A0A087XA93_POEFO Loading...

von Hippel-Lindau disease tumor suppressor

Involved in the ubiquitination and subsequent proteasomal degradation via the von Hippel-Lindau ubiquitination complex. Seems to act as a target recruitment subunit in the E3 ubiquitin ligase complex and recruits hydroxylated hypoxia-inducible factor (HIF) under normoxic conditions. Involved in transcriptional repression through interaction with HIF1A, HIF1AN and histone deacetylases. Ubiquitinates, in an oxygen-responsive manner, ADRB2. Acts as a negative regulator of mTORC1 by promoting ubiquitination and degradation of RPTOR.

AlphaFold DB , UniProt , Accession A0A087XA93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1M38.2Very low60.4Low224 Ų224133.2 Ų133.2100%1.10372%0.723SS**  0115.70-64.3-84.187.900106
2P39.6Very low63.3Low125 Ų125123 Ų12381%0.81267%0.668SS**  trans-68.8134.5179.314-3.6000108.9E4P2-E4 PolarHBondContact O-N 3.25Å
3Q41.5Very low65.9Low195 Ų195119.5 Ų119.591%0.91164%0.639SS**  trans-65.5113.8173.8-68.4172.2-24.300107.8G5Q3-G5 PolarHBondContact O-N 3.34Å
4E45.1Very low68.1Low192 Ų192111.1 Ų111.190%0.89760%0.595SS**  trans-56.5127.3168.2-73.6178.1160.400108.1P2 E6P2-E4 PolarHBondContact O-N 3.25Å; E4-E6 PolarHBondContact O-N 3.23Å
5G44.9Very low69.6Low69 Ų69109.9 Ų109.971%0.71159%0.588SS**  trans-54.5123.9-17400000111.2Q3 E7Q3-G5 PolarHBondContact O-N 3.34Å; G5-E7 VanDerWaalsContact C-N 3.28Å; G5-E7 PolarHBondContact O-N 2.85Å
6E45.4Very low70.9Confident198 Ų198109.6 Ų109.693%0.92560%0.596SS**  trans-6095.8164.4-136.9172.4-164.400106.4E4 S8E4-E6 PolarHBondContact O-N 3.23Å; E6-S8 PolarHBondContact O-N 3.18Å
7E57.4Low72Confident187 Ų187105.8 Ų105.887%0.87458%0.58SS**  trans-58.2106.2174.4-89.2-173.9162.400107.3G5 L9G5-E7 VanDerWaalsContact C-N 3.28Å; G5-E7 PolarHBondContact O-N 2.85Å; E7-L9 PolarHBondContact O-N 2.88Å
8S80.4Confident73Confident109 Ų109103 Ų10376%0.76258%0.579SS**PPolyproline II helixtrans-58.9124.1178.660.10000108.6E6E6-S8 PolarHBondContact O-N 3.18Å
9L86.8Confident74.1Confident100 Ų100102.1 Ų102.152%0.52457%0.572SS.*PPolyproline II helixtrans-55.7140.6178.5-68.5174.3000110.5E7E7-L9 PolarHBondContact O-N 2.88Å
10P92.5Very high75.2Confident35 Ų35100.9 Ų100.923%0.22757%0.569CS.*PPolyproline II helixtrans-59.3147.1-179.925.6-35.8000111V12 R13 N150P10-V12 VanDerWaalsContact C-N 3.32Å; P10-V12 PolarHBondContact O-N 3.5Å; P10-R13 VanDerWaalsContact O-CD 3.22Å; P10-R13 WeakPolarHBondContact O-CD 3.46Å; P10-R13 WeakPolarHBondContact O-CG 3.46Å; P10-N150 WeakPolarHBondContact CB-ND2 3.22Å
11P92.7Very high76.2Confident31 Ų3196.2 Ų96.220%0.20154%0.542CS..SBendtrans-64.1-37.8-176.129.4-40000112.2R13 N150 V153 E154 L157P11-R13 PolarHBondContact O-N 2.73Å; P11-R13 PolarHBondContact O-NH1 3.35Å; P11-N150 WeakPolarHBondContact CD-OD1 3.43Å; P11-N150 HydrophobicContact CG-CB 4.1Å; P11-N150 WeakPolarHBondContact CG-OD1 3.27Å; P11-V153 HydrophobicContact CB-CB 4.32Å; P11-V153 HydrophobicContact CB-CG1 3.72Å; P11-V153 HydrophobicContact CG-CB 4.06Å; P11-V153 HydrophobicContact CG-CG1 4.03Å; P11-E154 WeakPolarHBondContact CD-OE1 3.36Å; P11-E154 HydrophobicContact CG-CG 3.89Å; P11-L157 HydrophobicContact CB-CD1 4.32Å
12V95.6Very high78.9Confident11 Ų1188.9 Ų88.97%0.06751%0.508CS..SBendtrans-83.298.6175.9-175.20000108.8P10 I38 P65 L84 L146 I149 N150 V153P10-V12 VanDerWaalsContact C-N 3.32Å; P10-V12 PolarHBondContact O-N 3.5Å; V12-I38 WeakPolarHBondContact O-CG2 3.23Å; V12-P65 HydrophobicContact CG1-CB 4.12Å; V12-P65 HydrophobicContact CG1-CG 4.17Å; V12-L84 HydrophobicContact CG1-CD2 4.03Å; V12-L146 HydrophobicContact CB-CD1 4.16Å; V12-L146 HydrophobicContact CG1-CD1 3.86Å; V12-I149 HydrophobicContact CG2-CG2 3.71Å; V12-N150 WeakPolarHBondContact CB-OD1 3.5Å; V12-N150 VanDerWaalsContact CG2-OD1 3.23Å; V12-N150 WeakPolarHBondContact CG2-OD1 3.44Å; V12-N150 PolarHBondContact N-OD1 2.94Å; V12-V153 HydrophobicContact CG2-CG2 3.98Å
13R96.6Very high81.7Confident77 Ų7783 Ų8329%0.29147%0.47SS..SBendtrans-156.7165.4175.863.4-172.3-173-39.5-1109.7P10 P11 N39 Y40 P65P10-R13 VanDerWaalsContact O-CD 3.22Å; P10-R13 WeakPolarHBondContact O-CD 3.46Å; P10-R13 WeakPolarHBondContact O-CG 3.46Å; P11-R13 PolarHBondContact O-N 2.73Å; P11-R13 PolarHBondContact O-NH1 3.35Å; R13-N39 WeakPolarHBondContact CB-O 3.38Å; R13-Y40 WeakPolarHBondContact CD-O 3.43Å; R13-P65 WeakPolarHBondContact O-CG 3.41Å
14S96.3Very high84.3Confident3 Ų374.4 Ų74.42%0.02143%0.43CS..  trans-70.9148.3173.1-72.40000112.6W37 I38 N39 Y40 H64 P65S14-W37 PolarHBondContact OG-NE1 3.04Å; S14-I38 WeakPolarHBondContact CB-O 3.46Å; S14-I38 PolarHBondContact N-O 2.73Å; S14-I38 PolarHBondContact OG-O 3.11Å; S14-N39 PolarHBondContact N-O 3.49Å; S14-Y40 WeakPolarHBondContact O-CD1 3.42Å; S14-H64 WeakPolarHBondContact OG-CA 3.19Å; S14-P65 VanDerWaalsContact OG-CD 3.27Å; S14-P65 WeakPolarHBondContact OG-CD 3.45Å
15L91.5Very high86.9Confident93 Ų9365.2 Ų65.249%0.48739%0.387SS..  trans-110.3140.9169.9-58.1179.1000109.3S17 H64L15-S17 PolarHBondContact O-N 3.13Å; L15-H64 PolarHBondContact O-CD2 3.28Å; L15-H64 PolarHBondContact O-NE2 2.92Å
16S89.5Confident89.4Confident104 Ų10463 Ų6373%0.72736%0.36SS*.  trans-80.768.2178.3-175.70000111.1G18S16-G18 VanDerWaalsContact C-N 3.32Å; S16-G18 PolarHBondContact O-N 3.26Å
17S89.6Confident92Very high46 Ų4653.7 Ų53.732%0.32232%0.317SS..  trans-70-27.5179.961.70000113.4L15 I19 V62L15-S17 PolarHBondContact O-N 3.13Å; S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 VanDerWaalsContact O-N 3.16Å; S17-I19 PolarHBondContact OG-N 3.06Å; S17-V62 WeakPolarHBondContact CB-O 3.42Å; S17-V62 PolarHBondContact OG-N 3.48Å; S17-V62 PolarHBondContact OG-O 3.23Å
18G91Very high93.9Very high55 Ų5552 Ų5257%0.56730%0.303SS*.  trans69.21-173.400000114.4S16 P20S16-G18 VanDerWaalsContact C-N 3.32Å; S16-G18 PolarHBondContact O-N 3.26Å; G18-P20 VanDerWaalsContact O-CD 3.31Å; G18-P20 WeakPolarHBondContact O-CD 3.44Å
19I94.1Very high94.8Very high85 Ų8547 Ų4744%0.43627%0.268SS..  trans-95.4107.7-177.6-58.3168.1000108.7S17 Y61 V62S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 VanDerWaalsContact O-N 3.16Å; S17-I19 PolarHBondContact OG-N 3.06Å; I19-Y61 CarbonylContact O-C 3.51Å; I19-Y61 VanDerWaalsContact O-CA 3.26Å; I19-Y61 WeakPolarHBondContact O-CA 3.27Å; I19-V62 HydrophobicContact CB-CB 4.2Å; I19-V62 HydrophobicContact CB-CG2 3.8Å; I19-V62 HydrophobicContact CG2-CG2 3.63Å; I19-V62 PolarHBondContact O-N 2.87Å
20P94.9Very high95.3Very high79 Ų7944.8 Ų44.851%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-71.8147.4-179.130.6-35000111.5G18 T59 T60 Y61G18-P20 VanDerWaalsContact O-CD 3.31Å; G18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-T59 HydrophobicContact CB-CG2 3.88Å; P20-T60 CarbonylContact C-O 3.56Å; P20-T60 WeakPolarHBondContact CA-O 3.46Å; P20-Y61 HydrophobicContact CB-CD1 4.41Å; P20-Y61 HydrophobicContact CB-CE1 4.25Å
21V95.8Very high95.5Very high2 Ų244.5 Ų44.51%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-134.1121175.2-177.70000108.3V23 T60 V62 P87V21-V23 HydrophobicContact CG1-CG1 3.91Å; V21-T60 HydrophobicContact CB-CG2 4.31Å; V21-T60 PolarHBondContact N-O 2.93Å; V21-T60 PolarHBondContact O-N 2.95Å; V21-V62 HydrophobicContact CG2-CG2 3.52Å; V21-P87 HydrophobicContact CB-CB 4.08Å; V21-P87 HydrophobicContact CG1-CB 4.14Å; V21-P87 HydrophobicContact CG2-CB 4.03Å
22N96.4Very high95.8Very high71 Ų7145.4 Ų45.438%0.3827%0.268SS..EExtended strand (participates in β ladder)trans-83.3125.1175.2-66.4-43.5000109.5T59 A94 V95N22-T59 PolarHBondContact OD1-OG1 2.97Å; N22-A94 HydrophobicContact CB-CB 4.25Å; N22-A94 CarbonylContact O-C 3.54Å; N22-A94 VanDerWaalsContact O-CA 3.31Å; N22-A94 WeakPolarHBondContact O-CA 3.45Å; N22-V95 PolarHBondContact O-N 2.93Å
23V97.1Very high95.9Very high2 Ų244.9 Ų44.91%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-127.4151.9-179-57.20000111.2V21 F25 R57 M58 T60 Y85 V95 V97V21-V23 HydrophobicContact CG1-CG1 3.91Å; V23-F25 HydrophobicContact CB-CD1 4.29Å; V23-F25 HydrophobicContact CB-CE1 4.11Å; V23-F25 HydrophobicContact CG2-CD1 3.77Å; V23-F25 HydrophobicContact CG2-CE1 3.42Å; V23-F25 VanDerWaalsContact CG2-CE1 3.42Å; V23-F25 HydrophobicContact CG2-CZ 4.12Å; V23-R57 WeakPolarHBondContact O-CA 3.38Å; V23-M58 HydrophobicContact CG2-CG 3.28Å; V23-M58 HydrophobicContact CG2-SD 4.12Å; V23-M58 PolarHBondContact N-O 3.32Å; V23-M58 PolarHBondContact O-N 3.33Å; V23-T60 HydrophobicContact CG1-CG2 3.89Å; V23-T60 HydrophobicContact CG2-CG2 4.05Å; V23-Y85 HydrophobicContact CG1-CE1 4.1Å; V23-Y85 WeakPolarHBondContact CG1-OH 3.41Å; V23-V95 CarbonylContact C-O 3.58Å; V23-V95 VanDerWaalsContact CA-O 3.3Å; V23-V95 WeakPolarHBondContact CA-O 3.32Å; V23-V95 HydrophobicContact CG1-CB 4.42Å; V23-V97 HydrophobicContact CB-CG2 4.07Å; V23-V97 HydrophobicContact CG1-CG2 4.29Å
24V97.8Very high96Very high13 Ų1344.9 Ų44.98%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-116104.7168.1-1680000107.3C26 R56 R57 A94 V95 V97V24-C26 PolarHBondContact O-N 3.16Å; V24-R56 CarbonylContact C-O 3.57Å; V24-R56 WeakPolarHBondContact CA-O 3.25Å; V24-R57 HydrophobicContact CG1-CG 4.48Å; V24-R57 HydrophobicContact CG2-CG 4.1Å; V24-A94 HydrophobicContact CG2-CB 3.82Å; V24-V95 PolarHBondContact N-O 2.79Å; V24-V97 PolarHBondContact O-N 2.85Å
25F98.3Very high96.1Very high0 Ų044.8 Ų44.80%026%0.264CS..EExtended strand (participates in β ladder)trans-73.7121.1171-71-0.9000108.1V23 P35 M50 G55 R56 M58 W66 F68 Y85 V97 I99V23-F25 HydrophobicContact CB-CD1 4.29Å; V23-F25 HydrophobicContact CB-CE1 4.11Å; V23-F25 HydrophobicContact CG2-CD1 3.77Å; V23-F25 HydrophobicContact CG2-CE1 3.42Å; V23-F25 VanDerWaalsContact CG2-CE1 3.42Å; V23-F25 HydrophobicContact CG2-CZ 4.12Å; F25-P35 HydrophobicContact CD2-CB 4.34Å; F25-P35 HydrophobicContact CD2-CG 4.45Å; F25-P35 HydrophobicContact CE2-CB 4.21Å; F25-M50 HydrophobicContact CB-CE 3.78Å; F25-M50 HydrophobicContact CB-SD 3.87Å; F25-M50 HydrophobicContact CD2-SD 4.41Å; F25-M50 WeakPolarHBondContact O-CE 3.43Å; F25-G55 CarbonylContact O-C 3.57Å; F25-G55 VanDerWaalsContact O-CA 3.24Å; F25-G55 WeakPolarHBondContact O-CA 3.39Å; F25-R56 PolarHBondContact N-O 3.07Å; F25-R56 PolarHBondContact O-N 3.3Å; F25-M58 HydrophobicContact CB-CE 4.29Å; F25-M58 HydrophobicContact CD1-CE 4.48Å; F25-M58 HydrophobicContact CD1-SD 4.3Å; F25-M58 HydrophobicContact CD2-CE 3.06Å; F25-M58 HydrophobicContact CD2-SD 3.48Å; F25-M58 WeakPolarHBondContact CD2-SD 3.5Å; F25-M58 HydrophobicContact CE1-SD 4.02Å; F25-M58 HydrophobicContact CE2-CE 3.35Å; F25-M58 HydrophobicContact CE2-CG 4.48Å; F25-M58 HydrophobicContact CE2-SD 3.08Å; F25-M58 WeakPolarHBondContact CE2-SD 3.31Å; F25-M58 HydrophobicContact CG-CE 3.72Å; F25-M58 HydrophobicContact CG-SD 4.08Å; F25-M58 HydrophobicContact CZ-CE 4.19Å; F25-M58 HydrophobicContact CZ-CG 4.47Å; F25-M58 HydrophobicContact CZ-SD 3.39Å; F25-M58 WeakPolarHBondContact CZ-SD 3.44Å; F25-W66 HydrophobicContact CE2-CD2 4.04Å; F25-W66 AromaticContact CE2-CE3 3.81Å; F25-W66 HydrophobicContact CE2-CE3 3.81Å; F25-W66 HydrophobicContact CE2-CZ3 4.05Å; F25-W66 HydrophobicContact CZ-CB 4.43Å; F25-W66 AromaticContact CZ-CD2 3.76Å; F25-W66 HydrophobicContact CZ-CD2 3.76Å; F25-W66 HydrophobicContact CZ-CE3 4.03Å; F25-W66 AromaticContact CZ-CG 3.95Å; F25-W66 HydrophobicContact CZ-CG 3.95Å; F25-F68 HydrophobicContact CD1-CZ 4.15Å; F25-F68 AromaticContact CD2-CE1 3.41Å; F25-F68 HydrophobicContact CD2-CE1 3.41Å; F25-F68 VanDerWaalsContact CD2-CE1 3.41Å; F25-F68 AromaticContact CD2-CZ 3.69Å; F25-F68 HydrophobicContact CD2-CZ 3.69Å; F25-F68 AromaticContact CE1-CZ 3.95Å; F25-F68 HydrophobicContact CE1-CZ 3.95Å; F25-F68 AromaticContact CE2-CE1 3.55Å; F25-F68 HydrophobicContact CE2-CE1 3.55Å; F25-F68 AromaticContact CE2-CZ 3.5Å; F25-F68 HydrophobicContact CE2-CZ 3.5Å; F25-F68 VanDerWaalsContact CE2-CZ 3.5Å; F25-F68 AromaticContact CG-CE1 3.96Å; F25-F68 HydrophobicContact CG-CE1 3.96Å; F25-F68 HydrophobicContact CG-CZ 4.01Å; F25-F68 HydrophobicContact CZ-CE1 4.2Å; F25-F68 AromaticContact CZ-CZ 3.65Å; F25-F68 HydrophobicContact CZ-CZ 3.65Å; F25-Y85 HydrophobicContact CE1-CD1 4.32Å; F25-Y85 HydrophobicContact CE1-CE1 4.3Å; F25-V97 HydrophobicContact CD1-CB 3.67Å; F25-V97 HydrophobicContact CD1-CG1 3.87Å; F25-V97 HydrophobicContact CD1-CG2 4.03Å; F25-V97 HydrophobicContact CE1-CB 4.09Å; F25-V97 HydrophobicContact CE1-CG1 3.99Å; F25-V97 HydrophobicContact CE1-CG2 4.1Å; F25-I99 HydrophobicContact CB-CD1 4.13Å
