A0A096MPZ6_PAPAN Loading...

Glutamine amidotransferase-like class 1 domain-containing protein 1

Component of the FERRY complex (Five-subunit Endosomal Rab5 and RNA/ribosome intermediary). The FERRY complex directly interacts with mRNAs and RAB5A, and functions as a RAB5A effector involved in the localization and the distribution of specific mRNAs most likely by mediating their endosomal transport. The complex recruits mRNAs and ribosomes to early endosomes through direct mRNA-interaction.

AlphaFold DB , UniProt , Accession A0A096MPZ6, Species PAPAN (Papio anubis, Olive baboon), Gene GATD1, Length 220 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
1M38.9Very low60.3Low245 Ų245135.5 Ų135.5100%1.20773%0.729SS**  0102.90-77.5-175.8-93.900107.4S3M1-S3 PolarHBondContact O-N 3.15Å
2A41.1Very low63.3Low98 Ų98124.2 Ų124.281%0.8167%0.668SS**  trans-66.2121174.200000107.5E4A2-E4 PolarHBondContact O-N 3.4Å
3S44.1Very low66Low109 Ų109114.6 Ų114.676%0.76262%0.617SS**  trans-64.8102.4169176.50000106.6M1 R5M1-S3 PolarHBondContact O-N 3.15Å; S3-R5 VanDerWaalsContact C-N 3.27Å; S3-R5 PolarHBondContact O-N 3.21Å
4E44.5Very low68.3Low185 Ų185106.4 Ų106.486%0.86457%0.573SS**  trans-59.897.2165.2-75.2-175.9131.800106.8A2 L6A2-E4 PolarHBondContact O-N 3.4Å; E4-L6 PolarHBondContact O-N 3.29Å
5R46.8Very low70.3Confident227 Ų22799.3 Ų99.386%0.85753%0.534SS*.  trans-59.1112.6165.3-77.3-178.5174.4-179.7-1.4105.6S3S3-R5 VanDerWaalsContact C-N 3.27Å; S3-R5 PolarHBondContact O-N 3.21Å
6L46.2Very low72Confident159 Ų15993.1 Ų93.183%0.83250%0.501SS*.  trans-42.3127.6163.6-81.6150.4000107.6E4 S8E4-L6 PolarHBondContact O-N 3.29Å; L6-S8 PolarHBondContact O-N 3.3Å; L6-S8 VanDerWaalsContact O-N 3.08Å
7P56Low73.4Confident122 Ų12287.6 Ų87.679%0.79247%0.472SS*.PPolyproline II helixtrans-55.5123.7-17919.1-28.8000108.3R9P7-R9 PolarHBondContact O-N 3.29Å
8S73.6Confident74.6Confident112 Ų11283.4 Ų83.478%0.78345%0.452SS*.PPolyproline II helixtrans-57.7129.5177.352.30000108.3L6L6-S8 PolarHBondContact O-N 3.3Å; L6-S8 VanDerWaalsContact O-N 3.08Å
9R83.8Confident75.7Confident163 Ų16379.8 Ų79.862%0.61544%0.435SS*.PPolyproline II helixtrans-51.9135177.7-73.2-173.4-178-177.7-0.3109.7P7 S36P7-R9 PolarHBondContact O-N 3.29Å; R9-S36 PolarHBondContact NH1-O 2.92Å
10P92.6Very high76.6Confident48 Ų4880.2 Ų80.231%0.31245%0.449SS..PPolyproline II helixtrans-57.2143.2178.421.4-30.1000110.1F39 N40 H87P10-F39 HydrophobicContact CB-CD1 3.9Å; P10-F39 HydrophobicContact CB-CE1 4.11Å; P10-F39 HydrophobicContact CG-CD1 3.65Å; P10-F39 HydrophobicContact CG-CE1 3.82Å; P10-F39 CarbonylContact O-C 3.55Å; P10-F39 WeakPolarHBondContact O-CA 3.31Å; P10-F39 WeakPolarHBondContact O-CB 3.24Å; P10-F39 WeakPolarHBondContact O-CD1 3.45Å; P10-N40 PolarHBondContact O-N 3.27Å; P10-H87 HydrophobicContact CB-CB 3.96Å
