2.95Å; K282-M287 HydrophobicContact CB-CE 4.08Å; K282-M287 WeakPolarHBondContact O-CE 3.32Å; K282-M290 HydrophobicContact CD-CG 3.89Å; K282-M290 HydrophobicContact CD-SD 3.53Å; K282-M290 VanDerWaalsContact CD-SD 3.53Å; K282-M290 WeakPolarHBondContact CE-SD 3.13Å; K282-D352 WeakPolarHBondContact CE-OD1 3.35Å; K282-D352 WeakPolarHBondContact CG-OD1 3.3Å; K282-D352 IonicContact NZ-OD1 3.77Å; K282-D352 PolarHBondContact NZ-OD1 3.34Å; K282-D352 IonicContact NZ-OD2 2.68Å; K282-D352 PolarHBondContact NZ-OD2 3.21Å; K282-D352 VanDerWaalsContact NZ-OD2 3.11Å
283P97.3Very high97.9Very high102 Ų10246 Ų4666%0.66226%0.255SS*.PPolyproline II helixtrans-55.7146.6167.1-23.734.7000112E285P283-E285 PolarHBondContact O-N 2.8Å
284S97.6Very high97.9Very high108 Ų10846.1 Ų46.176%0.75526%0.255SS*.SBendtrans-64.1-27.3177.7-51.70000113.2G286 M287S284-G286 PolarHBondContact O-N 3.34Å; S284-M287 WeakPolarHBondContact O-CB 3.47Å; S284-M287 PolarHBondContact O-N 2.98Å
285E96.6Very high97.9Very high186 Ų18644.8 Ų44.887%0.86925%0.25SC*.THydrogen-bonded Turntrans-63.8120176.6-174.9175.6-166.900110.6P283 M287P283-E285 PolarHBondContact O-N 2.8Å; E285-M287 PolarHBondContact O-N 2.98Å
286G95.5Very high97.9Very high30 Ų3044.7 Ų44.731%0.30925%0.25SC..THydrogen-bonded Turntrans75.91-179.500000115.2S284 D288 E289S284-G286 PolarHBondContact O-N 3.34Å; G286-D288 PolarHBondContact O-N 2.83Å; G286-D288 VanDerWaalsContact O-N 3.11Å; G286-E289 VanDerWaalsContact O-CB 3.31Å; G286-E289 WeakPolarHBondContact O-CB 3.35Å; G286-E289 PolarHBondContact O-N 3.48Å
287M97.9Very high98Very high37 Ų3744.5 Ų44.518%0.18225%0.248CC..G310 helixtrans-59.2-25.8179.3-172.1179.8-71.500112.7F274 I281 K282 S284 E285 E289 M290F274-M287 HydrophobicContact CZ-CG 4.08Å; I281-M287 HydrophobicContact CG1-CE 4.24Å; K282-M287 HydrophobicContact CB-CE 4.08Å; K282-M287 WeakPolarHBondContact O-CE 3.32Å; S284-M287 WeakPolarHBondContact O-CB 3.47Å; S284-M287 PolarHBondContact O-N 2.98Å; E285-M287 PolarHBondContact O-N 2.98Å; M287-E289 PolarHBondContact O-N 3.38Å; M287-M290 HydrophobicContact CG-CG 4.44Å; M287-M290 VanDerWaalsContact O-CB 3.32Å; M287-M290 WeakPolarHBondContact O-CB 3.45Å; M287-M290 WeakPolarHBondContact O-CG 3.2Å; M287-M290 PolarHBondContact O-N 2.89Å
288D97Very high98Very high89 Ų8944.6 Ų44.648%0.47625%0.249SC..G310 helixtrans-62.8-23.617474.5-69.2000113.4G286 M290 K479G286-D288 PolarHBondContact O-N 2.83Å; G286-D288 VanDerWaalsContact O-N 3.11Å; D288-M290 VanDerWaalsContact C-N 3.28Å; D288-K479 IonicContact OD1-NZ 3.56Å; D288-K479 PolarHBondContact OD1-NZ 3.42Å; D288-K479 IonicContact OD2-NZ 2.73Å; D288-K479 PolarHBondContact OD2-NZ 3.04Å
289E97.8Very high98Very high23 Ų2344.6 Ų44.611%0.10725%0.249CC..G310 helixtrans-78.7-10.9176.1-57.8-170.6173.900112.4G286 M287 K291 Y292 W473 S475 K479G286-E289 VanDerWaalsContact O-CB 3.31Å; G286-E289 WeakPolarHBondContact O-CB 3.35Å; G286-E289 PolarHBondContact O-N 3.48Å; M287-E289 PolarHBondContact O-N 3.38Å; E289-K291 PolarHBondContact O-N 3.48Å; E289-K291 VanDerWaalsContact O-N 3.08Å; E289-Y292 HydrophobicContact CB-CD2 3.91Å; E289-Y292 HydrophobicContact CB-CE2 4.12Å; E289-Y292 HydrophobicContact CG-CE2 4.3Å; E289-Y292 WeakPolarHBondContact O-CB 3.31Å; E289-Y292 WeakPolarHBondContact O-CD2 3.47Å; E289-Y292 PolarHBondContact O-N 3.12Å; E289-W473 PolarHBondContact OE2-NE1 3.02Å; E289-S475 VanDerWaalsContact OE1-CB 3.29Å; E289-S475 WeakPolarHBondContact OE1-CB 3.41Å; E289-S475 PolarHBondContact OE1-OG 3.08Å; E289-S475 PolarHBondContact OE2-OG 2.72Å; E289-K479 HydrophobicContact CG-CD 4.34Å; E289-K479 WeakPolarHBondContact OE1-CE 3.28Å; E289-K479 IonicContact OE1-NZ 2.72Å; E289-K479 PolarHBondContact OE1-NZ 3.21Å; E289-K479 VanDerWaalsContact OE1-NZ 3.13Å
290M98.3Very high98.1Very high31 Ų3140.9 Ų40.915%0.15323%0.23CC..G310 helixtrans-71.2-4.2-179.2-57.9-61.696.400113.7F274 D275 K282 M287 D288 Y292 D293F274-M290 HydrophobicContact CE2-CB 4.33Å; D275-M290 HydrophobicContact CB-CB 4.43Å; D275-M290 WeakPolarHBondContact O-CB 3.24Å; D275-M290 WeakPolarHBondContact O-CG 3.28Å; K282-M290 HydrophobicContact CD-CG 3.89Å; K282-M290 HydrophobicContact CD-SD 3.53Å; K282-M290 VanDerWaalsContact CD-SD 3.53Å; K282-M290 WeakPolarHBondContact CE-SD 3.13Å; M287-M290 HydrophobicContact CG-CG 4.44Å; M287-M290 VanDerWaalsContact O-CB 3.32Å; M287-M290 WeakPolarHBondContact O-CB 3.45Å; M287-M290 WeakPolarHBondContact O-CG 3.2Å; M287-M290 PolarHBondContact O-N 2.89Å; D288-M290 VanDerWaalsContact C-N 3.28Å; M290-Y292 PolarHBondContact O-N 3.16Å; M290-D293 WeakPolarHBondContact O-CB 3.36Å; M290-D293 PolarHBondContact O-N 2.89Å
291K98.5Very high98.1Very high40 Ų4039.9 Ų39.917%0.17422%0.221CC..G310 helixtrans-64.6-23.4162.473.7176-171.2172.80113.1N192 P195 E289 D293 M294N192-K291 PolarHBondContact O-NZ 2.97Å; P195-K291 HydrophobicContact CG-CB 4.47Å; E289-K291 PolarHBondContact O-N 3.48Å; E289-K291 VanDerWaalsContact O-N 3.08Å; K291-D293 PolarHBondContact O-N 2.79Å; K291-M294 WeakPolarHBondContact O-CG 3.36Å
292Y98.7Very high98.2Very high4 Ų434.6 Ų34.62%0.01619%0.194CC..G310 helixtrans-77.7-4.1178.4-59.8-58.3000112.1G191 E289 M290 M294 C295 W473 K479 G480 A481G191-Y292 WeakPolarHBondContact O-CD1 3.49Å; G191-Y292 WeakPolarHBondContact O-CE1 3.29Å; E289-Y292 HydrophobicContact CB-CD2 3.91Å; E289-Y292 HydrophobicContact CB-CE2 4.12Å; E289-Y292 HydrophobicContact CG-CE2 4.3Å; E289-Y292 WeakPolarHBondContact O-CB 3.31Å; E289-Y292 WeakPolarHBondContact O-CD2 3.47Å; E289-Y292 PolarHBondContact O-N 3.12Å; M290-Y292 PolarHBondContact O-N 3.16Å; Y292-M294 PolarHBondContact O-N 2.76Å; Y292-M294 VanDerWaalsContact O-N 3.08Å; Y292-C295 VanDerWaalsContact O-CB 3.25Å; Y292-C295 WeakPolarHBondContact O-CB 3.41Å; Y292-C295 PolarHBondContact O-N 3.19Å; Y292-C295 PolarHBondContact O-SG 2.81Å; Y292-W473 HydrophobicContact CD1-CB 4Å; Y292-W473 HydrophobicContact CD2-CB 3.71Å; Y292-W473 AromaticContact CD2-CD1 3.38Å; Y292-W473 AromaticContact CD2-CD2 3.94Å; Y292-W473 HydrophobicContact CD2-CD2 3.94Å; Y292-W473 AromaticContact CD2-CG 3.4Å; Y292-W473 HydrophobicContact CD2-CG 3.4Å; Y292-W473 VanDerWaalsContact CD2-CG 3.4Å; Y292-W473 AromaticContact CD2-NE1 3.92Å; Y292-W473 HydrophobicContact CE1-CB 4.41Å; Y292-W473 HydrophobicContact CE2-CB 4.16Å; Y292-W473 AromaticContact CE2-CD1 3.7Å; Y292-W473 HydrophobicContact CE2-CG 4.03Å; Y292-W473 HydrophobicContact CG-CB 3.66Å; Y292-W473 HydrophobicContact CG-CD2 4.16Å; Y292-W473 AromaticContact CG-CG 3.74Å; Y292-W473 HydrophobicContact CG-CG 3.74Å; Y292-K479 HydrophobicContact CE2-CG 4.25Å; Y292-G480 WeakPolarHBondContact OH-CA 3.4Å; Y292-A481 HydrophobicContact CD1-CB 4.13Å; Y292-A481 HydrophobicContact CE1-CB 4.15Å
293D98.5Very high98.2Very high14 Ų1432.7 Ų32.78%0.07519%0.186CC..G310 helixtrans-71.3-4.1-178.2-158.943.1000113.8K270 L272 D275 M290 K291 T379K270-D293 WeakPolarHBondContact CE-OD2 3.48Å; K270-D293 IonicContact NZ-OD1 3.56Å; K270-D293 PolarHBondContact NZ-OD1 3.4Å; K270-D293 IonicContact NZ-OD2 2.62Å; K270-D293 PolarHBondContact NZ-OD2 3.28Å; L272-D293 HydrophobicContact CB-CB 4.14Å; L272-D293 WeakPolarHBondContact CB-OD2 3.31Å; L272-D293 CarbonylContact O-C 3.32Å; D275-D293 HydrophobicContact CB-CB 4.07Å; D275-D293 WeakPolarHBondContact CB-OD2 3.21Å; M290-D293 WeakPolarHBondContact O-CB 3.36Å; M290-D293 PolarHBondContact O-N 2.89Å; K291-D293 PolarHBondContact O-N 2.79Å; D293-T379 VanDerWaalsContact CA-OG1 3.29Å; D293-T379 WeakPolarHBondContact CA-OG1 3.44Å; D293-T379 PolarHBondContact O-OG1 3.19Å; D293-T379 WeakPolarHBondContact OD1-CB 3.46Å; D293-T379 PolarHBondContact OD1-OG1 3.45Å
294M98.7Very high98.3Very high3 Ų327.9 Ų27.92%0.01515%0.154CC..G310 helixtrans-95.44.1169.965.580.260.700114.2L190 L203 K270 L272 T273 K291 Y292 G296 A297 A298L190-M294 HydrophobicContact CB-CE 4.07Å; L190-M294 HydrophobicContact CB-SD 4.32Å; L203-M294 HydrophobicContact CD1-CE 3.8Å; L203-M294 HydrophobicContact CD2-CE 3.13Å; L203-M294 HydrophobicContact CG-CE 3.88Å; K270-M294 CarbonylContact O-C 3.54Å; L272-M294 WeakPolarHBondContact O-CB 3.47Å; L272-M294 PolarHBondContact O-N 2.88Å; T273-M294 HydrophobicContact CG2-CB 4.18Å; T273-M294 HydrophobicContact CG2-CG 4.41Å; K291-M294 WeakPolarHBondContact O-CG 3.36Å; Y292-M294 PolarHBondContact O-N 2.76Å; Y292-M294 VanDerWaalsContact O-N 3.08Å; M294-G296 PolarHBondContact O-N 3.41Å; M294-G296 VanDerWaalsContact O-N 3.11Å; M294-A297 PolarHBondContact O-N 2.82Å; M294-A297 VanDerWaalsContact O-N 3.08Å; M294-A298 HydrophobicContact CE-CB 4.12Å; M294-A298 PolarHBondContact O-N 3.37Å; M294-A298 HydrophobicContact SD-CB 3.87Å
295C98.9Very high98.3Very high7 Ų726.6 Ų26.65%0.04713%0.133CC..Hα-helixtrans-61-23.7-175.9-77.30000113.5Y292 A298 A299 T379 I468 A472Y292-C295 VanDerWaalsContact O-CB 3.25Å; Y292-C295 WeakPolarHBondContact O-CB 3.41Å; Y292-C295 PolarHBondContact O-N 3.19Å; Y292-C295 PolarHBondContact O-SG 2.81Å; C295-A298 PolarHBondContact O-N 3.1Å; C295-A299 WeakPolarHBondContact O-CB 3.47Å; C295-A299 PolarHBondContact O-N 3.44Å; C295-T379 HydrophobicContact CB-CG2 4.06Å; C295-I468 HydrophobicContact CB-CD1 4.18Å; C295-A472 HydrophobicContact CB-CB 3.68Å
296G98.9Very high98.4Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-61-52.3172.100000111.9G269 K270 M294 A298 A299 V300 V377G269-G296 VanDerWaalsContact CA-C 3.48Å; K270-G296 CarbonylContact O-C 3.25Å; K270-G296 WeakPolarHBondContact O-CA 3.37Å; K270-G296 PolarHBondContact O-N 3.39Å; M294-G296 PolarHBondContact O-N 3.41Å; M294-G296 VanDerWaalsContact O-N 3.11Å; G296-A298 VanDerWaalsContact C-N 3.34Å; G296-A298 PolarHBondContact O-N 2.88Å; G296-A299 PolarHBondContact O-N 2.95Å; G296-V300 PolarHBondContact O-N 2.71Å; G296-V377 VanDerWaalsContact CA-O 3.27Å; G296-V377 WeakPolarHBondContact CA-O 3.24Å
297A98.9Very high98.6Very high0 Ų016.3 Ų16.30%08%0.077CC..Hα-helixtrans-61.6-41172.900000111.7L203 K270 M294 A299 V300 Y301 L320L203-A297 HydrophobicContact CD1-CB 4.39Å; K270-A297 PolarHBondContact O-N 2.99Å; M294-A297 PolarHBondContact O-N 2.82Å; M294-A297 VanDerWaalsContact O-N 3.08Å; A297-A299 VanDerWaalsContact C-N 3.31Å; A297-A299 PolarHBondContact O-N 2.67Å; A297-V300 PolarHBondContact O-N 3.5Å; A297-Y301 WeakPolarHBondContact O-CB 3.44Å; A297-Y301 PolarHBondContact O-N 3.1Å; A297-L320 HydrophobicContact CB-CB 4.15Å; A297-L320 HydrophobicContact CB-CD2 4.12Å; A297-L320 VanDerWaalsContact O-CD2 3.27Å; A297-L320 WeakPolarHBondContact O-CD2 3.08Å
298A98.9Very high98.6Very high1 Ų114.7 Ų14.71%0.0087%0.069CC..Hα-helixtrans-60-41.8177.200000112.4A187 L190 M294 C295 G296 Y301 G302A187-A298 WeakPolarHBondContact CA-O 3.4Å; A187-A298 HydrophobicContact CB-CB 4.24Å; A187-A298 VanDerWaalsContact CB-O 3.25Å; A187-A298 WeakPolarHBondContact CB-O 3.47Å; L190-A298 HydrophobicContact CB-CB 3.79Å; L190-A298 HydrophobicContact CD1-CB 4.05Å; M294-A298 HydrophobicContact CE-CB 4.12Å; M294-A298 PolarHBondContact O-N 3.37Å; M294-A298 HydrophobicContact SD-CB 3.87Å; C295-A298 PolarHBondContact O-N 3.1Å; G296-A298 VanDerWaalsContact C-N 3.34Å; G296-A298 PolarHBondContact O-N 2.88Å; A298-Y301 PolarHBondContact O-N 3.05Å; A298-G302 PolarHBondContact O-N 3.47Å
299A98.9Very high98.6Very high0 Ų013.6 Ų13.60%06%0.061CC..Hα-helixtrans-66.3-45.3176.700000111.9C295 G296 A297 Y301 G302 V303 V377 V486C295-A299 WeakPolarHBondContact O-CB 3.47Å; C295-A299 PolarHBondContact O-N 3.44Å; G296-A299 PolarHBondContact O-N 2.95Å; A297-A299 VanDerWaalsContact C-N 3.31Å; A297-A299 PolarHBondContact O-N 2.67Å; A299-Y301 VanDerWaalsContact C-N 3.34Å; A299-Y301 PolarHBondContact O-N 3.33Å; A299-G302 PolarHBondContact O-N 2.77Å; A299-G302 VanDerWaalsContact O-N 3.16Å; A299-V303 WeakPolarHBondContact O-CG2 3.35Å; A299-V303 PolarHBondContact O-N 3.13Å; A299-V377 HydrophobicContact CB-CG1 4.46Å; A299-V486 HydrophobicContact CB-CG2 3.97Å; A299-V486 WeakPolarHBondContact O-CG2 3.36Å
300V99Very high98.6Very high0 Ų013.2 Ų13.20%06%0.06CC..Hα-helixtrans-58.9-45.6175.6171.70000111.1L267 G296 A297 G302 V303 M304 L320 V377L267-V300 HydrophobicContact CB-CG1 3.93Å; L267-V300 HydrophobicContact CB-CG2 4.01Å; G296-V300 PolarHBondContact O-N 2.71Å; A297-V300 PolarHBondContact O-N 3.5Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 2.81Å; V300-V303 PolarHBondContact O-N 3.28Å; V300-M304 HydrophobicContact CG1-CG 4.38Å; V300-M304 WeakPolarHBondContact O-CG 3.41Å; V300-M304 PolarHBondContact O-N 3.22Å; V300-L320 HydrophobicContact CB-CD2 3.85Å; V300-L320 HydrophobicContact CG1-CD2 3.74Å; V300-V377 HydrophobicContact CG2-CG2 4.24Å
301Y98.9Very high98.6Very high12 Ų1218.3 Ų18.35%0.0478%0.083CC..Hα-helixtrans-58.3-45.3174.4174.7-104.1000112.3A186 L190 Q206 L210 I252 A297 A298 A299 V303 M304 R305 L320A186-Y301 HydrophobicContact CB-CD1 4.16Å; A186-Y301 HydrophobicContact CB-CE1 3.9Å; L190-Y301 HydrophobicContact CD1-CD1 3.4Å; L190-Y301 HydrophobicContact CD1-CE1 4.08Å; L190-Y301 HydrophobicContact CD1-CG 3.87Å; L190-Y301 HydrophobicContact CG-CD1 4.31Å; Q206-Y301 HydrophobicContact CB-CE2 4Å; Q206-Y301 PolarHBondContact NE2-OH 3.26Å; Q206-Y301 WeakPolarHBondContact O-CE2 3.27Å; L210-Y301 HydrophobicContact CB-CE2 4.02Å; L210-Y301 HydrophobicContact CD2-CD2 4.45Å; L210-Y301 HydrophobicContact CD2-CE2 4.19Å; I252-Y301 HydrophobicContact CD1-CD2 4.27Å; A297-Y301 WeakPolarHBondContact O-CB 3.44Å; A297-Y301 PolarHBondContact O-N 3.1Å; A298-Y301 PolarHBondContact O-N 3.05Å; A299-Y301 VanDerWaalsContact C-N 3.34Å; A299-Y301 PolarHBondContact O-N 3.33Å; Y301-V303 VanDerWaalsContact C-N 3.32Å; Y301-V303 PolarHBondContact O-N 2.86Å; Y301-M304 PolarHBondContact O-N 3.49Å; Y301-R305 PolarHBondContact O-N 3.43Å; Y301-L320 HydrophobicContact CD2-CD1 4.49Å
302G98.9Very high98.5Very high0 Ų016.4 Ų16.40%08%0.075CC..Hα-helixtrans-59.2-41176.100000113G183 A298 A299 V300 M306G183-G302 WeakPolarHBondContact CA-O 3.35Å; G183-G302 VanDerWaalsContact O-CA 3.31Å; G183-G302 WeakPolarHBondContact O-CA 3.11Å; A298-G302 PolarHBondContact O-N 3.47Å; A299-G302 PolarHBondContact O-N 2.77Å; A299-G302 VanDerWaalsContact O-N 3.16Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 2.81Å; G302-M306 PolarHBondContact O-N 3.3Å
303V98.9Very high98.4Very high0 Ų019.1 Ų19.10%09%0.093CC..Hα-helixtrans-67.3-46.6175.7176.40000110.9L267 A299 V300 Y301 R305 M306 V307 V486 L489 L493L267-V303 HydrophobicContact CD1-CB 4.07Å; L267-V303 HydrophobicContact CD1-CG1 3.52Å; A299-V303 WeakPolarHBondContact O-CG2 3.35Å; A299-V303 PolarHBondContact O-N 3.13Å; V300-V303 PolarHBondContact O-N 3.28Å; Y301-V303 VanDerWaalsContact C-N 3.32Å; Y301-V303 PolarHBondContact O-N 2.86Å; V303-R305 PolarHBondContact O-N 3.34Å; V303-M306 HydrophobicContact CG1-CE 4.1Å; V303-M306 WeakPolarHBondContact O-CA 3.38Å; V303-M306 WeakPolarHBondContact O-CB 3.47Å; V303-M306 PolarHBondContact O-N 3.4Å; V303-V307 HydrophobicContact CG1-CG2 4.19Å; V303-V307 WeakPolarHBondContact O-CG2 3.49Å; V303-V307 PolarHBondContact O-N 3.15Å; V303-V486 HydrophobicContact CG2-CB 4.3Å; V303-V486 HydrophobicContact CG2-CG1 4.05Å; V303-V486 HydrophobicContact CG2-CG2 4.3Å; V303-L489 HydrophobicContact CG1-CB 4.4Å; V303-L489 HydrophobicContact CG2-CB 3.62Å; V303-L489 HydrophobicContact CG2-CD1 4.07Å; V303-L493 HydrophobicContact CG1-CD1 3.48Å; V303-L493 VanDerWaalsContact CG1-CD1 3.48Å
304M98.9Very high98.4Very high1 Ų119.5 Ų19.51%0.00510%0.095CC..Hα-helixtrans-58.8-38.1178.1-69.2-51.3-64.600112.3L210 I252 V300 Y301 V307 A308 V316L210-M304 HydrophobicContact CD2-CB 3.9Å; I252-M304 HydrophobicContact CB-CE 4.32Å; I252-M304 HydrophobicContact CB-CG 4.49Å; I252-M304 HydrophobicContact CD1-CB 4.46Å; I252-M304 HydrophobicContact CD1-CG 4.41Å; I252-M304 HydrophobicContact CG2-CB 4.43Å; I252-M304 HydrophobicContact CG2-CE 3.86Å; I252-M304 HydrophobicContact CG2-CG 4.44Å; V300-M304 HydrophobicContact CG1-CG 4.38Å; V300-M304 WeakPolarHBondContact O-CG 3.41Å; V300-M304 PolarHBondContact O-N 3.22Å; Y301-M304 PolarHBondContact O-N 3.49Å; M304-V307 PolarHBondContact O-N 2.99Å; M304-A308 WeakPolarHBondContact O-CB 3.39Å; M304-A308 PolarHBondContact O-N 3.44Å; M304-V316 HydrophobicContact CE-CB 4.3Å; M304-V316 HydrophobicContact CE-CG1 4.28Å; M304-V316 HydrophobicContact SD-CB 4.23Å; M304-V316 HydrophobicContact SD-CG1 3.59Å; M304-V316 VanDerWaalsContact SD-CG1 3.59Å
305R98.5Very high98.3Very high80 Ų8020.3 Ų20.330%0.30210%0.099SC..Hα-helixtrans-59.8-48.1172.3179.3-179175.5157.15.8112L210 Y301 V303 A308 E309L210-R305 HydrophobicContact CD1-CB 4.05Å; L210-R305 HydrophobicContact CD1-CG 4.21Å; Y301-R305 PolarHBondContact O-N 3.43Å; V303-R305 PolarHBondContact O-N 3.34Å; R305-A308 PolarHBondContact O-N 3.05Å; R305-E309 VanDerWaalsContact O-CB 3.3Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 PolarHBondContact O-N 3.4Å
306M98.5Very high98.3Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-61.6-43.4178176.6-76.6-53.200111.6A179 I180 G302 V303 A308 E309 L310 L312 A490 L493A179-M306 HydrophobicContact CB-CG 3.97Å; I180-M306 HydrophobicContact CG1-CG 3.88Å; G302-M306 PolarHBondContact O-N 3.3Å; V303-M306 HydrophobicContact CG1-CE 4.1Å; V303-M306 WeakPolarHBondContact O-CA 3.38Å; V303-M306 WeakPolarHBondContact O-CB 3.47Å; V303-M306 PolarHBondContact O-N 3.4Å; M306-A308 PolarHBondContact O-N 3.39Å; M306-E309 PolarHBondContact O-N 3.18Å; M306-L310 HydrophobicContact CG-CD1 4.25Å; M306-L310 WeakPolarHBondContact O-CB 3.24Å; M306-L310 PolarHBondContact O-N 2.98Å; M306-L310 HydrophobicContact SD-CD1 3.54Å; M306-L310 VanDerWaalsContact SD-CD1 3.54Å; M306-L310 HydrophobicContact SD-CG 4.18Å; M306-L312 HydrophobicContact CE-CD1 4.41Å; M306-L312 HydrophobicContact SD-CD1 4.32Å; M306-A490 HydrophobicContact CE-CB 3.52Å; M306-A490 HydrophobicContact CG-CB 4.42Å; M306-A490 HydrophobicContact SD-CB 4.26Å; M306-L493 HydrophobicContact CE-CD1 4.44Å