26C98.5Very high96.5Very high21 Ų2140.6 Ų40.614%0.14224%0.243CC..EExtended strand (participates in β ladder)trans-113.6103.5-177-61.80000108.6V24 R28 V97 I99V24-C26 PolarHBondContact O-N 3.16Å; C26-R28 HydrophobicContact CB-CG 4.46Å; C26-R28 PolarHBondContact O-N 3.49Å; C26-R28 VanDerWaalsContact O-N 3.12Å; C26-V97 PolarHBondContact N-O 2.77Å; C26-I99 PolarHBondContact O-N 2.98Å
27N98.6Very high96.9Very high4 Ų437.5 Ų37.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-72.1103.8170.6-179.69.1000108.8T29 R31 V33 M50 Q51 P52 F53 S54N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 WeakPolarHBondContact OD1-CB 3.3Å; N27-T29 PolarHBondContact OD1-N 3.16Å; N27-T29 PolarHBondContact OD1-O 3.44Å; N27-T29 PolarHBondContact OD1-OG1 3.29Å; N27-R31 PolarHBondContact ND2-O 3.42Å; N27-V33 HydrophobicContact CB-CG2 4.28Å; N27-V33 VanDerWaalsContact CG-CG2 3.46Å; N27-V33 WeakPolarHBondContact ND2-CG2 3.5Å; N27-V33 WeakPolarHBondContact OD1-CG2 3.46Å; N27-M50 HydrophobicContact CB-CE 4.02Å; N27-Q51 PolarHBondContact ND2-O 2.74Å; N27-P52 WeakPolarHBondContact ND2-CA 3.36Å; N27-F53 CarbonylContact O-C 3.54Å; N27-F53 WeakPolarHBondContact O-CA 3.26Å; N27-F53 PolarHBondContact O-N 3.13Å; N27-S54 WeakPolarHBondContact CB-O 3.44Å; N27-S54 PolarHBondContact N-O 2.75Å
28R98.4Very high97.3Very high151 Ų15135.3 Ų35.357%0.5720%0.2SC*.  trans-95.621.4176.8-59.8-169.5176.9-178.9-4.6112.2C26 N98 I99 T100C26-R28 HydrophobicContact CB-CG 4.46Å; C26-R28 PolarHBondContact O-N 3.49Å; C26-R28 VanDerWaalsContact O-N 3.12Å; R28-N98 PolarHBondContact NE-OD1 3.13Å; R28-N98 VanDerWaalsContact NH2-CG 3.28Å; R28-N98 PolarHBondContact NH2-ND2 2.7Å; R28-N98 PolarHBondContact NH2-OD1 3.02Å; R28-I99 WeakPolarHBondContact CB-O 3.25Å; R28-I99 PolarHBondContact N-O 2.83Å; R28-T100 HydrophobicContact CB-CG2 4.38Å
29T98.1Very high97.6Very high4 Ų434 Ų343%0.02518%0.18CC..SBendtrans-118.1159.2-176.480.60000111N27 R31 P52 F53 L101N27-T29 VanDerWaalsContact C-N 3.28Å; N27-T29 WeakPolarHBondContact OD1-CB 3.3Å; N27-T29 PolarHBondContact OD1-N 3.16Å; N27-T29 PolarHBondContact OD1-O 3.44Å; N27-T29 PolarHBondContact OD1-OG1 3.29Å; T29-R31 PolarHBondContact O-N 3.32Å; T29-R31 WeakPolarHBondContact OG1-CB 3.48Å; T29-R31 PolarHBondContact OG1-N 3.43Å; T29-R31 VanDerWaalsContact OG1-N 3.16Å; T29-P52 WeakPolarHBondContact O-CA 3.42Å; T29-F53 PolarHBondContact O-N 3.42Å; T29-F53 VanDerWaalsContact O-N 3.14Å; T29-L101 HydrophobicContact CG2-CD2 4.07Å; T29-L101 HydrophobicContact CG2-CG 4.06Å
30G97.6Very high97.7Very high54 Ų5434.8 Ų34.856%0.55718%0.178SC*.SBendtrans-75.67.8169.300000114.3
31R97.1Very high97.7Very high28 Ų2835.9 Ų35.911%0.10618%0.176CC..SBendtrans-101.8153.6-175.7-61.7169.1174.2-121.615.4110.7N27 T29 D70 E75 L101N27-R31 PolarHBondContact ND2-O 3.42Å; T29-R31 PolarHBondContact O-N 3.32Å; T29-R31 WeakPolarHBondContact OG1-CB 3.48Å; T29-R31 PolarHBondContact OG1-N 3.43Å; T29-R31 VanDerWaalsContact OG1-N 3.16Å; R31-D70 VanDerWaalsContact CD-OD2 3.27Å; R31-D70 WeakPolarHBondContact CD-OD2 3.31Å; R31-D70 WeakPolarHBondContact CG-OD2 3.48Å; R31-D70 IonicContact CZ-OD2 3.56Å; R31-D70 IonicContact NE-OD2 3.68Å; R31-D70 IonicContact NH1-OD2 2.69Å; R31-D70 PolarHBondContact NH1-OD2 3.22Å; R31-E75 IonicContact CZ-OE2 3.93Å; R31-E75 IonicContact NH1-OE1 3.89Å; R31-E75 IonicContact NH1-OE2 2.91Å; R31-E75 PolarHBondContact NH1-OE2 2.84Å; R31-E75 IonicContact NH2-OE2 3.8Å; R31-E75 PolarHBondContact NH2-OE2 3.24Å; R31-L101 HydrophobicContact CG-CD2 4.38Å
32V98.6Very high97.7Very high50 Ų5036.2 Ų36.230%0.30318%0.18SC..  trans-75.6125.3164.3-178.10000107.6D49 M50 P52 A71V32-D49 HydrophobicContact CG1-CB 3.74Å; V32-M50 WeakPolarHBondContact CA-O 3.27Å; V32-P52 HydrophobicContact CG2-CG 4.45Å; V32-A71 HydrophobicContact CB-CB 4.07Å; V32-A71 HydrophobicContact CG1-CB 3.68Å; V32-A71 WeakPolarHBondContact O-CB 3.4Å; V32-A71 PolarHBondContact O-N 2.94Å
33V98.7Very high97.7Very high0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-106.9131-174.11760000110.8N27 P35 D49 M50 F68 R69 L77 I99N27-V33 HydrophobicContact CB-CG2 4.28Å; N27-V33 VanDerWaalsContact CG-CG2 3.46Å; N27-V33 WeakPolarHBondContact ND2-CG2 3.5Å; N27-V33 WeakPolarHBondContact OD1-CG2 3.46Å; V33-P35 WeakPolarHBondContact O-CD 3.35Å; V33-D49 CarbonylContact O-C 3.47Å; V33-D49 WeakPolarHBondContact O-CA 3.22Å; V33-M50 HydrophobicContact CB-CB 4.34Å; V33-M50 PolarHBondContact N-O 2.85Å; V33-M50 PolarHBondContact O-N 3.2Å; V33-F68 HydrophobicContact CG1-CB 4.03Å; V33-F68 HydrophobicContact CG1-CD1 3.94Å; V33-F68 HydrophobicContact CG1-CG 4.47Å; V33-R69 CarbonylContact C-O 3.54Å; V33-R69 WeakPolarHBondContact CA-O 3.46Å; V33-L77 HydrophobicContact CB-CD1 4.21Å; V33-L77 HydrophobicContact CG1-CD1 3.95Å; V33-L77 HydrophobicContact CG2-CD1 3.45Å; V33-L77 VanDerWaalsContact CG2-CD1 3.45Å; V33-I99 HydrophobicContact CG1-CD1 4.25Å; V33-I99 HydrophobicContact CG1-CG2 4.18Å; V33-I99 HydrophobicContact CG2-CG2 4.28Å
34R98.6Very high97.7Very high78 Ų7840.2 Ų40.229%0.29420%0.197SC..EExtended strand (participates in β ladder)trans-100.2110.3169-174.6165.4-64.4136.16.8110.5L36 D49 R69 A71R34-L36 HydrophobicContact CG-CD2 3.83Å; R34-L36 HydrophobicContact CG-CG 4.44Å; R34-D49 WeakPolarHBondContact CB-OD1 3.45Å; R34-D49 WeakPolarHBondContact CG-OD1 3.48Å; R34-D49 IonicContact CZ-OD1 2.85Å; R34-D49 IonicContact CZ-OD2 3.62Å; R34-D49 IonicContact NE-OD1 3.72Å; R34-D49 PolarHBondContact NE-OD1 3.42Å; R34-D49 IonicContact NE-OD2 2.7Å; R34-D49 IonicContact NH2-OD1 2.73Å; R34-D49 PolarHBondContact NH2-OD1 3.11Å; R34-D49 IonicContact NH2-OD2 3.15Å; R34-D49 PolarHBondContact NH2-OD2 3.42Å; R34-R69 PolarHBondContact N-O 2.95Å; R34-R69 PolarHBondContact O-N 3.16Å; R34-A71 HydrophobicContact CB-CB 4.13Å; R34-A71 PolarHBondContact NH1-O 3.46Å; R34-A71 PolarHBondContact NH2-O 3.15Å; R34-A71 VanDerWaalsContact NH2-O 3.16Å
35P98.5Very high97.8Very high0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-73.2133.4169.7-1329.6000110.1F25 V33 Y47 A48 M50 W66 F68F25-P35 HydrophobicContact CD2-CB 4.34Å; F25-P35 HydrophobicContact CD2-CG 4.45Å; F25-P35 HydrophobicContact CE2-CB 4.21Å; V33-P35 WeakPolarHBondContact O-CD 3.35Å; P35-Y47 PolarHBondContact O-N 3.08Å; P35-A48 WeakPolarHBondContact CD-O 3.33Å; P35-M50 HydrophobicContact CG-CG 4.17Å; P35-M50 HydrophobicContact CG-SD 3.81Å; P35-W66 HydrophobicContact CB-CE3 4.24Å; P35-W66 HydrophobicContact CB-CZ3 4.08Å; P35-F68 HydrophobicContact CB-CD1 4.04Å; P35-F68 HydrophobicContact CB-CE1 3.85Å; P35-F68 HydrophobicContact CG-CD1 4.37Å; P35-F68 HydrophobicContact CG-CE1 4.29Å
36L98.5Very high97.7Very high6 Ų645.7 Ų45.73%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-121.5118.8175.9-58.8-178.7000109.2R34 T45 W66 L67 R69 H142R34-L36 HydrophobicContact CG-CD2 3.83Å; R34-L36 HydrophobicContact CG-CG 4.44Å; L36-T45 WeakPolarHBondContact CA-O 3.48Å; L36-W66 WeakPolarHBondContact O-CA 3.46Å; L36-L67 HydrophobicContact CB-CD1 3.65Å; L36-L67 HydrophobicContact CB-CG 3.86Å; L36-L67 HydrophobicContact CD1-CD1 3.45Å; L36-L67 VanDerWaalsContact CD1-CD1 3.45Å; L36-L67 HydrophobicContact CD1-CG 4.44Å; L36-L67 HydrophobicContact CG-CD1 3.89Å; L36-L67 PolarHBondContact N-O 2.98Å; L36-L67 PolarHBondContact O-N 3.44Å; L36-R69 HydrophobicContact CD1-CG 3.78Å; L36-R69 HydrophobicContact CG-CG 4.47Å; L36-H142 HydrophobicContact CD1-CB 3.91Å
37W98.3Very high97.7Very high38 Ų3849.4 Ų49.414%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-87.9131.6172.2170.646.9000109.4S14 N39 Y40 P44 T45 Y47 H64 W66S14-W37 PolarHBondContact OG-NE1 3.04Å; W37-N39 HydrophobicContact CD2-CB 4.5Å; W37-N39 HydrophobicContact CE3-CB 4.23Å; W37-N39 HydrophobicContact CH2-CB 3.91Å; W37-N39 HydrophobicContact CZ2-CB 4.19Å; W37-N39 HydrophobicContact CZ3-CB 3.94Å; W37-N39 PolarHBondContact O-N 3.31Å; W37-Y40 HydrophobicContact CH2-CD2 4.28Å; W37-Y40 AromaticContact CH2-CE2 3.97Å; W37-Y40 HydrophobicContact CH2-CE2 3.97Å; W37-Y40 HydrophobicContact CZ2-CD2 4.37Å; W37-Y40 AromaticContact CZ2-CE2 4Å; W37-Y40 HydrophobicContact CZ2-CE2 4Å; W37-P44 CarbonylContact O-C 3.58Å; W37-P44 WeakPolarHBondContact O-CA 3.45Å; W37-T45 HydrophobicContact CE3-CG2 4.29Å; W37-T45 PolarHBondContact N-O 2.96Å; W37-T45 PolarHBondContact O-N 2.96Å; W37-Y47 HydrophobicContact CB-CD2 4.18Å; W37-Y47 HydrophobicContact CB-CE2 3.67Å; W37-Y47 HydrophobicContact CE3-CE2 4.25Å; W37-Y47 HydrophobicContact CG-CE2 4.4Å; W37-H64 AromaticContact CE2-ND1 3.83Å; W37-H64 AromaticContact CZ2-CE1 3.89Å; W37-H64 AromaticContact NE1-CE1 4Å; W37-H64 AromaticContact NE1-CG 3.62Å; W37-H64 AromaticContact NE1-ND1 3.32Å; W37-H64 PolarHBondContact NE1-ND1 3.27Å; W37-W66 HydrophobicContact CB-CD2 4.17Å; W37-W66 HydrophobicContact CB-CE3 3.89Å; W37-W66 HydrophobicContact CB-CH2 3.68Å; W37-W66 HydrophobicContact CB-CZ2 3.92Å; W37-W66 HydrophobicContact CB-CZ3 3.65Å; W37-W66 HydrophobicContact CG-CH2 4.34Å; W37-W66 HydrophobicContact CG-CZ2 4.16Å
38I98.3Very high97.6Very high0 Ų052.4 Ų52.40%027%0.271CS..EExtended strand (participates in β ladder)trans-88109.4173.2-51.1-48.9000108.6V12 S14 P44 P65 L67 L146V12-I38 WeakPolarHBondContact O-CG2 3.23Å; S14-I38 WeakPolarHBondContact CB-O 3.46Å; S14-I38 PolarHBondContact N-O 2.73Å; S14-I38 PolarHBondContact OG-O 3.11Å; I38-P44 HydrophobicContact CD1-CB 3.88Å; I38-P65 HydrophobicContact CB-CB 4.12Å; I38-P65 HydrophobicContact CB-CG 4.29Å; I38-P65 HydrophobicContact CG1-CB 4.16Å; I38-P65 PolarHBondContact N-O 3.39Å; I38-L67 HydrophobicContact CD1-CD2 3.71Å; I38-L67 HydrophobicContact CD1-CG 4.37Å; I38-L67 HydrophobicContact CG1-CD2 4.4Å; I38-L146 HydrophobicContact CD1-CD1 4.19Å; I38-L146 HydrophobicContact CD1-CD2 3.82Å; I38-L146 HydrophobicContact CG1-CD1 4.23Å; I38-L146 HydrophobicContact CG2-CD2 4.32Å
39N97.1Very high97.6Very high28 Ų2847.9 Ų47.915%0.1526%0.258CS..  trans-68.8-176.6-173.877.56000112.7R13 S14 W37 E41 G42 K43R13-N39 WeakPolarHBondContact CB-O 3.38Å; S14-N39 PolarHBondContact N-O 3.49Å; W37-N39 HydrophobicContact CD2-CB 4.5Å; W37-N39 HydrophobicContact CE3-CB 4.23Å; W37-N39 HydrophobicContact CH2-CB 3.91Å; W37-N39 HydrophobicContact CZ2-CB 4.19Å; W37-N39 HydrophobicContact CZ3-CB 3.94Å; W37-N39 PolarHBondContact O-N 3.31Å; N39-E41 PolarHBondContact O-N 3.18Å; N39-E41 WeakPolarHBondContact OD1-CA 3.11Å; N39-E41 WeakPolarHBondContact OD1-CB 3.29Å; N39-E41 PolarHBondContact OD1-N 3.42Å; N39-G42 PolarHBondContact O-N 2.83Å; N39-G42 PolarHBondContact OD1-N 3.27Å; N39-G42 VanDerWaalsContact OD1-N 3.13Å; N39-K43 VanDerWaalsContact CG-O 3.26Å; N39-K43 PolarHBondContact N-O 2.87Å; N39-K43 PolarHBondContact OD1-N 3.02Å; N39-K43 PolarHBondContact OD1-O 3.03Å
40Y96.3Very high97.7Very high101 Ų10147.8 Ų47.840%0.39626%0.257SS..THydrogen-bonded Turntrans-64.7-21.4-178.9-58.1-69.2000114.1R13 S14 W37 H64R13-Y40 WeakPolarHBondContact CD-O 3.43Å; S14-Y40 WeakPolarHBondContact O-CD1 3.42Å; W37-Y40 HydrophobicContact CH2-CD2 4.28Å; W37-Y40 AromaticContact CH2-CE2 3.97Å; W37-Y40 HydrophobicContact CH2-CE2 3.97Å; W37-Y40 HydrophobicContact CZ2-CD2 4.37Å; W37-Y40 AromaticContact CZ2-CE2 4Å; W37-Y40 HydrophobicContact CZ2-CE2 4Å; Y40-H64 AromaticContact CE1-NE2 3.73Å; Y40-H64 AromaticContact CZ-NE2 3.75Å; Y40-H64 PolarHBondContact OH-CE1 3.08Å; Y40-H64 VanDerWaalsContact OH-CE1 3.3Å; Y40-H64 PolarHBondContact OH-NE2 3.21Å; Y40-H64 VanDerWaalsContact OH-NE2 3.16Å