11A95.4Very high77.4Confident22 Ų2280.8 Ų80.818%0.18245%0.448CS..EExtended strand (participates in β ladder)trans-84.3136.7177.100000110.6N40 Y86 H87A11-N40 WeakPolarHBondContact CA-O 3.42Å; A11-Y86 HydrophobicContact CB-CD1 3.9Å; A11-Y86 HydrophobicContact CB-CE1 4.44Å; A11-H87 PolarHBondContact O-N 2.8Å
12C97.1Very high80Confident0 Ų069.1 Ų69.10%039%0.391CS..EExtended strand (participates in β ladder)trans-119.6129.7171.7178.40000109.3F39 N40 L41 Q42 A88C12-F39 HydrophobicContact CB-CB 3.53Å; C12-F39 HydrophobicContact CB-CD1 3.87Å; C12-F39 HydrophobicContact CB-CD2 3.78Å; C12-F39 HydrophobicContact CB-CE2 4.43Å; C12-F39 HydrophobicContact CB-CG 3.46Å; C12-F39 VanDerWaalsContact CB-CG 3.46Å; C12-N40 PolarHBondContact N-O 3.29Å; C12-L41 HydrophobicContact CB-CD2 3.75Å; C12-Q42 PolarHBondContact O-N 2.6Å; C12-Q42 VanDerWaalsContact O-N 3.1Å; C12-A88 WeakPolarHBondContact CA-O 3.23Å; C12-A88 HydrophobicContact CB-CB 4.23Å
13L98.1Very high82.6Confident0 Ų064.4 Ų64.40%035%0.352CS..EExtended strand (participates in β ladder)trans-84.7121.3173.8-175.365.6000108.3V15 A44 I81 Y86 A88 L89 L90 I110L13-V15 HydrophobicContact CD2-CG2 3.77Å; L13-V15 HydrophobicContact CG-CG2 3.8Å; L13-A44 HydrophobicContact CD1-CB 3.81Å; L13-I81 HydrophobicContact CD1-CD1 4.12Å; L13-I81 HydrophobicContact CD1-CG1 4.34Å; L13-I81 HydrophobicContact CD1-CG2 4.15Å; L13-I81 HydrophobicContact CD2-CG2 3.62Å; L13-Y86 HydrophobicContact CB-CD1 3.68Å; L13-Y86 HydrophobicContact CB-CD2 4.2Å; L13-Y86 HydrophobicContact CB-CE1 4.01Å; L13-Y86 HydrophobicContact CB-CG 3.75Å; L13-Y86 HydrophobicContact CD1-CE1 3.98Å; L13-Y86 HydrophobicContact CD1-CE2 4.25Å; L13-A88 PolarHBondContact N-O 3.42Å; L13-L89 HydrophobicContact CB-CD1 4Å; L13-L89 HydrophobicContact CD2-CD1 3.8Å; L13-L89 HydrophobicContact CG-CD1 4.01Å; L13-L89 WeakPolarHBondContact O-CA 3.3Å; L13-L90 PolarHBondContact O-N 3.05Å; L13-I110 HydrophobicContact CD2-CD1 4.34Å; L13-I110 HydrophobicContact CD2-CG2 4.08Å
14L98Very high85.1Confident0 Ų059.5 Ų59.50%032%0.318CS..EExtended strand (participates in β ladder)trans-104.4105174.1-166.2143.8000108.5F28 C31 L41 Q42 V43 A44 L90 P92L14-F28 HydrophobicContact CD2-CD2 3.85Å; L14-F28 HydrophobicContact CD2-CE2 3.2Å; L14-F28 HydrophobicContact CD2-CZ 3.81Å; L14-C31 HydrophobicContact CD1-CB 4.29Å; L14-L41 HydrophobicContact CD1-CD1 4.48Å; L14-Q42 PolarHBondContact N-O 3.05Å; L14-V43 HydrophobicContact CD2-CG1 4.27Å; L14-V43 HydrophobicContact CD2-CG2 4.32Å; L14-V43 CarbonylContact O-C 3.55Å; L14-V43 VanDerWaalsContact O-CA 3.29Å; L14-V43 WeakPolarHBondContact O-CA 3.47Å; L14-A44 PolarHBondContact O-N 2.9Å; L14-L90 CarbonylContact C-O 3.59Å; L14-L90 VanDerWaalsContact CA-O 3.29Å; L14-L90 WeakPolarHBondContact CA-O 3.47Å; L14-L90 HydrophobicContact CD1-CD2 4.14Å; L14-L90 HydrophobicContact CD1-CG 4.45Å; L14-P92 HydrophobicContact CD2-CG 4.4Å