307V98.6Very high98.3Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-58.1-48177.4172.40000111.1Y254 V303 M304 Q311 L312 V316 L493Y254-V307 HydrophobicContact CD1-CG1 3.23Å; Y254-V307 HydrophobicContact CD2-CG1 4.27Å; Y254-V307 HydrophobicContact CE1-CG1 3.37Å; Y254-V307 HydrophobicContact CE2-CG1 4.39Å; Y254-V307 HydrophobicContact CG-CG1 3.72Å; V303-V307 HydrophobicContact CG1-CG2 4.19Å; V303-V307 WeakPolarHBondContact O-CG2 3.49Å; V303-V307 PolarHBondContact O-N 3.15Å; M304-V307 PolarHBondContact O-N 2.99Å; V307-Q311 PolarHBondContact O-N 2.86Å; V307-L312 HydrophobicContact CG1-CB 4.4Å; V307-L312 HydrophobicContact CG2-CD1 4.15Å; V307-L312 PolarHBondContact O-N 3.45Å; V307-V316 HydrophobicContact CG1-CB 4.33Å; V307-V316 HydrophobicContact CG1-CG2 3.98Å; V307-V316 HydrophobicContact CG2-CG2 4.3Å; V307-L493 HydrophobicContact CG2-CD1 3.44Å; V307-L493 VanDerWaalsContact CG2-CD1 3.44Å
308A98.2Very high98.3Very high3 Ų320.4 Ų20.43%0.02510%0.099CC..Hα-helixtrans-67-40.8179.700000112.3Y214 V218 Y254 M304 R305 M306 Q311Y214-A308 HydrophobicContact CD1-CB 4.03Å; Y214-A308 HydrophobicContact CD2-CB 3.79Å; Y214-A308 HydrophobicContact CE1-CB 4.38Å; Y214-A308 HydrophobicContact CE2-CB 4.16Å; Y214-A308 HydrophobicContact CG-CB 3.72Å; V218-A308 HydrophobicContact CG2-CB 3.87Å; Y254-A308 HydrophobicContact CD2-CB 4.49Å; M304-A308 WeakPolarHBondContact O-CB 3.39Å; M304-A308 PolarHBondContact O-N 3.44Å; R305-A308 PolarHBondContact O-N 3.05Å; M306-A308 PolarHBondContact O-N 3.39Å; A308-Q311 PolarHBondContact O-N 3.47Å
309E97.6Very high98.3Very high66 Ų6620.4 Ų20.431%0.30810%0.099SC..Hα-helixtrans-65.2-40178.8-172.7170158.900112.2A179 R305 M306 Q311A179-E309 HydrophobicContact CB-CB 4.31Å; A179-E309 HydrophobicContact CB-CG 4.12Å; R305-E309 VanDerWaalsContact O-CB 3.3Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 PolarHBondContact O-N 3.4Å; M306-E309 PolarHBondContact O-N 3.18Å; E309-Q311 VanDerWaalsContact C-N 3.34Å
310L97.7Very high98.3Very high16 Ų1620.4 Ų20.48%0.08410%0.099CC..Hα-helixtrans-83.1-9.3176.8-66.7-172.8000114.1Q175 A179 M306 L312 L494Q175-L310 HydrophobicContact CG-CD2 3.71Å; A179-L310 HydrophobicContact CB-CD1 4.09Å; A179-L310 HydrophobicContact CB-CD2 3.51Å; A179-L310 HydrophobicContact CB-CG 3.54Å; M306-L310 HydrophobicContact CG-CD1 4.25Å; M306-L310 WeakPolarHBondContact O-CB 3.24Å; M306-L310 PolarHBondContact O-N 2.98Å; M306-L310 HydrophobicContact SD-CD1 3.54Å; M306-L310 VanDerWaalsContact SD-CD1 3.54Å; M306-L310 HydrophobicContact SD-CG 4.18Å; L310-L312 VanDerWaalsContact C-N 3.29Å; L310-L312 HydrophobicContact CB-CD2 3.65Å; L310-L312 HydrophobicContact CB-CG 4.05Å; L310-L312 HydrophobicContact CD1-CD2 4.1Å; L310-L312 PolarHBondContact O-N 3.5Å; L310-L494 HydrophobicContact CD1-CD2 3.94Å
311Q97Very high98.3Very high137 Ų13720.4 Ų20.464%0.6410%0.099SC*.THydrogen-bonded Turntrans5049.5-174.8-56.8-179.68.500111.8Y254 V307 A308 E309Y254-Q311 VanDerWaalsContact OH-CA 3.24Å; Y254-Q311 WeakPolarHBondContact OH-CA 3.29Å; V307-Q311 PolarHBondContact O-N 2.86Å; A308-Q311 PolarHBondContact O-N 3.47Å; E309-Q311 VanDerWaalsContact C-N 3.34Å
312L97.4Very high98.3Very high1 Ų119.9 Ų19.91%0.00510%0.097CC..  trans-58.7139.7-176.6-60.4-173.9000111.3Y254 G256 M306 V307 L310 I314 L493 L494 A497 F499Y254-L312 WeakPolarHBondContact CE1-O 3.3Å; Y254-L312 PolarHBondContact OH-N 2.84Å; Y254-L312 VanDerWaalsContact OH-N 3.12Å; Y254-L312 PolarHBondContact OH-O 2.86Å; G256-L312 WeakPolarHBondContact CA-O 3.16Å; M306-L312 HydrophobicContact CE-CD1 4.41Å; M306-L312 HydrophobicContact SD-CD1 4.32Å; V307-L312 HydrophobicContact CG1-CB 4.4Å; V307-L312 HydrophobicContact CG2-CD1 4.15Å; V307-L312 PolarHBondContact O-N 3.45Å; L310-L312 VanDerWaalsContact C-N 3.29Å; L310-L312 HydrophobicContact CB-CD2 3.65Å; L310-L312 HydrophobicContact CB-CG 4.05Å; L310-L312 HydrophobicContact CD1-CD2 4.1Å; L310-L312 PolarHBondContact O-N 3.5Å; L312-I314 HydrophobicContact CB-CG1 3.99Å; L312-I314 HydrophobicContact CD1-CD1 4.49Å; L312-I314 PolarHBondContact O-N 3.21Å; L312-L493 HydrophobicContact CD1-CB 4.14Å; L312-L494 HydrophobicContact CD2-CD2 3.87Å; L312-A497 HydrophobicContact CB-CB 4.41Å; L312-A497 HydrophobicContact CD2-CB 4.45Å; L312-F499 HydrophobicContact CD2-CD2 4.02Å; L312-F499 HydrophobicContact CD2-CE2 3.9Å
313P96.7Very high98.3Very high61 Ų6120 Ų2040%0.39610%0.098SC..SBendtrans-7940.7-17633.9-39.1000113.7G256 N257 A497 F499G256-P313 WeakPolarHBondContact O-CA 3.3Å; N257-P313 PolarHBondContact ND2-O 3.46Å; P313-A497 HydrophobicContact CG-CB 4.28Å; P313-F499 HydrophobicContact CG-CE2 4.34Å
314I97.7Very high98.3Very high21 Ų2120.6 Ų20.611%0.10810%0.101CC..SBendtrans-137.7154.9-177.756.8172.5000110.3Y254 G256 L312 V316 L493 A497Y254-I314 WeakPolarHBondContact CD1-O 3.23Å; Y254-I314 WeakPolarHBondContact CE1-O 3.39Å; G256-I314 WeakPolarHBondContact CA-O 3.42Å; G256-I314 PolarHBondContact N-O 3.36Å; L312-I314 HydrophobicContact CB-CG1 3.99Å; L312-I314 HydrophobicContact CD1-CD1 4.49Å; L312-I314 PolarHBondContact O-N 3.21Å; I314-V316 HydrophobicContact CD1-CG2 3.94Å; I314-V316 HydrophobicContact CG1-CG2 3.93Å; I314-L493 HydrophobicContact CD1-CB 4.19Å; I314-L493 HydrophobicContact CD1-CD2 3.98Å; I314-A497 HydrophobicContact CD1-CB 4.32Å; I314-A497 HydrophobicContact CG2-CB 4.25Å
315N98.3Very high98.3Very high20 Ų2020.6 Ų20.611%0.10710%0.101CC..  trans-87.6130.1173.9-68.2-16.8000109.4Y254 K255 G256 N257 A262 P264 I265Y254-N315 WeakPolarHBondContact O-CA 3.35Å; K255-N315 WeakPolarHBondContact CA-OD1 3.3Å; G256-N315 PolarHBondContact N-OD1 2.72Å; G256-N315 VanDerWaalsContact N-OD1 3.1Å; N257-N315 WeakPolarHBondContact CB-OD1 3.35Å; N257-N315 PolarHBondContact N-OD1 2.62Å; A262-N315 PolarHBondContact O-ND2 3.13Å; P264-N315 WeakPolarHBondContact CA-O 3.1Å; P264-N315 HydrophobicContact CB-CB 4.07Å; I265-N315 PolarHBondContact N-O 3.32Å
316V98.7Very high98.3Very high0 Ų019.4 Ų19.40%010%0.099CC..EExtended strand (participates in β ladder)trans-134.4134179.9-169.30000109.1Y254 I265 L267 M304 V307 I314 L493Y254-V316 WeakPolarHBondContact CA-O 3.48Å; Y254-V316 WeakPolarHBondContact CB-O 3.46Å; Y254-V316 HydrophobicContact CD1-CB 4.42Å; Y254-V316 HydrophobicContact CD1-CG2 4.4Å; Y254-V316 PolarHBondContact N-O 2.73Å; Y254-V316 PolarHBondContact O-N 3.36Å; I265-V316 CarbonylContact O-C 3.53Å; I265-V316 VanDerWaalsContact O-CA 3.3Å; I265-V316 WeakPolarHBondContact O-CA 3.48Å; L267-V316 HydrophobicContact CD1-CG1 4.28Å; L267-V316 HydrophobicContact CG-CG1 4.34Å; M304-V316 HydrophobicContact CE-CB 4.3Å; M304-V316 HydrophobicContact CE-CG1 4.28Å; M304-V316 HydrophobicContact SD-CB 4.23Å; M304-V316 HydrophobicContact SD-CG1 3.59Å; M304-V316 VanDerWaalsContact SD-CG1 3.59Å; V307-V316 HydrophobicContact CG1-CB 4.33Å; V307-V316 HydrophobicContact CG1-CG2 3.98Å; V307-V316 HydrophobicContact CG2-CG2 4.3Å; I314-V316 HydrophobicContact CD1-CG2 3.94Å; I314-V316 HydrophobicContact CG1-CG2 3.93Å; V316-L493 HydrophobicContact CG1-CD1 4.29Å; V316-L493 HydrophobicContact CG2-CD1 4.33Å; V316-L493 HydrophobicContact CG2-CD2 4.34Å
317I98.8Very high98.3Very high10 Ų1022.1 Ų22.15%0.05112%0.117CC..EExtended strand (participates in β ladder)trans-116.9123.9173.1-59.9176.9000108.2V251 I252 E253 P264 I265 V266 L267 V319 F369V251-I317 HydrophobicContact CG1-CG2 3.8Å; I252-I317 CarbonylContact O-C 3.49Å; I252-I317 VanDerWaalsContact O-CA 3.29Å; I252-I317 WeakPolarHBondContact O-CA 3.49Å; E253-I317 HydrophobicContact CG-CD1 4.41Å; E253-I317 HydrophobicContact CG-CG1 4.25Å; E253-I317 HydrophobicContact CG-CG2 4.45Å; P264-I317 HydrophobicContact CB-CD1 3.94Å; P264-I317 HydrophobicContact CB-CG1 3.92Å; P264-I317 HydrophobicContact CG-CD1 3.72Å; P264-I317 HydrophobicContact CG-CG1 4.28Å; I265-I317 PolarHBondContact O-N 2.95Å; V266-I317 CarbonylContact C-O 3.6Å; V266-I317 WeakPolarHBondContact CA-O 3.4Å; V266-I317 HydrophobicContact CG1-CB 4.43Å; V266-I317 HydrophobicContact CG1-CG2 4.48Å; V266-I317 HydrophobicContact CG2-CB 4.13Å; V266-I317 HydrophobicContact CG2-CD1 4.46Å; L267-I317 PolarHBondContact N-O 3.23Å; I317-V319 HydrophobicContact CG2-CG2 4.14Å; I317-F369 HydrophobicContact CD1-CB 3.82Å; I317-F369 HydrophobicContact CD1-CD1 3.65Å; I317-F369 HydrophobicContact CD1-CD2 4.03Å; I317-F369 HydrophobicContact CD1-CE1 4.18Å; I317-F369 HydrophobicContact CD1-CG 3.56Å; I317-F369 HydrophobicContact CG2-CE2 4.44Å
318G98.9Very high98.2Very high0 Ų023.8 Ų23.80%013%0.134CC..EExtended strand (participates in β ladder)trans-104.3125.4172.600000110.7I252 L267I252-G318 PolarHBondContact N-O 2.93Å; I252-G318 PolarHBondContact O-N 2.95Å; L267-G318 CarbonylContact O-C 3.58Å; L267-G318 WeakPolarHBondContact O-CA 3.48Å
319V99Very high98.1Very high0 Ų028.2 Ų28.20%018%0.18CC..EExtended strand (participates in β ladder)trans-112.8122.8176.2-172.30000110M249 S250 V251 V266 L267 V268 G269 I317 V362 V366M249-V319 HydrophobicContact CG-CG1 3.61Å; M249-V319 HydrophobicContact SD-CG1 3.69Å; S250-V319 CarbonylContact O-C 3.53Å; S250-V319 VanDerWaalsContact O-CA 3.31Å; S250-V319 WeakPolarHBondContact O-CA 3.48Å; V251-V319 HydrophobicContact CG1-CG2 4.41Å; V251-V319 HydrophobicContact CG2-CG1 4.34Å; V251-V319 HydrophobicContact CG2-CG2 4.38Å; V266-V319 HydrophobicContact CG1-CG2 4.34Å; L267-V319 PolarHBondContact O-N 2.9Å; V268-V319 HydrophobicContact CG2-CB 4.31Å; G269-V319 PolarHBondContact N-O 3.49Å; I317-V319 HydrophobicContact CG2-CG2 4.14Å; V319-V362 HydrophobicContact CB-CG1 4.29Å; V319-V362 HydrophobicContact CG1-CG1 3.62Å; V319-V366 HydrophobicContact CG2-CG1 3.81Å
320L98.9Very high98.1Very high1 Ų132.8 Ų32.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-105.3111177.1-46.2-174.1000108.7A207 M249 S250 I252 A297 V300 Y301 G322A207-L320 HydrophobicContact CB-CD1 4.34Å; M249-L320 WeakPolarHBondContact CA-O 3.43Å; S250-L320 PolarHBondContact N-O 2.8Å; S250-L320 PolarHBondContact O-N 2.63Å; I252-L320 HydrophobicContact CD1-CD1 4.26Å; I252-L320 HydrophobicContact CD1-CG 4.47Å; A297-L320 HydrophobicContact CB-CB 4.15Å; A297-L320 HydrophobicContact CB-CD2 4.12Å; A297-L320 VanDerWaalsContact O-CD2 3.27Å; A297-L320 WeakPolarHBondContact O-CD2 3.08Å; V300-L320 HydrophobicContact CB-CD2 3.85Å; V300-L320 HydrophobicContact CG1-CD2 3.74Å; Y301-L320 HydrophobicContact CD2-CD1 4.49Å; L320-G322 PolarHBondContact O-N 3.35Å
321A98.8Very high98.1Very high0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-91.181.7-17900000110.7Y236 G269 G271 V358 V362Y236-A321 HydrophobicContact CE2-CB 3.92Å; Y236-A321 VanDerWaalsContact OH-CA 3.27Å; Y236-A321 WeakPolarHBondContact OH-CA 3.44Å; G269-A321 PolarHBondContact O-N 3.37Å; G271-A321 CarbonylContact C-O 3.48Å; G271-A321 VanDerWaalsContact C-O 3.25Å; G271-A321 WeakPolarHBondContact CA-O 3.46Å; G271-A321 PolarHBondContact N-O 3.08Å; A321-V358 HydrophobicContact CB-CG1 3.73Å; A321-V362 HydrophobicContact CB-CG2 3.91Å
322G98.8Very high98.1Very high1 Ų126 Ų261%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-83.8125-17800000114.8Y236 L248 G271 L320Y236-G322 VanDerWaalsContact OH-C 3.29Å; Y236-G322 PolarHBondContact OH-N 2.93Å; Y236-G322 PolarHBondContact OH-O 2.89Å; L248-G322 PolarHBondContact N-O 3.41Å; L248-G322 CarbonylContact O-C 3.42Å; L248-G322 VanDerWaalsContact O-CA 3.23Å; L248-G322 WeakPolarHBondContact O-CA 3.41Å; L248-G322 PolarHBondContact O-N 3.26Å; G271-G322 WeakPolarHBondContact O-CA 3.45Å; L320-G322 PolarHBondContact O-N 3.35Å
323C98.7Very high98.2Very high1 Ų132.9 Ų32.91%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-162.6-174.1162.755.50000110.2Y236 G271 L272 T273Y236-C323 HydrophobicContact CE1-CB 3.92Å; G271-C323 PolarHBondContact O-N 3.37Å; L272-C323 CarbonylContact C-O 3.6Å; L272-C323 WeakPolarHBondContact CA-O 3.41Å; T273-C323 PolarHBondContact N-O 3.48Å; T273-C323 PolarHBondContact OG1-O 3.33Å
324E98.6Very high98.3Very high14 Ų1432.8 Ų32.87%0.06519%0.189CC..EExtended strand (participates in β ladder)trans-125.3148167.9-65.5177.5149.600109G240 S243 N245 T273 F274 M326G240-E324 WeakPolarHBondContact CA-O 3.42Å; S243-E324 WeakPolarHBondContact CB-OE2 3.27Å; S243-E324 PolarHBondContact OG-OE2 3.5Å; N245-E324 PolarHBondContact ND2-OE1 3.15Å; N245-E324 VanDerWaalsContact ND2-OE1 3.11Å; N245-E324 PolarHBondContact ND2-OE2 3.23Å; T273-E324 WeakPolarHBondContact OG1-CG 3.34Å; F274-E324 HydrophobicContact CB-CG 4.25Å; F274-E324 WeakPolarHBondContact O-CA 3.24Å; E324-M326 HydrophobicContact CB-CG 3.97Å
325N98.7Very high98.3Very high0 Ų034.2 Ų34.20%021%0.209CC..EExtended strand (participates in β ladder)trans-105.9103.1170.9-179.527.3000108.8V239 L272 F274 D275 S276 G277 G278 T351 E354V239-N325 HydrophobicContact CG1-CB 4.09Å; L272-N325 HydrophobicContact CD1-CB 3.96Å; F274-N325 PolarHBondContact O-N 3.29Å; D275-N325 WeakPolarHBondContact OD1-CB 3.36Å; D275-N325 PolarHBondContact OD1-ND2 3.49Å; S276-N325 PolarHBondContact N-O 3.38Å; S276-N325 PolarHBondContact OG-O 3Å; S276-N325 VanDerWaalsContact OG-O 3.04Å; G277-N325 VanDerWaalsContact C-ND2 3.29Å; G277-N325 WeakPolarHBondContact CA-ND2 3.31Å; G278-N325 WeakPolarHBondContact CA-OD1 3.33Å; G278-N325 PolarHBondContact N-ND2 3.42Å; N325-T351 PolarHBondContact ND2-O 3.45Å; N325-E354 HydrophobicContact CB-CB 4.41Å; N325-E354 HydrophobicContact CB-CG 3.84Å
326M98.5Very high98.3Very high55 Ų5535 Ų3527%0.27121%0.213SC..  trans-127.4145-171.9-67.4-62.1-68.100111.2G242 F274 E324G242-M326 WeakPolarHBondContact CA-O 3.48Å; F274-M326 HydrophobicContact CD1-SD 3.67Å; F274-M326 HydrophobicContact CE1-SD 4.27Å; E324-M326 HydrophobicContact CB-CG 3.97Å
327P98Very high98.3Very high57 Ų5738.2 Ų38.237%0.3723%0.233SC..  trans-66.8151.5165.831.3-38.1000109.7S276S276-P327 WeakPolarHBondContact OG-CD 3.43Å
328G96.3Very high98.3Very high35 Ų3538.6 Ų38.636%0.36124%0.235SC..SBendtrans176.7166.9175.700000111.1R330 A331G328-R330 PolarHBondContact O-N 3.13Å; G328-A331 WeakPolarHBondContact O-CB 3.33Å; G328-A331 PolarHBondContact O-N 2.96Å
329G96.8Very high98.3Very high96 Ų9641.7 Ų41.799%0.9925%0.254SS*.THydrogen-bonded Turntrans-62.7-14.9178.800000114.3
330R96.8Very high98.3Very high163 Ų16341.9 Ų41.962%0.61526%0.255SS*.THydrogen-bonded Turntrans-109.82.1174.2-64-168.6-61.3-120.31.8113.6Q241 G328Q241-R330 WeakPolarHBondContact CG-O 3.28Å; Q241-R330 PolarHBondContact NE2-O 3.36Å; G328-R330 PolarHBondContact O-N 3.13Å
331A98.3Very high98.3Very high9 Ų943.8 Ų43.87%0.07426%0.264CS..  trans-63.6141.7179.500000110.3I279 G328I279-A331 HydrophobicContact CD1-CB 4.08Å; I279-A331 HydrophobicContact CG1-CB 4.03Å; G328-A331 WeakPolarHBondContact O-CB 3.33Å; G328-A331 PolarHBondContact O-N 2.96Å
332Y98.2Very high98.2Very high1 Ų146 Ų460%0.00428%0.28CS..  trans-62.2155.6166.876.5-48.7000110.9A238 V239 Q241 I279 L338 V348 T351 E354 L357A238-Y332 HydrophobicContact CB-CD2 4.42Å; A238-Y332 HydrophobicContact CB-CG 4.37Å; A238-Y332 WeakPolarHBondContact O-CB 3.2Å; A238-Y332 WeakPolarHBondContact O-CD1 3.31Å; A238-Y332 VanDerWaalsContact O-CG 3.24Å; V239-Y332 HydrophobicContact CG2-CE2 4.36Å; Q241-Y332 VanDerWaalsContact NE2-N 3.17Å; I279-Y332 WeakPolarHBondContact CG1-O 3.34Å; Y332-L338 HydrophobicContact CD2-CD1 4.14Å; Y332-V348 HydrophobicContact CD2-CG1 3.94Å; Y332-V348 HydrophobicContact CD2-CG2 4Å; Y332-V348 HydrophobicContact CE2-CG1 3.81Å; Y332-V348 HydrophobicContact CE2-CG2 4.22Å; Y332-T351 HydrophobicContact CD1-CG2 4.08Å; Y332-T351 HydrophobicContact CD2-CG2 4.07Å; Y332-T351 HydrophobicContact CE1-CG2 3.86Å; Y332-T351 HydrophobicContact CE2-CG2 3.85Å; Y332-T351 HydrophobicContact CG-CG2 4.19Å; Y332-T351 WeakPolarHBondContact O-CG2 3.04Å; Y332-T351 WeakPolarHBondContact OH-CA 3.18Å; Y332-T351 PolarHBondContact OH-O 3.01Å; Y332-E354 VanDerWaalsContact OH-CB 3.23Å; Y332-E354 WeakPolarHBondContact OH-CB 3.25Å; Y332-L357 HydrophobicContact CE2-CD1 3.7Å
333R98.4Very high98.2Very high146 Ų14648.4 Ų48.455%0.55131%0.305SS*.  trans-130.3155.1-166.8-58162-60.7179.18.7111I279 G335 D336I279-R333 HydrophobicContact CG1-CG 4.24Å; R333-G335 PolarHBondContact O-N 3.11Å; R333-D336 IonicContact CZ-OD1 3.51Å; R333-D336 PolarHBondContact N-OD2 3.47Å; R333-D336 IonicContact NE-OD1 3.37Å; R333-D336 PolarHBondContact NE-OD1 3.39Å; R333-D336 IonicContact NE-OD2 3.51Å; R333-D336 IonicContact NH2-OD1 2.79Å; R333-D336 PolarHBondContact NH2-OD1 2.85Å; R333-D336 IonicContact NH2-OD2 3.96Å; R333-D336 WeakPolarHBondContact O-CB 3.42Å; R333-D336 PolarHBondContact O-N 2.89Å; R333-D336 VanDerWaalsContact O-N 3.09Å
334P98.2Very high98.2Very high58 Ų5850.6 Ų50.638%0.37732%0.315SS..THydrogen-bonded Turntrans-53.5132.5162.3-24.435.6000111V348 T351P334-V348 CarbonylContact C-O 3.56Å; P334-V348 VanDerWaalsContact CA-O 3.24Å; P334-V348 WeakPolarHBondContact CA-O 3.42Å; P334-T351 HydrophobicContact CG-CG2 4.41Å
335G98.1Very high98.2Very high52 Ų5251.7 Ų51.754%0.53632%0.322SS..THydrogen-bonded Turntrans93-10.6-174.900000115R333 V348R333-G335 PolarHBondContact O-N 3.11Å; G335-V348 PolarHBondContact N-O 3.36Å
336D98.6Very high98.2Very high35 Ų3551.7 Ų51.719%0.18732%0.322CS..  trans-69146.5170.9-69.2-22.9000110R333 V348R333-D336 IonicContact CZ-OD1 3.51Å; R333-D336 PolarHBondContact N-OD2 3.47Å; R333-D336 IonicContact NE-OD1 3.37Å; R333-D336 PolarHBondContact NE-OD1 3.39Å; R333-D336 IonicContact NE-OD2 3.51Å; R333-D336 IonicContact NH2-OD1 2.79Å; R333-D336 PolarHBondContact NH2-OD1 2.85Å; R333-D336 IonicContact NH2-OD2 3.96Å; R333-D336 WeakPolarHBondContact O-CB 3.42Å; R333-D336 PolarHBondContact O-N 2.89Å; R333-D336 VanDerWaalsContact O-N 3.09Å; D336-V348 PolarHBondContact O-N 2.82Å