41E95.9Very high97.7Very high103 Ų10350.8 Ų50.848%0.48126%0.257SS..THydrogen-bonded Turntrans-90.90175.1-64.3171.9-15900112.5N39 K43N39-E41 PolarHBondContact O-N 3.18Å; N39-E41 WeakPolarHBondContact OD1-CA 3.11Å; N39-E41 WeakPolarHBondContact OD1-CB 3.29Å; N39-E41 PolarHBondContact OD1-N 3.42Å; E41-K43 VanDerWaalsContact C-N 3.31Å; E41-K43 HydrophobicContact CB-CD 4.43Å; E41-K43 HydrophobicContact CB-CG 4.35Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.73Å; E41-K43 PolarHBondContact OE2-NZ 3.5Å
42G95.8Very high97.8Very high8 Ų851.7 Ų51.78%0.08227%0.266CS..SBendtrans7911.5-174.100000114.5N39 L146N39-G42 PolarHBondContact O-N 2.83Å; N39-G42 PolarHBondContact OD1-N 3.27Å; N39-G42 VanDerWaalsContact OD1-N 3.13Å; G42-L146 VanDerWaalsContact O-CD2 3.29Å; G42-L146 WeakPolarHBondContact O-CD2 3.39Å
43K96.5Very high97.8Very high121 Ų12156.5 Ų56.553%0.52628%0.284SS..  trans-90.9137.6178.5-63.3175.3-176.8155.70110.6N39 E41 T45N39-K43 VanDerWaalsContact CG-O 3.26Å; N39-K43 PolarHBondContact N-O 2.87Å; N39-K43 PolarHBondContact OD1-N 3.02Å; N39-K43 PolarHBondContact OD1-O 3.03Å; E41-K43 VanDerWaalsContact C-N 3.31Å; E41-K43 HydrophobicContact CB-CD 4.43Å; E41-K43 HydrophobicContact CB-CG 4.35Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.73Å; E41-K43 PolarHBondContact OE2-NZ 3.5Å; K43-T45 PolarHBondContact O-N 3.38Å
44P97.4Very high97.7Very high36 Ų3658.3 Ų58.323%0.23430%0.296CS..EExtended strand (participates in β ladder)trans-73.4125.7177.329.5-33.4000111.1W37 I38W37-P44 CarbonylContact O-C 3.58Å; W37-P44 WeakPolarHBondContact O-CA 3.45Å; I38-P44 HydrophobicContact CD1-CB 3.88Å
45T97.9Very high97.7Very high50 Ų5057.3 Ų57.331%0.30731%0.31SS..EExtended strand (participates in β ladder)trans-111.5121.2175.3-58.50000109.3L36 W37 K43L36-T45 WeakPolarHBondContact CA-O 3.48Å; W37-T45 HydrophobicContact CE3-CG2 4.29Å; W37-T45 PolarHBondContact N-O 2.96Å; W37-T45 PolarHBondContact O-N 2.96Å; K43-T45 PolarHBondContact O-N 3.38Å
46S97.5Very high97.6Very high78 Ų7860.6 Ų60.655%0.54532%0.322SS..EExtended strand (participates in β ladder)trans-78.3136.6-179.458.60000113.3
47Y97.8Very high97.5Very high100 Ų10069.6 Ų69.639%0.39236%0.356SS..PPolyproline II helixtrans-102.8166.8166.4-79.9-106.4000110.4P35 W37 W66P35-Y47 PolarHBondContact O-N 3.08Å; W37-Y47 HydrophobicContact CB-CD2 4.18Å; W37-Y47 HydrophobicContact CB-CE2 3.67Å; W37-Y47 HydrophobicContact CE3-CE2 4.25Å; W37-Y47 HydrophobicContact CG-CE2 4.4Å; Y47-W66 HydrophobicContact CD1-CH2 4.33Å; Y47-W66 AromaticContact CD2-CH2 3.6Å; Y47-W66 HydrophobicContact CD2-CH2 3.6Å; Y47-W66 AromaticContact CD2-CZ3 3.59Å; Y47-W66 HydrophobicContact CD2-CZ3 3.59Å; Y47-W66 HydrophobicContact CE1-CH2 4.2Å; Y47-W66 AromaticContact CE2-CH2 3.46Å; Y47-W66 HydrophobicContact CE2-CH2 3.46Å; Y47-W66 VanDerWaalsContact CE2-CH2 3.46Å; Y47-W66 HydrophobicContact CE2-CZ2 4.45Å; Y47-W66 AromaticContact CE2-CZ3 3.89Å; Y47-W66 HydrophobicContact CE2-CZ3 3.89Å; Y47-W66 HydrophobicContact CG-CH2 4.05Å; Y47-W66 HydrophobicContact CG-CZ3 4.07Å; Y47-W66 AromaticContact CZ-CH2 3.78Å
48A97.5Very high97.4Very high66 Ų6669.2 Ų69.255%0.54536%0.356SS..PPolyproline II helixtrans-54.1145.7-179.300000112.1P35 R56P35-A48 WeakPolarHBondContact CD-O 3.33Å; A48-R56 PolarHBondContact O-NH1 3.33Å; A48-R56 PolarHBondContact O-NH2 3.27Å
49D98.6Very high97.2Very high56 Ų5673.2 Ų73.230%0.29938%0.38SS..PPolyproline II helixtrans-70145.8-177.3-66.2-18.1000111.2V32 V33 R34 R56 A71V32-D49 HydrophobicContact CG1-CB 3.74Å; V33-D49 CarbonylContact O-C 3.47Å; V33-D49 WeakPolarHBondContact O-CA 3.22Å; R34-D49 WeakPolarHBondContact CB-OD1 3.45Å; R34-D49 WeakPolarHBondContact CG-OD1 3.48Å; R34-D49 IonicContact CZ-OD1 2.85Å; R34-D49 IonicContact CZ-OD2 3.62Å; R34-D49 IonicContact NE-OD1 3.72Å; R34-D49 PolarHBondContact NE-OD1 3.42Å; R34-D49 IonicContact NE-OD2 2.7Å; R34-D49 IonicContact NH2-OD1 2.73Å; R34-D49 PolarHBondContact NH2-OD1 3.11Å; R34-D49 IonicContact NH2-OD2 3.15Å; R34-D49 PolarHBondContact NH2-OD2 3.42Å; D49-R56 PolarHBondContact O-NH2 2.74Å; D49-A71 HydrophobicContact CB-CB 4.47Å
50M98.4Very high97.2Very high2 Ų272 Ų721%0.0137%0.374CS..BIsolated β-bridgetrans-103.1129.4177.5-65.1173.158.900109.6F25 N27 V32 V33 P35 R56 I99F25-M50 HydrophobicContact CB-CE 3.78Å; F25-M50 HydrophobicContact CB-SD 3.87Å; F25-M50 HydrophobicContact CD2-SD 4.41Å; F25-M50 WeakPolarHBondContact O-CE 3.43Å; N27-M50 HydrophobicContact CB-CE 4.02Å; V32-M50 WeakPolarHBondContact CA-O 3.27Å; V33-M50 HydrophobicContact CB-CB 4.34Å; V33-M50 PolarHBondContact N-O 2.85Å; V33-M50 PolarHBondContact O-N 3.2Å; P35-M50 HydrophobicContact CG-CG 4.17Å; P35-M50 HydrophobicContact CG-SD 3.81Å; M50-R56 HydrophobicContact CE-CB 4.07Å; M50-R56 HydrophobicContact CG-CB 4.4Å; M50-R56 HydrophobicContact SD-CB 4.22Å; M50-I99 HydrophobicContact CE-CD1 4.21Å; M50-I99 HydrophobicContact SD-CD1 4.21Å
51Q98.5Very high97.2Very high118 Ų11871.8 Ų71.855%0.55137%0.373SS*.PPolyproline II helixtrans-68157.2178.7-65.7-56.4-40.300111.7N27 F53 S54N27-Q51 PolarHBondContact ND2-O 2.74Å; Q51-F53 PolarHBondContact O-N 2.89Å; Q51-S54 PolarHBondContact N-OG 3.49Å; Q51-S54 VanDerWaalsContact O-CB 3.32Å; Q51-S54 WeakPolarHBondContact O-CB 3.45Å; Q51-S54 PolarHBondContact O-N 3.46Å; Q51-S54 PolarHBondContact O-OG 2.59Å
52P98.6Very high97.2Very high46 Ų4668 Ų6830%0.29936%0.357SS..THydrogen-bonded Turntrans-47.8139.2173-29.737000112.3N27 T29 V32 S54N27-P52 WeakPolarHBondContact ND2-CA 3.36Å; T29-P52 WeakPolarHBondContact O-CA 3.42Å; V32-P52 HydrophobicContact CG2-CG 4.45Å; P52-S54 PolarHBondContact O-N 2.9Å
53F98.3Very high97.1Very high152 Ų15268.4 Ų68.467%0.66736%0.361SS*.THydrogen-bonded Turntrans56.621.9175.7-50-65.1000115.7N27 T29 Q51N27-F53 CarbonylContact O-C 3.54Å; N27-F53 WeakPolarHBondContact O-CA 3.26Å; N27-F53 PolarHBondContact O-N 3.13Å; T29-F53 PolarHBondContact O-N 3.42Å; T29-F53 VanDerWaalsContact O-N 3.14Å; Q51-F53 PolarHBondContact O-N 2.89Å
54S98.3Very high97.2Very high38 Ų3863 Ų6327%0.26634%0.337SS..  trans-102.6160.3-178.573.50000113.6N27 Q51 P52N27-S54 WeakPolarHBondContact CB-O 3.44Å; N27-S54 PolarHBondContact N-O 2.75Å; Q51-S54 PolarHBondContact N-OG 3.49Å; Q51-S54 VanDerWaalsContact O-CB 3.32Å; Q51-S54 WeakPolarHBondContact O-CB 3.45Å; Q51-S54 PolarHBondContact O-N 3.46Å; Q51-S54 PolarHBondContact O-OG 2.59Å; P52-S54 PolarHBondContact O-N 2.9Å
55G97.4Very high97.2Very high56 Ų5661.6 Ų61.658%0.57733%0.328SS*.EExtended strand (participates in β ladder)trans-114146.1172.700000112.1F25F25-G55 CarbonylContact O-C 3.57Å; F25-G55 VanDerWaalsContact O-CA 3.24Å; F25-G55 WeakPolarHBondContact O-CA 3.39Å
56R97.1Very high97.2Very high70 Ų7059.4 Ų59.426%0.26431%0.314SS..EExtended strand (participates in β ladder)trans-131.1121.1171-176.9173.4-65.7166.29.7111V24 F25 A48 D49 M50 M58V24-R56 CarbonylContact C-O 3.57Å; V24-R56 WeakPolarHBondContact CA-O 3.25Å; F25-R56 PolarHBondContact N-O 3.07Å; F25-R56 PolarHBondContact O-N 3.3Å; A48-R56 PolarHBondContact O-NH1 3.33Å; A48-R56 PolarHBondContact O-NH2 3.27Å; D49-R56 PolarHBondContact O-NH2 2.74Å; M50-R56 HydrophobicContact CE-CB 4.07Å; M50-R56 HydrophobicContact CG-CB 4.4Å; M50-R56 HydrophobicContact SD-CB 4.22Å; R56-M58 HydrophobicContact CB-CE 4.34Å; R56-M58 HydrophobicContact CG-CE 3.89Å
57R96.9Very high97.2Very high194 Ų19455.9 Ų55.973%0.73229%0.289SS*.EExtended strand (participates in β ladder)trans-77.3138.1168.4-72.1-179.6-176.7-87.2-0.1109.8V23 V24V23-R57 WeakPolarHBondContact O-CA 3.38Å; V24-R57 HydrophobicContact CG1-CG 4.48Å; V24-R57 HydrophobicContact CG2-CG 4.1Å
58M95Very high97.3Very high31 Ų3151.2 Ų51.215%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-155.8158.7172.761.8-176.670.700111.1V23 F25 R56 W66V23-M58 HydrophobicContact CG2-CG 3.28Å; V23-M58 HydrophobicContact CG2-SD 4.12Å; V23-M58 PolarHBondContact N-O 3.32Å; V23-M58 PolarHBondContact O-N 3.33Å; F25-M58 HydrophobicContact CB-CE 4.29Å; F25-M58 HydrophobicContact CD1-CE 4.48Å; F25-M58 HydrophobicContact CD1-SD 4.3Å; F25-M58 HydrophobicContact CD2-CE 3.06Å; F25-M58 HydrophobicContact CD2-SD 3.48Å; F25-M58 WeakPolarHBondContact CD2-SD 3.5Å; F25-M58 HydrophobicContact CE1-SD 4.02Å; F25-M58 HydrophobicContact CE2-CE 3.35Å; F25-M58 HydrophobicContact CE2-CG 4.48Å; F25-M58 HydrophobicContact CE2-SD 3.08Å; F25-M58 WeakPolarHBondContact CE2-SD 3.31Å; F25-M58 HydrophobicContact CG-CE 3.72Å; F25-M58 HydrophobicContact CG-SD 4.08Å; F25-M58 HydrophobicContact CZ-CE 4.19Å; F25-M58 HydrophobicContact CZ-CG 4.47Å; F25-M58 HydrophobicContact CZ-SD 3.39Å; F25-M58 WeakPolarHBondContact CZ-SD 3.44Å; R56-M58 HydrophobicContact CB-CE 4.34Å; R56-M58 HydrophobicContact CG-CE 3.89Å; M58-W66 HydrophobicContact SD-CH2 4.15Å; M58-W66 HydrophobicContact SD-CZ2 4.3Å
59T95.3Very high97.3Very high83 Ų8348.6 Ų48.651%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-104.3124.2169.6-54.40000108P20 N22P20-T59 HydrophobicContact CB-CG2 3.88Å; N22-T59 PolarHBondContact OD1-OG1 2.97Å
60T95.6Very high97.3Very high3 Ų346.5 Ų46.52%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-119.5-174.2171.5-177.60000108.2P20 V21 V23 H64 W66 P87P20-T60 CarbonylContact C-O 3.56Å; P20-T60 WeakPolarHBondContact CA-O 3.46Å; V21-T60 HydrophobicContact CB-CG2 4.31Å; V21-T60 PolarHBondContact N-O 2.93Å; V21-T60 PolarHBondContact O-N 2.95Å; V23-T60 HydrophobicContact CG1-CG2 3.89Å; V23-T60 HydrophobicContact CG2-CG2 4.05Å; T60-H64 WeakPolarHBondContact OG1-CB 3.37Å; T60-W66 PolarHBondContact OG1-NE1 2.75Å; T60-P87 HydrophobicContact CG2-CB 4.07Å; T60-P87 HydrophobicContact CG2-CG 3.43Å; T60-P87 VanDerWaalsContact CG2-CG 3.43Å
61Y96.4Very high97.3Very high97 Ų9747 Ų4738%0.3824%0.241SC..EExtended strand (participates in β ladder)trans-122.5156.4177.5-59.7-95.9000111.9I19 P20 G63 H64 P87I19-Y61 CarbonylContact O-C 3.51Å; I19-Y61 VanDerWaalsContact O-CA 3.26Å; I19-Y61 WeakPolarHBondContact O-CA 3.27Å; P20-Y61 HydrophobicContact CB-CD1 4.41Å; P20-Y61 HydrophobicContact CB-CE1 4.25Å; Y61-G63 PolarHBondContact O-N 3.14Å; Y61-H64 AromaticContact CD2-CE1 3.5Å; Y61-H64 AromaticContact CD2-ND1 3.9Å; Y61-H64 WeakPolarHBondContact O-CB 3.32Å; Y61-H64 PolarHBondContact O-N 3.49Å; Y61-H64 VanDerWaalsContact O-N 3.13Å; Y61-P87 WeakPolarHBondContact O-CG 3.37Å
62V96.4Very high97.2Very high24 Ų2446.3 Ų46.315%0.14526%0.255CS..THydrogen-bonded Turntrans-54.4130.6173.8174.50000109.5S17 I19 V21 P89S17-V62 WeakPolarHBondContact CB-O 3.42Å; S17-V62 PolarHBondContact OG-N 3.48Å; S17-V62 PolarHBondContact OG-O 3.23Å; I19-V62 HydrophobicContact CB-CB 4.2Å; I19-V62 HydrophobicContact CB-CG2 3.8Å; I19-V62 HydrophobicContact CG2-CG2 3.63Å; I19-V62 PolarHBondContact O-N 2.87Å; V21-V62 HydrophobicContact CG2-CG2 3.52Å; V62-P89 HydrophobicContact CG1-CG 4.23Å; V62-P89 HydrophobicContact CG2-CB 4.5Å; V62-P89 HydrophobicContact CG2-CG 4.02Å
63G94.9Very high97Very high15 Ų1545.7 Ų45.716%0.15525%0.251CS..THydrogen-bonded Turntrans84.41179.600000115.5Y61 P65 P87Y61-G63 PolarHBondContact O-N 3.14Å; G63-P65 VanDerWaalsContact O-CD 3.22Å; G63-P65 WeakPolarHBondContact O-CD 2.85Å; G63-P87 PolarHBondContact N-O 3.39Å