15V98.1Very high87.6Confident0 Ų050.7 Ų50.70%028%0.277CS..EExtended strand (participates in β ladder)trans-93.6130.9-177.21770000109.5L13 A44 L78 L89 L90 I91 P92 L101 L107L13-V15 HydrophobicContact CD2-CG2 3.77Å; L13-V15 HydrophobicContact CG-CG2 3.8Å; V15-A44 WeakPolarHBondContact CA-O 3.4Å; V15-L78 HydrophobicContact CG1-CD1 4.34Å; V15-L78 HydrophobicContact CG1-CD2 4.49Å; V15-L78 HydrophobicContact CG2-CD1 4.01Å; V15-L89 HydrophobicContact CB-CD1 4.41Å; V15-L89 HydrophobicContact CG2-CD1 3.55Å; V15-L90 PolarHBondContact N-O 2.93Å; V15-I91 HydrophobicContact CB-CG1 4.29Å; V15-P92 VanDerWaalsContact O-CD 3.28Å; V15-P92 WeakPolarHBondContact O-CD 3.46Å; V15-L101 HydrophobicContact CG1-CD1 4.02Å; V15-L101 HydrophobicContact CG1-CD2 4.02Å; V15-L107 HydrophobicContact CG1-CD1 4.2Å; V15-L107 HydrophobicContact CG1-CD2 4.49Å; V15-L107 HydrophobicContact CG2-CD1 4.25Å
16A97Very high89.9Confident0 Ų042.2 Ų42.20%025%0.247CC..  trans-133.5162.2177.700000110.8V23 F28 A44 T45 M51A16-V23 HydrophobicContact CB-CG2 3.92Å; A16-F28 HydrophobicContact CB-CE2 4.43Å; A16-A44 PolarHBondContact N-O 3.06Å; A16-T45 HydrophobicContact CB-CG2 4.18Å; A16-T45 WeakPolarHBondContact O-CA 3.49Å; A16-T45 WeakPolarHBondContact O-CG2 3.23Å; A16-M51 HydrophobicContact CB-CG 4.1Å; A16-M51 HydrophobicContact CB-SD 3.39Å; A16-M51 WeakPolarHBondContact CB-SD 3.28Å
17S96.9Very high92.3Very high0 Ų034.7 Ų34.70%021%0.207CC..  trans-78145175.4-178.30000110.8A19 G96 D100S17-A19 WeakPolarHBondContact OG-CB 3.2Å; S17-A19 PolarHBondContact OG-N 3.31Å; S17-A19 VanDerWaalsContact OG-N 3.08Å; S17-G96 VanDerWaalsContact OG-CA 3.31Å; S17-G96 WeakPolarHBondContact OG-CA 3.38Å; S17-G96 PolarHBondContact OG-O 3.39Å; S17-D100 WeakPolarHBondContact CB-OD1 3.48Å; S17-D100 PolarHBondContact OG-OD1 3.32Å; S17-D100 PolarHBondContact OG-OD2 2.64Å; S17-D100 VanDerWaalsContact OG-OD2 3.07Å
18G94.9Very high94.3Very high12 Ų1228.9 Ų28.912%0.12417%0.17CC..  trans-105.513167.900000112.8D100G18-D100 PolarHBondContact N-OD2 2.79Å
19A95.2Very high95.4Very high14 Ų1424.9 Ų24.912%0.11614%0.139CC..SBendtrans-82.9165.5176.600000112.2S17 E21 G22 T99 D100S17-A19 WeakPolarHBondContact OG-CB 3.2Å; S17-A19 PolarHBondContact OG-N 3.31Å; S17-A19 VanDerWaalsContact OG-N 3.08Å; A19-E21 VanDerWaalsContact C-N 3.3Å; A19-E21 WeakPolarHBondContact CB-OE2 3.48Å; A19-E21 PolarHBondContact O-N 3Å; A19-G22 PolarHBondContact O-N 2.98Å; A19-G22 VanDerWaalsContact O-N 3.09Å; A19-T99 HydrophobicContact CB-CG2 4.01Å; A19-D100 HydrophobicContact CB-CB 4.38Å; A19-D100 PolarHBondContact N-OD2 3.37Å