337V98.7Very high98.2Very high69 Ų6950.1 Ų50.142%0.41831%0.314SS..EExtended strand (participates in β ladder)trans-109.9121.5171.4177.20000108.6T345 V346 A435V337-T345 HydrophobicContact CG1-CG2 4.31Å; V337-V346 CarbonylContact C-O 3.48Å; V337-V346 WeakPolarHBondContact CA-O 3.32Å; V337-A435 HydrophobicContact CG1-CB 3.93Å; V337-A435 HydrophobicContact CG2-CB 4.42Å
338L98.6Very high98.2Very high18 Ų1847.4 Ų47.49%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-103.2138.2-177.7-55.5179.5000110.5A238 Y332 T345 V346 V348 L357A238-L338 HydrophobicContact CB-CD1 3.71Å; A238-L338 HydrophobicContact CB-CD2 3.51Å; A238-L338 HydrophobicContact CB-CG 4.24Å; Y332-L338 HydrophobicContact CD2-CD1 4.14Å; L338-T345 CarbonylContact O-C 3.6Å; L338-T345 VanDerWaalsContact O-CA 3.26Å; L338-T345 WeakPolarHBondContact O-CA 3.47Å; L338-V346 PolarHBondContact N-O 2.72Å; L338-V346 PolarHBondContact O-N 3.4Å; L338-V348 HydrophobicContact CD1-CG2 3.54Å; L338-V348 HydrophobicContact CG-CG2 3.72Å; L338-L357 HydrophobicContact CD1-CD1 4.11Å
339T98.7Very high98.3Very high65 Ų6549.4 Ų49.440%0.39930%0.299SS..EExtended strand (participates in β ladder)trans-94120.7169.3-54.10000109.3H234H234-T339 WeakPolarHBondContact CB-O 3.24Å
340T98.8Very high98.4Very high3 Ų347.2 Ų47.22%0.01827%0.265CS..PPolyproline II helixtrans-77.4165.6175.865.40000111.3S342 G343 Q344 V346 D361 F457T340-S342 PolarHBondContact O-N 2.91Å; T340-S342 VanDerWaalsContact O-N 3.13Å; T340-S342 PolarHBondContact OG1-N 3.02Å; T340-S342 PolarHBondContact OG1-OG 2.87Å; T340-G343 PolarHBondContact O-N 3.34Å; T340-Q344 PolarHBondContact N-O 3.42Å; T340-Q344 PolarHBondContact OG1-N 3.07Å; T340-Q344 PolarHBondContact OG1-O 3.47Å; T340-V346 HydrophobicContact CG2-CG2 3.74Å; T340-D361 WeakPolarHBondContact CA-OD1 3.47Å; T340-D361 WeakPolarHBondContact CB-OD1 3.31Å; T340-F457 HydrophobicContact CG2-CE1 3.87Å; T340-F457 HydrophobicContact CG2-CZ 4.03Å
341M98.7Very high98.5Very high41 Ų4139.5 Ų39.520%0.20224%0.235CC..THydrogen-bonded Turntrans-56.1-28.3172.1-178.9177.5176.500112.7L231 G232 M233 G343 D361 T364 Y365 R368L231-M341 WeakPolarHBondContact O-CG 3.25Å; G232-M341 VanDerWaalsContact O-CA 3.26Å; G232-M341 WeakPolarHBondContact O-CA 3.46Å; G232-M341 PolarHBondContact O-N 3.42Å; M233-M341 HydrophobicContact CE-SD 3.62Å; M233-M341 HydrophobicContact CG-CB 4.37Å; M233-M341 HydrophobicContact CG-SD 3.99Å; M341-G343 PolarHBondContact O-N 3.46Å; M341-D361 HydrophobicContact CB-CB 4.2Å; M341-D361 WeakPolarHBondContact CB-OD1 3.12Å; M341-D361 PolarHBondContact N-OD1 2.89Å; M341-T364 HydrophobicContact CB-CG2 4.15Å; M341-T364 HydrophobicContact CE-CG2 4.47Å; M341-T364 HydrophobicContact CG-CG2 3.81Å; M341-T364 HydrophobicContact SD-CG2 4.13Å; M341-Y365 HydrophobicContact CE-CD2 4.3Å; M341-R368 VanDerWaalsContact CE-NH2 3.31Å
342S98.2Very high98.5Very high48 Ų4841.4 Ų41.434%0.33625%0.245SC..THydrogen-bonded Turntrans-76.1-6.7176.674.10000114T340 Q344 F457T340-S342 PolarHBondContact O-N 2.91Å; T340-S342 VanDerWaalsContact O-N 3.13Å; T340-S342 PolarHBondContact OG1-N 3.02Å; T340-S342 PolarHBondContact OG1-OG 2.87Å; S342-Q344 VanDerWaalsContact C-N 3.3Å; S342-Q344 PolarHBondContact OG-N 3.46Å; S342-Q344 PolarHBondContact OG-NE2 3.39Å; S342-F457 VanDerWaalsContact OG-CE1 3.31Å; S342-F457 WeakPolarHBondContact OG-CE1 3.27Å
343G98.3Very high98.5Very high51 Ų5141.8 Ų41.853%0.52625%0.248SC..SBendtrans87.2-11.4-174.100000114.6T340 M341T340-G343 PolarHBondContact O-N 3.34Å; M341-G343 PolarHBondContact O-N 3.46Å
344Q98.3Very high98.5Very high46 Ų4635.1 Ų35.122%0.21522%0.223CC..  trans-69.2145.9175.2-66.4172.893.600111.3T340 S342 D436 M437 F457T340-Q344 PolarHBondContact N-O 3.42Å; T340-Q344 PolarHBondContact OG1-N 3.07Å; T340-Q344 PolarHBondContact OG1-O 3.47Å; S342-Q344 VanDerWaalsContact C-N 3.3Å; S342-Q344 PolarHBondContact OG-N 3.46Å; S342-Q344 PolarHBondContact OG-NE2 3.39Å; Q344-D436 WeakPolarHBondContact CA-OD2 3.42Å; Q344-M437 HydrophobicContact CB-CE 4.22Å; Q344-F457 HydrophobicContact CB-CE1 4.45Å; Q344-F457 VanDerWaalsContact NE2-CE1 3.31Å
345T98.8Very high98.5Very high37 Ų3732.4 Ų32.423%0.22721%0.205CC..EExtended strand (participates in β ladder)trans-98.4140.2176.956.60000111.8V337 L338 D436 M437V337-T345 HydrophobicContact CG1-CG2 4.31Å; L338-T345 CarbonylContact O-C 3.6Å; L338-T345 VanDerWaalsContact O-CA 3.26Å; L338-T345 WeakPolarHBondContact O-CA 3.47Å; T345-D436 PolarHBondContact N-OD2 2.98Å; T345-D436 WeakPolarHBondContact O-CB 3.47Å; T345-D436 PolarHBondContact O-N 3.18Å; T345-D436 VanDerWaalsContact OG1-CG 3.28Å; T345-D436 PolarHBondContact OG1-N 3.32Å; T345-D436 PolarHBondContact OG1-OD2 3.47Å; T345-M437 PolarHBondContact O-N 2.73Å
346V98.8Very high98.5Very high0 Ų030.6 Ų30.60%018%0.183CC..EExtended strand (participates in β ladder)trans-128.4120.5-178.1-176.30000110.3V337 L338 T340 L357 M437 N439 F453V337-V346 CarbonylContact C-O 3.48Å; V337-V346 WeakPolarHBondContact CA-O 3.32Å; L338-V346 PolarHBondContact N-O 2.72Å; L338-V346 PolarHBondContact O-N 3.4Å; T340-V346 HydrophobicContact CG2-CG2 3.74Å; V346-L357 HydrophobicContact CB-CD2 4.35Å; V346-L357 HydrophobicContact CG1-CD2 3.73Å; V346-M437 CarbonylContact C-O 3.6Å; V346-M437 VanDerWaalsContact CA-O 3.31Å; V346-M437 WeakPolarHBondContact CA-O 3.33Å; V346-M437 HydrophobicContact CB-CG 4.46Å; V346-M437 HydrophobicContact CG1-CG 4.32Å; V346-M437 HydrophobicContact CG2-CG 3.91Å; V346-M437 HydrophobicContact CG2-SD 4.3Å; V346-N439 HydrophobicContact CG1-CB 3.81Å; V346-F453 HydrophobicContact CG1-CE2 3.75Å; V346-F453 HydrophobicContact CG1-CZ 4.05Å; V346-F453 HydrophobicContact CG2-CE2 4.05Å; V346-F453 HydrophobicContact CG2-CZ 3.95Å
347E98.8Very high98.5Very high22 Ų2229 Ų2910%0.10317%0.174CC..EExtended strand (participates in β ladder)trans-76.1124.8168.9-178-176.7-168.500109.8L349 S432 F434 A435 M437 A438 N439E347-L349 HydrophobicContact CG-CD2 3.9Å; E347-L349 HydrophobicContact CG-CG 4.37Å; E347-L349 PolarHBondContact O-N 2.96Å; E347-L349 WeakPolarHBondContact OE1-CD2 3.36Å; E347-S432 WeakPolarHBondContact CB-OG 3.39Å; E347-S432 WeakPolarHBondContact OE2-CB 3.43Å; E347-S432 PolarHBondContact OE2-OG 3.26Å; E347-F434 VanDerWaalsContact OE1-CD2 3.31Å; E347-F434 WeakPolarHBondContact OE1-CD2 3.37Å; E347-A435 HydrophobicContact CB-CB 3.96Å; E347-M437 PolarHBondContact N-O 2.89Å; E347-A438 WeakPolarHBondContact O-CA 3.33Å; E347-N439 PolarHBondContact O-N 3.43Å
348V98.7Very high98.5Very high0 Ų025.7 Ų25.70%015%0.154CC..  trans-86.9109.3176.8-179.30000108.5Y332 P334 G335 D336 L338 T351 L357Y332-V348 HydrophobicContact CD2-CG1 3.94Å; Y332-V348 HydrophobicContact CD2-CG2 4Å; Y332-V348 HydrophobicContact CE2-CG1 3.81Å; Y332-V348 HydrophobicContact CE2-CG2 4.22Å; P334-V348 CarbonylContact C-O 3.56Å; P334-V348 VanDerWaalsContact CA-O 3.24Å; P334-V348 WeakPolarHBondContact CA-O 3.42Å; G335-V348 PolarHBondContact N-O 3.36Å; D336-V348 PolarHBondContact O-N 2.82Å; L338-V348 HydrophobicContact CD1-CG2 3.54Å; L338-V348 HydrophobicContact CG-CG2 3.72Å; V348-T351 HydrophobicContact CG1-CG2 3.89Å; V348-L357 HydrophobicContact CG2-CD1 4.31Å
349L98.3Very high98.5Very high77 Ų7724.8 Ų24.840%0.40315%0.149SC..SBendtrans-97.3-24.6174.4-62.5-178.6000112.3E347 A438 N439 I440E347-L349 HydrophobicContact CG-CD2 3.9Å; E347-L349 HydrophobicContact CG-CG 4.37Å; E347-L349 PolarHBondContact O-N 2.96Å; E347-L349 WeakPolarHBondContact OE1-CD2 3.36Å; L349-A438 HydrophobicContact CD1-CB 3.74Å; L349-A438 HydrophobicContact CG-CB 4.23Å; L349-N439 PolarHBondContact N-OD1 2.94Å; L349-I440 HydrophobicContact CB-CD1 3.74Å; L349-I440 HydrophobicContact CB-CG1 3.86Å; L349-I440 HydrophobicContact CD1-CD1 4.46Å; L349-I440 HydrophobicContact CD1-CG1 4.02Å
350N98.3Very high98.5Very high51 Ų5121.7 Ų21.727%0.27313%0.13SC..  trans-147.6121.7178.5-174-10.6000109.8S280 D352 A353 N439 I440S280-N350 WeakPolarHBondContact CB-OD1 3.44Å; S280-N350 PolarHBondContact OG-OD1 2.96Å; N350-D352 PolarHBondContact O-N 2.95Å; N350-D352 WeakPolarHBondContact OD1-CB 3.29Å; N350-D352 PolarHBondContact OD1-N 3.2Å; N350-A353 PolarHBondContact O-N 3.45Å; N350-N439 PolarHBondContact O-ND2 3.22Å; N350-I440 HydrophobicContact CB-CD1 3.86Å; N350-I440 HydrophobicContact CB-CG2 4.34Å
351T98.4Very high98.5Very high0 Ų021.6 Ų21.60%013%0.129CC..THydrogen-bonded Turntrans-76.3-6178.659.60000112.9G277 I279 S280 N325 Y332 P334 V348G277-T351 CarbonylContact O-C 3.53Å; G277-T351 VanDerWaalsContact O-C 3.32Å; G277-T351 PolarHBondContact O-OG1 3.39Å; I279-T351 HydrophobicContact CB-CG2 4.48Å; I279-T351 PolarHBondContact N-OG1 3.18Å; I279-T351 VanDerWaalsContact N-OG1 3.11Å; S280-T351 VanDerWaalsContact CB-OG1 3.3Å; S280-T351 WeakPolarHBondContact CB-OG1 3.34Å; S280-T351 PolarHBondContact N-OG1 3.47Å; S280-T351 PolarHBondContact OG-N 3.17Å; S280-T351 PolarHBondContact OG-OG1 3.42Å; N325-T351 PolarHBondContact ND2-O 3.45Å; Y332-T351 HydrophobicContact CD1-CG2 4.08Å; Y332-T351 HydrophobicContact CD2-CG2 4.07Å; Y332-T351 HydrophobicContact CE1-CG2 3.86Å; Y332-T351 HydrophobicContact CE2-CG2 3.85Å; Y332-T351 HydrophobicContact CG-CG2 4.19Å; Y332-T351 WeakPolarHBondContact O-CG2 3.04Å; Y332-T351 WeakPolarHBondContact OH-CA 3.18Å; Y332-T351 PolarHBondContact OH-O 3.01Å; P334-T351 HydrophobicContact CG-CG2 4.41Å; V348-T351 HydrophobicContact CG1-CG2 3.89Å
352D97.8Very high98.5Very high50 Ų5019.6 Ų19.627%0.26712%0.12SC..THydrogen-bonded Turntrans-84.75.1169.6-158.252.3000113.3G277 K282 N350G277-D352 WeakPolarHBondContact CA-OD1 3.21Å; G277-D352 PolarHBondContact O-N 3Å; K282-D352 WeakPolarHBondContact CE-OD1 3.35Å; K282-D352 WeakPolarHBondContact CG-OD1 3.3Å; K282-D352 IonicContact NZ-OD1 3.77Å; K282-D352 PolarHBondContact NZ-OD1 3.34Å; K282-D352 IonicContact NZ-OD2 2.68Å; K282-D352 PolarHBondContact NZ-OD2 3.21Å; K282-D352 VanDerWaalsContact NZ-OD2 3.11Å; N350-D352 PolarHBondContact O-N 2.95Å; N350-D352 WeakPolarHBondContact OD1-CB 3.29Å; N350-D352 PolarHBondContact OD1-N 3.2Å
353A98.1Very high98.6Very high9 Ų917.3 Ų17.37%0.07410%0.104CC..  trans-112.850.1170.900000109.9N350 N439 I440N350-A353 PolarHBondContact O-N 3.45Å; A353-N439 PolarHBondContact O-ND2 2.79Å; A353-I440 HydrophobicContact CB-CG2 3.31Å
354E98.3Very high98.6Very high5 Ų515.7 Ų15.72%0.0238%0.084CC..  trans-82.5-37.5-172.377.4-53.6123.400113.8V239 K270 L272 N325 Y332 R356 L357 V358V239-E354 HydrophobicContact CG1-CB 3.73Å; V239-E354 HydrophobicContact CG1-CG 4.03Å; V239-E354 HydrophobicContact CG2-CB 3.99Å; K270-E354 WeakPolarHBondContact CE-OE1 3.4Å; K270-E354 IonicContact NZ-OE1 2.72Å; K270-E354 PolarHBondContact NZ-OE1 3Å; L272-E354 HydrophobicContact CD1-CG 3.98Å; L272-E354 HydrophobicContact CG-CG 4.04Å; N325-E354 HydrophobicContact CB-CB 4.41Å; N325-E354 HydrophobicContact CB-CG 3.84Å; Y332-E354 VanDerWaalsContact OH-CB 3.23Å; Y332-E354 WeakPolarHBondContact OH-CB 3.25Å; E354-R356 PolarHBondContact O-N 2.88Å; E354-R356 VanDerWaalsContact O-N 3.14Å; E354-L357 WeakPolarHBondContact O-CA 3.43Å; E354-L357 VanDerWaalsContact O-CB 3.28Å; E354-L357 WeakPolarHBondContact O-CB 3.45Å; E354-L357 PolarHBondContact O-N 3.29Å; E354-V358 PolarHBondContact O-N 3.21Å; E354-V358 VanDerWaalsContact O-N 3.08Å
355G98.4Very high98.6Very high1 Ų114.1 Ų14.11%0.018%0.076CC..Hα-helixtrans-57.9-38.7-171.400000113K270 L357 V358 L359K270-G355 VanDerWaalsContact CE-CA 3.43Å; G355-L357 VanDerWaalsContact C-N 3.33Å; G355-L357 PolarHBondContact O-N 2.96Å; G355-V358 PolarHBondContact O-N 3.45Å; G355-L359 WeakPolarHBondContact O-CB 3.4Å; G355-L359 WeakPolarHBondContact O-CG 3.48Å; G355-L359 PolarHBondContact O-N 3.07Å
356R98.5Very high98.6Very high15 Ų1512.3 Ų12.36%0.0577%0.065CC..Hα-helixtrans-69.2-29.4176.269.8-164.467.9-166.9-1.5113.3E354 L359 C360 L380 N439 A450 F453 L454E354-R356 PolarHBondContact O-N 2.88Å; E354-R356 VanDerWaalsContact O-N 3.14Å; R356-L359 PolarHBondContact O-N 3.46Å; R356-C360 WeakPolarHBondContact O-CB 3.41Å; R356-C360 PolarHBondContact O-N 3.02Å; R356-L380 HydrophobicContact CB-CD1 4.2Å; R356-N439 WeakPolarHBondContact CD-O 3.36Å; R356-N439 PolarHBondContact NH1-O 3.01Å; R356-A450 VanDerWaalsContact CZ-CB 3.43Å; R356-A450 VanDerWaalsContact NH2-CB 3.25Å; R356-F453 HydrophobicContact CB-CD1 3.68Å; R356-F453 HydrophobicContact CB-CE1 3.92Å; R356-F453 HydrophobicContact CB-CG 4.49Å; R356-F453 HydrophobicContact CG-CD1 3.82Å; R356-F453 HydrophobicContact CG-CE1 3.84Å; R356-F453 HydrophobicContact CG-CG 4.35Å; R356-F453 HydrophobicContact CG-CZ 4.38Å; R356-F453 WeakPolarHBondContact O-CE1 3.41Å; R356-L454 HydrophobicContact CB-CD2 3.97Å; R356-L454 HydrophobicContact CB-CG 4.46Å
357L98.8Very high98.6Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-73-32.9176.3-64.4177.4000111.6S235 V239 Y332 L338 V346 V348 E354 G355 C360 N439 F453S235-L357 CarbonylContact C-O 3.59Å; S235-L357 WeakPolarHBondContact CB-O 3.48Å; S235-L357 WeakPolarHBondContact OG-CA 3.27Å; S235-L357 WeakPolarHBondContact OG-CB 3.46Å; S235-L357 PolarHBondContact OG-O 3.29Å; V239-L357 HydrophobicContact CG2-CB 3.87Å; V239-L357 HydrophobicContact CG2-CD1 4.35Å; Y332-L357 HydrophobicContact CE2-CD1 3.7Å; L338-L357 HydrophobicContact CD1-CD1 4.11Å; V346-L357 HydrophobicContact CB-CD2 4.35Å; V346-L357 HydrophobicContact CG1-CD2 3.73Å; V348-L357 HydrophobicContact CG2-CD1 4.31Å; E354-L357 WeakPolarHBondContact O-CA 3.43Å; E354-L357 VanDerWaalsContact O-CB 3.28Å; E354-L357 WeakPolarHBondContact O-CB 3.45Å; E354-L357 PolarHBondContact O-N 3.29Å; G355-L357 VanDerWaalsContact C-N 3.33Å; G355-L357 PolarHBondContact O-N 2.96Å; L357-C360 PolarHBondContact O-SG 2.69Å; L357-N439 HydrophobicContact CD1-CB 4.47Å; L357-N439 HydrophobicContact CD2-CB 3.95Å; L357-N439 HydrophobicContact CG-CB 4.38Å; L357-F453 HydrophobicContact CD2-CZ 3.88Å
358V98.8Very high98.6Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-70.1-49.3169.6176.50000109.8Y236 V239 L272 A321 E354 G355 C360 D361 V362Y236-V358 HydrophobicContact CD1-CG1 4.25Å; Y236-V358 HydrophobicContact CD2-CG1 3.62Å; Y236-V358 HydrophobicContact CE1-CG1 4.12Å; Y236-V358 HydrophobicContact CE2-CG1 3.5Å; Y236-V358 HydrophobicContact CG-CG1 4Å; V239-V358 HydrophobicContact CB-CG2 3.85Å; V239-V358 HydrophobicContact CG1-CG2 3.83Å; V239-V358 HydrophobicContact CG2-CG2 3.9Å; L272-V358 HydrophobicContact CD2-CG2 4.1Å; A321-V358 HydrophobicContact CB-CG1 3.73Å; E354-V358 PolarHBondContact O-N 3.21Å; E354-V358 VanDerWaalsContact O-N 3.08Å; G355-V358 PolarHBondContact O-N 3.45Å; V358-C360 PolarHBondContact O-N 3.36Å; V358-D361 PolarHBondContact O-N 2.91Å; V358-V362 WeakPolarHBondContact O-CG2 3.15Å; V358-V362 PolarHBondContact O-N 2.88Å
359L98.9Very high98.5Very high0 Ų021.8 Ų21.80%010%0.104CC..Hα-helixtrans-67-31.7-174-71.4168.8000113.9V268 K270 G355 R356 D361 V362 L363 A378 L380 L454V268-L359 HydrophobicContact CG1-CD2 3.74Å; K270-L359 HydrophobicContact CB-CD1 4.33Å; K270-L359 HydrophobicContact CB-CD2 4.35Å; K270-L359 HydrophobicContact CB-CG 4.5Å; G355-L359 WeakPolarHBondContact O-CB 3.4Å; G355-L359 WeakPolarHBondContact O-CG 3.48Å; G355-L359 PolarHBondContact O-N 3.07Å; R356-L359 PolarHBondContact O-N 3.46Å; L359-D361 VanDerWaalsContact C-N 3.31Å; L359-D361 PolarHBondContact O-N 2.75Å; L359-V362 PolarHBondContact O-N 3.47Å; L359-L363 HydrophobicContact CB-CD1 4.46Å; L359-L363 VanDerWaalsContact O-CB 3.28Å; L359-L363 WeakPolarHBondContact O-CB 3.37Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.9Å; L359-A378 HydrophobicContact CD1-CB 3.81Å; L359-L380 HydrophobicContact CD1-CD1 4.38Å; L359-L454 HydrophobicContact CB-CD2 3.63Å; L359-L454 HydrophobicContact CD1-CD1 4.23Å; L359-L454 HydrophobicContact CD1-CD2 4.22Å
360C98.8Very high98.5Very high0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-61.2-39.8-179.663.70000112.9S235 R356 L357 V358 T364 F453 F457S235-C360 PolarHBondContact OG-SG 2.71Å; R356-C360 WeakPolarHBondContact O-CB 3.41Å; R356-C360 PolarHBondContact O-N 3.02Å; L357-C360 PolarHBondContact O-SG 2.69Å; V358-C360 PolarHBondContact O-N 3.36Å; C360-T364 WeakPolarHBondContact O-CB 3.38Å; C360-T364 PolarHBondContact O-N 3.12Å; C360-T364 PolarHBondContact O-OG1 2.73Å; C360-F453 HydrophobicContact CB-CE1 3.99Å; C360-F457 HydrophobicContact CB-CB 4.49Å; C360-F457 HydrophobicContact CB-CD1 3.77Å; C360-F457 HydrophobicContact CB-CD2 3.39Å; C360-F457 HydrophobicContact CB-CE1 3.74Å; C360-F457 HydrophobicContact CB-CE2 3.38Å; C360-F457 HydrophobicContact CB-CG 3.6Å; C360-F457 HydrophobicContact CB-CZ 3.56Å
361D98.9Very high98.5Very high0 Ų023.2 Ų23.20%011%0.107CC..Hα-helixtrans-68.6-40.9175.8-75.6-12.3000110.9M233 S235 Y236 T340 M341 V358 L359 T364 Y365M233-D361 WeakPolarHBondContact CA-OD2 3.31Å; M233-D361 HydrophobicContact CB-CB 4.03Å; M233-D361 WeakPolarHBondContact CB-OD2 3.19Å; M233-D361 HydrophobicContact CG-CB 4.04Å; S235-D361 WeakPolarHBondContact CA-OD2 3.38Å; S235-D361 WeakPolarHBondContact CB-OD2 3.31Å; S235-D361 PolarHBondContact N-OD2 2.85Å; S235-D361 VanDerWaalsContact N-OD2 3.1Å; Y236-D361 PolarHBondContact N-OD2 2.84Å; T340-D361 WeakPolarHBondContact CA-OD1 3.47Å; T340-D361 WeakPolarHBondContact CB-OD1 3.31Å; M341-D361 HydrophobicContact CB-CB 4.2Å; M341-D361 WeakPolarHBondContact CB-OD1 3.12Å; M341-D361 PolarHBondContact N-OD1 2.89Å; V358-D361 PolarHBondContact O-N 2.91Å; L359-D361 VanDerWaalsContact C-N 3.31Å; L359-D361 PolarHBondContact O-N 2.75Å; D361-T364 PolarHBondContact O-N 2.96Å; D361-Y365 WeakPolarHBondContact O-CB 3.43Å; D361-Y365 PolarHBondContact O-N 2.86Å