64H97.3Very high97Very high8 Ų840 Ų404%0.03723%0.228CC..  trans-80.1113.1175.6-77-155000111.8S14 L15 W37 Y40 T60 Y61 P87S14-H64 WeakPolarHBondContact OG-CA 3.19Å; L15-H64 PolarHBondContact O-CD2 3.28Å; L15-H64 PolarHBondContact O-NE2 2.92Å; W37-H64 AromaticContact CE2-ND1 3.83Å; W37-H64 AromaticContact CZ2-CE1 3.89Å; W37-H64 AromaticContact NE1-CE1 4Å; W37-H64 AromaticContact NE1-CG 3.62Å; W37-H64 AromaticContact NE1-ND1 3.32Å; W37-H64 PolarHBondContact NE1-ND1 3.27Å; Y40-H64 AromaticContact CE1-NE2 3.73Å; Y40-H64 AromaticContact CZ-NE2 3.75Å; Y40-H64 PolarHBondContact OH-CE1 3.08Å; Y40-H64 VanDerWaalsContact OH-CE1 3.3Å; Y40-H64 PolarHBondContact OH-NE2 3.21Å; Y40-H64 VanDerWaalsContact OH-NE2 3.16Å; T60-H64 WeakPolarHBondContact OG1-CB 3.37Å; Y61-H64 AromaticContact CD2-CE1 3.5Å; Y61-H64 AromaticContact CD2-ND1 3.9Å; Y61-H64 WeakPolarHBondContact O-CB 3.32Å; Y61-H64 PolarHBondContact O-N 3.49Å; Y61-H64 VanDerWaalsContact O-N 3.13Å; H64-P87 WeakPolarHBondContact O-CD 3.39Å
65P97.9Very high96.9Very high6 Ų638.3 Ų38.34%0.03922%0.216CC..  trans-78139.1-178.7-10.928.3000112.2V12 R13 S14 I38 G63 L84 Y85 V86V12-P65 HydrophobicContact CG1-CB 4.12Å; V12-P65 HydrophobicContact CG1-CG 4.17Å; R13-P65 WeakPolarHBondContact O-CG 3.41Å; S14-P65 VanDerWaalsContact OG-CD 3.27Å; S14-P65 WeakPolarHBondContact OG-CD 3.45Å; I38-P65 HydrophobicContact CB-CB 4.12Å; I38-P65 HydrophobicContact CB-CG 4.29Å; I38-P65 HydrophobicContact CG1-CB 4.16Å; I38-P65 PolarHBondContact N-O 3.39Å; G63-P65 VanDerWaalsContact O-CD 3.22Å; G63-P65 WeakPolarHBondContact O-CD 2.85Å; P65-L84 HydrophobicContact CB-CD1 3.78Å; P65-L84 HydrophobicContact CB-CD2 3.93Å; P65-L84 HydrophobicContact CB-CG 4.05Å; P65-Y85 CarbonylContact C-O 3.59Å; P65-Y85 WeakPolarHBondContact CA-O 3.36Å; P65-V86 HydrophobicContact CB-CG2 4.31Å
66W98.3Very high96.9Very high5 Ų537.1 Ų37.12%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-128.6135.5178.1-70.289000111.3F25 P35 L36 W37 Y47 M58 T60 F68 L84 Y85F25-W66 HydrophobicContact CE2-CD2 4.04Å; F25-W66 AromaticContact CE2-CE3 3.81Å; F25-W66 HydrophobicContact CE2-CE3 3.81Å; F25-W66 HydrophobicContact CE2-CZ3 4.05Å; F25-W66 HydrophobicContact CZ-CB 4.43Å; F25-W66 AromaticContact CZ-CD2 3.76Å; F25-W66 HydrophobicContact CZ-CD2 3.76Å; F25-W66 HydrophobicContact CZ-CE3 4.03Å; F25-W66 AromaticContact CZ-CG 3.95Å; F25-W66 HydrophobicContact CZ-CG 3.95Å; P35-W66 HydrophobicContact CB-CE3 4.24Å; P35-W66 HydrophobicContact CB-CZ3 4.08Å; L36-W66 WeakPolarHBondContact O-CA 3.46Å; W37-W66 HydrophobicContact CB-CD2 4.17Å; W37-W66 HydrophobicContact CB-CE3 3.89Å; W37-W66 HydrophobicContact CB-CH2 3.68Å; W37-W66 HydrophobicContact CB-CZ2 3.92Å; W37-W66 HydrophobicContact CB-CZ3 3.65Å; W37-W66 HydrophobicContact CG-CH2 4.34Å; W37-W66 HydrophobicContact CG-CZ2 4.16Å; Y47-W66 HydrophobicContact CD1-CH2 4.33Å; Y47-W66 AromaticContact CD2-CH2 3.6Å; Y47-W66 HydrophobicContact CD2-CH2 3.6Å; Y47-W66 AromaticContact CD2-CZ3 3.59Å; Y47-W66 HydrophobicContact CD2-CZ3 3.59Å; Y47-W66 HydrophobicContact CE1-CH2 4.2Å; Y47-W66 AromaticContact CE2-CH2 3.46Å; Y47-W66 HydrophobicContact CE2-CH2 3.46Å; Y47-W66 VanDerWaalsContact CE2-CH2 3.46Å; Y47-W66 HydrophobicContact CE2-CZ2 4.45Å; Y47-W66 AromaticContact CE2-CZ3 3.89Å; Y47-W66 HydrophobicContact CE2-CZ3 3.89Å; Y47-W66 HydrophobicContact CG-CH2 4.05Å; Y47-W66 HydrophobicContact CG-CZ3 4.07Å; Y47-W66 AromaticContact CZ-CH2 3.78Å; M58-W66 HydrophobicContact SD-CH2 4.15Å; M58-W66 HydrophobicContact SD-CZ2 4.3Å; T60-W66 PolarHBondContact OG1-NE1 2.75Å; W66-F68 HydrophobicContact CB-CE2 4.09Å; W66-F68 HydrophobicContact CB-CZ 4.24Å; W66-L84 WeakPolarHBondContact O-CD1 3.3Å; W66-Y85 HydrophobicContact CB-CD1 4.33Å; W66-Y85 PolarHBondContact N-O 2.87Å; W66-Y85 PolarHBondContact O-N 3.17Å
67L97.6Very high97Very high3 Ų334 Ų342%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-126.1158.3170.36986.7000110.3L36 I38 R69 L84 H142L36-L67 HydrophobicContact CB-CD1 3.65Å; L36-L67 HydrophobicContact CB-CG 3.86Å; L36-L67 HydrophobicContact CD1-CD1 3.45Å; L36-L67 VanDerWaalsContact CD1-CD1 3.45Å; L36-L67 HydrophobicContact CD1-CG 4.44Å; L36-L67 HydrophobicContact CG-CD1 3.89Å; L36-L67 PolarHBondContact N-O 2.98Å; L36-L67 PolarHBondContact O-N 3.44Å; I38-L67 HydrophobicContact CD1-CD2 3.71Å; I38-L67 HydrophobicContact CD1-CG 4.37Å; I38-L67 HydrophobicContact CG1-CD2 4.4Å; L67-R69 HydrophobicContact CD1-CG 3.72Å; L67-L84 HydrophobicContact CB-CD1 4.31Å; L67-H142 HydrophobicContact CD1-CB 4.31Å
68F98.4Very high97Very high2 Ų227.4 Ų27.41%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-130.2133.9-172.1-61.4-89.4000109.7F25 V33 P35 W66 L77 V79 V97 I99F25-F68 HydrophobicContact CD1-CZ 4.15Å; F25-F68 AromaticContact CD2-CE1 3.41Å; F25-F68 HydrophobicContact CD2-CE1 3.41Å; F25-F68 VanDerWaalsContact CD2-CE1 3.41Å; F25-F68 AromaticContact CD2-CZ 3.69Å; F25-F68 HydrophobicContact CD2-CZ 3.69Å; F25-F68 AromaticContact CE1-CZ 3.95Å; F25-F68 HydrophobicContact CE1-CZ 3.95Å; F25-F68 AromaticContact CE2-CE1 3.55Å; F25-F68 HydrophobicContact CE2-CE1 3.55Å; F25-F68 AromaticContact CE2-CZ 3.5Å; F25-F68 HydrophobicContact CE2-CZ 3.5Å; F25-F68 VanDerWaalsContact CE2-CZ 3.5Å; F25-F68 AromaticContact CG-CE1 3.96Å; F25-F68 HydrophobicContact CG-CE1 3.96Å; F25-F68 HydrophobicContact CG-CZ 4.01Å; F25-F68 HydrophobicContact CZ-CE1 4.2Å; F25-F68 AromaticContact CZ-CZ 3.65Å; F25-F68 HydrophobicContact CZ-CZ 3.65Å; V33-F68 HydrophobicContact CG1-CB 4.03Å; V33-F68 HydrophobicContact CG1-CD1 3.94Å; V33-F68 HydrophobicContact CG1-CG 4.47Å; P35-F68 HydrophobicContact CB-CD1 4.04Å; P35-F68 HydrophobicContact CB-CE1 3.85Å; P35-F68 HydrophobicContact CG-CD1 4.37Å; P35-F68 HydrophobicContact CG-CE1 4.29Å; W66-F68 HydrophobicContact CB-CE2 4.09Å; W66-F68 HydrophobicContact CB-CZ 4.24Å; F68-L77 HydrophobicContact CB-CB 4.15Å; F68-L77 PolarHBondContact O-N 3.31Å; F68-V79 HydrophobicContact CD2-CB 3.68Å; F68-V79 HydrophobicContact CD2-CG1 4.02Å; F68-V79 HydrophobicContact CD2-CG2 4.1Å; F68-V79 HydrophobicContact CE2-CB 3.75Å; F68-V79 HydrophobicContact CE2-CG1 4.1Å; F68-V79 HydrophobicContact CE2-CG2 3.66Å; F68-V79 HydrophobicContact CZ-CG2 4.5Å; F68-V97 HydrophobicContact CE2-CG1 4.5Å; F68-V97 HydrophobicContact CZ-CG1 4.38Å; F68-I99 HydrophobicContact CB-CG1 4.46Å; F68-I99 HydrophobicContact CB-CG2 3.91Å; F68-I99 HydrophobicContact CD1-CD1 3.38Å; F68-I99 HydrophobicContact CD1-CG1 3.69Å; F68-I99 HydrophobicContact CD2-CG1 4.17Å; F68-I99 HydrophobicContact CE1-CD1 3.43Å; F68-I99 VanDerWaalsContact CE1-CD1 3.43Å; F68-I99 HydrophobicContact CE1-CG1 3.87Å; F68-I99 HydrophobicContact CE2-CG1 4.36Å; F68-I99 HydrophobicContact CG-CD1 4.06Å; F68-I99 HydrophobicContact CG-CG1 3.83Å; F68-I99 HydrophobicContact CG-CG2 4.21Å; F68-I99 HydrophobicContact CZ-CD1 4.16Å; F68-I99 HydrophobicContact CZ-CG1 4.2Å
69R98.4Very high97.1Very high11 Ų1126 Ų264%0.04216%0.156CC..EExtended strand (participates in β ladder)trans-127.5151.5-175.1-62.3-69.3170.4170-5.3110.9V33 R34 L36 L67 A71 D74 E75 H142 D145V33-R69 CarbonylContact C-O 3.54Å; V33-R69 WeakPolarHBondContact CA-O 3.46Å; R34-R69 PolarHBondContact N-O 2.95Å; R34-R69 PolarHBondContact O-N 3.16Å; L36-R69 HydrophobicContact CD1-CG 3.78Å; L36-R69 HydrophobicContact CG-CG 4.47Å; L67-R69 HydrophobicContact CD1-CG 3.72Å; R69-A71 PolarHBondContact O-N 3.26Å; R69-D74 WeakPolarHBondContact CB-OD1 3.43Å; R69-D74 VanDerWaalsContact CD-O 3.29Å; R69-D74 WeakPolarHBondContact CD-O 3.48Å; R69-D74 WeakPolarHBondContact CD-OD1 3.47Å; R69-D74 WeakPolarHBondContact CG-OD1 3.4Å; R69-D74 PolarHBondContact NH1-O 3.15Å; R69-D74 VanDerWaalsContact NH1-O 3.13Å; R69-E75 WeakPolarHBondContact CA-O 3.38Å; R69-H142 HydrophobicContact CG-CB 4.21Å; R69-D145 IonicContact CZ-OD2 2.69Å; R69-D145 IonicContact NH1-OD2 3.41Å; R69-D145 PolarHBondContact NH1-OD2 3.47Å; R69-D145 IonicContact NH2-OD2 2.66Å; R69-D145 PolarHBondContact NH2-OD2 3.38Å
70D98.1Very high97.1Very high13 Ų1325 Ų257%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-62.4123.8159.2-174.9-81.5000108.9R31 A72 S73 D74 E75R31-D70 VanDerWaalsContact CD-OD2 3.27Å; R31-D70 WeakPolarHBondContact CD-OD2 3.31Å; R31-D70 WeakPolarHBondContact CG-OD2 3.48Å; R31-D70 IonicContact CZ-OD2 3.56Å; R31-D70 IonicContact NE-OD2 3.68Å; R31-D70 IonicContact NH1-OD2 2.69Å; R31-D70 PolarHBondContact NH1-OD2 3.22Å; D70-A72 PolarHBondContact O-N 3.41Å; D70-A72 PolarHBondContact OD1-N 2.99Å; D70-A72 VanDerWaalsContact OD1-N 3.14Å; D70-S73 VanDerWaalsContact CB-OG 3.3Å; D70-S73 WeakPolarHBondContact CB-OG 3.28Å; D70-S73 PolarHBondContact OD1-N 3.48Å; D70-S73 PolarHBondContact OD1-OG 2.85Å; D70-D74 WeakPolarHBondContact O-CA 3.22Å; D70-D74 PolarHBondContact O-N 2.9Å; D70-E75 HydrophobicContact CB-CB 3.92Å; D70-E75 PolarHBondContact N-O 2.88Å
71A98Very high97Very high13 Ų1330.1 Ų30.111%0.10718%0.183CC..THydrogen-bonded Turntrans-65.4-25.4-171.400000113.7V32 R34 D49 R69V32-A71 HydrophobicContact CB-CB 4.07Å; V32-A71 HydrophobicContact CG1-CB 3.68Å; V32-A71 WeakPolarHBondContact O-CB 3.4Å; V32-A71 PolarHBondContact O-N 2.94Å; R34-A71 HydrophobicContact CB-CB 4.13Å; R34-A71 PolarHBondContact NH1-O 3.46Å; R34-A71 PolarHBondContact NH2-O 3.15Å; R34-A71 VanDerWaalsContact NH2-O 3.16Å; D49-A71 HydrophobicContact CB-CB 4.47Å; R69-A71 PolarHBondContact O-N 3.26Å
72A96Very high96.9Very high102 Ų10232.3 Ų32.384%0.84319%0.194SC*.THydrogen-bonded Turntrans-92.7-36-177.200000112.7D70D70-A72 PolarHBondContact O-N 3.41Å; D70-A72 PolarHBondContact OD1-N 2.99Å; D70-A72 VanDerWaalsContact OD1-N 3.14Å
73S95.8Very high96.8Very high33 Ų3334 Ų3423%0.23120%0.2CC..THydrogen-bonded Turntrans-115.6-6.5-169.457.30000114.9D70 E75D70-S73 VanDerWaalsContact CB-OG 3.3Å; D70-S73 WeakPolarHBondContact CB-OG 3.28Å; D70-S73 PolarHBondContact OD1-N 3.48Å; D70-S73 PolarHBondContact OD1-OG 2.85Å; S73-E75 PolarHBondContact O-N 3.46Å; S73-E75 VanDerWaalsContact OG-CG 3.27Å; S73-E75 WeakPolarHBondContact OG-CG 3.38Å; S73-E75 PolarHBondContact OG-OE1 3.23Å
74D97.6Very high96.8Very high32 Ų3235 Ų3517%0.17120%0.202CC..  trans58.115.1-173.3-151.129.7000114R69 D70 P140 N141 H142R69-D74 WeakPolarHBondContact CB-OD1 3.43Å; R69-D74 VanDerWaalsContact CD-O 3.29Å; R69-D74 WeakPolarHBondContact CD-O 3.48Å; R69-D74 WeakPolarHBondContact CD-OD1 3.47Å; R69-D74 WeakPolarHBondContact CG-OD1 3.4Å; R69-D74 PolarHBondContact NH1-O 3.15Å; R69-D74 VanDerWaalsContact NH1-O 3.13Å; D70-D74 WeakPolarHBondContact O-CA 3.22Å; D70-D74 PolarHBondContact O-N 2.9Å; D74-P140 WeakPolarHBondContact O-CB 3.47Å; D74-N141 VanDerWaalsContact OD2-CA 3.28Å; D74-N141 WeakPolarHBondContact OD2-CA 3.49Å; D74-H142 IonicContact OD1-CG 3.81Å; D74-H142 IonicContact OD1-ND1 3.25Å; D74-H142 PolarHBondContact OD1-ND1 3.15Å; D74-H142 IonicContact OD2-CE1 3.85Å; D74-H142 IonicContact OD2-CG 3.54Å; D74-H142 PolarHBondContact OD2-N 3.22Å; D74-H142 IonicContact OD2-ND1 2.77Å; D74-H142 PolarHBondContact OD2-ND1 3.44Å
75E97Very high96.8Very high4 Ų435.8 Ų35.82%0.01921%0.205CC..  trans-57.9132.8173.6-74.3173.6-139.300109.6R31 R69 D70 S73 Y112 R116 P140R31-E75 IonicContact CZ-OE2 3.93Å; R31-E75 IonicContact NH1-OE1 3.89Å; R31-E75 IonicContact NH1-OE2 2.91Å; R31-E75 PolarHBondContact NH1-OE2 2.84Å; R31-E75 IonicContact NH2-OE2 3.8Å; R31-E75 PolarHBondContact NH2-OE2 3.24Å; R69-E75 WeakPolarHBondContact CA-O 3.38Å; D70-E75 HydrophobicContact CB-CB 3.92Å; D70-E75 PolarHBondContact N-O 2.88Å; S73-E75 PolarHBondContact O-N 3.46Å; S73-E75 VanDerWaalsContact OG-CG 3.27Å; S73-E75 WeakPolarHBondContact OG-CG 3.38Å; S73-E75 PolarHBondContact OG-OE1 3.23Å; E75-Y112 HydrophobicContact CG-CD1 3.71Å; E75-Y112 HydrophobicContact CG-CD2 4.04Å; E75-Y112 HydrophobicContact CG-CE1 3.79Å; E75-Y112 HydrophobicContact CG-CE2 4.07Å; E75-Y112 HydrophobicContact CG-CG 3.87Å; E75-Y112 WeakPolarHBondContact OE1-CB 3.26Å; E75-Y112 VanDerWaalsContact OE2-CD2 3.29Å; E75-Y112 WeakPolarHBondContact OE2-CD2 3.27Å; E75-R116 IonicContact OE1-CZ 3.85Å; E75-R116 IonicContact OE1-NE 2.87Å; E75-R116 PolarHBondContact OE1-NE 3.25Å; E75-R116 IonicContact OE1-NH2 3.01Å; E75-R116 PolarHBondContact OE1-NH2 3.05Å; E75-R116 IonicContact OE2-NH2 3.83Å; E75-R116 PolarHBondContact OE2-NH2 2.96Å; E75-P140 HydrophobicContact CG-CG 3.87Å