20A92.9Very high96Very high87 Ų8720.2 Ų20.272%0.71912%0.124SC*.THydrogen-bonded Turntrans-69.2-27.6-175.100000113.1G22A20-G22 PolarHBondContact O-N 2.87Å
21E93.1Very high96.2Very high93 Ų9317.9 Ų17.944%0.43511%0.109SC..THydrogen-bonded Turntrans-69.7-13.2174.5-57.481.1178.800112.3A19 V54 P95 T99A19-E21 VanDerWaalsContact C-N 3.3Å; A19-E21 WeakPolarHBondContact CB-OE2 3.48Å; A19-E21 PolarHBondContact O-N 3Å; E21-V54 VanDerWaalsContact O-CG1 3.3Å; E21-V54 WeakPolarHBondContact O-CG1 3.24Å; E21-P95 HydrophobicContact CB-CB 4.31Å; E21-T99 PolarHBondContact OE2-OG1 3.4Å
22G93.9Very high96.3Very high0 Ų018 Ų180%011%0.105CC..  trans68.8-159.7160.700000116.4A19 A20 E52 C94 P95 G96A19-G22 PolarHBondContact O-N 2.98Å; A19-G22 VanDerWaalsContact O-N 3.09Å; A20-G22 PolarHBondContact O-N 2.87Å; G22-E52 CarbonylContact C-O 3.6Å; G22-E52 VanDerWaalsContact CA-O 3.23Å; G22-E52 WeakPolarHBondContact CA-O 3.48Å; G22-C94 CarbonylContact O-C 3.51Å; G22-P95 WeakPolarHBondContact O-CD 3.48Å; G22-G96 PolarHBondContact O-N 3Å; G22-G96 VanDerWaalsContact O-N 3.09Å
23V96.5Very high96.2Very high0 Ų021.1 Ų21.10%013%0.125CC..EExtended strand (participates in β ladder)trans-126.6132.6-172.4-173.80000109A16 A25 F28 M51 E52 F53 V54 P92 C94A16-V23 HydrophobicContact CB-CG2 3.92Å; V23-A25 PolarHBondContact O-N 3.16Å; V23-F28 HydrophobicContact CG1-CB 3.87Å; V23-F28 HydrophobicContact CG1-CD2 3.78Å; V23-F28 HydrophobicContact CG1-CG 4.21Å; V23-M51 HydrophobicContact CG2-CB 4.28Å; V23-M51 HydrophobicContact CG2-CG 4.38Å; V23-M51 HydrophobicContact CG2-SD 4.48Å; V23-E52 PolarHBondContact N-O 2.99Å; V23-F53 HydrophobicContact CB-CD1 4.4Å; V23-F53 CarbonylContact O-C 3.54Å; V23-F53 WeakPolarHBondContact O-CA 3.29Å; V23-V54 PolarHBondContact O-N 2.81Å; V23-P92 HydrophobicContact CG1-CG 4.18Å; V23-C94 HydrophobicContact CB-CB 4.26Å; V23-C94 HydrophobicContact CG1-CB 4.13Å; V23-C94 HydrophobicContact CG2-CB 4.07Å
24S96.6Very high96.2Very high6 Ų623 Ų234%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-63.7119.6177.4179.60000110.4Q26 S27 F28 S93S24-Q26 PolarHBondContact O-N 3Å; S24-S27 PolarHBondContact O-N 3.38Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.3Å; S24-S93 WeakPolarHBondContact CB-O 3.29Å; S24-S93 PolarHBondContact N-O 3.48Å