362V98.9Very high98.5Very high0 Ų026.3 Ų26.30%012%0.122CC..Hα-helixtrans-67.9-42.5178.8-175.20000111.6Y236 M249 V268 V319 A321 V358 L359 T364 Y365 V366Y236-V362 HydrophobicContact CD2-CG2 3.85Å; Y236-V362 HydrophobicContact CE2-CG2 3.75Å; M249-V362 HydrophobicContact SD-CB 4.43Å; M249-V362 HydrophobicContact SD-CG1 3.99Å; M249-V362 HydrophobicContact SD-CG2 3.82Å; V268-V362 HydrophobicContact CG1-CB 4.19Å; V268-V362 HydrophobicContact CG1-CG1 3.48Å; V268-V362 VanDerWaalsContact CG1-CG1 3.48Å; V268-V362 HydrophobicContact CG2-CG1 4.23Å; V319-V362 HydrophobicContact CB-CG1 4.29Å; V319-V362 HydrophobicContact CG1-CG1 3.62Å; A321-V362 HydrophobicContact CB-CG2 3.91Å; V358-V362 WeakPolarHBondContact O-CG2 3.15Å; V358-V362 PolarHBondContact O-N 2.88Å; L359-V362 PolarHBondContact O-N 3.47Å; V362-T364 VanDerWaalsContact C-N 3.28Å; V362-T364 PolarHBondContact O-N 3.37Å; V362-Y365 WeakPolarHBondContact O-CB 3.32Å; V362-Y365 PolarHBondContact O-N 3.4Å; V362-Y365 VanDerWaalsContact O-N 3.12Å; V362-V366 HydrophobicContact CG1-CG1 4.43Å; V362-V366 WeakPolarHBondContact O-CG1 3.39Å; V362-V366 PolarHBondContact O-N 3.38Å
363L98.9Very high98.5Very high0 Ų024 Ų240%011%0.11CC..Hα-helixtrans-62.7-36.9175.4-73.4170.9000111.4L359 V366 V374 D376 L454 F457 T458 Y461L359-L363 HydrophobicContact CB-CD1 4.46Å; L359-L363 VanDerWaalsContact O-CB 3.28Å; L359-L363 WeakPolarHBondContact O-CB 3.37Å; L359-L363 WeakPolarHBondContact O-CG 3.35Å; L359-L363 PolarHBondContact O-N 2.9Å; L363-V366 WeakPolarHBondContact O-CG2 3.41Å; L363-V374 HydrophobicContact CD2-CG1 3.97Å; L363-D376 HydrophobicContact CD2-CB 4.22Å; L363-L454 HydrophobicContact CD1-CB 4.11Å; L363-L454 HydrophobicContact CD1-CD2 3.91Å; L363-L454 HydrophobicContact CD1-CG 4.49Å; L363-F457 HydrophobicContact CB-CB 4.19Å; L363-T458 HydrophobicContact CB-CG2 4.08Å; L363-T458 HydrophobicContact CD1-CG2 3.76Å; L363-T458 HydrophobicContact CD2-CG2 3.95Å; L363-T458 HydrophobicContact CG-CG2 4.14Å; L363-Y461 VanDerWaalsContact C-OH 3.27Å; L363-Y461 WeakPolarHBondContact CA-OH 3.16Å; L363-Y461 WeakPolarHBondContact CB-OH 3.44Å; L363-Y461 PolarHBondContact O-OH 3.39Å
364T98.9Very high98.6Very high17 Ų1723.6 Ų23.610%0.10411%0.106CC..Hα-helixtrans-67.1-42.9171.6-54.60000111M341 C360 D361 V362 V366 E367M341-T364 HydrophobicContact CB-CG2 4.15Å; M341-T364 HydrophobicContact CE-CG2 4.47Å; M341-T364 HydrophobicContact CG-CG2 3.81Å; M341-T364 HydrophobicContact SD-CG2 4.13Å; C360-T364 WeakPolarHBondContact O-CB 3.38Å; C360-T364 PolarHBondContact O-N 3.12Å; C360-T364 PolarHBondContact O-OG1 2.73Å; D361-T364 PolarHBondContact O-N 2.96Å; V362-T364 VanDerWaalsContact C-N 3.28Å; V362-T364 PolarHBondContact O-N 3.37Å; T364-V366 PolarHBondContact O-N 3.46Å; T364-E367 VanDerWaalsContact O-CB 3.31Å; T364-E367 WeakPolarHBondContact O-CB 3.34Å; T364-E367 PolarHBondContact O-N 2.93Å
365Y98.8Very high98.6Very high12 Ų1223.3 Ų23.35%0.04711%0.105CC..Hα-helixtrans-60.1-44.6-178.6174.2-92000113.4I223 L231 M233 M249 V251 M341 D361 V362 E367 R368 F369I223-Y365 HydrophobicContact CD1-CE1 4.39Å; I223-Y365 HydrophobicContact CD1-CE2 3.93Å; I223-Y365 VanDerWaalsContact CD1-OH 3.31Å; I223-Y365 WeakPolarHBondContact CD1-OH 3.4Å; L231-Y365 HydrophobicContact CD1-CD2 3.95Å; L231-Y365 HydrophobicContact CD1-CE2 3.77Å; L231-Y365 HydrophobicContact CD2-CE2 4.5Å; M233-Y365 HydrophobicContact CE-CD2 3.41Å; M233-Y365 VanDerWaalsContact CE-CD2 3.41Å; M233-Y365 HydrophobicContact CE-CE2 4.39Å; M233-Y365 HydrophobicContact CE-CG 3.59Å; M249-Y365 HydrophobicContact CE-CD1 3.73Å; M249-Y365 HydrophobicContact CE-CD2 4.06Å; M249-Y365 HydrophobicContact CE-CE1 3.71Å; M249-Y365 HydrophobicContact CE-CE2 4.01Å; M249-Y365 HydrophobicContact CE-CG 3.93Å; M249-Y365 HydrophobicContact SD-CD1 4.49Å; V251-Y365 HydrophobicContact CG2-CE1 4Å; M341-Y365 HydrophobicContact CE-CD2 4.3Å; D361-Y365 WeakPolarHBondContact O-CB 3.43Å; D361-Y365 PolarHBondContact O-N 2.86Å; V362-Y365 WeakPolarHBondContact O-CB 3.32Å; V362-Y365 PolarHBondContact O-N 3.4Å; V362-Y365 VanDerWaalsContact O-N 3.12Å; Y365-E367 PolarHBondContact O-N 2.96Å; Y365-R368 VanDerWaalsContact CD2-NH2 3.31Å; Y365-R368 WeakPolarHBondContact O-CD 3.34Å; Y365-R368 WeakPolarHBondContact O-CG 3.35Å; Y365-R368 PolarHBondContact O-N 3.23Å; Y365-R368 PolarHBondContact O-NE 2.85Å; Y365-F369 HydrophobicContact CD1-CE2 4.15Å; Y365-F369 AromaticContact CE1-CE2 3.64Å; Y365-F369 HydrophobicContact CE1-CE2 3.64Å; Y365-F369 AromaticContact CE1-CZ 3.79Å; Y365-F369 HydrophobicContact CE1-CZ 3.79Å
366V98.7Very high98.6Very high0 Ų023.3 Ų23.30%010%0.104CC..Hα-helixtrans-70.4-12.7-173.5-63.90000114.2V266 V268 V319 V362 L363 T364 R368 F369 V374 Y461V266-V366 HydrophobicContact CG1-CB 3.98Å; V266-V366 HydrophobicContact CG1-CG1 3.79Å; V266-V366 HydrophobicContact CG1-CG2 4.44Å; V268-V366 HydrophobicContact CG2-CG1 4.05Å; V268-V366 HydrophobicContact CG2-CG2 4.47Å; V319-V366 HydrophobicContact CG2-CG1 3.81Å; V362-V366 HydrophobicContact CG1-CG1 4.43Å; V362-V366 WeakPolarHBondContact O-CG1 3.39Å; V362-V366 PolarHBondContact O-N 3.38Å; L363-V366 WeakPolarHBondContact O-CG2 3.41Å; T364-V366 PolarHBondContact O-N 3.46Å; V366-R368 PolarHBondContact O-N 3.37Å; V366-R368 VanDerWaalsContact O-N 3.16Å; V366-F369 HydrophobicContact CB-CD2 4.1Å; V366-F369 HydrophobicContact CB-CE2 4.48Å; V366-F369 HydrophobicContact CG1-CD2 4.35Å; V366-F369 HydrophobicContact CG1-CE2 4.3Å; V366-F369 WeakPolarHBondContact O-CD2 3.41Å; V366-F369 PolarHBondContact O-N 3.01Å; V366-F369 VanDerWaalsContact O-N 3.11Å; V366-V374 HydrophobicContact CG2-CG1 4.15Å; V366-V374 HydrophobicContact CG2-CG2 4.3Å; V366-Y461 HydrophobicContact CG2-CE1 4.47Å
367E98.3Very high98.6Very high67 Ų6722.6 Ų22.631%0.31310%0.102SC..G310 helixtrans-51.5-36.6172.1-173-166.5146.300112T364 Y365 F369 E370 K460 Y461T364-E367 VanDerWaalsContact O-CB 3.31Å; T364-E367 WeakPolarHBondContact O-CB 3.34Å; T364-E367 PolarHBondContact O-N 2.93Å; Y365-E367 PolarHBondContact O-N 2.96Å; E367-F369 PolarHBondContact O-N 3.2Å; E367-E370 PolarHBondContact O-N 3.49Å; E367-K460 HydrophobicContact CG-CB 4.4Å; E367-K460 HydrophobicContact CG-CD 4.06Å; E367-K460 WeakPolarHBondContact OE1-CD 3.4Å; E367-K460 WeakPolarHBondContact OE1-CE 3.04Å; E367-K460 IonicContact OE1-NZ 3.39Å; E367-K460 PolarHBondContact OE1-NZ 3.19Å; E367-K460 WeakPolarHBondContact OE2-CD 3.47Å; E367-K460 IonicContact OE2-NZ 3.39Å; E367-K460 PolarHBondContact OE2-NZ 3.09Å; E367-Y461 HydrophobicContact CB-CD1 4.46Å; E367-Y461 HydrophobicContact CB-CE1 4.17Å
368R98.1Very high98.6Very high120 Ų12022.6 Ų22.645%0.45310%0.102SC..G310 helixtrans-59.7-17.5-178.775.8-173.556.6-151.2-13.3114.9M341 Y365 V366 E370M341-R368 VanDerWaalsContact CE-NH2 3.31Å; Y365-R368 VanDerWaalsContact CD2-NH2 3.31Å; Y365-R368 WeakPolarHBondContact O-CD 3.34Å; Y365-R368 WeakPolarHBondContact O-CG 3.35Å; Y365-R368 PolarHBondContact O-N 3.23Å; Y365-R368 PolarHBondContact O-NE 2.85Å; V366-R368 PolarHBondContact O-N 3.37Å; V366-R368 VanDerWaalsContact O-N 3.16Å; R368-E370 VanDerWaalsContact C-N 3.28Å
369F97.7Very high98.6Very high34 Ų3422.8 Ų22.815%0.14910%0.103CC..G310 helixtrans-892.3179.4-58.4-62.6000112.6V251 P264 V266 I317 Y365 V366 E367V251-F369 HydrophobicContact CG1-CE2 4.41Å; V251-F369 HydrophobicContact CG1-CZ 3.95Å; P264-F369 WeakPolarHBondContact CD-O 3.49Å; P264-F369 HydrophobicContact CG-CB 4.17Å; V266-F369 HydrophobicContact CG2-CB 4.49Å; I317-F369 HydrophobicContact CD1-CB 3.82Å; I317-F369 HydrophobicContact CD1-CD1 3.65Å; I317-F369 HydrophobicContact CD1-CD2 4.03Å; I317-F369 HydrophobicContact CD1-CE1 4.18Å; I317-F369 HydrophobicContact CD1-CG 3.56Å; I317-F369 HydrophobicContact CG2-CE2 4.44Å; Y365-F369 HydrophobicContact CD1-CE2 4.15Å; Y365-F369 AromaticContact CE1-CE2 3.64Å; Y365-F369 HydrophobicContact CE1-CE2 3.64Å; Y365-F369 AromaticContact CE1-CZ 3.79Å; Y365-F369 HydrophobicContact CE1-CZ 3.79Å; V366-F369 HydrophobicContact CB-CD2 4.1Å; V366-F369 HydrophobicContact CB-CE2 4.48Å; V366-F369 HydrophobicContact CG1-CD2 4.35Å; V366-F369 HydrophobicContact CG1-CE2 4.3Å; V366-F369 WeakPolarHBondContact O-CD2 3.41Å; V366-F369 PolarHBondContact O-N 3.01Å; V366-F369 VanDerWaalsContact O-N 3.11Å; E367-F369 PolarHBondContact O-N 3.2Å
370E97.7Very high98.6Very high148 Ų14823.6 Ų23.669%0.69211%0.107SC*.  trans46.755.3-177.1-59.9-175.8176.800112.1R263 E367 R368R263-E370 WeakPolarHBondContact CB-O 3.41Å; R263-E370 WeakPolarHBondContact CD-O 3.13Å; R263-E370 WeakPolarHBondContact CG-O 3.49Å; E367-E370 PolarHBondContact O-N 3.49Å; R368-E370 VanDerWaalsContact C-N 3.28Å
371P98.4Very high98.5Very high10 Ų1024 Ų247%0.06511%0.11CC..  trans-66.3146-168.728-35.8000112.4P264 V266 V374 Y461P264-P371 WeakPolarHBondContact O-CA 3.32Å; V266-P371 HydrophobicContact CB-CB 4.4Å; V266-P371 HydrophobicContact CG2-CB 3.67Å; P371-V374 HydrophobicContact CB-CG2 3.71Å; P371-V374 HydrophobicContact CG-CG2 3.42Å; P371-V374 VanDerWaalsContact CG-CG2 3.42Å; P371-Y461 HydrophobicContact CG-CD1 4.07Å; P371-Y461 HydrophobicContact CG-CG 4Å
372E98.1Very high98.4Very high65 Ų6526.6 Ų26.630%0.30414%0.137SC..SBendtrans-67.6-42.3167.3-175-175.6174.100111R263 P264 N462 R496R263-E372 HydrophobicContact CB-CB 4.1Å; P264-E372 PolarHBondContact O-N 3.42Å; E372-N462 PolarHBondContact O-ND2 2.92Å; E372-R496 IonicContact OE1-CZ 3.52Å; E372-R496 IonicContact OE1-NH1 3.46Å; E372-R496 PolarHBondContact OE1-NH1 3.3Å; E372-R496 IonicContact OE2-NH1 3.72Å
373A98.7Very high98.4Very high1 Ų128.2 Ų28.21%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-152.4148.3175.900000110.1V266 L402 N462V266-A373 PolarHBondContact N-O 2.85Å; A373-L402 HydrophobicContact CB-CD1 4.13Å; A373-L402 HydrophobicContact CB-CD2 4.15Å; A373-N462 CarbonylContact C-O 3.58Å; A373-N462 WeakPolarHBondContact CA-O 3.48Å
374V98.9Very high98.3Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-119128173.7-176.50000109V266 V268 L363 V366 P371 Y461 N462 W463 A464V266-V374 HydrophobicContact CB-CG1 4.49Å; V266-V374 HydrophobicContact CB-CG2 4.2Å; V266-V374 CarbonylContact O-C 3.54Å; V266-V374 VanDerWaalsContact O-CA 3.3Å; V266-V374 WeakPolarHBondContact O-CA 3.24Å; V268-V374 HydrophobicContact CG2-CG1 4.21Å; L363-V374 HydrophobicContact CD2-CG1 3.97Å; V366-V374 HydrophobicContact CG2-CG1 4.15Å; V366-V374 HydrophobicContact CG2-CG2 4.3Å; P371-V374 HydrophobicContact CB-CG2 3.71Å; P371-V374 HydrophobicContact CG-CG2 3.42Å; P371-V374 VanDerWaalsContact CG-CG2 3.42Å; V374-Y461 HydrophobicContact CB-CD2 3.72Å; V374-Y461 HydrophobicContact CB-CE2 3.51Å; V374-Y461 HydrophobicContact CG1-CE2 4.01Å; V374-Y461 HydrophobicContact CG2-CD1 4.3Å; V374-Y461 HydrophobicContact CG2-CD2 3.34Å; V374-Y461 HydrophobicContact CG2-CE1 4.33Å; V374-Y461 HydrophobicContact CG2-CE2 3.38Å; V374-Y461 HydrophobicContact CG2-CG 3.83Å; V374-N462 PolarHBondContact N-O 3.36Å; V374-W463 CarbonylContact O-C 3.57Å; V374-W463 VanDerWaalsContact O-CA 3.27Å; V374-W463 WeakPolarHBondContact O-CA 3.33Å; V374-A464 PolarHBondContact O-N 2.67Å
375I99Very high98.3Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-123.3114.1174.4-56.1156.1000108.2V266 L267 V268 L402 L406 A464 L466 L489 F492V266-I375 PolarHBondContact O-N 3.3Å; L267-I375 CarbonylContact C-O 3.51Å; L267-I375 VanDerWaalsContact CA-O 3.3Å; L267-I375 WeakPolarHBondContact CA-O 3.3Å; L267-I375 HydrophobicContact CD2-CB 3.9Å; L267-I375 HydrophobicContact CD2-CD1 3.98Å; L267-I375 HydrophobicContact CD2-CG1 4.45Å; V268-I375 PolarHBondContact N-O 3.09Å; I375-L402 HydrophobicContact CD1-CD1 4.4Å; I375-L402 HydrophobicContact CG1-CD1 4.41Å; I375-L406 HydrophobicContact CD1-CD1 4.49Å; I375-L406 HydrophobicContact CD1-CD2 3.89Å; I375-L406 HydrophobicContact CG1-CD1 4.36Å; I375-A464 CarbonylContact C-O 3.59Å; I375-A464 VanDerWaalsContact CA-O 3.26Å; I375-A464 WeakPolarHBondContact CA-O 3.49Å; I375-A464 HydrophobicContact CG1-CB 4.47Å; I375-L466 HydrophobicContact CG2-CD1 4.01Å; I375-L466 HydrophobicContact CG2-CG 4.22Å; I375-L489 HydrophobicContact CD1-CD2 4.23Å; I375-L489 HydrophobicContact CG2-CD2 3.91Å; I375-F492 HydrophobicContact CD1-CD1 3.8Å; I375-F492 HydrophobicContact CD1-CE1 3.4Å; I375-F492 VanDerWaalsContact CD1-CE1 3.4Å; I375-F492 HydrophobicContact CD1-CZ 3.86Å
376D98.9Very high98.2Very high0 Ų035.7 Ų35.70%019%0.19CC..EExtended strand (participates in β ladder)trans-97.3147.6171.88590.2000112.2V268 L363 W463 A464 H465 L466V268-D376 HydrophobicContact CB-CB 3.81Å; V268-D376 HydrophobicContact CG1-CB 4.28Å; V268-D376 CarbonylContact O-C 3.11Å; V268-D376 WeakPolarHBondContact O-CA 3.26Å; L363-D376 HydrophobicContact CD2-CB 4.22Å; D376-W463 WeakPolarHBondContact OD2-CZ2 3.49Å; D376-W463 PolarHBondContact OD2-NE1 3.4Å; D376-A464 PolarHBondContact N-O 3.39Å; D376-H465 IonicContact OD1-CE1 3.71Å; D376-H465 IonicContact OD1-CG 2.8Å; D376-H465 IonicContact OD1-ND1 3.09Å; D376-H465 PolarHBondContact OD1-ND1 2.8Å; D376-H465 WeakPolarHBondContact OD2-CB 3.48Å; D376-H465 IonicContact OD2-CG 2.99Å; D376-H465 IonicContact OD2-ND1 3.89Å; D376-L466 PolarHBondContact O-N 3.34Å
377V99Very high98.2Very high0 Ų038.9 Ų38.90%022%0.216CC..EExtended strand (participates in β ladder)trans-130.4122.1-174.1-169.90000108.1V268 G269 K270 G296 A299 V300 L466 I468 P485 L489V268-V377 PolarHBondContact O-N 2.7Å; G269-V377 WeakPolarHBondContact CA-O 3.27Å; K270-V377 PolarHBondContact N-O 3.12Å; G296-V377 VanDerWaalsContact CA-O 3.27Å; G296-V377 WeakPolarHBondContact CA-O 3.24Å; A299-V377 HydrophobicContact CB-CG1 4.46Å; V300-V377 HydrophobicContact CG2-CG2 4.24Å; V377-L466 HydrophobicContact CG2-CD1 4.41Å; V377-I468 HydrophobicContact CG1-CD1 3.69Å; V377-I468 HydrophobicContact CG1-CG1 4.05Å; V377-I468 HydrophobicContact CG1-CG2 3.92Å; V377-P485 HydrophobicContact CG1-CG 3.76Å; V377-L489 HydrophobicContact CG2-CD1 3.69Å
378A98.9Very high98.2Very high0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-149.9143.3-178.500000113.2K270 L359 L380 L466 D467 I468K270-A378 HydrophobicContact CB-CB 3.46Å; K270-A378 VanDerWaalsContact CB-CB 3.46Å; K270-A378 HydrophobicContact CD-CB 3.88Å; K270-A378 HydrophobicContact CG-CB 4.23Å; L359-A378 HydrophobicContact CD1-CB 3.81Å; A378-L380 HydrophobicContact CB-CB 4Å; A378-L380 HydrophobicContact CB-CD1 4.41Å; A378-L380 PolarHBondContact O-N 3.42Å; A378-L466 PolarHBondContact N-O 3.25Å; A378-D467 WeakPolarHBondContact O-CA 3.41Å; A378-I468 VanDerWaalsContact C-CG1 3.49Å; A378-I468 WeakPolarHBondContact O-CG1 3.42Å; A378-I468 PolarHBondContact O-N 3.22Å
379T98.5Very high98.2Very high4 Ų432.6 Ų32.63%0.02520%0.199CC..  trans-73.67715844.20000107.5K270 D293 C295 I468 A472 W473K270-T379 PolarHBondContact NZ-O 3.08Å; D293-T379 VanDerWaalsContact CA-OG1 3.29Å; D293-T379 WeakPolarHBondContact CA-OG1 3.44Å; D293-T379 PolarHBondContact O-OG1 3.19Å; D293-T379 WeakPolarHBondContact OD1-CB 3.46Å; D293-T379 PolarHBondContact OD1-OG1 3.45Å; C295-T379 HydrophobicContact CB-CG2 4.06Å; T379-I468 HydrophobicContact CG2-CD1 4.27Å; T379-I468 HydrophobicContact CG2-CG1 4.02Å; T379-A472 HydrophobicContact CG2-CB 3.52Å; T379-W473 HydrophobicContact CG2-CE3 4.46Å; T379-W473 HydrophobicContact CG2-CZ3 4.01Å
380L98.2Very high98.2Very high17 Ų1736 Ų369%0.08922%0.215CC..  trans-94.1-45.5-163.1-166.362.8000113.2R356 L359 A378 A450 L454 H465 D467R356-L380 HydrophobicContact CB-CD1 4.2Å; L359-L380 HydrophobicContact CD1-CD1 4.38Å; A378-L380 HydrophobicContact CB-CB 4Å; A378-L380 HydrophobicContact CB-CD1 4.41Å; A378-L380 PolarHBondContact O-N 3.42Å; L380-A450 HydrophobicContact CD2-CB 3.72Å; L380-A450 HydrophobicContact CG-CB 4.27Å; L380-L454 HydrophobicContact CD2-CD1 3.74Å; L380-H465 WeakPolarHBondContact CD2-NE2 3.48Å; L380-D467 PolarHBondContact N-OD1 3.05Å
381T97.5Very high98.1Very high9 Ų935.4 Ų35.46%0.05521%0.212CC..  trans-136.6131.4-171.1740000114.2A383 C384 A450 D467 A469T381-A383 PolarHBondContact O-N 2.8Å; T381-C384 PolarHBondContact O-N 3.23Å; T381-C384 VanDerWaalsContact O-N 3.17Å; T381-C384 VanDerWaalsContact OG1-CB 3.27Å; T381-C384 WeakPolarHBondContact OG1-CB 3.3Å; T381-C384 PolarHBondContact OG1-N 3.26Å; T381-A450 HydrophobicContact CG2-CB 3.47Å; T381-A450 VanDerWaalsContact CG2-CB 3.47Å; T381-D467 WeakPolarHBondContact CB-OD2 3.35Å; T381-D467 PolarHBondContact N-OD1 3.3Å; T381-D467 PolarHBondContact N-OD2 3.37Å; T381-D467 VanDerWaalsContact N-OD2 3.11Å; T381-D467 PolarHBondContact OG1-OD2 2.75Å; T381-A469 VanDerWaalsContact O-CB 3.31Å; T381-A469 WeakPolarHBondContact O-CB 3.23Å
382G96.4Very high98.1Very high55 Ų5536.4 Ų36.457%0.56722%0.216SC*.Hα-helixtrans-58.5-28.216300000112.2C384 V385 I386G382-C384 VanDerWaalsContact C-N 3.33Å; G382-C384 PolarHBondContact O-N 2.8Å; G382-V385 VanDerWaalsContact O-CB 3.31Å; G382-V385 WeakPolarHBondContact O-CB 3.38Å; G382-V385 PolarHBondContact O-N 3.18Å; G382-V385 VanDerWaalsContact O-N 3.14Å; G382-I386 WeakPolarHBondContact O-CG1 3.42Å; G382-I386 PolarHBondContact O-N 3.32Å
383A97.9Very high98.1Very high33 Ų3333.3 Ų33.327%0.27320%0.202SC..Hα-helixtrans-61.6-37.4175.300000112.8T381 V385 I386 A387 A447T381-A383 PolarHBondContact O-N 2.8Å; A383-V385 VanDerWaalsContact C-N 3.32Å; A383-I386 PolarHBondContact O-N 2.87Å; A383-A387 WeakPolarHBondContact O-CB 3.32Å; A383-A387 PolarHBondContact O-N 2.82Å; A383-A447 HydrophobicContact CB-CB 4.12Å