76P97.3Very high96.8Very high30 Ų3038.6 Ų38.620%0.19522%0.221CC..BIsolated β-bridgetrans-64.6142.3-179.825.2-32.3000111.3T102P76-T102 HydrophobicContact CB-CG2 4.47Å; P76-T102 HydrophobicContact CG-CG2 4.49Å; P76-T102 VanDerWaalsContact O-CG2 3.25Å; P76-T102 WeakPolarHBondContact O-CG2 3.44Å
77L97.9Very high96.6Very high4 Ų438.4 Ų38.42%0.02122%0.221CC..  trans-115155.7168.2-61.5171.9000109.8V33 F68 I99 L101V33-L77 HydrophobicContact CB-CD1 4.21Å; V33-L77 HydrophobicContact CG1-CD1 3.95Å; V33-L77 HydrophobicContact CG2-CD1 3.45Å; V33-L77 VanDerWaalsContact CG2-CD1 3.45Å; F68-L77 HydrophobicContact CB-CB 4.15Å; F68-L77 PolarHBondContact O-N 3.31Å; L77-I99 HydrophobicContact CB-CG2 3.88Å; L77-I99 HydrophobicContact CD1-CG2 3.89Å; L77-L101 HydrophobicContact CD2-CD2 4.06Å
78K97.6Very high96.5Very high57 Ų5746 Ų4625%0.24825%0.254CS..EExtended strand (participates in β ladder)trans-88.7146.8173.5-67.5-63.9-177.3-179.90110K82 I99 T100 T102K78-K82 CarbonylContact C-O 3.53Å; K78-K82 WeakPolarHBondContact CA-O 3.44Å; K78-K82 WeakPolarHBondContact CD-O 3.08Å; K78-I99 CarbonylContact O-C 3.6Å; K78-I99 VanDerWaalsContact O-CA 3.28Å; K78-I99 WeakPolarHBondContact O-CA 3.35Å; K78-T100 PolarHBondContact N-O 2.77Å; K78-T100 PolarHBondContact O-N 3.25Å; K78-T102 HydrophobicContact CD-CG2 4.23Å; K78-T102 HydrophobicContact CG-CG2 3.82Å
79V97.1Very high96.1Very high1 Ų150.6 Ų50.61%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-121.6117.4170.456.60000109.5F68 C81 K82 L84 Y85 V97 N98F68-V79 HydrophobicContact CD2-CB 3.68Å; F68-V79 HydrophobicContact CD2-CG1 4.02Å; F68-V79 HydrophobicContact CD2-CG2 4.1Å; F68-V79 HydrophobicContact CE2-CB 3.75Å; F68-V79 HydrophobicContact CE2-CG1 4.1Å; F68-V79 HydrophobicContact CE2-CG2 3.66Å; F68-V79 HydrophobicContact CZ-CG2 4.5Å; V79-C81 PolarHBondContact O-N 2.81Å; V79-K82 PolarHBondContact N-O 2.98Å; V79-K82 WeakPolarHBondContact O-CA 3.38Å; V79-K82 WeakPolarHBondContact O-CB 3.45Å; V79-K82 PolarHBondContact O-N 3.43Å; V79-L84 VanDerWaalsContact CG1-C 3.49Å; V79-Y85 HydrophobicContact CG2-CD2 4.48Å; V79-Y85 HydrophobicContact CG2-CG 4.23Å; V79-V97 HydrophobicContact CG2-CG1 3.15Å; V79-N98 CarbonylContact C-O 3.45Å; V79-N98 WeakPolarHBondContact CA-O 3.39Å
80N95.7Very high95.5Very high62 Ų6252.3 Ų52.333%0.33230%0.298SS..THydrogen-bonded Turntrans46.645.3-172.3-66.5-18.9000111.9K82 N98N80-K82 PolarHBondContact O-N 2.9Å; N80-N98 PolarHBondContact N-O 2.94Å; N80-N98 WeakPolarHBondContact OD1-CB 3.29Å; N80-N98 PolarHBondContact OD1-N 2.73Å
81C92.7Very high94.7Very high111 Ų11154.7 Ų54.775%0.7533%0.325SS*.THydrogen-bonded Turntrans64.613.2-176.4-52.90000115.9V79V79-C81 PolarHBondContact O-N 2.81Å
82K95.1Very high93.8Very high142 Ų14261.9 Ų61.962%0.61736%0.362SS*.BIsolated β-bridgetrans-117165.6178.7-61.7-177.8-178.7-175.70111.9K78 V79 N80K78-K82 CarbonylContact C-O 3.53Å; K78-K82 WeakPolarHBondContact CA-O 3.44Å; K78-K82 WeakPolarHBondContact CD-O 3.08Å; V79-K82 PolarHBondContact N-O 2.98Å; V79-K82 WeakPolarHBondContact O-CA 3.38Å; V79-K82 WeakPolarHBondContact O-CB 3.45Å; V79-K82 PolarHBondContact O-N 3.43Å; N80-K82 PolarHBondContact O-N 2.9Å
83E94.1Very high93.4Very high59 Ų5960.8 Ų60.828%0.27635%0.353SS..SBendtrans-76.5-26175.1-64.8177.1114.700112.5R148 R152E83-R148 IonicContact OE1-NH2 3.28Å; E83-R148 PolarHBondContact OE1-NH2 3.13Å; E83-R152 IonicContact OE1-NH1 3.92Å; E83-R152 IonicContact OE2-CZ 3.65Å; E83-R152 IonicContact OE2-NH1 2.79Å; E83-R152 PolarHBondContact OE2-NH1 2.79Å; E83-R152 IonicContact OE2-NH2 3.38Å
84L95.3Very high93.2Very high38 Ų3860.7 Ų60.720%0.19935%0.354CS..  trans-137.8139.8-172.8-167.573.7000109.8V12 P65 W66 L67 V79 V86V12-L84 HydrophobicContact CG1-CD2 4.03Å; P65-L84 HydrophobicContact CB-CD1 3.78Å; P65-L84 HydrophobicContact CB-CD2 3.93Å; P65-L84 HydrophobicContact CB-CG 4.05Å; W66-L84 WeakPolarHBondContact O-CD1 3.3Å; L67-L84 HydrophobicContact CB-CD1 4.31Å; V79-L84 VanDerWaalsContact CG1-C 3.49Å; L84-V86 HydrophobicContact CD2-CG2 3.85Å; L84-V86 HydrophobicContact CG-CG2 4.14Å
85Y97.3Very high93.1Very high24 Ų2461.3 Ų61.39%0.09436%0.358CS..BIsolated β-bridgetrans-105.4127.5168.3174.7-108.9000109.4V23 F25 P65 W66 V79 P87 V97V23-Y85 HydrophobicContact CG1-CE1 4.1Å; V23-Y85 WeakPolarHBondContact CG1-OH 3.41Å; F25-Y85 HydrophobicContact CE1-CD1 4.32Å; F25-Y85 HydrophobicContact CE1-CE1 4.3Å; P65-Y85 CarbonylContact C-O 3.59Å; P65-Y85 WeakPolarHBondContact CA-O 3.36Å; W66-Y85 HydrophobicContact CB-CD1 4.33Å; W66-Y85 PolarHBondContact N-O 2.87Å; W66-Y85 PolarHBondContact O-N 3.17Å; V79-Y85 HydrophobicContact CG2-CD2 4.48Å; V79-Y85 HydrophobicContact CG2-CG 4.23Å; Y85-P87 HydrophobicContact CD1-CG 4.27Å; Y85-P87 HydrophobicContact CE1-CB 4.28Å; Y85-P87 HydrophobicContact CE1-CG 3.66Å; Y85-V97 HydrophobicContact CD1-CG1 4.11Å; Y85-V97 HydrophobicContact CD1-CG2 4.27Å; Y85-V97 HydrophobicContact CD2-CG1 4.08Å; Y85-V97 HydrophobicContact CD2-CG2 4.26Å; Y85-V97 HydrophobicContact CE1-CG1 4.4Å; Y85-V97 HydrophobicContact CE1-CG2 3.72Å; Y85-V97 HydrophobicContact CE2-CG1 4.4Å; Y85-V97 HydrophobicContact CE2-CG2 3.73Å; Y85-V97 HydrophobicContact CG-CG1 3.94Å; Y85-V97 VanDerWaalsContact CZ-CG2 3.44Å
86V96.8Very high93Very high64 Ų6466.3 Ų66.339%0.38838%0.382SS..  trans-123.5113.4173.6-176.10000107P65 L84 K88P65-V86 HydrophobicContact CB-CG2 4.31Å; L84-V86 HydrophobicContact CD2-CG2 3.85Å; L84-V86 HydrophobicContact CG-CG2 4.14Å; V86-K88 PolarHBondContact O-N 2.9Å
87P95.4Very high93.1Very high1 Ų164.9 Ų64.91%0.00637%0.373CS..  trans-58.1133.8176.9-19.629000110.3V21 T60 Y61 G63 H64 Y85V21-P87 HydrophobicContact CB-CB 4.08Å; V21-P87 HydrophobicContact CG1-CB 4.14Å; V21-P87 HydrophobicContact CG2-CB 4.03Å; T60-P87 HydrophobicContact CG2-CB 4.07Å; T60-P87 HydrophobicContact CG2-CG 3.43Å; T60-P87 VanDerWaalsContact CG2-CG 3.43Å; Y61-P87 WeakPolarHBondContact O-CG 3.37Å; G63-P87 PolarHBondContact N-O 3.39Å; H64-P87 WeakPolarHBondContact O-CD 3.39Å; Y85-P87 HydrophobicContact CD1-CG 4.27Å; Y85-P87 HydrophobicContact CE1-CB 4.28Å; Y85-P87 HydrophobicContact CE1-CG 3.66Å
88K94Very high93.1Very high162 Ų16266.2 Ų66.270%0.70438%0.379SS*.  trans-108.3160.2170.6-66.6-174.3177.2-170.30108.4V86 S90V86-K88 PolarHBondContact O-N 2.9Å; K88-S90 PolarHBondContact O-N 3.09Å; K88-S90 VanDerWaalsContact O-N 3.13Å
89P91.6Very high93.1Very high100 Ų10063.5 Ų63.565%0.64937%0.368SS*.  trans-51.3123.8171.5-24.133.5000109.9V62V62-P89 HydrophobicContact CG1-CG 4.23Å; V62-P89 HydrophobicContact CG2-CB 4.5Å; V62-P89 HydrophobicContact CG2-CG 4.02Å
90S84.4Confident93.2Very high47 Ų4765.4 Ų65.433%0.32938%0.38SS..  trans-127.8155.5172.164.80000107.8K88 V95K88-S90 PolarHBondContact O-N 3.09Å; K88-S90 VanDerWaalsContact O-N 3.13Å; S90-V95 WeakPolarHBondContact OG-CG2 3.02Å
91G81.9Confident93.2Very high62 Ų6267 Ų6764%0.63939%0.387SS*.  trans-64.1-167.8170.400000112.2A93G91-A93 PolarHBondContact O-N 2.77Å; G91-A93 VanDerWaalsContact O-N 3.09Å
92D80Confident93.3Very high165 Ų16562.7 Ų62.788%0.88236%0.358SS*.SBendtrans-65.6-17.3-173.8-68.2-16.1000114.6
93A87.4Confident93.1Very high79 Ų7963.2 Ų63.265%0.65337%0.372SS*.SBendtrans-71.1135.1179.400000112G91 V95G91-A93 PolarHBondContact O-N 2.77Å; G91-A93 VanDerWaalsContact O-N 3.09Å; A93-V95 PolarHBondContact O-N 3.09Å
94A90.8Very high93Very high30 Ų3062.5 Ų62.525%0.24837%0.371CS..PPolyproline II helixtrans-67.3128.3178.400000111.8N22 V24N22-A94 HydrophobicContact CB-CB 4.25Å; N22-A94 CarbonylContact O-C 3.54Å; N22-A94 VanDerWaalsContact O-CA 3.31Å; N22-A94 WeakPolarHBondContact O-CA 3.45Å; V24-A94 HydrophobicContact CG2-CB 3.82Å
95V95.1Very high93Very high45 Ų4563.3 Ų63.327%0.27338%0.38SS..EExtended strand (participates in β ladder)trans-81.3127-180-178.40000110.2N22 V23 V24 S90 A93 V97N22-V95 PolarHBondContact O-N 2.93Å; V23-V95 CarbonylContact C-O 3.58Å; V23-V95 VanDerWaalsContact CA-O 3.3Å; V23-V95 WeakPolarHBondContact CA-O 3.32Å; V23-V95 HydrophobicContact CG1-CB 4.42Å; V24-V95 PolarHBondContact N-O 2.79Å; S90-V95 WeakPolarHBondContact OG-CG2 3.02Å; A93-V95 PolarHBondContact O-N 3.09Å; V95-V97 HydrophobicContact CG1-CG2 4.5Å
96H96.2Very high93Very high110 Ų11069.3 Ų69.351%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-80.4128.6175-70.669.8000110.6
97V97.7Very high93Very high0 Ų071.1 Ų71.10%042%0.415CS..EExtended strand (participates in β ladder)trans-121102.1-176179.70000107.5V23 V24 F25 C26 F68 V79 Y85 V95V23-V97 HydrophobicContact CB-CG2 4.07Å; V23-V97 HydrophobicContact CG1-CG2 4.29Å; V24-V97 PolarHBondContact O-N 2.85Å; F25-V97 HydrophobicContact CD1-CB 3.67Å; F25-V97 HydrophobicContact CD1-CG1 3.87Å; F25-V97 HydrophobicContact CD1-CG2 4.03Å; F25-V97 HydrophobicContact CE1-CB 4.09Å; F25-V97 HydrophobicContact CE1-CG1 3.99Å; F25-V97 HydrophobicContact CE1-CG2 4.1Å; C26-V97 PolarHBondContact N-O 2.77Å; F68-V97 HydrophobicContact CE2-CG1 4.5Å; F68-V97 HydrophobicContact CZ-CG1 4.38Å; V79-V97 HydrophobicContact CG2-CG1 3.15Å; Y85-V97 HydrophobicContact CD1-CG1 4.11Å; Y85-V97 HydrophobicContact CD1-CG2 4.27Å; Y85-V97 HydrophobicContact CD2-CG1 4.08Å; Y85-V97 HydrophobicContact CD2-CG2 4.26Å; Y85-V97 HydrophobicContact CE1-CG1 4.4Å; Y85-V97 HydrophobicContact CE1-CG2 3.72Å; Y85-V97 HydrophobicContact CE2-CG1 4.4Å; Y85-V97 HydrophobicContact CE2-CG2 3.73Å; Y85-V97 HydrophobicContact CG-CG1 3.94Å; Y85-V97 VanDerWaalsContact CZ-CG2 3.44Å; V95-V97 HydrophobicContact CG1-CG2 4.5Å
98N98.4Very high93Very high31 Ų3174.1 Ų74.117%0.16643%0.431CS..EExtended strand (participates in β ladder)trans-90.2118.4-169.5-58.2-51.5000110.4R28 V79 N80R28-N98 PolarHBondContact NE-OD1 3.13Å; R28-N98 VanDerWaalsContact NH2-CG 3.28Å; R28-N98 PolarHBondContact NH2-ND2 2.7Å; R28-N98 PolarHBondContact NH2-OD1 3.02Å; V79-N98 CarbonylContact C-O 3.45Å; V79-N98 WeakPolarHBondContact CA-O 3.39Å; N80-N98 PolarHBondContact N-O 2.94Å; N80-N98 WeakPolarHBondContact OD1-CB 3.29Å; N80-N98 PolarHBondContact OD1-N 2.73Å
99I98.6Very high93.1Very high0 Ų071.7 Ų71.70%042%0.417CS..EExtended strand (participates in β ladder)trans-96.1122.2177.6-54.8150000107.6F25 C26 R28 V33 M50 F68 L77 K78F25-I99 HydrophobicContact CB-CD1 4.13Å; C26-I99 PolarHBondContact O-N 2.98Å; R28-I99 WeakPolarHBondContact CB-O 3.25Å; R28-I99 PolarHBondContact N-O 2.83Å; V33-I99 HydrophobicContact CG1-CD1 4.25Å; V33-I99 HydrophobicContact CG1-CG2 4.18Å; V33-I99 HydrophobicContact CG2-CG2 4.28Å; M50-I99 HydrophobicContact CE-CD1 4.21Å; M50-I99 HydrophobicContact SD-CD1 4.21Å; F68-I99 HydrophobicContact CB-CG1 4.46Å; F68-I99 HydrophobicContact CB-CG2 3.91Å; F68-I99 HydrophobicContact CD1-CD1 3.38Å; F68-I99 HydrophobicContact CD1-CG1 3.69Å; F68-I99 HydrophobicContact CD2-CG1 4.17Å; F68-I99 HydrophobicContact CE1-CD1 3.43Å; F68-I99 VanDerWaalsContact CE1-CD1 3.43Å; F68-I99 HydrophobicContact CE1-CG1 3.87Å; F68-I99 HydrophobicContact CE2-CG1 4.36Å; F68-I99 HydrophobicContact CG-CD1 4.06Å; F68-I99 HydrophobicContact CG-CG1 3.83Å; F68-I99 HydrophobicContact CG-CG2 4.21Å; F68-I99 HydrophobicContact CZ-CD1 4.16Å; F68-I99 HydrophobicContact CZ-CG1 4.2Å; L77-I99 HydrophobicContact CB-CG2 3.88Å; L77-I99 HydrophobicContact CD1-CG2 3.89Å; K78-I99 CarbonylContact O-C 3.6Å; K78-I99 VanDerWaalsContact O-CA 3.28Å; K78-I99 WeakPolarHBondContact O-CA 3.35Å
100T98.3Very high93.3Very high42 Ų4269.2 Ų69.226%0.25841%0.406SS..EExtended strand (participates in β ladder)trans-131164.4-174.760.20000111.1R28 K78R28-T100 HydrophobicContact CB-CG2 4.38Å; K78-T100 PolarHBondContact N-O 2.77Å; K78-T100 PolarHBondContact O-N 3.25Å
101L96.4Very high93.9Very high94 Ų9467.7 Ų67.749%0.49239%0.394SS..  trans-63152.7170-61.9176.1000110.7T29 R31 L77T29-L101 HydrophobicContact CG2-CD2 4.07Å; T29-L101 HydrophobicContact CG2-CG 4.06Å; R31-L101 HydrophobicContact CG-CD2 4.38Å; L77-L101 HydrophobicContact CD2-CD2 4.06Å