25A96.4Very high96.1Very high0 Ų023 Ų230%013%0.134CC..Hα-helixtrans-58.7-45.2-176.600000112.3V23 L29 F53 V54 V56 V64V23-A25 PolarHBondContact O-N 3.16Å; A25-L29 WeakPolarHBondContact O-CB 3.3Å; A25-L29 PolarHBondContact O-N 2.8Å; A25-F53 HydrophobicContact CB-CB 4.28Å; A25-F53 HydrophobicContact CB-CD1 4.23Å; A25-V54 WeakPolarHBondContact CB-O 3.37Å; A25-V54 PolarHBondContact N-O 3.36Å; A25-V56 HydrophobicContact CB-CG2 4.02Å; A25-V64 HydrophobicContact CB-CG2 3.95Å
26Q95.7Very high95.9Very high49 Ų4925.1 Ų25.123%0.22915%0.149CC..Hα-helixtrans-63.5-47.4178-76.5-62.6-21.200112.1S24 F28 L29 H30 S59 N60S24-Q26 PolarHBondContact O-N 3Å; Q26-F28 PolarHBondContact O-N 2.83Å; Q26-L29 PolarHBondContact O-N 3.12Å; Q26-H30 PolarHBondContact O-N 3.29Å; Q26-H30 VanDerWaalsContact O-N 3.08Å; Q26-S59 PolarHBondContact NE2-OG 2.84Å; Q26-N60 WeakPolarHBondContact CG-ND2 3.39Å; Q26-N60 PolarHBondContact NE2-ND2 2.83Å
27S96.9Very high95.7Very high1 Ų129.6 Ų29.61%0.00718%0.176CC..Hα-helixtrans-65-43.8-178.1-168.40000111.1S24 H30 C31 S93 T205S24-S27 PolarHBondContact O-N 3.38Å; S27-H30 PolarHBondContact O-N 3.06Å; S27-C31 WeakPolarHBondContact O-CB 3.44Å; S27-C31 PolarHBondContact O-N 3.3Å; S27-C31 PolarHBondContact O-SG 3.05Å; S27-S93 PolarHBondContact OG-N 2.94Å; S27-T205 WeakPolarHBondContact OG-CG2 3.4Å; S27-T205 PolarHBondContact OG-OG1 2.96Å; S27-T205 VanDerWaalsContact OG-OG1 3.06Å
28F97.3Very high95.5Very high0 Ų031.3 Ų31.30%019%0.191CC..Hα-helixtrans-63.8-44176.6-171.9-81.5000112.3L14 A16 V23 S24 Q26 H30 C31 F32 V43 M51 F53 W63 F67 P92L14-F28 HydrophobicContact CD2-CD2 3.85Å; L14-F28 HydrophobicContact CD2-CE2 3.2Å; L14-F28 HydrophobicContact CD2-CZ 3.81Å; A16-F28 HydrophobicContact CB-CE2 4.43Å; V23-F28 HydrophobicContact CG1-CB 3.87Å; V23-F28 HydrophobicContact CG1-CD2 3.78Å; V23-F28 HydrophobicContact CG1-CG 4.21Å; S24-F28 WeakPolarHBondContact O-CB 3.46Å; S24-F28 PolarHBondContact O-N 3.3Å; Q26-F28 PolarHBondContact O-N 2.83Å; F28-H30 PolarHBondContact O-N 2.88Å; F28-C31 PolarHBondContact O-N 3.3Å; F28-F32 HydrophobicContact CD1-CB 4.3Å; F28-F32 HydrophobicContact CE1-CB 4.07Å; F28-F32 HydrophobicContact CE1-CD2 4.13Å; F28-F32 HydrophobicContact CE1-CG 4.29Å; F28-F32 HydrophobicContact CZ-CD2 4.28Å; F28-F32 VanDerWaalsContact O-CB 3.24Å; F28-F32 WeakPolarHBondContact O-CB 3.44Å; F28-F32 PolarHBondContact O-N 3.3Å; F28-V43 HydrophobicContact CE2-CG1 4.41Å; F28-V43 HydrophobicContact CZ-CG1 4.46Å; F28-V43 HydrophobicContact CZ-CG2 4.25Å; F28-M51 HydrophobicContact CD2-SD 4.31Å; F28-M51 HydrophobicContact CE1-CE 4.43Å; F28-M51 HydrophobicContact CE2-CE 3.79Å; F28-M51 HydrophobicContact CE2-SD 3.55Å; F28-M51 VanDerWaalsContact CE2-SD 3.55Å; F28-M51 HydrophobicContact CZ-CE 3.63Å; F28-M51 HydrophobicContact CZ-SD 4.06Å; F28-F53 HydrophobicContact CB-CE1 3.85Å; F28-F53 AromaticContact