384C98.4Very high98.1Very high2 Ų233.2 Ų33.21%0.01420%0.202CC..Hα-helixtrans-67.7-34.6175-170.50000111.6T381 G382 A387 L388 A447 D467T381-C384 PolarHBondContact O-N 3.23Å; T381-C384 VanDerWaalsContact O-N 3.17Å; T381-C384 VanDerWaalsContact OG1-CB 3.27Å; T381-C384 WeakPolarHBondContact OG1-CB 3.3Å; T381-C384 PolarHBondContact OG1-N 3.26Å; G382-C384 VanDerWaalsContact C-N 3.33Å; G382-C384 PolarHBondContact O-N 2.8Å; C384-A387 PolarHBondContact O-N 2.79Å; C384-L388 PolarHBondContact O-N 2.9Å; C384-A447 HydrophobicContact CB-CB 3.99Å; C384-D467 HydrophobicContact CB-CB 4.11Å; C384-D467 VanDerWaalsContact CB-CG 3.47Å; C384-D467 WeakPolarHBondContact CB-OD2 3.46Å
385V97.9Very high98.1Very high32 Ų3233.2 Ų33.219%0.19420%0.202CC..Hα-helixtrans-61.4-45.8172.6-169.90000110.6G382 A383 A387 G389 A469G382-V385 VanDerWaalsContact O-CB 3.31Å; G382-V385 WeakPolarHBondContact O-CB 3.38Å; G382-V385 PolarHBondContact O-N 3.18Å; G382-V385 VanDerWaalsContact O-N 3.14Å; A383-V385 VanDerWaalsContact C-N 3.32Å; V385-A387 VanDerWaalsContact C-N 3.33Å; V385-A387 PolarHBondContact O-N 2.99Å; V385-G389 WeakPolarHBondContact O-CA 3.4Å; V385-G389 PolarHBondContact O-N 2.87Å; V385-A469 HydrophobicContact CG2-CB 3.8Å
386I98.1Very high98.1Very high153 Ų15333.2 Ų33.279%0.78520%0.202SC*.Hα-helixtrans-64-38.9177.9-61.5-56.8000111.5G382 A383G382-I386 WeakPolarHBondContact O-CG1 3.42Å; G382-I386 PolarHBondContact O-N 3.32Å; A383-I386 PolarHBondContact O-N 2.87Å
387A97.9Very high98.1Very high67 Ų6733.5 Ų33.555%0.55420%0.204SC*.Hα-helixtrans-74.6-42.2-177.400000113.9A383 C384 V385A383-A387 WeakPolarHBondContact O-CB 3.32Å; A383-A387 PolarHBondContact O-N 2.82Å; C384-A387 PolarHBondContact O-N 2.79Å; V385-A387 VanDerWaalsContact C-N 3.33Å; V385-A387 PolarHBondContact O-N 2.99Å
388L98.3Very high98.1Very high31 Ų3136.8 Ų36.816%0.16222%0.221CC..Hα-helixtrans-118.2-2.7-169-59.4-178.4000114.2C384 I392 W418C384-L388 PolarHBondContact O-N 2.9Å; L388-I392 HydrophobicContact CB-CB 4.39Å; L388-I392 WeakPolarHBondContact CB-O 3.33Å; L388-W418 HydrophobicContact CD1-CB 4.34Å; L388-W418 HydrophobicContact CD2-CB 4.4Å
389G97.7Very high98Very high24 Ų2439.6 Ų39.625%0.24723%0.234CC..THydrogen-bonded Turntrans60.4-154.8-176.900000112.7V385 H391V385-G389 WeakPolarHBondContact O-CA 3.4Å; V385-G389 PolarHBondContact O-N 2.87Å; G389-H391 VanDerWaalsContact C-N 3.25Å; G389-H391 PolarHBondContact O-N 2.84Å
390H97.3Very high98Very high104 Ų10443.9 Ų43.948%0.48126%0.257SS..THydrogen-bonded Turntrans-91.221-179.8-60.2-71.7000114G470H390-G470 WeakPolarHBondContact CA-O 3.43Å; H390-G470 WeakPolarHBondContact CB-O 2.99Å; H390-G470 PolarHBondContact ND1-O 2.78Å
391H96.5Very high98Very high137 Ų13746 Ų4663%0.63427%0.272SS*.THydrogen-bonded Turntrans-111.3-45.9-167.6-58.3-52.2000112.3G389 R484G389-H391 VanDerWaalsContact C-N 3.25Å; G389-H391 PolarHBondContact O-N 2.84Å; H391-R484 PolarHBondContact O-NH1 2.81Å; H391-R484 VanDerWaalsContact O-NH1 3.11Å; H391-R484 PolarHBondContact O-NH2 3.16Å; H391-R484 VanDerWaalsContact O-NH2 3.1Å
392I98.3Very high98.1Very high30 Ų3045.6 Ų45.615%0.15427%0.269CS..  trans-125.2133.5-168.7-49.7177.1000110.1L388 R416 W418L388-I392 HydrophobicContact CB-CB 4.39Å; L388-I392 WeakPolarHBondContact CB-O 3.33Å; I392-R416 VanDerWaalsContact CG1-NH2 3.33Å; I392-R416 HydrophobicContact CG2-CB 4.35Å; I392-W418 HydrophobicContact CG2-CB 3.64Å
393T98.8Very high98.2Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-75138173.9-66.60000110.2R416 A417 W418 L466 D467 I468 T471T393-R416 PolarHBondContact N-O 2.94Å; T393-A417 CarbonylContact O-C 3.42Å; T393-A417 WeakPolarHBondContact O-CA 3.45Å; T393-W418 PolarHBondContact O-N 3.5Å; T393-L466 HydrophobicContact CG2-CB 3.92Å; T393-L466 HydrophobicContact CG2-CD2 3.96Å; T393-L466 HydrophobicContact CG2-CG 4.48Å; T393-D467 WeakPolarHBondContact CG2-O 3.29Å; T393-I468 HydrophobicContact CG2-CG2 3.54Å; T393-T471 PolarHBondContact OG1-OG1 3.07Å
394G98.8Very high98.2Very high0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-76130.6173.100000110.8L466 D467G394-L466 CarbonylContact O-C 3.51Å; G394-L466 WeakPolarHBondContact O-CA 3.47Å; G394-D467 PolarHBondContact N-O 3.27Å; G394-D467 PolarHBondContact O-N 3.25Å
395L98.9Very high98.2Very high0 Ų050 Ų500%027%0.269CS..EExtended strand (participates in β ladder)trans-116.4128.7176.6168.765000110A403 L406 I407 A417 W418 R419 L420 A464 H465 L466L395-A403 HydrophobicContact CD2-CB 4.46Å; L395-L406 HydrophobicContact CD1-CD1 3.8Å; L395-L406 HydrophobicContact CD2-CB 4.14Å; L395-I407 HydrophobicContact CD2-CD1 3.77Å; L395-I407 HydrophobicContact CD2-CG1 3.8Å; L395-A417 HydrophobicContact CB-CB 4.27Å; L395-W418 PolarHBondContact N-O 3.47Å; L395-R419 CarbonylContact O-C 3.29Å; L395-R419 VanDerWaalsContact O-CA 3.27Å; L395-R419 WeakPolarHBondContact O-CA 3.43Å; L395-L420 PolarHBondContact O-N 3.42Å; L395-A464 HydrophobicContact CD1-CB 3.93Å; L395-H465 WeakPolarHBondContact CA-O 3.14Å; L395-L466 HydrophobicContact CB-CD2 4.16Å; L395-L466 HydrophobicContact CD1-CD2 3.77Å
396M98.7Very high98.3Very high0 Ų048.4 Ų48.40%026%0.26CS..EExtended strand (participates in β ladder)trans-128.5143.4169.7-77.3162.8-82.900108.4L420 L422 A447 A464 H465M396-L420 HydrophobicContact CE-CD1 4.18Å; M396-L420 HydrophobicContact CG-CB 3.81Å; M396-L420 HydrophobicContact SD-CB 4.34Å; M396-L422 HydrophobicContact CB-CD1 3.93Å; M396-L422 HydrophobicContact CB-CD2 4Å; M396-L422 HydrophobicContact CB-CG 3.85Å; M396-L422 HydrophobicContact CG-CD2 4.1Å; M396-L422 HydrophobicContact CG-CG 4.1Å; M396-L422 HydrophobicContact SD-CD2 4.09Å; M396-A447 WeakPolarHBondContact CE-O 3.42Å; M396-A464 CarbonylContact O-C 3.56Å; M396-A464 VanDerWaalsContact O-CA 3.24Å; M396-A464 WeakPolarHBondContact O-CA 3.32Å; M396-H465 PolarHBondContact N-O 2.71Å; M396-H465 PolarHBondContact O-N 3.19Å
397A98.5Very high98.3Very high5 Ų543 Ų434%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-156141.4-176.600000112.1H399 A403 R419 W463 A464A397-H399 VanDerWaalsContact C-N 3.29Å; A397-A403 HydrophobicContact CB-CB 3.86Å; A397-R419 PolarHBondContact O-NH2 2.88Å; A397-W463 VanDerWaalsContact CA-O 3.24Å; A397-W463 WeakPolarHBondContact CA-O 3.33Å; A397-W463 WeakPolarHBondContact CB-O 3.39Å; A397-A464 HydrophobicContact CB-CB 3.92Å
398N97.8Very high98.3Very high69 Ų6941.6 Ų41.637%0.36922%0.22SC..SBendtrans-83-6.9174.372.61.2000112.7T458 Y461 W463N398-T458 PolarHBondContact ND2-O 3.38Å; N398-Y461 PolarHBondContact ND2-O 3.49Å; N398-W463 HydrophobicContact CB-CE3 4.33Å; N398-W463 PolarHBondContact N-O 2.64Å; N398-W463 PolarHBondContact OD1-N 3.15Å; N398-W463 PolarHBondContact OD1-O 3.12Å
399H98.2Very high98.3Very high60 Ų6040.1 Ų40.128%0.27821%0.212SC..  trans-131.3116-175.4-17258.6000111.4A397 P401 L402 A403 N462A397-H399 VanDerWaalsContact C-N 3.29Å; H399-P401 WeakPolarHBondContact NE2-CG 3.25Å; H399-L402 HydrophobicContact CB-CB 4.28Å; H399-L402 PolarHBondContact O-N 2.95Å; H399-A403 PolarHBondContact O-N 2.98Å; H399-A403 VanDerWaalsContact O-N 3.11Å; H399-N462 HydrophobicContact CB-CB 4.01Å; H399-N462 VanDerWaalsContact CG-OD1 3.28Å; H399-N462 PolarHBondContact ND1-OD1 3.35Å
400N98.1Very high98.3Very high93 Ų9339 Ų3950%0.49720%0.201SC..Hα-helixtrans-61.1-46.8-174.9-75.3-22.4000114.3L402 A403 H404 R419N400-L402 PolarHBondContact O-N 3.5Å; N400-A403 WeakPolarHBondContact O-CB 3.31Å; N400-A403 PolarHBondContact O-N 3.22Å; N400-H404 PolarHBondContact O-N 3.43Å; N400-R419 PolarHBondContact OD1-NH1 3.12Å; N400-R419 PolarHBondContact OD1-NH2 2.79Å
401P98.6Very high98.3Very high61 Ų6139.7 Ų39.740%0.39620%0.204SC..Hα-helixtrans-55.8-47.3175.9-27.935.3000113.4H399 A403 H404 E405H399-P401 WeakPolarHBondContact NE2-CG 3.25Å; P401-A403 VanDerWaalsContact C-N 3.3Å; P401-A403 PolarHBondContact O-N 3.41Å; P401-H404 PolarHBondContact O-N 3.21Å; P401-H404 VanDerWaalsContact O-N 3.13Å; P401-E405 WeakPolarHBondContact O-CG 3.48Å; P401-E405 PolarHBondContact O-N 3.4Å
402L98.8Very high98.2Very high2 Ų235.3 Ų35.31%0.0118%0.184CC..Hα-helixtrans-59.5-41.7176.5176.661.7000111.5A373 I375 H399 N400 H404 E405 L406 N462 A464 F492A373-L402 HydrophobicContact CB-CD1 4.13Å; A373-L402 HydrophobicContact CB-CD2 4.15Å; I375-L402 HydrophobicContact CD1-CD1 4.4Å; I375-L402 HydrophobicContact CG1-CD1 4.41Å; H399-L402 HydrophobicContact CB-CB 4.28Å; H399-L402 PolarHBondContact O-N 2.95Å; N400-L402 PolarHBondContact O-N 3.5Å; L402-H404 VanDerWaalsContact C-N 3.35Å; L402-H404 PolarHBondContact O-N 2.9Å; L402-E405 PolarHBondContact O-N 2.92Å; L402-L406 HydrophobicContact CD1-CD1 4.24Å; L402-L406 HydrophobicContact CD1-CG 4.38Å; L402-L406 HydrophobicContact CG-CD1 4.21Å; L402-L406 WeakPolarHBondContact O-CG 3.28Å; L402-L406 PolarHBondContact O-N 2.99Å; L402-L406 VanDerWaalsContact O-N 3.07Å; L402-N462 HydrophobicContact CD2-CB 4.34Å; L402-A464 HydrophobicContact CD2-CB 3.85Å; L402-A464 HydrophobicContact CG-CB 4.13Å; L402-F492 HydrophobicContact CD1-CE2 3.91Å; L402-F492 HydrophobicContact CD1-CZ 3.82Å
403A98.7Very high98.1Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-60.6-43.5175.900000112.1L395 A397 H399 N400 P401 L406 I407L395-A403 HydrophobicContact CD2-CB 4.46Å; A397-A403 HydrophobicContact CB-CB 3.86Å; H399-A403 PolarHBondContact O-N 2.98Å; H399-A403 VanDerWaalsContact O-N 3.11Å; N400-A403 WeakPolarHBondContact O-CB 3.31Å; N400-A403 PolarHBondContact O-N 3.22Å; P401-A403 VanDerWaalsContact C-N 3.3Å; P401-A403 PolarHBondContact O-N 3.41Å; A403-L406 PolarHBondContact O-N 3.42Å; A403-I407 WeakPolarHBondContact O-CG1 3.32Å; A403-I407 PolarHBondContact O-N 2.8Å
404H98.6Very high98Very high119 Ų11935.5 Ų35.555%0.55119%0.193SC*.Hα-helixtrans-66.3-40.3178.9-65.3168.7000112.3N400 P401 L402 L406 I407 A408N400-H404 PolarHBondContact O-N 3.43Å; P401-H404 PolarHBondContact O-N 3.21Å; P401-H404 VanDerWaalsContact O-N 3.13Å; L402-H404 VanDerWaalsContact C-N 3.35Å; L402-H404 PolarHBondContact O-N 2.9Å; H404-L406 VanDerWaalsContact C-N 3.34Å; H404-L406 PolarHBondContact O-N 2.86Å; H404-I407 PolarHBondContact O-N 2.99Å; H404-A408 WeakPolarHBondContact O-CB 3.43Å; H404-A408 PolarHBondContact O-N 2.88Å
405E98.6Very high97.9Very high62 Ų6236 Ų3629%0.2920%0.196SC..Hα-helixtrans-62-41.4176.1-70.7171.4-163.800112P401 L402 A408 A409 F492 R496P401-E405 WeakPolarHBondContact O-CG 3.48Å; P401-E405 PolarHBondContact O-N 3.4Å; L402-E405 PolarHBondContact O-N 2.92Å; E405-A408 PolarHBondContact O-N 2.79Å; E405-A409 WeakPolarHBondContact O-CB 3.5Å; E405-A409 PolarHBondContact O-N 2.65Å; E405-F492 HydrophobicContact CB-CD2 4.12Å; E405-F492 HydrophobicContact CB-CE2 3.9Å; E405-F492 VanDerWaalsContact OE2-CE2 3.32Å; E405-F492 WeakPolarHBondContact OE2-CE2 3.27Å; E405-R496 VanDerWaalsContact CD-NH2 3.33Å; E405-R496 IonicContact OE1-CZ 2.69Å; E405-R496 IonicContact OE1-NE 2.69Å; E405-R496 IonicContact OE1-NH2 3.84Å; E405-R496 PolarHBondContact OE1-NH2 3.37Å; E405-R496 VanDerWaalsContact OE1-NH2 3.13Å; E405-R496 IonicContact OE2-CZ 3.52Å; E405-R496 IonicContact OE2-NE 2.8Å; E405-R496 PolarHBondContact OE2-NE 2.9Å; E405-R496 IonicContact OE2-NH2 2.62Å; E405-R496 PolarHBondContact OE2-NH2 3.18Å
406L98.8Very high97.9Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-67.6-40.5176.6-71169.5000112.2I375 L395 L402 A403 H404 A409 S410 A464 L488 L489 F492I375-L406 HydrophobicContact CD1-CD1 4.49Å; I375-L406 HydrophobicContact CD1-CD2 3.89Å; I375-L406 HydrophobicContact CG1-CD1 4.36Å; L395-L406 HydrophobicContact CD1-CD1 3.8Å; L395-L406 HydrophobicContact CD2-CB 4.14Å; L402-L406 HydrophobicContact CD1-CD1 4.24Å; L402-L406 HydrophobicContact CD1-CG 4.38Å; L402-L406 HydrophobicContact CG-CD1 4.21Å; L402-L406 WeakPolarHBondContact O-CG 3.28Å; L402-L406 PolarHBondContact O-N 2.99Å; L402-L406 VanDerWaalsContact O-N 3.07Å; A403-L406 PolarHBondContact O-N 3.42Å; H404-L406 VanDerWaalsContact C-N 3.34Å; H404-L406 PolarHBondContact O-N 2.86Å; L406-A409 PolarHBondContact O-N 2.75Å; L406-S410 VanDerWaalsContact O-CB 3.3Å; L406-S410 WeakPolarHBondContact O-CB 3.44Å; L406-S410 PolarHBondContact O-N 3.47Å; L406-A464 HydrophobicContact CD1-CB 3.42Å; L406-A464 VanDerWaalsContact CD1-CB 3.42Å; L406-L488 HydrophobicContact CD2-CD2 3.73Å; L406-L489 HydrophobicContact CD2-CD2 4.41Å; L406-F492 HydrophobicContact CD2-CB 4.22Å; L406-F492 HydrophobicContact CD2-CD1 4.43Å; L406-F492 HydrophobicContact CD2-CD2 3.83Å; L406-F492 HydrophobicContact CD2-CE2 4.31Å; L406-F492 HydrophobicContact CD2-CG 3.89Å; L406-F492 HydrophobicContact CG-CD2 4.33Å
407I98.7Very high97.9Very high39 Ų3942.7 Ų42.720%0.222%0.223CC..Hα-helixtrans-62.3-47.7174.2-69.1-64.4000110.5L395 A403 H404 A409 S410 E411 A417L395-I407 HydrophobicContact CD2-CD1 3.77Å; L395-I407 HydrophobicContact CD2-CG1 3.8Å; A403-I407 WeakPolarHBondContact O-CG1 3.32Å; A403-I407 PolarHBondContact O-N 2.8Å; H404-I407 PolarHBondContact O-N 2.99Å; I407-A409 VanDerWaalsContact C-N 3.34Å; I407-A409 PolarHBondContact O-N 3.37Å; I407-S410 WeakPolarHBondContact O-CA 3.5Å; I407-S410 WeakPolarHBondContact O-CB 3.5Å; I407-S410 PolarHBondContact O-N 2.79Å; I407-S410 VanDerWaalsContact O-N 3.07Å; I407-S410 PolarHBondContact O-OG 2.77Å; I407-E411 WeakPolarHBondContact O-CG 3.28Å; I407-E411 PolarHBondContact O-N 3.01Å; I407-A417 HydrophobicContact CD1-CB 4.27Å; I407-A417 WeakPolarHBondContact CD1-O 3.25Å
408A97.8Very high97.9Very high37 Ų3749.9 Ų49.931%0.30625%0.249SC..Hα-helixtrans-59.7-43177.200000112.1H404 E405 S410 E411 Q412H404-A408 WeakPolarHBondContact O-CB 3.43Å; H404-A408 PolarHBondContact O-N 2.88Å; E405-A408 PolarHBondContact O-N 2.79Å; A408-S410 VanDerWaalsContact C-N 3.31Å; A408-S410 PolarHBondContact O-N 3.5Å; A408-E411 PolarHBondContact O-N 3.44Å; A408-Q412 WeakPolarHBondContact O-CB 3.43Å; A408-Q412 VanDerWaalsContact O-CG 3.28Å; A408-Q412 WeakPolarHBondContact O-CG 3.33Å; A408-Q412 PolarHBondContact O-N 3.48Å
409A98.3Very high97.9Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-63.9-36.2174.500000112.5E405 L406 I407 E411 Q412 S413 L488 Q491 F492E405-A409 WeakPolarHBondContact O-CB 3.5Å; E405-A409 PolarHBondContact O-N 2.65Å; L406-A409 PolarHBondContact O-N 2.75Å; I407-A409 VanDerWaalsContact C-N 3.34Å; I407-A409 PolarHBondContact O-N 3.37Å; A409-E411 VanDerWaalsContact C-N 3.35Å; A409-Q412 PolarHBondContact O-N 3.27Å; A409-S413 WeakPolarHBondContact O-CB 3.41Å; A409-S413 PolarHBondContact O-N 3.43Å; A409-S413 PolarHBondContact O-OG 2.95Å; A409-L488 HydrophobicContact CB-CD2 4.43Å; A409-Q491 HydrophobicContact CB-CB 4.12Å; A409-Q491 HydrophobicContact CB-CG 3.98Å; A409-F492 HydrophobicContact CB-CB 3.82Å
410S98.1Very high97.9Very high2 Ų248.8 Ų48.81%0.01424%0.239CC..Hα-helixtrans-65.7-37.6176.289.90000111.9L406 I407 A408 S413 G414 D415 A417L406-S410 VanDerWaalsContact O-CB 3.3Å; L406-S410 WeakPolarHBondContact O-CB 3.44Å; L406-S410 PolarHBondContact O-N 3.47Å; I407-S410 WeakPolarHBondContact O-CA 3.5Å; I407-S410 WeakPolarHBondContact O-CB 3.5Å; I407-S410 PolarHBondContact O-N 2.79Å; I407-S410 VanDerWaalsContact O-N 3.07Å; I407-S410 PolarHBondContact O-OG 2.77Å; A408-S410 VanDerWaalsContact C-N 3.31Å; A408-S410 PolarHBondContact O-N 3.5Å; S410-S413 PolarHBondContact O-OG 2.93Å; S410-G414 CarbonylContact O-C 3.59Å; S410-G414 WeakPolarHBondContact O-CA 3.37Å; S410-G414 PolarHBondContact O-N 2.96Å; S410-D415 WeakPolarHBondContact CA-O 3.28Å; S410-D415 VanDerWaalsContact CB-O 3.24Å; S410-D415 WeakPolarHBondContact CB-O 3.44Å; S410-D415 PolarHBondContact O-N 2.96Å; S410-A417 PolarHBondContact OG-N 3.47Å
411E96Very high97.9Very high118 Ų11847.3 Ų47.355%0.55123%0.234SC*.Hα-helixtrans-72.7-41.8175.6-69.4177.3164.500111.4R120 I407 A408 A409 G414R120-E411 PolarHBondContact NH2-O 2.88Å; I407-E411 WeakPolarHBondContact O-CG 3.28Å; I407-E411 PolarHBondContact O-N 3.01Å; A408-E411 PolarHBondContact O-N 3.44Å; A409-E411 VanDerWaalsContact C-N 3.35Å; E411-G414 PolarHBondContact O-N 2.85Å
412Q95.5Very high97.7Very high45 Ų4546.7 Ų46.721%0.2123%0.227CC..Hα-helixtrans-64.3-41.6178.6-76.3171.8-9.800113.1W124 A408 A409 Q491 N495W124-Q412 PolarHBondContact NE1-O 2.8Å; A408-Q412 WeakPolarHBondContact O-CB 3.43Å; A408-Q412 VanDerWaalsContact O-CG 3.28Å; A408-Q412 WeakPolarHBondContact O-CG 3.33Å; A408-Q412 PolarHBondContact O-N 3.48Å; A409-Q412 PolarHBondContact O-N 3.27Å; Q412-Q491 HydrophobicContact CB-CG 3.7Å; Q412-Q491 VanDerWaalsContact OE1-CG 3.26Å; Q412-Q491 VanDerWaalsContact OE1-NE2 3.11Å; Q412-N495 PolarHBondContact OE1-ND2 3.46Å; Q412-N495 PolarHBondContact OE1-OD1 3.03Å
413S96.5Very high97.3Very high1 Ų147.3 Ų47.31%0.00724%0.235CC..Hα-helixtrans-80.4-24.417859.80000113.1K90 A409 S410 D415 A487K90-S413 PolarHBondContact NZ-O 3.01Å; A409-S413 WeakPolarHBondContact O-CB 3.41Å; A409-S413 PolarHBondContact O-N 3.43Å; A409-S413 PolarHBondContact O-OG 2.95Å; S410-S413 PolarHBondContact O-OG 2.93Å; S413-D415 PolarHBondContact OG-N 2.8Å; S413-A487 WeakPolarHBondContact CB-O 3.5Å
414G95.5Very high97Very high32 Ų3253.6 Ų53.633%0.3327%0.268SS..SBendtrans75.77-168.400000113.5S410 E411 R416S410-G414 CarbonylContact O-C 3.59Å; S410-G414 WeakPolarHBondContact O-CA 3.37Å; S410-G414 PolarHBondContact O-N 2.96Å; E411-G414 PolarHBondContact O-N 2.85Å; G414-R416 PolarHBondContact O-N 2.87Å
415D97.9Very high96.8Very high11 Ų1153.4 Ų53.46%0.05927%0.267CS..  trans-91.277.7170.6-169.5-6.7000109.2S410 S413 R484 P485 A487 L488S410-D415 WeakPolarHBondContact CA-O 3.28Å; S410-D415 VanDerWaalsContact CB-O 3.24Å; S410-D415 WeakPolarHBondContact CB-O 3.44Å; S410-D415 PolarHBondContact O-N 2.96Å; S413-D415 PolarHBondContact OG-N 2.8Å; D415-R484 IonicContact OD1-CZ 2.65Å; D415-R484 IonicContact OD1-NE 2.78Å; D415-R484 PolarHBondContact OD1-NE 3.4Å; D415-R484 IonicContact OD1-NH2 3.75Å; D415-R484 PolarHBondContact OD1-NH2 3.32Å; D415-R484 IonicContact OD2-NE 2.65Å; D415-P485 WeakPolarHBondContact OD2-CA 3.24Å; D415-A487 HydrophobicContact CB-CB 4.01Å; D415-L488 HydrophobicContact CB-CB 4.1Å