102T93.9Very high94.6Very high22 Ų2265.7 Ų65.714%0.13537%0.367CS..  trans-76.7150.4167.945.30000110.1P76 K78 D104P76-T102 HydrophobicContact CB-CG2 4.47Å; P76-T102 HydrophobicContact CG-CG2 4.49Å; P76-T102 VanDerWaalsContact O-CG2 3.25Å; P76-T102 WeakPolarHBondContact O-CG2 3.44Å; K78-T102 HydrophobicContact CD-CG2 4.23Å; K78-T102 HydrophobicContact CG-CG2 3.82Å; T102-D104 WeakPolarHBondContact CB-OD1 3.35Å; T102-D104 PolarHBondContact O-N 2.88Å; T102-D104 PolarHBondContact OG1-OD1 3.16Å; T102-D104 PolarHBondContact OG1-OD2 2.94Å
103V91.1Very high95.4Very high152 Ų15259.8 Ų59.892%0.92134%0.341SS*.  trans-90.386.7164.2-176.80000106.3
104D91.8Very high95.8Very high45 Ų4558.1 Ų58.124%0.24132%0.323CS..  trans-80.5161.2-178.6-60.2-42000111.6T102 D108 Y112T102-D104 WeakPolarHBondContact CB-OD1 3.35Å; T102-D104 PolarHBondContact O-N 2.88Å; T102-D104 PolarHBondContact OG1-OD1 3.16Å; T102-D104 PolarHBondContact OG1-OD2 2.94Å; D104-D108 HydrophobicContact CB-CB 4.1Å; D104-Y112 WeakPolarHBondContact OD2-CE2 3.28Å
105S96Very high96.1Very high55 Ų5558.8 Ų58.839%0.38532%0.319SS..  trans-62.2153.7165.776.40000110.2K107 D108 R109S105-K107 PolarHBondContact O-N 2.84Å; S105-D108 PolarHBondContact O-N 3.45Å; S105-D108 PolarHBondContact OG-N 2.87Å; S105-D108 PolarHBondContact OG-OD2 3.33Å; S105-R109 PolarHBondContact O-N 2.85Å
106L96.8Very high96.1Very high150 Ų15062.4 Ų62.479%0.78533%0.327SS*.Hα-helixtrans-56.3-36.7174.4179.260.6000111.4R109 A110L106-R109 PolarHBondContact O-N 3.4Å; L106-A110 VanDerWaalsContact O-CB 3.28Å; L106-A110 WeakPolarHBondContact O-CB 3.46Å; L106-A110 PolarHBondContact O-N 2.82Å
107K96.8Very high96.1Very high102 Ų10264.4 Ų64.444%0.44334%0.341SS..Hα-helixtrans-58.1-56.1175.1-179.8-175.5174.5-176.30111S105 R109 A110 L111 D135S105-K107 PolarHBondContact O-N 2.84Å; K107-R109 VanDerWaalsContact C-N 3.3Å; K107-R109 PolarHBondContact O-N 2.96Å; K107-A110 PolarHBondContact O-N 3.39Å; K107-L111 HydrophobicContact CG-CD1 4.18Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 2.76Å; K107-D135 WeakPolarHBondContact CE-OD2 3.38Å; K107-D135 IonicContact NZ-OD1 2.66Å; K107-D135 PolarHBondContact NZ-OD1 3.2Å; K107-D135 IonicContact NZ-OD2 2.73Å; K107-D135 PolarHBondContact NZ-OD2 3.1Å
108D95.3Very high96.1Very high63 Ų6366 Ų6634%0.33735%0.351SS..Hα-helixtrans-62.5-41.1-177.8-61.4-41.7000111.2D104 S105 A110 L111 Y112D104-D108 HydrophobicContact CB-CB 4.1Å; S105-D108 PolarHBondContact O-N 3.45Å; S105-D108 PolarHBondContact OG-N 2.87Å; S105-D108 PolarHBondContact OG-OD2 3.33Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.77Å; D108-L111 PolarHBondContact O-N 2.65Å; D108-Y112 HydrophobicContact CB-CE2 4.4Å; D108-Y112 WeakPolarHBondContact O-CD2 3.33Å; D108-Y112 PolarHBondContact O-N 2.75Å
109R95.7Very high96Very high111 Ų11173.2 Ų73.242%0.41938%0.376SS..Hα-helixtrans-63.7-39.8177.5-173.264-171.9121.10.9112.3S105 L106 K107 Y112 A113S105-R109 PolarHBondContact O-N 2.85Å; L106-R109 PolarHBondContact O-N 3.4Å; K107-R109 VanDerWaalsContact C-N 3.3Å; K107-R109 PolarHBondContact O-N 2.96Å; R109-Y112 PolarHBondContact O-N 3.28Å; R109-A113 PolarHBondContact O-N 3.12Å
110A97.1Very high95.9Very high49 Ų4977 Ų7741%0.40540%0.4SS..Hα-helixtrans-65.5-43.6174.900000111.3L106 K107 D108 Y112 A113 V114L106-A110 VanDerWaalsContact O-CB 3.28Å; L106-A110 WeakPolarHBondContact O-CB 3.46Å; L106-A110 PolarHBondContact O-N 2.82Å; K107-A110 PolarHBondContact O-N 3.39Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.77Å; A110-Y112 VanDerWaalsContact C-N 3.31Å; A110-Y112 PolarHBondContact O-N 3.3Å; A110-A113 WeakPolarHBondContact O-CB 3.37Å; A110-A113 PolarHBondContact O-N 2.97Å; A110-A113 VanDerWaalsContact O-N 3.11Å; A110-V114 WeakPolarHBondContact O-CG2 3.48Å; A110-V114 PolarHBondContact O-N 3.39Å
111L97.7Very high95.9Very high14 Ų1481.6 Ų81.67%0.07342%0.419CS..Hα-helixtrans-58.1-44174.9-68169.6000111.2K107 D108 A113 V114 R115 D135 L136K107-L111 HydrophobicContact CG-CD1 4.18Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 2.76Å; D108-L111 PolarHBondContact O-N 2.65Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 3.01Å; L111-V114 PolarHBondContact O-N 2.69Å; L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.33Å; L111-R115 PolarHBondContact O-N 3.15Å; L111-D135 HydrophobicContact CD1-CB 3.81Å; L111-D135 HydrophobicContact CD2-CB 3.86Å; L111-L136 HydrophobicContact CB-CD2 4.38Å; L111-L136 HydrophobicContact CD2-CD2 3.55Å; L111-L136 HydrophobicContact CD2-CG 3.7Å
112Y95.6Very high95.9Very high21 Ų2179.5 Ų79.58%0.08241%0.408CS..Hα-helixtrans-61.4-39.8175.1-62.6-21.1000113E75 D104 D108 R109 A110 R116 P140E75-Y112 HydrophobicContact CG-CD1 3.71Å; E75-Y112 HydrophobicContact CG-CD2 4.04Å; E75-Y112 HydrophobicContact CG-CE1 3.79Å; E75-Y112 HydrophobicContact CG-CE2 4.07Å; E75-Y112 HydrophobicContact CG-CG 3.87Å; E75-Y112 WeakPolarHBondContact OE1-CB 3.26Å; E75-Y112 VanDerWaalsContact OE2-CD2 3.29Å; E75-Y112 WeakPolarHBondContact OE2-CD2 3.27Å; D104-Y112 WeakPolarHBondContact OD2-CE2 3.28Å; D108-Y112 HydrophobicContact CB-CE2 4.4Å; D108-Y112 WeakPolarHBondContact O-CD2 3.33Å; D108-Y112 PolarHBondContact O-N 2.75Å; R109-Y112 PolarHBondContact O-N 3.28Å; A110-Y112 VanDerWaalsContact C-N 3.31Å; A110-Y112 PolarHBondContact O-N 3.3Å; Y112-R116 WeakPolarHBondContact O-CD 3.3Å; Y112-R116 VanDerWaalsContact O-CG 3.29Å; Y112-R116 WeakPolarHBondContact O-CG 3.35Å; Y112-R116 PolarHBondContact O-N 3.44Å; Y112-R116 PolarHBondContact O-NE 3.28Å; Y112-P140 HydrophobicContact CD1-CG 4.23Å; Y112-P140 HydrophobicContact CE1-CG 3.44Å; Y112-P140 VanDerWaalsContact CE1-CG 3.44Å
113A96.3Very high96.1Very high40 Ų4079.2 Ų79.233%0.33141%0.405SS..Hα-helixtrans-65-46.7176.100000111.4R109 A110 L111 R115 R116 L117R109-A113 PolarHBondContact O-N 3.12Å; A110-A113 WeakPolarHBondContact O-CB 3.37Å; A110-A113 PolarHBondContact O-N 2.97Å; A110-A113 VanDerWaalsContact O-N 3.11Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 3.01Å; A113-R115 PolarHBondContact O-N 2.84Å; A113-R116 PolarHBondContact O-N 2.84Å; A113-L117 WeakPolarHBondContact O-CG 3.45Å; A113-L117 PolarHBondContact O-N 2.92Å
114V97.6Very high96.4Very high45 Ų4577.3 Ų77.327%0.27338%0.381SS..Hα-helixtrans-63-44.2-179.9175.20000111.4A110 L111 R116 L117 V118 L126 L136A110-V114 WeakPolarHBondContact O-CG2 3.48Å; A110-V114 PolarHBondContact O-N 3.39Å; L111-V114 PolarHBondContact O-N 2.69Å; V114-R116 PolarHBondContact O-N 2.9Å; V114-R116 VanDerWaalsContact O-N 3.11Å; V114-L117 PolarHBondContact O-N 2.9Å; V114-V118 HydrophobicContact CG1-CB 4.32Å; V114-V118 HydrophobicContact CG1-CG2 4.01Å; V114-V118 PolarHBondContact O-N 2.65Å; V114-L126 HydrophobicContact CG1-CD1 3.81Å; V114-L136 HydrophobicContact CB-CD2 3.76Å; V114-L136 HydrophobicContact CG1-CD1 3.84Å; V114-L136 HydrophobicContact CG1-CD2 3.6Å; V114-L136 HydrophobicContact CG1-CG 4.4Å
115R96.9Very high96.7Very high43 Ų4382.5 Ų82.516%0.16240%0.401CS..Hα-helixtrans-60.2-23.8178.6-71.1-175.6-170.1116.5-2.9113.9L111 A113 Y123 D135 L136 N138L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.33Å; L111-R115 PolarHBondContact O-N 3.15Å; A113-R115 PolarHBondContact O-N 2.84Å; R115-Y123 WeakPolarHBondContact CG-OH 3.39Å; R115-D135 PolarHBondContact NH2-O 3.41Å; R115-L136 HydrophobicContact CG-CD2 3.96Å; R115-L136 PolarHBondContact NE-O 2.93Å; R115-N138 PolarHBondContact NH2-O 3.21Å
116R94.6Very high96.8Very high121 Ų12182.3 Ų82.346%0.45740%0.396SS..Hα-helixtrans-84.4-24.7176.5-66.8168-169-149.7-6.2113.4E75 Y112 A113 V114E75-R116 IonicContact OE1-CZ 3.85Å; E75-R116 IonicContact OE1-NE 2.87Å; E75-R116 PolarHBondContact OE1-NE 3.25Å; E75-R116 IonicContact OE1-NH2 3.01Å; E75-R116 PolarHBondContact OE1-NH2 3.05Å; E75-R116 IonicContact OE2-NH2 3.83Å; E75-R116 PolarHBondContact OE2-NH2 2.96Å; Y112-R116 WeakPolarHBondContact O-CD 3.3Å; Y112-R116 VanDerWaalsContact O-CG 3.29Å; Y112-R116 WeakPolarHBondContact O-CG 3.35Å; Y112-R116 PolarHBondContact O-N 3.44Å; Y112-R116 PolarHBondContact O-NE 3.28Å; A113-R116 PolarHBondContact O-N 2.84Å; V114-R116 PolarHBondContact O-N 2.9Å; V114-R116 VanDerWaalsContact O-N 3.11Å
117L96.8Very high96.8Very high152 Ų15284.8 Ų84.880%0.79640%0.403SS*.Hα-helixtrans-98.8-28-174.7-66.2173.2000112.3A113 V114A113-L117 WeakPolarHBondContact O-CG 3.45Å; A113-L117 PolarHBondContact O-N 2.92Å; V114-L117 PolarHBondContact O-N 2.9Å
118V97.1Very high96.9Very high34 Ų3483.3 Ų83.321%0.20640%0.4CS..SBendtrans-118.8137.1-173.2-172.30000109.3V114 D122 Y123 L126V114-V118 HydrophobicContact CG1-CB 4.32Å; V114-V118 HydrophobicContact CG1-CG2 4.01Å; V114-V118 PolarHBondContact O-N 2.65Å; V118-D122 HydrophobicContact CG1-CB 3.76Å; V118-Y123 HydrophobicContact CB-CD1 4.16Å; V118-Y123 HydrophobicContact CB-CE1 4.01Å; V118-Y123 HydrophobicContact CG1-CD1 3.84Å; V118-Y123 HydrophobicContact CG1-CE1 4.13Å; V118-Y123 VanDerWaalsContact O-CE1 3.28Å; V118-Y123 WeakPolarHBondContact O-CE1 3.24Å; V118-L126 HydrophobicContact CG1-CD1 4.46Å; V118-L126 HydrophobicContact CG1-CD2 4.45Å; V118-L126 HydrophobicContact CG2-CD2 4.32Å
119R96.7Very high97Very high182 Ų18283 Ų8369%0.68741%0.406SS*.  trans-74.3149.1175.6-59.8-177.6175.5177.1-0.9110.6E121 D122 Y123R119-E121 VanDerWaalsContact CB-OE2 3.26Å; R119-E121 WeakPolarHBondContact CB-OE2 3.47Å; R119-E121 PolarHBondContact O-N 3.22Å; R119-E121 VanDerWaalsContact O-N 3.15Å; R119-D122 PolarHBondContact O-N 2.68Å; R119-Y123 WeakPolarHBondContact O-CD1 3.19Å; R119-Y123 WeakPolarHBondContact O-CE1 3.42Å
120P96.4Very high97Very high80 Ų8086.2 Ų86.252%0.51942%0.418SS..G310 helixtrans-55.1-34.4-178-26.836000114.6D122 Y123P120-D122 PolarHBondContact O-N 3.22Å; P120-Y123 HydrophobicContact CB-CD2 4.4Å; P120-Y123 HydrophobicContact CB-CE2 3.98Å; P120-Y123 HydrophobicContact CG-CE2 4.38Å; P120-Y123 PolarHBondContact O-N 2.89Å
121E97.1Very high97Very high138 Ų13887.4 Ų87.465%0.64542%0.422SS*.G310 helixtrans-68.1-19.9-179.5-5273.5-148.900112.6R119R119-E121 VanDerWaalsContact CB-OE2 3.26Å; R119-E121 WeakPolarHBondContact CB-OE2 3.47Å; R119-E121 PolarHBondContact O-N 3.22Å; R119-E121 VanDerWaalsContact O-N 3.15Å
122D97.8Very high97Very high51 Ų5189.5 Ų89.527%0.27343%0.433SS..G310 helixtrans-99.4-5-177.5-65.2-39.7000113V118 R119 P120 R124 K125V118-D122 HydrophobicContact CG1-CB 3.76Å; R119-D122 PolarHBondContact O-N 2.68Å; P120-D122 PolarHBondContact O-N 3.22Å; D122-R124 VanDerWaalsContact C-N 3.29Å; D122-R124 PolarHBondContact O-N 3.18Å; D122-K125 HydrophobicContact CB-CD 4.35Å; D122-K125 WeakPolarHBondContact O-CB 3.26Å; D122-K125 PolarHBondContact O-N 2.89Å; D122-K125 WeakPolarHBondContact OD1-CD 3.32Å; D122-K125 WeakPolarHBondContact OD1-CE 3.5Å; D122-K125 IonicContact OD1-NZ 3.76Å; D122-K125 PolarHBondContact OD1-NZ 3.37Å
123Y97.7Very high97.1Very high15 Ų1589.4 Ų89.46%0.05943%0.433CS..G310 helixtrans-55.5-43.6-178.7-68.3-15.8000112.4R115 V118 R119 P120 K125 L126 H133 L136 E137R115-Y123 WeakPolarHBondContact CG-OH 3.39Å; V118-Y123 HydrophobicContact CB-CD1 4.16Å; V118-Y123 HydrophobicContact CB-CE1 4.01Å; V118-Y123 HydrophobicContact CG1-CD1 3.84Å; V118-Y123 HydrophobicContact CG1-CE1 4.13Å; V118-Y123 VanDerWaalsContact O-CE1 3.28Å; V118-Y123 WeakPolarHBondContact O-CE1 3.24Å; R119-Y123 WeakPolarHBondContact O-CD1 3.19Å; R119-Y123 WeakPolarHBondContact O-CE1 3.42Å; P120-Y123 HydrophobicContact CB-CD2 4.4Å; P120-Y123 HydrophobicContact CB-CE2 3.98Å; P120-Y123 HydrophobicContact CG-CE2 4.38Å; P120-Y123 PolarHBondContact O-N 2.89Å; Y123-K125 PolarHBondContact O-N 2.85Å; Y123-L126 WeakPolarHBondContact O-CB 3.42Å; Y123-L126 WeakPolarHBondContact O-CG 3.43Å; Y123-L126 PolarHBondContact O-N 2.9Å; Y123-H133 PolarHBondContact O-CD2 2.84Å; Y123-H133 PolarHBondContact O-NE2 2.62Å; Y123-L136 HydrophobicContact CD1-CB 4.5Å; Y123-L136 HydrophobicContact CD1-CD1 4.32Å; Y123-L136 HydrophobicContact CD2-CB 3.71Å; Y123-L136 HydrophobicContact CE2-CB 4.06Å; Y123-L136 HydrophobicContact CG-CB 3.98Å; Y123-L136 HydrophobicContact CG-CD1 4.28Å; Y123-E137 HydrophobicContact CD2-CG 4.19Å
124R97.5Very high97.2Very high113 Ų11391.5 Ų91.543%0.42644%0.437SS..G310 helixtrans-70.7-10.1180-66.4-70.6179.5169.50.8114.3D122 E137D122-R124 VanDerWaalsContact C-N 3.29Å; D122-R124 PolarHBondContact O-N 3.18Å; R124-E137 IonicContact CZ-OE1 3.57Å; R124-E137 IonicContact CZ-OE2 3Å; R124-E137 IonicContact NE-OE1 3.45Å; R124-E137 PolarHBondContact NE-OE1 2.85Å; R124-E137 IonicContact NE-OE2 3.15Å; R124-E137 VanDerWaalsContact NH2-CD 3.32Å; R124-E137 IonicContact NH2-OE1 2.84Å; R124-E137 PolarHBondContact NH2-OE1 3.14Å; R124-E137 IonicContact NH2-OE2 2.78Å; R124-E137 PolarHBondContact NH2-OE2 2.66Å
125K97.6Very high97.2Very high153 Ų15391.4 Ų91.467%0.66544%0.435SS*.G310 helixtrans-87.2-13.6175.9-57177.4-174.7167.50112.5D122 Y123D122-K125 HydrophobicContact CB-CD 4.35Å; D122-K125 WeakPolarHBondContact O-CB 3.26Å; D122-K125 PolarHBondContact O-N 2.89Å; D122-K125 WeakPolarHBondContact OD1-CD 3.32Å; D122-K125 WeakPolarHBondContact OD1-CE 3.5Å; D122-K125 IonicContact OD1-NZ 3.76Å; D122-K125 PolarHBondContact OD1-NZ 3.37Å; Y123-K125 PolarHBondContact O-N 2.85Å
126L97.4Very high97.2Very high52 Ų5289.4 Ų89.427%0.27243%0.427SS..SBendtrans-69133.7178.8-61.8175.3000110.5V114 V118 Y123 I128 H133 L136V114-L126 HydrophobicContact CG1-CD1 3.81Å; V118-L126 HydrophobicContact CG1-CD1 4.46Å; V118-L126 HydrophobicContact CG1-CD2 4.45Å; V118-L126 HydrophobicContact CG2-CD2 4.32Å; Y123-L126 WeakPolarHBondContact O-CB 3.42Å; Y123-L126 WeakPolarHBondContact O-CG 3.43Å; Y123-L126 PolarHBondContact O-N 2.9Å; L126-I128 HydrophobicContact CB-CD1 4.04Å; L126-I128 HydrophobicContact CB-CG1 3.94Å; L126-I128 HydrophobicContact CD1-CD1 4.11Å; L126-I128 PolarHBondContact O-N 2.84Å; L126-H133 PolarHBondContact O-CE1 3.48Å; L126-H133 PolarHBondContact O-NE2 2.9Å; L126-L136 HydrophobicContact CD1-CD1 3.77Å
127E97.7Very high97.3Very high201 Ų20188.1 Ų88.194%0.93943%0.426SS*.SBendtrans-76.760.3177.1-61.4-173.5158.200111.9
128I97.3Very high97.3Very high71 Ų7184.9 Ų84.936%0.36441%0.409SS..SBendtrans-127.4166.5-18063.3179.8000110.6L126 L132 H133 L136L126-I128 HydrophobicContact CB-CD1 4.04Å; L126-I128 HydrophobicContact CB-CG1 3.94Å; L126-I128 HydrophobicContact CD1-CD1 4.11Å; L126-I128 PolarHBondContact O-N 2.84Å; I128-L132 HydrophobicContact CB-CD1 4.26Å; I128-L132 HydrophobicContact CD1-CB 3.75Å; I128-L132 HydrophobicContact CG1-CB 4.19Å; I128-H133 WeakPolarHBondContact CG1-NE2 3.33Å; I128-H133 PolarHBondContact O-CE1 3.29Å; I128-L136 HydrophobicContact CD1-CD1 3.87Å
129A97.6Very high97.3Very high56 Ų5686.5 Ų86.546%0.46342%0.421SS..  trans-58.6142.7178.200000111.8C131 L132 H133A129-C131 PolarHBondContact O-N 2.86Å; A129-C131 VanDerWaalsContact O-N 3.16Å; A129-L132 HydrophobicContact CB-CD1 4.44Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 WeakPolarHBondContact O-CA 2.89Å; A129-L132 WeakPolarHBondContact O-CB 3.44Å; A129-L132 PolarHBondContact O-N 2.82Å; A129-H133 PolarHBondContact O-N 2.97Å
130R96.8Very high97.2Very high180 Ų18079 Ų7968%0.67940%0.395SS*.Hα-helixtrans-52.7-39.8-178.3180-178.1168.7160.34113.8L132 H133 E134R130-L132 PolarHBondContact O-N 3.12Å; R130-H133 WeakPolarHBondContact O-CB 3.49Å; R130-H133 PolarHBondContact O-N 2.84Å; R130-H133 VanDerWaalsContact O-N 3.1Å; R130-E134 IonicContact CZ-OE1 2.67Å; R130-E134 IonicContact NE-OE1 3.52Å; R130-E134 PolarHBondContact NE-OE1 2.69Å; R130-E134 IonicContact NH2-OE1 3.37Å; R130-E134 PolarHBondContact O-N 2.85Å
131C97.3Very high97.3Very high73 Ų7377.6 Ų77.649%0.49338%0.384SS..Hα-helixtrans-60.8-31.6177.955.10000112.4A129 E134 D135A129-C131 PolarHBondContact O-N 2.86Å; A129-C131 VanDerWaalsContact O-N 3.16Å; C131-E134 PolarHBondContact O-N 2.82Å; C131-D135 VanDerWaalsContact O-CG 3.22Å; C131-D135 PolarHBondContact O-N 3.48Å
132L97.5Very high97.2Very high58 Ų5872.9 Ų72.930%0.30436%0.362SS..Hα-helixtrans-74.9-28.5176.6-62.8175.5000112.2I128 A129 R130 D135 L136I128-L132 HydrophobicContact CB-CD1 4.26Å; I128-L132 HydrophobicContact CD1-CB 3.75Å; I128-L132 HydrophobicContact CG1-CB 4.19Å; A129-L132 HydrophobicContact CB-CD1 4.44Å; A129-L132 HydrophobicContact CB-CG 4.49Å; A129-L132 WeakPolarHBondContact O-CA 2.89Å; A129-L132 WeakPolarHBondContact O-CB 3.44Å; A129-L132 PolarHBondContact O-N 2.82Å; R130-L132 PolarHBondContact O-N 3.12Å; L132-D135 PolarHBondContact O-N 2.93Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 2.82Å
133H97.9Very high97.2Very high19 Ų1975.7 Ų75.79%0.08837%0.373CS..Hα-helixtrans-64.2-46.1169.7-57.7136.2000111Y123 L126 I128 A129 R130 D135 L136 E137Y123-H133 PolarHBondContact O-CD2 2.84Å; Y123-H133 PolarHBondContact O-NE2 2.62Å; L126-H133 PolarHBondContact O-CE1 3.48Å; L126-H133 PolarHBondContact O-NE2 2.9Å; I128-H133 WeakPolarHBondContact CG1-NE2 3.33Å; I128-H133 PolarHBondContact O-CE1 3.29Å; A129-H133 PolarHBondContact O-N 2.97Å; R130-H133 WeakPolarHBondContact O-CB 3.49Å; R130-H133 PolarHBondContact O-N 2.84Å; R130-H133 VanDerWaalsContact O-N 3.1Å; H133-D135 VanDerWaalsContact C-N 3.29Å; H133-D135 PolarHBondContact O-N 3.44Å; H133-L136 WeakPolarHBondContact O-CB 3.32Å; H133-L136 PolarHBondContact O-N 3.44Å; H133-L136 VanDerWaalsContact O-N 3.15Å; H133-E137 WeakPolarHBondContact O-CG 3.38Å; H133-E137 PolarHBondContact O-N 3.3Å
134E97.7Very high97.1Very high85 Ų8580.1 Ų80.140%0.39739%0.393SS..Hα-helixtrans-62.2-39.3177.2-67166-170.400110.9R130 C131 E137 N138R130-E134 IonicContact CZ-OE1 2.67Å; R130-E134 IonicContact NE-OE1 3.52Å; R130-E134 PolarHBondContact NE-OE1 2.69Å; R130-E134 IonicContact NH2-OE1 3.37Å; R130-E134 PolarHBondContact O-N 2.85Å; C131-E134 PolarHBondContact O-N 2.82Å; E134-E137 PolarHBondContact O-N 3.26Å; E134-N138 PolarHBondContact O-N 3.16Å
135D97.6Very high97Very high43 Ų4376.2 Ų76.223%0.2338%0.38CS..Hα-helixtrans-61.7-46.9172.1-70.7-42000111.4K107 L111 R115 C131 L132 H133 E137 N138K107-D135 WeakPolarHBondContact CE-OD2 3.38Å; K107-D135 IonicContact NZ-OD1 2.66Å; K107-D135 PolarHBondContact NZ-OD1 3.2Å; K107-D135 IonicContact NZ-OD2 2.73Å; K107-D135 PolarHBondContact NZ-OD2 3.1Å; L111-D135 HydrophobicContact CD1-CB 3.81Å; L111-D135 HydrophobicContact CD2-CB 3.86Å; R115-D135 PolarHBondContact NH2-O 3.41Å; C131-D135 VanDerWaalsContact O-CG 3.22Å; C131-D135 PolarHBondContact O-N 3.48Å; L132-D135 PolarHBondContact O-N 2.93Å; H133-D135 VanDerWaalsContact C-N 3.29Å; H133-D135 PolarHBondContact O-N 3.44Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 2.88Å; D135-N138 PolarHBondContact O-N 3.41Å; D135-N138 VanDerWaalsContact O-N 3.12Å
136L97.7Very high97Very high1 Ų169.3 Ų69.31%0.00535%0.351CS..Hα-helixtrans-59.6-40.6178.4-74.6169.6000112.4L111 V114 R115 Y123 L126 I128 L132 H133 N138L111-L136 HydrophobicContact CB-CD2 4.38Å; L111-L136 HydrophobicContact CD2-CD2 3.55Å; L111-L136 HydrophobicContact CD2-CG 3.7Å; V114-L136 HydrophobicContact CB-CD2 3.76Å; V114-L136 HydrophobicContact CG1-CD1 3.84Å; V114-L136 HydrophobicContact CG1-CD2 3.6Å; V114-L136 HydrophobicContact CG1-CG 4.4Å; R115-L136 HydrophobicContact CG-CD2 3.96Å; R115-L136 PolarHBondContact NE-O 2.93Å; Y123-L136 HydrophobicContact CD1-CB 4.5Å; Y123-L136 HydrophobicContact CD1-CD1 4.32Å; Y123-L136 HydrophobicContact CD2-CB 3.71Å; Y123-L136 HydrophobicContact CE2-CB 4.06Å; Y123-L136 HydrophobicContact CG-CB 3.98Å; Y123-L136 HydrophobicContact CG-CD1 4.28Å; L126-L136 HydrophobicContact CD1-CD1 3.77Å; I128-L136 HydrophobicContact CD1-CD1 3.87Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 2.82Å; H133-L136 WeakPolarHBondContact O-CB 3.32Å; H133-L136 PolarHBondContact O-N 3.44Å; H133-L136 VanDerWaalsContact O-N 3.15Å; L136-N138 PolarHBondContact O-N 3.25Å
137E97Very high96.9Very high93 Ų9372.2 Ų72.244%0.43536%0.363SS..Hα-helixtrans-69.1-12.1177.8-72.4172.7177.200114.2Y123 R124 H133 E134 D135 P139Y123-E137 HydrophobicContact CD2-CG 4.19Å; R124-E137 IonicContact CZ-OE1 3.57Å; R124-E137 IonicContact CZ-OE2 3Å; R124-E137 IonicContact NE-OE1 3.45Å; R124-E137 PolarHBondContact NE-OE1 2.85Å; R124-E137 IonicContact NE-OE2 3.15Å; R124-E137 VanDerWaalsContact NH2-CD 3.32Å; R124-E137 IonicContact NH2-OE1 2.84Å; R124-E137 PolarHBondContact NH2-OE1 3.14Å; R124-E137 IonicContact NH2-OE2 2.78Å; R124-E137 PolarHBondContact NH2-OE2 2.66Å; H133-E137 WeakPolarHBondContact O-CG 3.38Å; H133-E137 PolarHBondContact O-N 3.3Å; E134-E137 PolarHBondContact O-N 3.26Å; D135-E137 VanDerWaalsContact C-N 3.31Å; D135-E137 PolarHBondContact O-N 2.88Å; E137-P139 VanDerWaalsContact C-CD 3.4Å; E137-P139 WeakPolarHBondContact O-CD 3.43Å
138N96.3Very high96.8Very high84 Ų8468 Ų6845%0.44934%0.338SS..SBendtrans-106.178.5174.9-177.235.5000111.2R115 E134 D135 L136 K144R115-N138 PolarHBondContact NH2-O 3.21Å; E134-N138 PolarHBondContact O-N 3.16Å; D135-N138 PolarHBondContact O-N 3.41Å; D135-N138 VanDerWaalsContact O-N 3.12Å; L136-N138 PolarHBondContact O-N 3.25Å; N138-K144 PolarHBondContact OD1-NZ 3.49Å
139P95.7Very high96.7Very high69 Ų6965.4 Ų65.445%0.44833%0.325SS..  trans-68.7162-178.830.4-37000112.5E137E137-P139 VanDerWaalsContact C-CD 3.4Å; E137-P139 WeakPolarHBondContact O-CD 3.43Å
140P96.4Very high96.6Very high23 Ų2363.5 Ų63.515%0.14931%0.307CS..  trans-50.6140.6168.5-27.537.5000111.7D74 E75 Y112D74-P140 WeakPolarHBondContact O-CB 3.47Å; E75-P140 HydrophobicContact CG-CG 3.87Å; Y112-P140 HydrophobicContact CD1-CG 4.23Å; Y112-P140 HydrophobicContact CE1-CG 3.44Å; Y112-P140 VanDerWaalsContact CE1-CG 3.44Å
141N96.7Very high96.5Very high52 Ų5261.7 Ų61.728%0.27830%0.3SS..  trans-149117.2178.4-178.3-60.3000109.2D74 Q143 K144 D145D74-N141 VanDerWaalsContact OD2-CA 3.28Å; D74-N141 WeakPolarHBondContact OD2-CA 3.49Å; N141-Q143 PolarHBondContact O-N 3.26Å; N141-Q143 WeakPolarHBondContact OD1-CA 3.28Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.31Å; N141-Q143 PolarHBondContact OD1-N 2.92Å; N141-K144 HydrophobicContact CB-CB 4.28Å; N141-K144 HydrophobicContact CB-CD 4.13Å; N141-K144 HydrophobicContact CB-CG 4.02Å; N141-K144 PolarHBondContact O-N 2.97Å; N141-K144 VanDerWaalsContact O-N 3.16Å; N141-K144 PolarHBondContact OD1-N 3.31Å; N141-K144 VanDerWaalsContact OD1-N 3.15Å; N141-D145 PolarHBondContact O-N 2.94Å; N141-D145 VanDerWaalsContact O-N 3.09Å
142H96.9Very high96.4Very high38 Ų3864.4 Ų64.418%0.17630%0.3CS..Hα-helixtrans-62.7-27.3-176.865.1-86.8000113.5L36 L67 R69 D74 L146L36-H142 HydrophobicContact CD1-CB 3.91Å; L67-H142 HydrophobicContact CD1-CB 4.31Å; R69-H142 HydrophobicContact CG-CB 4.21Å; D74-H142 IonicContact OD1-CG 3.81Å; D74-H142 IonicContact OD1-ND1 3.25Å; D74-H142 PolarHBondContact OD1-ND1 3.15Å; D74-H142 IonicContact OD2-CE1 3.85Å; D74-H142 IonicContact OD2-CG 3.54Å; D74-H142 PolarHBondContact OD2-N 3.22Å; D74-H142 IonicContact OD2-ND1 2.77Å; D74-H142 PolarHBondContact OD2-ND1 3.44Å; H142-L146 VanDerWaalsContact O-CB 3.32Å; H142-L146 WeakPolarHBondContact O-CB 3.29Å; H142-L146 PolarHBondContact O-N 3.43Å
143Q96.6Very high96.2Very high111 Ų11164 Ų6452%0.51930%0.3SS..Hα-helixtrans-69.7-44.4175.1-55.6179.3-23.400110.9N141 D145 L146 Q147N141-Q143 PolarHBondContact O-N 3.26Å; N141-Q143 WeakPolarHBondContact OD1-CA 3.28Å; N141-Q143 WeakPolarHBondContact OD1-CB 3.31Å; N141-Q143 PolarHBondContact OD1-N 2.92Å; Q143-D145 VanDerWaalsContact C-N 3.28Å; Q143-D145 PolarHBondContact O-N 2.67Å; Q143-L146 PolarHBondContact O-N 2.67Å; Q143-Q147 WeakPolarHBondContact O-CG 3.29Å; Q143-Q147 PolarHBondContact O-N 3.24Å