416R98Very high96.7Very high132 Ų13253.1 Ų53.150%0.49826%0.264SS..  trans-68.4142.9-163.5-53.5-165-46.7-173.35.6113.6I392 T393 G414 R484I392-R416 VanDerWaalsContact CG1-NH2 3.33Å; I392-R416 HydrophobicContact CG2-CB 4.35Å; T393-R416 PolarHBondContact N-O 2.94Å; G414-R416 PolarHBondContact O-N 2.87Å; R416-R484 PolarHBondContact O-NH2 3.1Å
417A98.7Very high96.5Very high8 Ų854.6 Ų54.67%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-121159.4166.700000111.1T393 L395 I407 S410 L488T393-A417 CarbonylContact O-C 3.42Å; T393-A417 WeakPolarHBondContact O-CA 3.45Å; L395-A417 HydrophobicContact CB-CB 4.27Å; I407-A417 HydrophobicContact CD1-CB 4.27Å; I407-A417 WeakPolarHBondContact CD1-O 3.25Å; S410-A417 PolarHBondContact OG-N 3.47Å; A417-L488 HydrophobicContact CB-CD1 3.94Å
418W98.6Very high96.4Very high157 Ų15759 Ų5960%0.59529%0.291SS*.EExtended strand (participates in β ladder)trans-131.7132173.6-174-97.6000110.3L388 I392 T393 L395 L420L388-W418 HydrophobicContact CD1-CB 4.34Å; L388-W418 HydrophobicContact CD2-CB 4.4Å; I392-W418 HydrophobicContact CG2-CB 3.64Å; T393-W418 PolarHBondContact O-N 3.5Å; L395-W418 PolarHBondContact N-O 3.47Å; W418-L420 PolarHBondContact O-N 2.81Å
419R98.5Very high96.4Very high82 Ų8260.8 Ų60.831%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-77.9119.6-177.6-168.4177.7-177.5-174-0.8111.1L395 A397 N400L395-R419 CarbonylContact O-C 3.29Å; L395-R419 VanDerWaalsContact O-CA 3.27Å; L395-R419 WeakPolarHBondContact O-CA 3.43Å; A397-R419 PolarHBondContact O-NH2 2.88Å; N400-R419 PolarHBondContact OD1-NH1 3.12Å; N400-R419 PolarHBondContact OD1-NH2 2.79Å
420L98.4Very high96.3Very high23 Ų2360.8 Ų60.812%0.1229%0.293CS..PPolyproline II helixtrans-93156169.6-59.7177.9000109.9L395 M396 W418 A447 I448L395-L420 PolarHBondContact O-N 3.42Å; M396-L420 HydrophobicContact CE-CD1 4.18Å; M396-L420 HydrophobicContact CG-CB 3.81Å; M396-L420 HydrophobicContact SD-CB 4.34Å; W418-L420 PolarHBondContact O-N 2.81Å; L420-A447 HydrophobicContact CD1-CB 4.24Å; L420-I448 HydrophobicContact CB-CG1 4.4Å
421P97.1Very high96.3Very high62 Ų6267.7 Ų67.740%0.40333%0.325SS..PPolyproline II helixtrans-71.2161.4-179.730.9-36.5000112.4Y426 I448P421-Y426 HydrophobicContact CB-CE2 4.38Å; P421-Y426 HydrophobicContact CG-CE2 4.09Å; P421-I448 HydrophobicContact CG-CD1 3.66Å; P421-I448 HydrophobicContact CG-CG1 4.11Å; P421-I448 HydrophobicContact CG-CG2 4.44Å; P421-I448 WeakPolarHBondContact O-CG2 3.31Å
422L94.8Very high96.4Very high48 Ų4863.2 Ų63.225%0.25131%0.307SS..  trans-134.861.7167.1-77.2177.3000108M396 W463M396-L422 HydrophobicContact CB-CD1 3.93Å; M396-L422 HydrophobicContact CB-CD2 4Å; M396-L422 HydrophobicContact CB-CG 3.85Å; M396-L422 HydrophobicContact CG-CD2 4.1Å; M396-L422 HydrophobicContact CG-CG 4.1Å; M396-L422 HydrophobicContact SD-CD2 4.09Å; L422-W463 HydrophobicContact CD1-CZ3 3.82Å
423G90.8Very high96.5Very high16 Ų1668.3 Ų68.317%0.16534%0.335CS..  trans-81.3156179.900000112.6E425 Y426G423-E425 VanDerWaalsContact C-N 3.26Å; G423-E425 WeakPolarHBondContact CA-OE2 3.49Å; G423-E425 PolarHBondContact O-N 3.22Å; G423-Y426 PolarHBondContact O-N 3.48Å
424D92.3Very high96.6Very high131 Ų13175.6 Ų75.670%0.70137%0.367SS*.G310 helixtrans-66.2-28.9178.5-70.5-28.6000111.9Y426 Q427D424-Y426 PolarHBondContact O-N 3.32Å; D424-Y426 VanDerWaalsContact O-N 3.15Å; D424-Q427 WeakPolarHBondContact O-CA 3.31Å; D424-Q427 VanDerWaalsContact O-CB 3.23Å; D424-Q427 WeakPolarHBondContact O-CB 3.46Å; D424-Q427 PolarHBondContact O-N 2.89Å
425E94.6Very high96.7Very high115 Ų11574.9 Ų74.954%0.53736%0.358SS..G310 helixtrans-61.2-24.717767-85.3-16100113.3G423G423-E425 VanDerWaalsContact C-N 3.26Å; G423-E425 WeakPolarHBondContact CA-OE2 3.49Å; G423-E425 PolarHBondContact O-N 3.22Å
426Y96.2Very high96.7Very high56 Ų5678.8 Ų78.822%0.2238%0.379CS..G310 helixtrans-83.8-18174.9-60.1-85.8000112.4P421 G423 D424 Q429 I448P421-Y426 HydrophobicContact CB-CE2 4.38Å; P421-Y426 HydrophobicContact CG-CE2 4.09Å; G423-Y426 PolarHBondContact O-N 3.48Å; D424-Y426 PolarHBondContact O-N 3.32Å; D424-Y426 VanDerWaalsContact O-N 3.15Å; Y426-Q429 PolarHBondContact O-N 3Å; Y426-I448 HydrophobicContact CD1-CB 4Å; Y426-I448 HydrophobicContact CD1-CD1 4.37Å; Y426-I448 HydrophobicContact CD1-CG2 3.49Å; Y426-I448 VanDerWaalsContact CD1-CG2 3.49Å; Y426-I448 HydrophobicContact CD2-CG2 3.69Å; Y426-I448 HydrophobicContact CE1-CB 4.19Å; Y426-I448 HydrophobicContact CE1-CD1 3.69Å; Y426-I448 HydrophobicContact CE1-CG2 3.87Å; Y426-I448 HydrophobicContact CE2-CG2 4.07Å; Y426-I448 HydrophobicContact CG-CB 4.37Å; Y426-I448 HydrophobicContact CG-CG2 3.37Å
427Q95.4Very high96.7Very high31 Ų3172.5 Ų72.515%0.14536%0.355CS..THydrogen-bonded Turntrans-71-34.6176.8-62.9-74.5-7.500111.5D424 Q429 L430 C452 S455 R456D424-Q427 WeakPolarHBondContact O-CA 3.31Å; D424-Q427 VanDerWaalsContact O-CB 3.23Å; D424-Q427 WeakPolarHBondContact O-CB 3.46Å; D424-Q427 PolarHBondContact O-N 2.89Å; Q427-Q429 PolarHBondContact O-N 3.43Å; Q427-L430 WeakPolarHBondContact O-CB 3.27Å; Q427-L430 PolarHBondContact O-N 2.77Å; Q427-L430 VanDerWaalsContact O-N 3.08Å; Q427-C452 PolarHBondContact NE2-O 3.02Å; Q427-S455 PolarHBondContact NE2-OG 3.23Å; Q427-R456 PolarHBondContact O-NH2 3.31Å; Q427-R456 VanDerWaalsContact O-NH2 3.14Å
428E95.5Very high96.7Very high133 Ų13372.2 Ų72.262%0.62135%0.352SS*.G310 helixtrans-60.7-30.8176.8-64.3-179.5-176.800111.8L430 E431E428-L430 PolarHBondContact O-N 3.38Å; E428-L430 VanDerWaalsContact O-N 3.13Å; E428-E431 WeakPolarHBondContact O-CB 3.41Å; E428-E431 VanDerWaalsContact O-CG 3.31Å; E428-E431 WeakPolarHBondContact O-CG 3.46Å; E428-E431 PolarHBondContact O-N 2.9Å; E428-E431 VanDerWaalsContact O-N 3.14Å
429Q97.1Very high96.7Very high74 Ų7464.7 Ų64.735%0.34632%0.324SS..G310 helixtrans-65.4-17.5177.2-57.8-171.2-73.700113.2Y426 Q427 G441 T449Y426-Q429 PolarHBondContact O-N 3Å; Q427-Q429 PolarHBondContact O-N 3.43Å; Q429-G441 WeakPolarHBondContact O-CA 3.21Å; Q429-T449 HydrophobicContact CB-CG2 3.97Å; Q429-T449 HydrophobicContact CG-CG2 4.42Å
430L97.8Very high96.7Very high0 Ų063 Ų630%032%0.32CS..G310 helixtrans-94.76.7179-61.1172.8000112.9Q427 E428 M437 A438 C452 F453Q427-L430 WeakPolarHBondContact O-CB 3.27Å; Q427-L430 PolarHBondContact O-N 2.77Å; Q427-L430 VanDerWaalsContact O-N 3.08Å; E428-L430 PolarHBondContact O-N 3.38Å; E428-L430 VanDerWaalsContact O-N 3.13Å; L430-M437 HydrophobicContact CB-CB 4.49Å; L430-M437 CarbonylContact O-C 3.49Å; L430-M437 WeakPolarHBondContact O-CA 3.46Å; L430-M437 WeakPolarHBondContact O-CB 3.27Å; L430-A438 PolarHBondContact O-N 3.49Å; L430-C452 HydrophobicContact CD1-CB 4.08Å; L430-F453 HydrophobicContact CD1-CB 3.91Å
431E97.3Very high96.5Very high147 Ų14762.4 Ų62.469%0.68732%0.32SS*.  trans-59.9137.7175.7-73.6-179.917500111.6E428E428-E431 WeakPolarHBondContact O-CB 3.41Å; E428-E431 VanDerWaalsContact O-CG 3.31Å; E428-E431 WeakPolarHBondContact O-CG 3.46Å; E428-E431 PolarHBondContact O-N 2.9Å; E428-E431 VanDerWaalsContact O-N 3.14Å
432S98Very high96.4Very high24 Ų2461.5 Ų61.517%0.16832%0.323CS..  trans-122.2148.6175.7167.40000109.5E347 F434 A435E347-S432 WeakPolarHBondContact CB-OG 3.39Å; E347-S432 WeakPolarHBondContact OE2-CB 3.43Å; E347-S432 PolarHBondContact OE2-OG 3.26Å; S432-F434 VanDerWaalsContact C-N 3.32Å; S432-F434 PolarHBondContact OG-N 2.82Å; S432-A435 WeakPolarHBondContact CB-O 3.39Å; S432-A435 PolarHBondContact OG-N 2.65Å
433N97.4Very high96.3Very high152 Ų15270.5 Ų70.581%0.81335%0.353SS*.SBendtrans-82.3-11.9173.2-65.9-56.1000112.9
434F98.1Very high96.6Very high154 Ų15474.5 Ų74.568%0.67538%0.376SS*.SBendtrans-128.1-12.6-167.6-54.8-71.1000114E347 S432E347-F434 VanDerWaalsContact OE1-CD2 3.31Å; E347-F434 WeakPolarHBondContact OE1-CD2 3.37Å; S432-F434 VanDerWaalsContact C-N 3.32Å; S432-F434 PolarHBondContact OG-N 2.82Å
435A98.4Very high96.8Very high16 Ų1669.7 Ų69.713%0.13236%0.357CS..SBendtrans-145.1175-178.200000110.9V337 E347 S432 M437V337-A435 HydrophobicContact CG1-CB 3.93Å; V337-A435 HydrophobicContact CG2-CB 4.42Å; E347-A435 HydrophobicContact CB-CB 3.96Å; S432-A435 WeakPolarHBondContact CB-O 3.39Å; S432-A435 PolarHBondContact OG-N 2.65Å; A435-M437 PolarHBondContact O-N 3.15Å
436D98.4Very high96.9Very high93 Ų9364.7 Ų64.750%0.49734%0.337SS..SBendtrans-64.9-24.1177.2-58.5-55.4000112.7Q344 T345 R456Q344-D436 WeakPolarHBondContact CA-OD2 3.42Å; T345-D436 PolarHBondContact N-OD2 2.98Å; T345-D436 WeakPolarHBondContact O-CB 3.47Å; T345-D436 PolarHBondContact O-N 3.18Å; T345-D436 VanDerWaalsContact OG1-CG 3.28Å; T345-D436 PolarHBondContact OG1-N 3.32Å; T345-D436 PolarHBondContact OG1-OD2 3.47Å; D436-R456 PolarHBondContact O-NH1 3.36Å
437M98.3Very high96.9Very high0 Ų062.4 Ų62.40%033%0.329CS..EExtended strand (participates in β ladder)trans-160.4159.5173.266.5-166.184.500112.8Q344 T345 V346 E347 L430 A435 F453 R456 F457Q344-M437 HydrophobicContact CB-CE 4.22Å; T345-M437 PolarHBondContact O-N 2.73Å; V346-M437 CarbonylContact C-O 3.6Å; V346-M437 VanDerWaalsContact CA-O 3.31Å; V346-M437 WeakPolarHBondContact CA-O 3.33Å; V346-M437 HydrophobicContact CB-CG 4.46Å; V346-M437 HydrophobicContact CG1-CG 4.32Å; V346-M437 HydrophobicContact CG2-CG 3.91Å; V346-M437 HydrophobicContact CG2-SD 4.3Å; E347-M437 PolarHBondContact N-O 2.89Å; L430-M437 HydrophobicContact CB-CB 4.49Å; L430-M437 CarbonylContact O-C 3.49Å; L430-M437 WeakPolarHBondContact O-CA 3.46Å; L430-M437 WeakPolarHBondContact O-CB 3.27Å; A435-M437 PolarHBondContact O-N 3.15Å; M437-F453 HydrophobicContact CG-CD2 4.25Å; M437-F453 HydrophobicContact CG-CE2 3.87Å; M437-F453 HydrophobicContact SD-CD2 3.63Å; M437-F453 HydrophobicContact SD-CE2 3.47Å; M437-F453 WeakPolarHBondContact SD-CE2 3.47Å; M437-F453 HydrophobicContact SD-CG 4.48Å; M437-F453 HydrophobicContact SD-CZ 4.21Å; M437-R456 HydrophobicContact CE-CB 4.4Å; M437-R456 VanDerWaalsContact CE-CD 3.44Å; M437-F457 HydrophobicContact CE-CZ 4.11Å; M437-F457 HydrophobicContact SD-CE2 4.32Å; M437-F457 HydrophobicContact SD-CZ 4.21Å
438A98.5Very high97.1Very high2 Ų261.9 Ų61.92%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-88.2152.8164.100000110.9E347 L349 L430 I440E347-A438 WeakPolarHBondContact O-CA 3.33Å; L349-A438 HydrophobicContact CD1-CB 3.74Å; L349-A438 HydrophobicContact CG-CB 4.23Å; L430-A438 PolarHBondContact O-N 3.49Å; A438-I440 VanDerWaalsContact C-N 3.26Å; A438-I440 PolarHBondContact O-N 3.03Å
439N98.2Very high97.2Very high0 Ų055.6 Ų55.60%030%0.298CS..SBendtrans-73.9-15.5177.278.3-35.9000113.8V346 E347 L349 N350 A353 R356 L357 F453V346-N439 HydrophobicContact CG1-CB 3.81Å; E347-N439 PolarHBondContact O-N 3.43Å; L349-N439 PolarHBondContact N-OD1 2.94Å; N350-N439 PolarHBondContact O-ND2 3.22Å; A353-N439 PolarHBondContact O-ND2 2.79Å; R356-N439 WeakPolarHBondContact CD-O 3.36Å; R356-N439 PolarHBondContact NH1-O 3.01Å; L357-N439 HydrophobicContact CD1-CB 4.47Å; L357-N439 HydrophobicContact CD2-CB 3.95Å; L357-N439 HydrophobicContact CG-CB 4.38Å; N439-F453 HydrophobicContact CB-CE2 4.45Å
440I97.6Very high97.3Very high45 Ų4552.1 Ų52.123%0.23128%0.282CS..  trans-131145.2177.366.2-178.1000111.1L349 N350 A353 A438L349-I440 HydrophobicContact CB-CD1 3.74Å; L349-I440 HydrophobicContact CB-CG1 3.86Å; L349-I440 HydrophobicContact CD1-CD1 4.46Å; L349-I440 HydrophobicContact CD1-CG1 4.02Å; N350-I440 HydrophobicContact CB-CD1 3.86Å; N350-I440 HydrophobicContact CB-CG2 4.34Å; A353-I440 HydrophobicContact CB-CG2 3.31Å; A438-I440 VanDerWaalsContact C-N 3.26Å; A438-I440 PolarHBondContact O-N 3.03Å
441G95.5Very high97.3Very high11 Ų1152.1 Ų52.111%0.11328%0.282CS..  trans-104.120.7173.200000114.4Q429Q429-G441 WeakPolarHBondContact O-CA 3.21Å
442G93.9Very high97.3Very high44 Ų4445.1 Ų45.145%0.45425%0.249SC..  trans85-173.4-17500000114.7
443R93.8Very high97.4Very high237 Ų23744 Ų4489%0.89424%0.241SC*.SBendtrans-74.5-50.4-175.9-80.9-178.5152.8-158.9-5.9113.8G445 G446R443-G445 PolarHBondContact O-N 3.32Å; R443-G446 PolarHBondContact O-N 3.19Å
444P95.8Very high97.4Very high99 Ų9936.7 Ų36.764%0.64320%0.202SC*.THydrogen-bonded Turntrans-62.6131.3178.3-20.934.3000110.6G446P444-G446 PolarHBondContact O-N 2.72Å
445G96.4Very high97.4Very high30 Ų3030.2 Ų30.231%0.30918%0.176SC..THydrogen-bonded Turntrans69.415.5-179.800000114.7R443 A447 I448 T449R443-G445 PolarHBondContact O-N 3.32Å; G445-A447 PolarHBondContact O-N 3.27Å; G445-I448 WeakPolarHBondContact O-CA 3.35Å; G445-I448 WeakPolarHBondContact O-CB 3.47Å; G445-I448 PolarHBondContact O-N 3.31Å; G445-T449 PolarHBondContact O-N 3.44Å; G445-T449 PolarHBondContact O-OG1 3.05Å
446G97.2Very high97.4Very high11 Ų1131.4 Ų31.411%0.11318%0.177CC..Hα-helixtrans-54.2-29.5-172.200000116.4R443 P444 T449 A450R443-G446 PolarHBondContact O-N 3.19Å; P444-G446 PolarHBondContact O-N 2.72Å; G446-T449 WeakPolarHBondContact CA-OG1 3.47Å; G446-T449 PolarHBondContact O-OG1 3.08Å; G446-A450 WeakPolarHBondContact O-CB 3.48Å; G446-A450 PolarHBondContact O-N 2.86Å
447A97.4Very high97.4Very high7 Ų727.6 Ų27.66%0.05816%0.156CC..Hα-helixtrans-71.3-41.1173.500000111.8A383 C384 M396 L420 G445 G451A383-A447 HydrophobicContact CB-CB 4.12Å; C384-A447 HydrophobicContact CB-CB 3.99Å; M396-A447 WeakPolarHBondContact CE-O 3.42Å; L420-A447 HydrophobicContact CD1-CB 4.24Å; G445-A447 PolarHBondContact O-N 3.27Å; A447-G451 PolarHBondContact O-N 3.25Å
448I98.3Very high97.4Very high21 Ų2127.6 Ų27.611%0.10816%0.156CC..Hα-helixtrans-71.5-46.4-179.5-62.5158.6000110L420 P421 Y426 G445 A450 G451 C452L420-I448 HydrophobicContact CB-CG1 4.4Å; P421-I448 HydrophobicContact CG-CD1 3.66Å; P421-I448 HydrophobicContact CG-CG1 4.11Å; P421-I448 HydrophobicContact CG-CG2 4.44Å; P421-I448 WeakPolarHBondContact O-CG2 3.31Å; Y426-I448 HydrophobicContact CD1-CB 4Å; Y426-I448 HydrophobicContact CD1-CD1 4.37Å; Y426-I448 HydrophobicContact CD1-CG2 3.49Å; Y426-I448 VanDerWaalsContact CD1-CG2 3.49Å; Y426-I448 HydrophobicContact CD2-CG2 3.69Å; Y426-I448 HydrophobicContact CE1-CB 4.19Å; Y426-I448 HydrophobicContact CE1-CD1 3.69Å; Y426-I448 HydrophobicContact CE1-CG2 3.87Å; Y426-I448 HydrophobicContact CE2-CG2 4.07Å; Y426-I448 HydrophobicContact CG-CB 4.37Å; Y426-I448 HydrophobicContact CG-CG2 3.37Å; G445-I448 WeakPolarHBondContact O-CA 3.35Å; G445-I448 WeakPolarHBondContact O-CB 3.47Å; G445-I448 PolarHBondContact O-N 3.31Å; I448-A450 PolarHBondContact O-N 3.48Å; I448-G451 CarbonylContact O-C 3.52Å; I448-G451 WeakPolarHBondContact O-CA 3.48Å; I448-G451 PolarHBondContact O-N 2.81Å; I448-C452 PolarHBondContact O-N 3.43Å; I448-C452 PolarHBondContact O-SG 3.08Å; I448-C452 VanDerWaalsContact O-SG 3.38Å
449T98.2Very high97.3Very high1 Ų136.8 Ų36.81%0.00619%0.19CC..Hα-helixtrans-63.1-31.4178.457.70000112.2Q429 G445 G446 C452 F453Q429-T449 HydrophobicContact CB-CG2 3.97Å; Q429-T449 HydrophobicContact CG-CG2 4.42Å; G445-T449 PolarHBondContact O-N 3.44Å; G445-T449 PolarHBondContact O-OG1 3.05Å; G446-T449 WeakPolarHBondContact CA-OG1 3.47Å; G446-T449 PolarHBondContact O-OG1 3.08Å; T449-C452 PolarHBondContact O-N 3.44Å; T449-F453 WeakPolarHBondContact O-CB 3.32Å; T449-F453 PolarHBondContact O-N 2.87Å
450A98.3Very high97.2Very high0 Ų043.9 Ų43.90%022%0.221CC..Hα-helixtrans-64.3-44.7170.400000112.5R356 L380 T381 G446 I448 F453 L454R356-A450 VanDerWaalsContact CZ-CB 3.43Å; R356-A450 VanDerWaalsContact NH2-CB 3.25Å; L380-A450 HydrophobicContact CD2-CB 3.72Å; L380-A450 HydrophobicContact CG-CB 4.27Å; T381-A450 HydrophobicContact CG2-CB 3.47Å; T381-A450 VanDerWaalsContact CG2-CB 3.47Å; G446-A450 WeakPolarHBondContact O-CB 3.48Å; G446-A450 PolarHBondContact O-N 2.86Å; I448-A450 PolarHBondContact O-N 3.48Å; A450-F453 WeakPolarHBondContact O-CB 3.32Å; A450-F453 PolarHBondContact O-N 2.97Å; A450-L454 WeakPolarHBondContact O-CG 3.43Å; A450-L454 PolarHBondContact O-N 2.94Å; A450-L454 VanDerWaalsContact O-N 3.11Å
451G98.3Very high97.3Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-63.6-40.1172.800000112.8A447 I448 F453 L454 S455 W463A447-G451 PolarHBondContact O-N 3.25Å; I448-G451 CarbonylContact O-C 3.52Å; I448-G451 WeakPolarHBondContact O-CA 3.48Å; I448-G451 PolarHBondContact O-N 2.81Å; G451-F453 VanDerWaalsContact C-N 3.34Å; G451-F453 PolarHBondContact O-N 3.34Å; G451-L454 PolarHBondContact O-N 3.17Å; G451-S455 WeakPolarHBondContact O-CB 3.17Å; G451-S455 PolarHBondContact O-N 2.85Å; G451-W463 WeakPolarHBondContact O-CH2 3.48Å
452C98.2Very high97.4Very high0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-60.6-43.4174.6-71.80000111.4Q427 L430 I448 T449 S455 R456Q427-C452 PolarHBondContact NE2-O 3.02Å; L430-C452 HydrophobicContact CD1-CB 4.08Å; I448-C452 PolarHBondContact O-N 3.43Å; I448-C452 PolarHBondContact O-SG 3.08Å; I448-C452 VanDerWaalsContact O-SG 3.38Å; T449-C452 PolarHBondContact O-N 3.44Å; C452-S455 PolarHBondContact O-N 2.78Å; C452-S455 PolarHBondContact O-OG 3.12Å; C452-R456 PolarHBondContact O-N 3.34Å
453F98.6Very high97.7Very high0 Ų042.7 Ų42.70%020%0.201CC..Hα-helixtrans-55.9-53.4173.6-179.5-81.4000110.8V346 R356 L357 C360 L430 M437 N439 T449 A450 G451 S455 R456 F457V346-F453 HydrophobicContact CG1-CE2 3.75Å; V346-F453 HydrophobicContact CG1-CZ 4.05Å; V346-F453 HydrophobicContact CG2-CE2 4.05Å; V346-F453 HydrophobicContact CG2-CZ 3.95Å; R356-F453 HydrophobicContact CB-CD1 3.68Å; R356-F453 HydrophobicContact CB-CE1 3.92Å; R356-F453 HydrophobicContact CB-CG 4.49Å; R356-F453 HydrophobicContact CG-CD1 3.82Å; R356-F453 HydrophobicContact CG-CE1 3.84Å; R356-F453 HydrophobicContact CG-CG 4.35Å; R356-F453 HydrophobicContact CG-CZ 4.38Å; R356-F453 WeakPolarHBondContact O-CE1 3.41Å; L357-F453 HydrophobicContact CD2-CZ 3.88Å; C360-F453 HydrophobicContact CB-CE1 3.99Å; L430-F453 HydrophobicContact CD1-CB 3.91Å; M437-F453 HydrophobicContact CG-CD2 4.25Å; M437-F453 HydrophobicContact CG-CE2 3.87Å; M437-F453 HydrophobicContact SD-CD2 3.63Å; M437-F453 HydrophobicContact SD-CE2 3.47Å; M437-F453 WeakPolarHBondContact SD-CE2 3.47Å; M437-F453 HydrophobicContact SD-CG 4.48Å; M437-F453 HydrophobicContact SD-CZ 4.21Å; N439-F453 HydrophobicContact CB-CE2 4.45Å; T449-F453 WeakPolarHBondContact O-CB 3.32Å; T449-F453 PolarHBondContact O-N 2.87Å; A450-F453 WeakPolarHBondContact O-CB 3.32Å; A450-F453 PolarHBondContact O-N 2.97Å; G451-F453 VanDerWaalsContact C-N 3.34Å; G451-F453 PolarHBondContact O-N 3.34Å; F453-S455 VanDerWaalsContact C-N 3.31Å; F453-S455 PolarHBondContact O-N 2.84Å; F453-R456 PolarHBondContact O-N 3.45Å; F453-F457 HydrophobicContact CD1-CE2 4Å; F453-F457 AromaticContact CE1-CE2 3.66Å; F453-F457 HydrophobicContact CE1-CE2 3.66Å; F453-F457 HydrophobicContact CE1-CZ 4.31Å; F453-F457 HydrophobicContact CZ-CE2 4.02Å; F453-F457 HydrophobicContact CZ-CZ 4.28Å; F453-F457 VanDerWaalsContact O-CD2 3.28Å; F453-F457 WeakPolarHBondContact O-CD2 3.3Å; F453-F457 VanDerWaalsContact O-CE2 3.27Å; F453-F457 WeakPolarHBondContact O-CE2 3.22Å
454L98.7Very high97.9Very high0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-60.4-39.7179.3-66177.7000112.3R356 L359 L363 L380 A450 G451 R456 F457 W463R356-L454 HydrophobicContact CB-CD2 3.97Å; R356-L454 HydrophobicContact CB-CG 4.46Å; L359-L454 HydrophobicContact CB-CD2 3.63Å; L359-L454 HydrophobicContact CD1-CD1 4.23Å; L359-L454 HydrophobicContact CD1-CD2 4.22Å; L363-L454 HydrophobicContact CD1-CB 4.11Å; L363-L454 HydrophobicContact CD1-CD2 3.91Å; L363-L454 HydrophobicContact CD1-CG 4.49Å; L380-L454 HydrophobicContact CD2-CD1 3.74Å; A450-L454 WeakPolarHBondContact O-CG 3.43Å; A450-L454 PolarHBondContact O-N 2.94Å; A450-L454 VanDerWaalsContact O-N 3.11Å; G451-L454 PolarHBondContact O-N 3.17Å; L454-R456 PolarHBondContact O-N 3.13Å; L454-R456 VanDerWaalsContact O-N 3.08Å; L454-F457 PolarHBondContact O-N 2.86Å; L454-W463 HydrophobicContact CB-CH2 3.82Å; L454-W463 HydrophobicContact CB-CZ2 3.55Å; L454-W463 HydrophobicContact CD1-CZ2 4.26Å
455S98Very high98.1Very high18 Ų1826.7 Ų26.713%0.12613%0.128CC..Hα-helixtrans-59.4-23.7-17876.70000114.2Q427 G451 C452 F453 F457 T458Q427-S455 PolarHBondContact NE2-OG 3.23Å; G451-S455 WeakPolarHBondContact O-CB 3.17Å; G451-S455 PolarHBondContact O-N 2.85Å; C452-S455 PolarHBondContact O-N 2.78Å; C452-S455 PolarHBondContact O-OG 3.12Å; F453-S455 VanDerWaalsContact C-N 3.31Å; F453-S455 PolarHBondContact O-N 2.84Å; S455-F457 PolarHBondContact O-N 3.46Å; S455-T458 WeakPolarHBondContact CA-OG1 3.47Å; S455-T458 PolarHBondContact O-N 3.36Å; S455-T458 PolarHBondContact O-OG1 3.34Å
456R97.5Very high98.2Very high40 Ų4025.3 Ų25.315%0.15111%0.113CC..THydrogen-bonded Turntrans-65.9-19.8176.6-64.8-175.1179.6-158.46.1112.7Q427 D436 M437 C452 F453 L454Q427-R456 PolarHBondContact O-NH2 3.31Å; Q427-R456 VanDerWaalsContact O-NH2 3.14Å; D436-R456 PolarHBondContact O-NH1 3.36Å; M437-R456 HydrophobicContact CE-CB 4.4Å; M437-R456 VanDerWaalsContact CE-CD 3.44Å; C452-R456 PolarHBondContact O-N 3.34Å; F453-R456 PolarHBondContact O-N 3.45Å; L454-R456 PolarHBondContact O-N 3.13Å; L454-R456 VanDerWaalsContact O-N 3.08Å
457F98.5Very high98.3Very high13 Ų1324.8 Ų24.86%0.05711%0.108CC..THydrogen-bonded Turntrans-102.95.2-178.1-53.7-84.4000113.3T340 S342 Q344 C360 L363 M437 F453 L454 S455T340-F457 HydrophobicContact CG2-CE1 3.87Å; T340-F457 HydrophobicContact CG2-CZ 4.03Å; S342-F457 VanDerWaalsContact OG-CE1 3.31Å; S342-F457 WeakPolarHBondContact OG-CE1 3.27Å; Q344-F457 HydrophobicContact CB-CE1 4.45Å; Q344-F457 VanDerWaalsContact NE2-CE1 3.31Å; C360-F457 HydrophobicContact CB-CB 4.49Å; C360-F457 HydrophobicContact CB-CD1 3.77Å; C360-F457 HydrophobicContact CB-CD2 3.39Å; C360-F457 HydrophobicContact CB-CE1 3.74Å; C360-F457 HydrophobicContact CB-CE2 3.38Å; C360-F457 HydrophobicContact CB-CG 3.6Å; C360-F457 HydrophobicContact CB-CZ 3.56Å; L363-F457 HydrophobicContact CB-CB 4.19Å; M437-F457 HydrophobicContact CE-CZ 4.11Å; M437-F457 HydrophobicContact SD-CE2 4.32Å; M437-F457 HydrophobicContact SD-CZ 4.21Å; F453-F457 HydrophobicContact CD1-CE2 4Å; F453-F457 AromaticContact CE1-CE2 3.66Å; F453-F457 HydrophobicContact CE1-CE2 3.66Å; F453-F457 HydrophobicContact CE1-CZ 4.31Å; F453-F457 HydrophobicContact CZ-CE2 4.02Å; F453-F457 HydrophobicContact CZ-CZ 4.28Å; F453-F457 VanDerWaalsContact O-CD2 3.28Å; F453-F457 WeakPolarHBondContact O-CD2 3.3Å; F453-F457 VanDerWaalsContact O-CE2 3.27Å; F453-F457 WeakPolarHBondContact O-CE2 3.22Å; L454-F457 PolarHBondContact O-N 2.86Å; S455-F457 PolarHBondContact O-N 3.46Å
458T98.4Very high98.3Very high0 Ų024.4 Ų24.40%011%0.105CC..  trans-125.512.3-170.265.90000113.9L363 N398 S455 K460 Y461 W463L363-T458 HydrophobicContact CB-CG2 4.08Å; L363-T458 HydrophobicContact CD1-CG2 3.76Å; L363-T458 HydrophobicContact CD2-CG2 3.95Å; L363-T458 HydrophobicContact CG-CG2 4.14Å; N398-T458 PolarHBondContact ND2-O 3.38Å; S455-T458 WeakPolarHBondContact CA-OG1 3.47Å; S455-T458 PolarHBondContact O-N 3.36Å; S455-T458 PolarHBondContact O-OG1 3.34Å; T458-K460 PolarHBondContact O-N 3.37Å; T458-K460 VanDerWaalsContact O-N 3.09Å; T458-Y461 HydrophobicContact CG2-CE2 3.87Å; T458-Y461 PolarHBondContact O-N 3.16Å; T458-W463 HydrophobicContact CG2-CB 4.17Å; T458-W463 HydrophobicContact CG2-CD2 3.72Å; T458-W463 HydrophobicContact CG2-CE3 4.42Å; T458-W463 HydrophobicContact CG2-CG 3.58Å
459R95.9Very high98.3Very high195 Ų19523.8 Ų23.874%0.73610%0.103SC*.THydrogen-bonded Turntrans-63.3-18.5-173.3-65.8-178.4176.9171.9-0.5115
460K97.4Very high98.3Very high149 Ų14923.8 Ų23.865%0.64810%0.104SC*.THydrogen-bonded Turntrans-94.6-2.3-173.4-65.9175-179.5173.60114.1E367 T458E367-K460 HydrophobicContact CG-CB 4.4Å; E367-K460 HydrophobicContact CG-CD 4.06Å; E367-K460 WeakPolarHBondContact OE1-CD 3.4Å; E367-K460 WeakPolarHBondContact OE1-CE 3.04Å; E367-K460 IonicContact OE1-NZ 3.39Å; E367-K460 PolarHBondContact OE1-NZ 3.19Å; E367-K460 WeakPolarHBondContact OE2-CD 3.47Å; E367-K460 IonicContact OE2-NZ 3.39Å; E367-K460 PolarHBondContact OE2-NZ 3.09Å; T458-K460 PolarHBondContact O-N 3.37Å; T458-K460 VanDerWaalsContact O-N 3.09Å
461Y98.5Very high98.3Very high18 Ų1824 Ų247%0.07111%0.105CC..SBendtrans-149.1165.5179.549.6-107.7000111.5L363 V366 E367 P371 V374 N398 T458 W463L363-Y461 VanDerWaalsContact C-OH 3.27Å; L363-Y461 WeakPolarHBondContact CA-OH 3.16Å; L363-Y461 WeakPolarHBondContact CB-OH 3.44Å; L363-Y461 PolarHBondContact O-OH 3.39Å; V366-Y461 HydrophobicContact CG2-CE1 4.47Å; E367-Y461 HydrophobicContact CB-CD1 4.46Å; E367-Y461 HydrophobicContact CB-CE1 4.17Å; P371-Y461 HydrophobicContact CG-CD1 4.07Å; P371-Y461 HydrophobicContact CG-CG 4Å; V374-Y461 HydrophobicContact CB-CD2 3.72Å; V374-Y461 HydrophobicContact CB-CE2 3.51Å; V374-Y461 HydrophobicContact CG1-CE2 4.01Å; V374-Y461 HydrophobicContact CG2-CD1 4.3Å; V374-Y461 HydrophobicContact CG2-CD2 3.34Å; V374-Y461 HydrophobicContact CG2-CE1 4.33Å; V374-Y461 HydrophobicContact CG2-CE2 3.38Å; V374-Y461 HydrophobicContact CG2-CG 3.83Å; N398-Y461 PolarHBondContact ND2-O 3.49Å; T458-Y461 HydrophobicContact CG2-CE2 3.87Å; T458-Y461 PolarHBondContact O-N 3.16Å; Y461-W463 HydrophobicContact CD2-CB 3.98Å; Y461-W463 HydrophobicContact CE2-CB 3.88Å; Y461-W463 HydrophobicContact CE2-CG 4.35Å; Y461-W463 PolarHBondContact O-N 2.67Å
462N98.7Very high98.3Very high58 Ų5824 Ų2431%0.3111%0.105SC..  trans-71.1126173.3-61.8-40.2000109.3E372 A373 V374 H399 L402E372-N462 PolarHBondContact O-ND2 2.92Å; A373-N462 CarbonylContact C-O 3.58Å; A373-N462 WeakPolarHBondContact CA-O 3.48Å; V374-N462 PolarHBondContact N-O 3.36Å; H399-N462 HydrophobicContact CB-CB 4.01Å; H399-N462 VanDerWaalsContact CG-OD1 3.28Å; H399-N462 PolarHBondContact ND1-OD1 3.35Å; L402-N462 HydrophobicContact CD2-CB 4.34Å
463W98.8Very high98.3Very high0 Ų025.7 Ų25.70%011%0.111CC..EExtended strand (participates in β ladder)trans-135.6142.6-171.8169.374000113V374 D376 A397 N398 L422 G451 L454 T458 Y461 H465V374-W463 CarbonylContact O-C 3.57Å; V374-W463 VanDerWaalsContact O-CA 3.27Å; V374-W463 WeakPolarHBondContact O-CA 3.33Å; D376-W463 WeakPolarHBondContact OD2-CZ2 3.49Å; D376-W463 PolarHBondContact OD2-NE1 3.4Å; A397-W463 VanDerWaalsContact CA-O 3.24Å; A397-W463 WeakPolarHBondContact CA-O 3.33Å; A397-W463 WeakPolarHBondContact CB-O 3.39Å; N398-W463 HydrophobicContact CB-CE3 4.33Å; N398-W463 PolarHBondContact N-O 2.64Å; N398-W463 PolarHBondContact OD1-N 3.15Å; N398-W463 PolarHBondContact OD1-O 3.12Å; L422-W463 HydrophobicContact CD1-CZ3 3.82Å; G451-W463 WeakPolarHBondContact O-CH2 3.48Å; L454-W463 HydrophobicContact CB-CH2 3.82Å; L454-W463 HydrophobicContact CB-CZ2 3.55Å; L454-W463 HydrophobicContact CD1-CZ2 4.26Å; T458-W463 HydrophobicContact CG2-CB 4.17Å; T458-W463 HydrophobicContact CG2-CD2 3.72Å; T458-W463 HydrophobicContact CG2-CE3 4.42Å; T458-W463 HydrophobicContact CG2-CG 3.58Å; Y461-W463 HydrophobicContact CD2-CB 3.98Å; Y461-W463 HydrophobicContact CE2-CB 3.88Å; Y461-W463 HydrophobicContact CE2-CG 4.35Å; Y461-W463 PolarHBondContact O-N 2.67Å; W463-H465 HydrophobicContact CH2-CB 3.83Å; W463-H465 HydrophobicContact CZ2-CB 3.39Å
464A98.9Very high98.3Very high0 Ų032.1 Ų32.10%014%0.135CC..EExtended strand (participates in β ladder)trans-135.8146167.400000111.3V374 I375 D376 L395 M396 A397 L402 L406V374-A464 PolarHBondContact O-N 2.67Å; I375-A464 CarbonylContact C-O 3.59Å; I375-A464 VanDerWaalsContact CA-O 3.26Å; I375-A464 WeakPolarHBondContact CA-O 3.49Å; I375-A464 HydrophobicContact CG1-CB 4.47Å; D376-A464 PolarHBondContact N-O 3.39Å; L395-A464 HydrophobicContact CD1-CB 3.93Å; M396-A464 CarbonylContact O-C 3.56Å; M396-A464 VanDerWaalsContact O-CA 3.24Å; M396-A464 WeakPolarHBondContact O-CA 3.32Å; A397-A464 HydrophobicContact CB-CB 3.92Å; L402-A464 HydrophobicContact CD2-CB 3.85Å; L402-A464 HydrophobicContact CG-CB 4.13Å; L406-A464 HydrophobicContact CD1-CB 3.42Å; L406-A464 VanDerWaalsContact CD1-CB 3.42Å
465H98.9Very high98.1Very high0 Ų034.9 Ų34.90%016%0.155CC..EExtended strand (participates in β ladder)trans-115.3133.7173.617064.2000110.4D376 L380 L395 M396 W463D376-H465 IonicContact OD1-CE1 3.71Å; D376-H465 IonicContact OD1-CG 2.8Å; D376-H465 IonicContact OD1-ND1 3.09Å; D376-H465 PolarHBondContact OD1-ND1 2.8Å; D376-H465 WeakPolarHBondContact OD2-CB 3.48Å; D376-H465 IonicContact OD2-CG 2.99Å; D376-H465 IonicContact OD2-ND1 3.89Å; L380-H465 WeakPolarHBondContact CD2-NE2 3.48Å; L395-H465 WeakPolarHBondContact CA-O 3.14Å; M396-H465 PolarHBondContact N-O 2.71Å; M396-H465 PolarHBondContact O-N 3.19Å; W463-H465 HydrophobicContact CH2-CB 3.83Å; W463-H465 HydrophobicContact CZ2-CB 3.39Å
466L98.9Very high98Very high0 Ų036.7 Ų36.70%018%0.176CC..EExtended strand (participates in β ladder)trans-110.5102.8172.5-64.7177.5000109.8I375 D376 V377 A378 T393 G394 L395 I468 P485 L488 L489I375-L466 HydrophobicContact CG2-CD1 4.01Å; I375-L466 HydrophobicContact CG2-CG 4.22Å; D376-L466 PolarHBondContact O-N 3.34Å; V377-L466 HydrophobicContact CG2-CD1 4.41Å; A378-L466 PolarHBondContact N-O 3.25Å; T393-L466 HydrophobicContact CG2-CB 3.92Å; T393-L466 HydrophobicContact CG2-CD2 3.96Å; T393-L466 HydrophobicContact CG2-CG 4.48Å; G394-L466 CarbonylContact O-C 3.51Å; G394-L466 WeakPolarHBondContact O-CA 3.47Å; L395-L466 HydrophobicContact CB-CD2 4.16Å; L395-L466 HydrophobicContact CD1-CD2 3.77Å; L466-I468 HydrophobicContact CB-CG2 4.21Å; L466-I468 PolarHBondContact O-N 3.48Å; L466-P485 HydrophobicContact CD1-CG 3.98Å; L466-L488 HydrophobicContact CD1-CD1 4.48Å; L466-L488 HydrophobicContact CD1-CD2 4.48Å; L466-L489 HydrophobicContact CD1-CD2 3.9Å; L466-L489 HydrophobicContact CD1-CG 4.3Å
467D98.9Very high97.8Very high0 Ų045.7 Ų45.70%022%0.216CC..EExtended strand (participates in β ladder)trans-80.2103.9169.5-167-22.2000109.3A378 L380 T381 C384 T393 G394 A469A378-D467 WeakPolarHBondContact O-CA 3.41Å; L380-D467 PolarHBondContact N-OD1 3.05Å; T381-D467 WeakPolarHBondContact CB-OD2 3.35Å; T381-D467 PolarHBondContact N-OD1 3.3Å; T381-D467 PolarHBondContact N-OD2 3.37Å; T381-D467 VanDerWaalsContact N-OD2 3.11Å; T381-D467 PolarHBondContact OG1-OD2 2.75Å; C384-D467 HydrophobicContact CB-CB 4.11Å; C384-D467 VanDerWaalsContact CB-CG 3.47Å; C384-D467 WeakPolarHBondContact CB-OD2 3.46Å; T393-D467 WeakPolarHBondContact CG2-O 3.29Å; G394-D467 PolarHBondContact N-O 3.27Å; G394-D467 PolarHBondContact O-N 3.25Å; D467-A469 VanDerWaalsContact OD1-CB 3.25Å; D467-A469 WeakPolarHBondContact OD1-CB 3.3Å; D467-A469 PolarHBondContact OD1-N 3.38Å
468I98.8Very high97.5Very high0 Ų048.1 Ų48.10%024%0.239CC..  trans-102.410.5-17563.8159.8000112C295 V377 A378 T379 T393 L466 G470 T471 A472 P485C295-I468 HydrophobicContact CB-CD1 4.18Å; V377-I468 HydrophobicContact CG1-CD1 3.69Å; V377-I468 HydrophobicContact CG1-CG1 4.05Å; V377-I468 HydrophobicContact CG1-CG2 3.92Å; A378-I468 VanDerWaalsContact C-CG1 3.49Å; A378-I468 WeakPolarHBondContact O-CG1 3.42Å; A378-I468 PolarHBondContact O-N 3.22Å; T379-I468 HydrophobicContact CG2-CD1 4.27Å; T379-I468 HydrophobicContact CG2-CG1 4.02Å; T393-I468 HydrophobicContact CG2-CG2 3.54Å; L466-I468 HydrophobicContact CB-CG2 4.21Å; L466-I468 PolarHBondContact O-N 3.48Å; I468-G470 PolarHBondContact O-N 3.16Å; I468-G470 VanDerWaalsContact O-N 3.12Å; I468-T471 WeakPolarHBondContact CA-OG1 3.48Å; I468-T471 PolarHBondContact O-N 2.91Å; I468-T471 PolarHBondContact O-OG1 3.24Å; I468-A472 HydrophobicContact CB-CB 4.43Å; I468-A472 HydrophobicContact CD1-CB 3.83Å; I468-A472 HydrophobicContact CG1-CB 4.1Å; I468-A472 WeakPolarHBondContact O-CB 3.42Å; I468-A472 PolarHBondContact O-N 2.84Å; I468-P485 HydrophobicContact CG2-CB 4.33Å; I468-P485 HydrophobicContact CG2-CG 3.78Å
469A98.4Very high97.4Very high7 Ų752.1 Ų52.16%0.05826%0.256CS..THydrogen-bonded Turntrans-53-38.7-176.900000112.6T381 V385 D467 W473T381-A469 VanDerWaalsContact O-CB 3.31Å; T381-A469 WeakPolarHBondContact O-CB 3.23Å; V385-A469 HydrophobicContact CG2-CB 3.8Å; D467-A469 VanDerWaalsContact OD1-CB 3.25Å; D467-A469 WeakPolarHBondContact OD1-CB 3.3Å; D467-A469 PolarHBondContact OD1-N 3.38Å; A469-W473 WeakPolarHBondContact O-CH2 3.43Å; A469-W473 WeakPolarHBondContact O-CZ3 3.48Å
470G97.7Very high97.5Very high2 Ų243.2 Ų43.22%0.02123%0.226CC..THydrogen-bonded Turntrans-74.2-26.7177.500000113.6H390 I468H390-G470 WeakPolarHBondContact CA-O 3.43Å; H390-G470 WeakPolarHBondContact CB-O 2.99Å; H390-G470 PolarHBondContact ND1-O 2.78Å; I468-G470 PolarHBondContact O-N 3.16Å; I468-G470 VanDerWaalsContact O-N 3.12Å
471T98.7Very high97.6Very high3 Ų336.4 Ų36.42%0.01820%0.197CC..THydrogen-bonded Turntrans-111.2-16-164.4580000114.2T393 I468 T482 R484T393-T471 PolarHBondContact OG1-OG1 3.07Å; I468-T471 WeakPolarHBondContact CA-OG1 3.48Å; I468-T471 PolarHBondContact O-N 2.91Å; I468-T471 PolarHBondContact O-OG1 3.24Å; T471-T482 WeakPolarHBondContact O-CB 3.38Å; T471-T482 VanDerWaalsContact O-CG2 3.31Å; T471-T482 WeakPolarHBondContact O-CG2 3.37Å; T471-T482 PolarHBondContact O-OG1 2.91Å; T471-R484 VanDerWaalsContact CB-CZ 3.48Å
472A98.6Very high97.6Very high0 Ų036.4 Ų36.40%020%0.199CC..SBendtrans-68.7-33-173.600000114.6C295 T379 I468 A481 T482C295-A472 HydrophobicContact CB-CB 3.68Å; T379-A472 HydrophobicContact CG2-CB 3.52Å; I468-A472 HydrophobicContact CB-CB 4.43Å; I468-A472 HydrophobicContact CD1-CB 3.83Å; I468-A472 HydrophobicContact CG1-CB 4.1Å; I468-A472 WeakPolarHBondContact O-CB 3.42Å; I468-A472 PolarHBondContact O-N 2.84Å; A472-A481 WeakPolarHBondContact O-CA 3.4Å; A472-T482 PolarHBondContact O-N 3.47Å; A472-T482 PolarHBondContact O-OG1 3.29Å; A472-T482 VanDerWaalsContact O-OG1 3.05Å
473W98.4Very high97.6Very high37 Ų3733.9 Ų33.914%0.1419%0.187CC..EExtended strand (participates in β ladder)trans-142.1169.217777.5103.1000112.1E289 Y292 T379 A469 S475 G480E289-W473 PolarHBondContact OE2-NE1 3.02Å; Y292-W473 HydrophobicContact CD1-CB 4Å; Y292-W473 HydrophobicContact CD2-CB 3.71Å; Y292-W473 AromaticContact CD2-CD1 3.38Å; Y292-W473 AromaticContact CD2-CD2 3.94Å; Y292-W473 HydrophobicContact CD2-CD2 3.94Å; Y292-W473 AromaticContact CD2-CG 3.4Å; Y292-W473 HydrophobicContact CD2-CG 3.4Å; Y292-W473 VanDerWaalsContact CD2-CG 3.4Å; Y292-W473 AromaticContact CD2-NE1 3.92Å; Y292-W473 HydrophobicContact CE1-CB 4.41Å; Y292-W473 HydrophobicContact CE2-CB 4.16Å; Y292-W473 AromaticContact CE2-CD1 3.7Å; Y292-W473 HydrophobicContact CE2-CG 4.03Å; Y292-W473 HydrophobicContact CG-CB 3.66Å; Y292-W473 HydrophobicContact CG-CD2 4.16Å; Y292-W473 AromaticContact CG-CG 3.74Å; Y292-W473 HydrophobicContact CG-CG 3.74Å; T379-W473 HydrophobicContact CG2-CE3 4.46Å; T379-W473 HydrophobicContact CG2-CZ3 4.01Å; A469-W473 WeakPolarHBondContact O-CH2 3.43Å; A469-W473 WeakPolarHBondContact O-CZ3 3.48Å; W473-S475 PolarHBondContact NE1-OG 3.25Å; W473-G480 CarbonylContact C-O 3.58Å; W473-G480 WeakPolarHBondContact CA-O 3.28Å; W473-G480 WeakPolarHBondContact CB-O 3.38Å
474R97.6Very high97.6Very high135 Ų13536 Ų3651%0.50920%0.195SC..EExtended strand (participates in β ladder)trans-112150168-63.1174.8-174.41595.9108.6A478 K479 G480 T482R474-A478 WeakPolarHBondContact CB-O 3.32Å; R474-K479 WeakPolarHBondContact O-CA 3.47Å; R474-G480 PolarHBondContact N-O 3.25Å; R474-G480 PolarHBondContact O-N 3.35Å; R474-G480 VanDerWaalsContact O-N 3.08Å; R474-T482 HydrophobicContact CG-CG2 4.02Å
475S95.4Very high97.6Very high58 Ų5836 Ų3641%0.40620%0.195SC..  trans-106178.8173.1-49.50000111.3E289 W473E289-S475 VanDerWaalsContact OE1-CB 3.29Å; E289-S475 WeakPolarHBondContact OE1-CB 3.41Å; E289-S475 PolarHBondContact OE1-OG 3.08Å; E289-S475 PolarHBondContact OE2-OG 2.72Å; W473-S475 PolarHBondContact NE1-OG 3.25Å