144K96.1Very high96Very high107 Ų10767.1 Ų67.147%0.46531%0.314SS..Hα-helixtrans-60.2-41.6174.8-67.3-173.5-176.4179.60111.2N138 N141 Q147 R148N138-K144 PolarHBondContact OD1-NZ 3.49Å; N141-K144 HydrophobicContact CB-CB 4.28Å; N141-K144 HydrophobicContact CB-CD 4.13Å; N141-K144 HydrophobicContact CB-CG 4.02Å; N141-K144 PolarHBondContact O-N 2.97Å; N141-K144 VanDerWaalsContact O-N 3.16Å; N141-K144 PolarHBondContact OD1-N 3.31Å; N141-K144 VanDerWaalsContact OD1-N 3.15Å; K144-Q147 PolarHBondContact O-N 2.83Å; K144-R148 PolarHBondContact O-N 2.78Å
145D95.9Very high95.7Very high31 Ų3169.2 Ų69.217%0.16632%0.324CS..Hα-helixtrans-66.8-42.2177.4-73.6-20.4000112R69 N141 Q143 Q147 R148 I149R69-D145 IonicContact CZ-OD2 2.69Å; R69-D145 IonicContact NH1-OD2 3.41Å; R69-D145 PolarHBondContact NH1-OD2 3.47Å; R69-D145 IonicContact NH2-OD2 2.66Å; R69-D145 PolarHBondContact NH2-OD2 3.38Å; N141-D145 PolarHBondContact O-N 2.94Å; N141-D145 VanDerWaalsContact O-N 3.09Å; Q143-D145 VanDerWaalsContact C-N 3.28Å; Q143-D145 PolarHBondContact O-N 2.67Å; D145-Q147 VanDerWaalsContact C-N 3.34Å; D145-Q147 PolarHBondContact O-N 2.75Å; D145-R148 WeakPolarHBondContact O-CB 3.37Å; D145-R148 PolarHBondContact O-N 2.73Å; D145-R148 VanDerWaalsContact O-N 3.15Å; D145-I149 VanDerWaalsContact O-CG1 3.27Å; D145-I149 WeakPolarHBondContact O-CG1 3.42Å; D145-I149 PolarHBondContact O-N 3.49Å
146L96.3Very high95.4Very high9 Ų972.6 Ų72.65%0.04734%0.339CS..Hα-helixtrans-63-41.3176.9-173.560.9000111.4V12 I38 G42 H142 Q143 R148 I149 N150V12-L146 HydrophobicContact CB-CD1 4.16Å; V12-L146 HydrophobicContact CG1-CD1 3.86Å; I38-L146 HydrophobicContact CD1-CD1 4.19Å; I38-L146 HydrophobicContact CD1-CD2 3.82Å; I38-L146 HydrophobicContact CG1-CD1 4.23Å; I38-L146 HydrophobicContact CG2-CD2 4.32Å; G42-L146 VanDerWaalsContact O-CD2 3.29Å; G42-L146 WeakPolarHBondContact O-CD2 3.39Å; H142-L146 VanDerWaalsContact O-CB 3.32Å; H142-L146 WeakPolarHBondContact O-CB 3.29Å; H142-L146 PolarHBondContact O-N 3.43Å; Q143-L146 PolarHBondContact O-N 2.67Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 2.66Å; L146-I149 PolarHBondContact O-N 3.33Å; L146-N150 PolarHBondContact O-N 3.44Å; L146-N150 PolarHBondContact O-ND2 2.7Å
147Q95.8Very high94.9Very high112 Ų11276.9 Ų76.952%0.52336%0.361SS..Hα-helixtrans-59.2-42.9171.7-71.9172.6-9.700111.9Q143 K144 D145 I149 N150 R151Q143-Q147 WeakPolarHBondContact O-CG 3.29Å; Q143-Q147 PolarHBondContact O-N 3.24Å; K144-Q147 PolarHBondContact O-N 2.83Å; D145-Q147 VanDerWaalsContact C-N 3.34Å; D145-Q147 PolarHBondContact O-N 2.75Å; Q147-I149 VanDerWaalsContact C-N 3.34Å; Q147-I149 PolarHBondContact O-N 3.22Å; Q147-N150 PolarHBondContact O-N 3.37Å; Q147-R151 WeakPolarHBondContact O-CG 3.42Å; Q147-R151 PolarHBondContact O-N 3Å; Q147-R151 VanDerWaalsContact O-N 3.08Å
148R95.9Very high94.5Very high112 Ų11277.4 Ų77.442%0.42337%0.366SS..Hα-helixtrans-62.1-42.2175.7-171-175.282.8-174.56111.8E83 K144 D145 L146 R152E83-R148 IonicContact OE1-NH2 3.28Å; E83-R148 PolarHBondContact OE1-NH2 3.13Å; K144-R148 PolarHBondContact O-N 2.78Å; D145-R148 WeakPolarHBondContact O-CB 3.37Å; D145-R148 PolarHBondContact O-N 2.73Å; D145-R148 VanDerWaalsContact O-N 3.15Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 2.66Å; R148-R152 PolarHBondContact O-N 3.35Å
149I95.5Very high94.1Very high17 Ų1775.4 Ų75.49%0.08736%0.361CS..Hα-helixtrans-65.3-45.7177.8-65.4164.3000109.9V12 D145 L146 Q147 R151 R152 V153V12-I149 HydrophobicContact CG2-CG2 3.71Å; D145-I149 VanDerWaalsContact O-CG1 3.27Å; D145-I149 WeakPolarHBondContact O-CG1 3.42Å; D145-I149 PolarHBondContact O-N 3.49Å; L146-I149 PolarHBondContact O-N 3.33Å; Q147-I149 VanDerWaalsContact C-N 3.34Å; Q147-I149 PolarHBondContact O-N 3.22Å; I149-R151 PolarHBondContact O-N 2.97Å; I149-R152 WeakPolarHBondContact O-CB 3.46Å; I149-R152 PolarHBondContact O-N 3.41Å; I149-V153 HydrophobicContact CG2-CG2 4.34Å; I149-V153 WeakPolarHBondContact O-CG2 3.12Å; I149-V153 PolarHBondContact O-N 3.14Å
150N94.9Very high93.6Very high16 Ų1676.5 Ų76.59%0.08636%0.361CS..Hα-helixtrans-55-51.7176.9-80.6-33.6000111.9P10 P11 V12 L146 Q147 R152 V153 E154P10-N150 WeakPolarHBondContact CB-ND2 3.22Å; P11-N150 WeakPolarHBondContact CD-OD1 3.43Å; P11-N150 HydrophobicContact CG-CB 4.1Å; P11-N150 WeakPolarHBondContact CG-OD1 3.27Å; V12-N150 WeakPolarHBondContact CB-OD1 3.5Å; V12-N150 VanDerWaalsContact CG2-OD1 3.23Å; V12-N150 WeakPolarHBondContact CG2-OD1 3.44Å; V12-N150 PolarHBondContact N-OD1 2.94Å; L146-N150 PolarHBondContact O-N 3.44Å; L146-N150 PolarHBondContact O-ND2 2.7Å; Q147-N150 PolarHBondContact O-N 3.37Å; N150-R152 VanDerWaalsContact C-N 3.28Å; N150-R152 PolarHBondContact O-N 2.91Å; N150-V153 PolarHBondContact O-N 3.16Å; N150-E154 WeakPolarHBondContact O-CG 3.36Å; N150-E154 PolarHBondContact O-N 3.28Å
151R95.3Very high92.8Very high143 Ų14379 Ų7954%0.5438%0.378SS..Hα-helixtrans-56.9-41.2177.8-71.1-170.1-63.3-126.60.5112.9Q147 I149 V153 E154 Q155Q147-R151 WeakPolarHBondContact O-CG 3.42Å; Q147-R151 PolarHBondContact O-N 3Å; Q147-R151 VanDerWaalsContact O-N 3.08Å; I149-R151 PolarHBondContact O-N 2.97Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-E154 PolarHBondContact O-N 3.04Å; R151-Q155 VanDerWaalsContact O-CG 3.25Å; R151-Q155 WeakPolarHBondContact O-CG 3.28Å; R151-Q155 PolarHBondContact O-N 3.33Å; R151-Q155 VanDerWaalsContact O-N 3.08Å
152R95.1Very high91.7Very high129 Ų12983.6 Ų83.649%0.48740%0.398SS..Hα-helixtrans-63.7-39.6176.4-81.817447.3-161.9-13.5112E83 R148 I149 N150 H156E83-R152 IonicContact OE1-NH1 3.92Å; E83-R152 IonicContact OE2-CZ 3.65Å; E83-R152 IonicContact OE2-NH1 2.79Å; E83-R152 PolarHBondContact OE2-NH1 2.79Å; E83-R152 IonicContact OE2-NH2 3.38Å; R148-R152 PolarHBondContact O-N 3.35Å; I149-R152 WeakPolarHBondContact O-CB 3.46Å; I149-R152 PolarHBondContact O-N 3.41Å; N150-R152 VanDerWaalsContact C-N 3.28Å; N150-R152 PolarHBondContact O-N 2.91Å; R152-H156 PolarHBondContact O-N 2.85Å
153V93.2Very high90.2Very high49 Ų4989.7 Ų89.730%0.29743%0.427SS..Hα-helixtrans-70.1-43.8178.9175.60000110.6P11 V12 I149 N150 R151 Q155 H156 L157P11-V153 HydrophobicContact CB-CB 4.32Å; P11-V153 HydrophobicContact CB-CG1 3.72Å; P11-V153 HydrophobicContact CG-CB 4.06Å; P11-V153 HydrophobicContact CG-CG1 4.03Å; V12-V153 HydrophobicContact CG2-CG2 3.98Å; I149-V153 HydrophobicContact CG2-CG2 4.34Å; I149-V153 WeakPolarHBondContact O-CG2 3.12Å; I149-V153 PolarHBondContact O-N 3.14Å; N150-V153 PolarHBondContact O-N 3.16Å; R151-V153 VanDerWaalsContact C-N 3.33Å; V153-Q155 PolarHBondContact O-N 3.48Å; V153-H156 WeakPolarHBondContact O-CB 3.4Å; V153-H156 PolarHBondContact O-N 2.98Å; V153-H156 VanDerWaalsContact O-N 3.14Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 HydrophobicContact CG1-CG 4.27Å; V153-L157 WeakPolarHBondContact O-CG 3.11Å; V153-L157 PolarHBondContact O-N 3.42Å
154E92.6Very high88.4Confident85 Ų8590.4 Ų90.440%0.39744%0.439SS..Hα-helixtrans-56.3-48.3175.5-71163-168.100111.7P11 N150 R151 H156 L157 L158P11-E154 WeakPolarHBondContact CD-OE1 3.36Å; P11-E154 HydrophobicContact CG-CG 3.89Å; N150-E154 WeakPolarHBondContact O-CG 3.36Å; N150-E154 PolarHBondContact O-N 3.28Å; R151-E154 PolarHBondContact O-N 3.04Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 2.84Å; E154-L157 PolarHBondContact O-N 3.36Å; E154-L158 VanDerWaalsContact O-CG 3.3Å; E154-L158 WeakPolarHBondContact O-CG 3.48Å; E154-L158 PolarHBondContact O-N 3.2Å
155Q92.1Very high86.2Confident130 Ų13091.1 Ų91.161%0.60748%0.477SS*.Hα-helixtrans-58.4-39.3177.5-73.7171.9-10.100112.3R151 V153 A159R151-Q155 VanDerWaalsContact O-CG 3.25Å; R151-Q155 WeakPolarHBondContact O-CG 3.28Å; R151-Q155 PolarHBondContact O-N 3.33Å; R151-Q155 VanDerWaalsContact O-N 3.08Å; V153-Q155 PolarHBondContact O-N 3.48Å; Q155-A159 WeakPolarHBondContact O-CB 3.37Å; Q155-A159 PolarHBondContact O-N 2.99Å; Q155-A159 VanDerWaalsContact O-N 3.11Å
156H90.6Very high85.7Confident114 Ų11494.2 Ų94.253%0.52849%0.492SS..Hα-helixtrans-68.4-46178.3-169.357.7000112R152 V153 E154 L158 A159 E160R152-H156 PolarHBondContact O-N 2.85Å; V153-H156 WeakPolarHBondContact O-CB 3.4Å; V153-H156 PolarHBondContact O-N 2.98Å; V153-H156 VanDerWaalsContact O-N 3.14Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 2.84Å; H156-L158 VanDerWaalsContact C-N 3.32Å; H156-L158 PolarHBondContact O-N 2.91Å; H156-A159 PolarHBondContact O-N 3.39Å; H156-E160 IonicContact CD2-OE1 3.9Å; H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 IonicContact NE2-OE1 3.31Å; H156-E160 PolarHBondContact NE2-OE1 2.92Å; H156-E160 WeakPolarHBondContact O-CG 3.36Å; H156-E160 PolarHBondContact O-N 2.96Å
157L88.6Confident85.1Confident90 Ų9098.6 Ų98.647%0.47152%0.516SS..Hα-helixtrans-61.2-40.9177.8-67.3173000111.9P11 V153 E154 E160 S161P11-L157 HydrophobicContact CB-CD1 4.32Å; V153-L157 HydrophobicContact CG1-CD1 3.98Å; V153-L157 HydrophobicContact CG1-CG 4.27Å; V153-L157 WeakPolarHBondContact O-CG 3.11Å; V153-L157 PolarHBondContact O-N 3.42Å; E154-L157 PolarHBondContact O-N 3.36Å; L157-E160 PolarHBondContact O-N 3.06Å; L157-S161 PolarHBondContact O-N 3.22Å; L157-S161 VanDerWaalsContact O-N 3.11Å
158L88.6Confident84.5Confident104 Ų10497.9 Ų97.955%0.54552%0.516SS..Hα-helixtrans-63.1-42.7175.4-71170.4000111.6E154 H156 E160 S161 Q162E154-L158 VanDerWaalsContact O-CG 3.3Å; E154-L158 WeakPolarHBondContact O-CG 3.48Å; E154-L158 PolarHBondContact O-N 3.2Å; H156-L158 VanDerWaalsContact C-N 3.32Å; H156-L158 PolarHBondContact O-N 2.91Å; L158-E160 PolarHBondContact O-N 3.18Å; L158-S161 PolarHBondContact O-N 2.88Å; L158-S161 PolarHBondContact O-OG 3.01Å; L158-Q162 WeakPolarHBondContact O-CG 3.42Å; L158-Q162 PolarHBondContact O-N 3.11Å
159A88.3Confident83.9Confident42 Ų4297.1 Ų97.135%0.34752%0.521SS..Hα-helixtrans-64.1-39.1177.900000112.7Q155 H156 Q162 Q163Q155-A159 WeakPolarHBondContact O-CB 3.37Å; Q155-A159 PolarHBondContact O-N 2.99Å; Q155-A159 VanDerWaalsContact O-N 3.11Å; H156-A159 PolarHBondContact O-N 3.39Å; A159-Q162 PolarHBondContact O-N 2.91Å; A159-Q163 PolarHBondContact O-N 3.49Å
160E84.1Confident83.1Confident93 Ų93102.1 Ų102.144%0.43555%0.548SS..Hα-helixtrans-66.5-40.3176.7-70.5-177.2151.600112.1H156 L157 L158 Q162 Q163 T164H156-E160 IonicContact CD2-OE1 3.9Å; H156-E160 IonicContact CE1-OE1 3.82Å; H156-E160 IonicContact NE2-OE1 3.31Å; H156-E160 PolarHBondContact NE2-OE1 2.92Å; H156-E160 WeakPolarHBondContact O-CG 3.36Å; H156-E160 PolarHBondContact O-N 2.96Å; L157-E160 PolarHBondContact O-N 3.06Å; L158-E160 PolarHBondContact O-N 3.18Å; E160-Q162 VanDerWaalsContact C-N 3.26Å; E160-Q162 PolarHBondContact O-N 3.11Å; E160-Q163 PolarHBondContact O-N 3.05Å; E160-T164 PolarHBondContact O-N 3.37Å; E160-T164 PolarHBondContact O-OG1 3.35Å
161S79.5Confident82.3Confident74 Ų74107.8 Ų107.852%0.51758%0.579SS.*Hα-helixtrans-63.6-29.9177.669.10000113.6L157 L158L157-S161 PolarHBondContact O-N 3.22Å; L157-S161 VanDerWaalsContact O-N 3.11Å; L158-S161 PolarHBondContact O-N 2.88Å; L158-S161 PolarHBondContact O-OG 3.01Å
162Q74.4Confident81.4Confident149 Ų149105.3 Ų105.370%0.69658%0.582SS**Hα-helixtrans-81.4-17.3178.6-68.817526.400113.6L158 A159 E160L158-Q162 WeakPolarHBondContact O-CG 3.42Å; L158-Q162 PolarHBondContact O-N 3.11Å; A159-Q162 PolarHBondContact O-N 2.91Å; E160-Q162 VanDerWaalsContact C-N 3.26Å; E160-Q162 PolarHBondContact O-N 3.11Å
163Q65.9Low80.4Confident166 Ų166103.5 Ų103.578%0.77659%0.589SS**Hα-helixtrans-89.9-14176.1-71.7179.815.100113.1A159 E160A159-Q163 PolarHBondContact O-N 3.49Å; E160-Q163 PolarHBondContact O-N 3.05Å
164T58.4Low79.3Confident126 Ų126108 Ų10877%0.77361%0.613SS**  trans-106.16.7-174.7-31.70000112.8E160E160-T164 PolarHBondContact O-N 3.37Å; E160-T164 PolarHBondContact O-OG1 3.35Å
165G48.7Very low78.1Confident123 Ų123110.1 Ų110.1100%1.26863%0.633SS**  trans-117.80174.600000111.2

Retrieved 165 of 165 residues in 115.5 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).