476G94.2Very high97.6Very high56 Ų5636 Ų3658%0.57720%0.195SC*.G310 helixtrans71.4-144.6176.500000114.2A478 K479G476-A478 PolarHBondContact O-N 2.95Å; G476-K479 VanDerWaalsContact O-CB 3.24Å; G476-K479 WeakPolarHBondContact O-CB 3.2Å; G476-K479 PolarHBondContact O-N 3.04Å; G476-K479 VanDerWaalsContact O-N 3.12Å
477K93.4Very high97.6Very high229 Ų22936.5 Ų36.5100%0.99620%0.198SC*.G310 helixtrans-63.4-27.8-174.8-71-173.1178.6-1790113.9K479K477-K479 VanDerWaalsContact C-N 3.34Å
478A93.4Very high97.5Very high64 Ų6436.5 Ų36.553%0.52920%0.198SC..G310 helixtrans-99.726.5178.800000111.9R474 G476 G480R474-A478 WeakPolarHBondContact CB-O 3.32Å; G476-A478 PolarHBondContact O-N 2.95Å; A478-G480 PolarHBondContact O-N 2.86Å
479K96.6Very high97.6Very high83 Ų8336.5 Ų36.536%0.36120%0.198SC..  trans-52.4127.2-176.4178.8178.6-63.3-157.90111.5D288 E289 Y292 R474 G476 K477D288-K479 IonicContact OD1-NZ 3.56Å; D288-K479 PolarHBondContact OD1-NZ 3.42Å; D288-K479 IonicContact OD2-NZ 2.73Å; D288-K479 PolarHBondContact OD2-NZ 3.04Å; E289-K479 HydrophobicContact CG-CD 4.34Å; E289-K479 WeakPolarHBondContact OE1-CE 3.28Å; E289-K479 IonicContact OE1-NZ 2.72Å; E289-K479 PolarHBondContact OE1-NZ 3.21Å; E289-K479 VanDerWaalsContact OE1-NZ 3.13Å; Y292-K479 HydrophobicContact CE2-CG 4.25Å; R474-K479 WeakPolarHBondContact O-CA 3.47Å; G476-K479 VanDerWaalsContact O-CB 3.24Å; G476-K479 WeakPolarHBondContact O-CB 3.2Å; G476-K479 PolarHBondContact O-N 3.04Å; G476-K479 VanDerWaalsContact O-N 3.12Å; K477-K479 VanDerWaalsContact C-N 3.34Å
480G98Very high97.6Very high9 Ų936.1 Ų36.19%0.09320%0.196CC..EExtended strand (participates in β ladder)trans160157.8178.100000113.8N192 Y292 W473 R474 A478N192-G480 WeakPolarHBondContact OD1-CA 3.39Å; Y292-G480 WeakPolarHBondContact OH-CA 3.4Å; W473-G480 CarbonylContact C-O 3.58Å; W473-G480 WeakPolarHBondContact CA-O 3.28Å; W473-G480 WeakPolarHBondContact CB-O 3.38Å; R474-G480 PolarHBondContact N-O 3.25Å; R474-G480 PolarHBondContact O-N 3.35Å; R474-G480 VanDerWaalsContact O-N 3.08Å; A478-G480 PolarHBondContact O-N 2.86Å
481A98.6Very high97.6Very high6 Ų636.3 Ų36.35%0.0520%0.196CC..EExtended strand (participates in β ladder)trans-60.8143.5173.400000111.1K188 N192 Y292 A472K188-A481 WeakPolarHBondContact CE-O 3.43Å; N192-A481 PolarHBondContact OD1-N 2.85Å; Y292-A481 HydrophobicContact CD1-CB 4.13Å; Y292-A481 HydrophobicContact CE1-CB 4.15Å; A472-A481 WeakPolarHBondContact O-CA 3.4Å
482T98.5Very high97.6Very high17 Ų1736.3 Ų36.310%0.10420%0.196CC..  trans-92.3-20.617863.80000112.7T471 A472 R474 R484T471-T482 WeakPolarHBondContact O-CB 3.38Å; T471-T482 VanDerWaalsContact O-CG2 3.31Å; T471-T482 WeakPolarHBondContact O-CG2 3.37Å; T471-T482 PolarHBondContact O-OG1 2.91Å; A472-T482 PolarHBondContact O-N 3.47Å; A472-T482 PolarHBondContact O-OG1 3.29Å; A472-T482 VanDerWaalsContact O-OG1 3.05Å; R474-T482 HydrophobicContact CG-CG2 4.02Å; T482-R484 WeakPolarHBondContact OG1-CB 3.43Å; T482-R484 WeakPolarHBondContact OG1-CG 3.48Å; T482-R484 PolarHBondContact OG1-N 2.89Å
483G98.5Very high97.6Very high6 Ų636.3 Ų36.36%0.06220%0.196CC..  trans75.110.9-171.500000113.8V486G483-V486 VanDerWaalsContact O-CB 3.25Å; G483-V486 WeakPolarHBondContact O-CB 3.31Å; G483-V486 WeakPolarHBondContact O-CG2 3.47Å; G483-V486 PolarHBondContact O-N 3.33Å; G483-V486 VanDerWaalsContact O-N 3.15Å
484R98.7Very high97.6Very high45 Ų4534.5 Ų34.517%0.1719%0.189CC..THydrogen-bonded Turntrans-77.9144.3174.8-62.7175.667.4-171.51.4110.2H391 D415 R416 T471 T482H391-R484 PolarHBondContact O-NH1 2.81Å; H391-R484 VanDerWaalsContact O-NH1 3.11Å; H391-R484 PolarHBondContact O-NH2 3.16Å; H391-R484 VanDerWaalsContact O-NH2 3.1Å; D415-R484 IonicContact OD1-CZ 2.65Å; D415-R484 IonicContact OD1-NE 2.78Å; D415-R484 PolarHBondContact OD1-NE 3.4Å; D415-R484 IonicContact OD1-NH2 3.75Å; D415-R484 PolarHBondContact OD1-NH2 3.32Å; D415-R484 IonicContact OD2-NE 2.65Å; R416-R484 PolarHBondContact O-NH2 3.1Å; T471-R484 VanDerWaalsContact CB-CZ 3.48Å; T482-R484 WeakPolarHBondContact OG1-CB 3.43Å; T482-R484 WeakPolarHBondContact OG1-CG 3.48Å; T482-R484 PolarHBondContact OG1-N 2.89Å
485P98.7Very high97.6Very high0 Ų030.1 Ų30.10%018%0.176CC..THydrogen-bonded Turncis-104.141.38.640.5-33.5000112.9V377 D415 L466 I468 A487 L488 L489V377-P485 HydrophobicContact CG1-CG 3.76Å; D415-P485 WeakPolarHBondContact OD2-CA 3.24Å; L466-P485 HydrophobicContact CD1-CG 3.98Å; I468-P485 HydrophobicContact CG2-CB 4.33Å; I468-P485 HydrophobicContact CG2-CG 3.78Å; P485-A487 PolarHBondContact O-N 2.87Å; P485-L488 HydrophobicContact CB-CB 4.14Å; P485-L488 HydrophobicContact CB-CD1 4.5Å; P485-L488 WeakPolarHBondContact O-CB 3.48Å; P485-L488 PolarHBondContact O-N 3.49Å; P485-L488 VanDerWaalsContact O-N 3.12Å; P485-L489 HydrophobicContact CG-CD1 4.14Å; P485-L489 HydrophobicContact CG-CG 4.41Å; P485-L489 PolarHBondContact O-N 3.26Å
486V98.9Very high97.7Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-54.6-40.5-177.1173.10000111.6I184 A187 A299 V303 G483 L489 A490I184-V486 HydrophobicContact CG1-CB 3.83Å; I184-V486 HydrophobicContact CG1-CG1 3.83Å; A187-V486 HydrophobicContact CB-CG2 3.89Å; A299-V486 HydrophobicContact CB-CG2 3.97Å; A299-V486 WeakPolarHBondContact O-CG2 3.36Å; V303-V486 HydrophobicContact CG2-CB 4.3Å; V303-V486 HydrophobicContact CG2-CG1 4.05Å; V303-V486 HydrophobicContact CG2-CG2 4.3Å; G483-V486 VanDerWaalsContact O-CB 3.25Å; G483-V486 WeakPolarHBondContact O-CB 3.31Å; G483-V486 WeakPolarHBondContact O-CG2 3.47Å; G483-V486 PolarHBondContact O-N 3.33Å; G483-V486 VanDerWaalsContact O-N 3.15Å; V486-L489 PolarHBondContact O-N 3.42Å; V486-A490 WeakPolarHBondContact O-CB 3.06Å; V486-A490 PolarHBondContact O-N 2.95Å
487A98.6Very high97.8Very high9 Ų928.9 Ų28.97%0.07415%0.148CC..Hα-helixtrans-65.5-40.1-179.800000112.7I184 S413 D415 P485 Q491I184-A487 HydrophobicContact CD1-CB 4.29Å; S413-A487 WeakPolarHBondContact CB-O 3.5Å; D415-A487 HydrophobicContact CB-CB 4.01Å; P485-A487 PolarHBondContact O-N 2.87Å; A487-Q491 WeakPolarHBondContact O-CB 3.23Å; A487-Q491 PolarHBondContact O-N 3.16Å
488L98.8Very high97.8Very high0 Ų020.4 Ų20.40%013%0.125CC..Hα-helixtrans-62.1-55.1174.6-174.6173.4000110.1L406 A409 D415 A417 L466 P485 A490 Q491 F492L406-L488 HydrophobicContact CD2-CD2 3.73Å; A409-L488 HydrophobicContact CB-CD2 4.43Å; D415-L488 HydrophobicContact CB-CB 4.1Å; A417-L488 HydrophobicContact CB-CD1 3.94Å; L466-L488 HydrophobicContact CD1-CD1 4.48Å; L466-L488 HydrophobicContact CD1-CD2 4.48Å; P485-L488 HydrophobicContact CB-CB 4.14Å; P485-L488 HydrophobicContact CB-CD1 4.5Å; P485-L488 WeakPolarHBondContact O-CB 3.48Å; P485-L488 PolarHBondContact O-N 3.49Å; P485-L488 VanDerWaalsContact O-N 3.12Å; L488-A490 VanDerWaalsContact C-N 3.33Å; L488-A490 PolarHBondContact O-N 3.24Å; L488-Q491 WeakPolarHBondContact O-CB 3.48Å; L488-Q491 PolarHBondContact O-N 3.48Å; L488-Q491 VanDerWaalsContact O-N 3.16Å; L488-F492 PolarHBondContact O-N 2.74Å
489L98.9Very high97.7Very high0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-65.7-37.6-175.8-69.9174.8000112L267 V303 I375 V377 L406 L466 P485 V486 F492 L493L267-L489 HydrophobicContact CD2-CD2 4.34Å; V303-L489 HydrophobicContact CG1-CB 4.4Å; V303-L489 HydrophobicContact CG2-CB 3.62Å; V303-L489 HydrophobicContact CG2-CD1 4.07Å; I375-L489 HydrophobicContact CD1-CD2 4.23Å; I375-L489 HydrophobicContact CG2-CD2 3.91Å; V377-L489 HydrophobicContact CG2-CD1 3.69Å; L406-L489 HydrophobicContact CD2-CD2 4.41Å; L466-L489 HydrophobicContact CD1-CD2 3.9Å; L466-L489 HydrophobicContact CD1-CG 4.3Å; P485-L489 HydrophobicContact CG-CD1 4.14Å; P485-L489 HydrophobicContact CG-CG 4.41Å; P485-L489 PolarHBondContact O-N 3.26Å; V486-L489 PolarHBondContact O-N 3.42Å; L489-F492 WeakPolarHBondContact O-CB 3.42Å; L489-F492 PolarHBondContact O-N 3.05Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.83Å
490A98.7Very high96.7Very high0 Ų019.5 Ų19.50%011%0.112CC..Hα-helixtrans-61.7-44.4173.100000111.8I180 M306 V486 L488 F492 L493 L494I180-A490 HydrophobicContact CD1-CB 3.99Å; I180-A490 HydrophobicContact CG1-CB 3.73Å; I180-A490 HydrophobicContact CG2-CB 4.49Å; M306-A490 HydrophobicContact CE-CB 3.52Å; M306-A490 HydrophobicContact CG-CB 4.42Å; M306-A490 HydrophobicContact SD-CB 4.26Å; V486-A490 WeakPolarHBondContact O-CB 3.06Å; V486-A490 PolarHBondContact O-N 2.95Å; L488-A490 VanDerWaalsContact C-N 3.33Å; L488-A490 PolarHBondContact O-N 3.24Å; A490-F492 VanDerWaalsContact C-N 3.34Å; A490-F492 PolarHBondContact O-N 3.4Å; A490-L493 PolarHBondContact O-N 2.92Å; A490-L494 WeakPolarHBondContact O-CB 3.37Å; A490-L494 VanDerWaalsContact O-CG 3.27Å; A490-L494 WeakPolarHBondContact O-CG 3.48Å; A490-L494 PolarHBondContact O-N 3.42Å
491Q98.6Very high95.2Very high6 Ų619.5 Ų19.53%0.02811%0.113CC..Hα-helixtrans-62.7-42175.7-176.962.455.300112A409 Q412 A487 L488 L494 N495A409-Q491 HydrophobicContact CB-CB 4.12Å; A409-Q491 HydrophobicContact CB-CG 3.98Å; Q412-Q491 HydrophobicContact CB-CG 3.7Å; Q412-Q491 VanDerWaalsContact OE1-CG 3.26Å; Q412-Q491 VanDerWaalsContact OE1-NE2 3.11Å; A487-Q491 WeakPolarHBondContact O-CB 3.23Å; A487-Q491 PolarHBondContact O-N 3.16Å; L488-Q491 WeakPolarHBondContact O-CB 3.48Å; L488-Q491 PolarHBondContact O-N 3.48Å; L488-Q491 VanDerWaalsContact O-N 3.16Å; Q491-L494 PolarHBondContact O-N 3.39Å; Q491-N495 PolarHBondContact NE2-OD1 3.37Å; Q491-N495 PolarHBondContact O-N 3.41Å; Q491-N495 PolarHBondContact O-ND2 3.25Å; Q491-N495 PolarHBondContact O-OD1 2.93Å
492F98.8Very high93.3Very high2 Ų226.6 Ų26.61%0.00915%0.145CC..Hα-helixtrans-58.2-48.5175.8168-99.6000111.5I265 I375 L402 E405 L406 A409 L488 L489 A490 N495 R496I265-F492 HydrophobicContact CD1-CE1 4.09Å; I265-F492 HydrophobicContact CD1-CZ 4.47Å; I265-F492 HydrophobicContact CG2-CE1 4.12Å; I375-F492 HydrophobicContact CD1-CD1 3.8Å; I375-F492 HydrophobicContact CD1-CE1 3.4Å; I375-F492 VanDerWaalsContact CD1-CE1 3.4Å; I375-F492 HydrophobicContact CD1-CZ 3.86Å; L402-F492 HydrophobicContact CD1-CE2 3.91Å; L402-F492 HydrophobicContact CD1-CZ 3.82Å; E405-F492 HydrophobicContact CB-CD2 4.12Å; E405-F492 HydrophobicContact CB-CE2 3.9Å; E405-F492 VanDerWaalsContact OE2-CE2 3.32Å; E405-F492 WeakPolarHBondContact OE2-CE2 3.27Å; L406-F492 HydrophobicContact CD2-CB 4.22Å; L406-F492 HydrophobicContact CD2-CD1 4.43Å; L406-F492 HydrophobicContact CD2-CD2 3.83Å; L406-F492 HydrophobicContact CD2-CE2 4.31Å; L406-F492 HydrophobicContact CD2-CG 3.89Å; L406-F492 HydrophobicContact CG-CD2 4.33Å; A409-F492 HydrophobicContact CB-CB 3.82Å; L488-F492 PolarHBondContact O-N 2.74Å; L489-F492 WeakPolarHBondContact O-CB 3.42Å; L489-F492 PolarHBondContact O-N 3.05Å; A490-F492 VanDerWaalsContact C-N 3.34Å; A490-F492 PolarHBondContact O-N 3.4Å; F492-N495 WeakPolarHBondContact O-CB 3.35Å; F492-N495 PolarHBondContact O-N 3.31Å; F492-R496 HydrophobicContact CE1-CG 4.25Å; F492-R496 HydrophobicContact CE2-CG 4.15Å; F492-R496 HydrophobicContact CZ-CG 3.95Å; F492-R496 PolarHBondContact O-N 3.29Å
493L98.7Very high91Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-67.5-36.7178.3-67.6-178000112.8I265 L267 V303 M306 V307 L312 I314 V316 L489 A490 N495 R496 A497I265-L493 HydrophobicContact CB-CD2 4.34Å; I265-L493 HydrophobicContact CD1-CD2 3.78Å; I265-L493 HydrophobicContact CG2-CD2 4.03Å; L267-L493 HydrophobicContact CD1-CD1 4.26Å; V303-L493 HydrophobicContact CG1-CD1 3.48Å; V303-L493 VanDerWaalsContact CG1-CD1 3.48Å; M306-L493 HydrophobicContact CE-CD1 4.44Å; V307-L493 HydrophobicContact CG2-CD1 3.44Å; V307-L493 VanDerWaalsContact CG2-CD1 3.44Å; L312-L493 HydrophobicContact CD1-CB 4.14Å; I314-L493 HydrophobicContact CD1-CB 4.19Å; I314-L493 HydrophobicContact CD1-CD2 3.98Å; V316-L493 HydrophobicContact CG1-CD1 4.29Å; V316-L493 HydrophobicContact CG2-CD1 4.33Å; V316-L493 HydrophobicContact CG2-CD2 4.34Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.83Å; A490-L493 PolarHBondContact O-N 2.92Å; L493-N495 VanDerWaalsContact C-N 3.34Å; L493-R496 PolarHBondContact O-N 3.31Å; L493-A497 VanDerWaalsContact O-CB 3.24Å; L493-A497 WeakPolarHBondContact O-CB 3.16Å; L493-A497 PolarHBondContact O-N 3.49Å
494L98.3Very high90.6Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-60.4-44.2172.3-76.2172.5000111.1I180 L310 L312 A490 Q491 R496 A497 G498 F499I180-L494 HydrophobicContact CD1-CD1 4Å; L310-L494 HydrophobicContact CD1-CD2 3.94Å; L312-L494 HydrophobicContact CD2-CD2 3.87Å; A490-L494 WeakPolarHBondContact O-CB 3.37Å; A490-L494 VanDerWaalsContact O-CG 3.27Å; A490-L494 WeakPolarHBondContact O-CG 3.48Å; A490-L494 PolarHBondContact O-N 3.42Å; Q491-L494 PolarHBondContact O-N 3.39Å; L494-R496 PolarHBondContact O-N 2.86Å; L494-A497 CarbonylContact O-C 3.6Å; L494-A497 PolarHBondContact O-N 3.17Å; L494-G498 PolarHBondContact O-N 2.97Å; L494-F499 HydrophobicContact CB-CB 4.22Å; L494-F499 HydrophobicContact CD2-CB 3.97Å; L494-F499 HydrophobicContact CD2-CD2 3.98Å; L494-F499 HydrophobicContact CD2-CG 4.36Å; L494-F499 WeakPolarHBondContact O-CA 3.37Å; L494-F499 WeakPolarHBondContact O-CB 3.14Å; L494-F499 PolarHBondContact O-N 2.62Å
495N97.8Very high90.2Very high43 Ų4334.1 Ų34.123%0.2318%0.181CC..Hα-helixtrans-60.8-46.2175.9-66.6-13.7000111.3Q412 Q491 F492 L493 A497 G498Q412-N495 PolarHBondContact OE1-ND2 3.46Å; Q412-N495 PolarHBondContact OE1-OD1 3.03Å; Q491-N495 PolarHBondContact NE2-OD1 3.37Å; Q491-N495 PolarHBondContact O-N 3.41Å; Q491-N495 PolarHBondContact O-ND2 3.25Å; Q491-N495 PolarHBondContact O-OD1 2.93Å; F492-N495 WeakPolarHBondContact O-CB 3.35Å; F492-N495 PolarHBondContact O-N 3.31Å; L493-N495 VanDerWaalsContact C-N 3.34Å; N495-A497 PolarHBondContact O-N 3.48Å; N495-G498 PolarHBondContact O-N 2.85Å; N495-G498 VanDerWaalsContact O-N 3.08Å
496R96.9Very high89.7Confident73 Ų7336 Ų3628%0.27519%0.191SC..Hα-helixtrans-64.1-28.8176.8-71.8-57.8-160.9117.2-13.4113.4I265 E372 E405 F492 L493 L494 G498I265-R496 HydrophobicContact CD1-CB 4.09Å; I265-R496 HydrophobicContact CD1-CG 3.94Å; E372-R496 IonicContact OE1-CZ 3.52Å; E372-R496 IonicContact OE1-NH1 3.46Å; E372-R496 PolarHBondContact OE1-NH1 3.3Å; E372-R496 IonicContact OE2-NH1 3.72Å; E405-R496 VanDerWaalsContact CD-NH2 3.33Å; E405-R496 IonicContact OE1-CZ 2.69Å; E405-R496 IonicContact OE1-NE 2.69Å; E405-R496 IonicContact OE1-NH2 3.84Å; E405-R496 PolarHBondContact OE1-NH2 3.37Å; E405-R496 VanDerWaalsContact OE1-NH2 3.13Å; E405-R496 IonicContact OE2-CZ 3.52Å; E405-R496 IonicContact OE2-NE 2.8Å; E405-R496 PolarHBondContact OE2-NE 2.9Å; E405-R496 IonicContact OE2-NH2 2.62Å; E405-R496 PolarHBondContact OE2-NH2 3.18Å; F492-R496 HydrophobicContact CE1-CG 4.25Å; F492-R496 HydrophobicContact CE2-CG 4.15Å; F492-R496 HydrophobicContact CZ-CG 3.95Å; F492-R496 PolarHBondContact O-N 3.29Å; L493-R496 PolarHBondContact O-N 3.31Å; L494-R496 PolarHBondContact O-N 2.86Å; R496-G498 VanDerWaalsContact C-N 3.29Å
497A96.3Very high89.1Confident15 Ų1538.1 Ų38.112%0.12420%0.203CC..THydrogen-bonded Turntrans-82.50.817500000114.1L312 P313 I314 L493 L494 N495 F499L312-A497 HydrophobicContact CB-CB 4.41Å; L312-A497 HydrophobicContact CD2-CB 4.45Å; P313-A497 HydrophobicContact CG-CB 4.28Å; I314-A497 HydrophobicContact CD1-CB 4.32Å; I314-A497 HydrophobicContact CG2-CB 4.25Å; L493-A497 VanDerWaalsContact O-CB 3.24Å; L493-A497 WeakPolarHBondContact O-CB 3.16Å; L493-A497 PolarHBondContact O-N 3.49Å; L494-A497 CarbonylContact O-C 3.6Å; L494-A497 PolarHBondContact O-N 3.17Å; N495-A497 PolarHBondContact O-N 3.48Å; A497-F499 HydrophobicContact CB-CD2 3.67Å; A497-F499 HydrophobicContact CB-CE2 3.93Å
498G94.2Very high88.5Confident50 Ų5039.9 Ų39.952%0.51521%0.211SC..THydrogen-bonded Turntrans84.413.9-178.800000114.8L494 N495 R496L494-G498 PolarHBondContact O-N 2.97Å; N495-G498 PolarHBondContact O-N 2.85Å; N495-G498 VanDerWaalsContact O-N 3.08Å; R496-G498 VanDerWaalsContact C-N 3.29Å
499F90.7Very high87.9Confident61 Ų6142.6 Ų42.627%0.26823%0.225SC..  trans-105.955.9179.8-57.3-59.5000112.3L312 P313 L494 A497 G501L312-F499 HydrophobicContact CD2-CD2 4.02Å; L312-F499 HydrophobicContact CD2-CE2 3.9Å; P313-F499 HydrophobicContact CG-CE2 4.34Å; L494-F499 HydrophobicContact CB-CB 4.22Å; L494-F499 HydrophobicContact CD2-CB 3.97Å; L494-F499 HydrophobicContact CD2-CD2 3.98Å; L494-F499 HydrophobicContact CD2-CG 4.36Å; L494-F499 WeakPolarHBondContact O-CA 3.37Å; L494-F499 WeakPolarHBondContact O-CB 3.14Å; L494-F499 PolarHBondContact O-N 2.62Å; A497-F499 HydrophobicContact CB-CD2 3.67Å; A497-F499 HydrophobicContact CB-CE2 3.93Å; F499-G501 PolarHBondContact O-N 3.25Å
500N74.6Confident87.1Confident67 Ų6745.6 Ų45.636%0.35824%0.241SC..  trans-71.4-9.2-176.965.4-2.6000114.6E502N500-E502 VanDerWaalsContact C-N 3.27Å; N500-E502 PolarHBondContact O-N 2.99Å; N500-E502 PolarHBondContact OD1-N 3.2Å
501G66.6Low86.2Confident10 Ų1049.2 Ų49.210%0.10326%0.259CS..SBendtrans7413.3175.700000114.8N121 F499N121-G501 PolarHBondContact ND2-O 2.78Å; F499-G501 PolarHBondContact O-N 3.25Å
502E59.4Low85.2Confident154 Ų15452.8 Ų52.872%0.7228%0.278SS*.  trans-88.1-12.9173.5-67.1-172.9162.100113.2N500N500-E502 VanDerWaalsContact C-N 3.27Å; N500-E502 PolarHBondContact O-N 2.99Å; N500-E502 PolarHBondContact OD1-N 3.2Å
503E49.6Very low83.9Confident158 Ų15857.4 Ų57.474%0.73830%0.303SS*.  trans-720165.1-61.4-177.6168.200111.8R172R172-E503 IonicContact CZ-OE2 3.74Å; R172-E503 IonicContact NH1-OE2 2.79Å; R172-E503 PolarHBondContact NH1-OE2 3.02Å; R172-E503 IonicContact NH2-OE2 3.13Å

Retrieved 503 of 503 residues in 1028.5 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).