CD1-CE1 3.66Å; F28-F53 HydrophobicContact CD1-CE1 3.66Å; F28-F53 AromaticContact CD1-CZ 3.82Å; F28-F53 HydrophobicContact CD1-CZ 3.82Å; F28-F53 HydrophobicContact CD2-CE1 4.24Å; F28-F53 HydrophobicContact CE1-CE1 4.28Å; F28-F53 HydrophobicContact CE1-CZ 4.01Å; F28-F53 AromaticContact CG-CE1 3.66Å; F28-F53 HydrophobicContact CG-CE1 3.66Å; F28-F53 HydrophobicContact CG-CZ 4.21Å; F28-W63 AromaticContact CD1-CH2 3.54Å; F28-W63 HydrophobicContact CD1-CH2 3.54Å; F28-W63 AromaticContact CD1-CZ3 3.92Å; F28-W63 HydrophobicContact CD1-CZ3 3.92Å; F28-W63 AromaticContact CE1-CH2 3.73Å; F28-W63 HydrophobicContact CE1-CH2 3.73Å; F28-W63 HydrophobicContact CE1-CZ3 4.38Å; F28-F67 HydrophobicContact CE1-CD2 4.1Å; F28-F67 HydrophobicContact CE1-CE1 4.08Å; F28-F67 AromaticContact CE1-CE2 3.51Å; F28-F67 HydrophobicContact CE1-CE2 3.51Å; F28-F67 AromaticContact CE1-CZ 3.5Å; F28-F67 HydrophobicContact CE1-CZ 3.5Å; F28-F67 HydrophobicContact CZ-CE1 4.24Å; F28-F67 AromaticContact CZ-CE2 3.97Å; F28-F67 HydrophobicContact CZ-CE2 3.97Å; F28-F67 AromaticContact CZ-CZ 3.57Å; F28-F67 HydrophobicContact CZ-CZ 3.57Å; F28-P92 HydrophobicContact CB-CB 4.38Å; F28-P92 HydrophobicContact CB-CG 4.41Å; F28-P92 HydrophobicContact CD2-CG 3.81Å
29L96.8Very high95.5Very high27 Ų2731.2 Ų31.214%0.14119%0.187CC..Hα-helixtrans-53.3-51.217516265.3000111.5A25 Q26 T33 N60 W63A25-L29 WeakPolarHBondContact O-CB 3.3Å; A25-L29 PolarHBondContact O-N 2.8Å; Q26-L29 PolarHBondContact O-N 3.12Å; L29-T33 VanDerWaalsContact O-CB 3.22Å; L29-T33 WeakPolarHBondContact O-CB 3.3Å; L29-T33 PolarHBondContact O-N 2.91Å; L29-T33 PolarHBondContact O-OG1 3.14Å; L29-N60 HydrophobicContact CD2-CB 4.24Å; L29-W63 HydrophobicContact CB-CD2 4.27Å; L29-W63 HydrophobicContact CB-CE3 4.06Å; L29-W63 HydrophobicContact CB-CH2 4.38Å; L29-W63 HydrophobicContact CB-CZ3 4.13Å; L29-W63 HydrophobicContact CD1-CB 4.36Å; L29-W63 VanDerWaalsContact CD1-CD1 3.44Å; L29-W63 HydrophobicContact CD1-CD2 3.38Å; L29-W63 HydrophobicContact CD1-CE3 4.05Å; L29-W63 HydrophobicContact CD1-CG 3.49Å; L29-W63 VanDerWaalsContact CD1-CG 3.49Å; L29-W63 HydrophobicContact CD1-CZ2 3.94Å; L29-W63 VanDerWaalsContact CD1-NE1 3.3Å; L29-W63 HydrophobicContact CG-CD2 4.33Å
30H97.1Very high95.5Very high65 Ų6535.9 Ų35.930%0.30121%0.21SC..Hα-helixtrans-64.3-49-179.8-69.9155.7000111.5Q26 S27 F28 F32 T33 M34 T205 V206Q26-H30 PolarHBondContact O-N 3.29Å; Q26-H30 VanDerWaalsContact O-N 3.08Å; S27-H30 PolarHBondContact O-N 3.06Å; F28-H30 PolarHBondContact O-N 2.88Å; H30-F32 PolarHBondContact O-N 2.96Å; H30-T33 PolarHBondContact O-N 3.39Å; H30-M34 VanDerWaalsContact O-CB 3.3Å; H30-M34 WeakPolarHBondContact O-CB 3.43Å; H30-M34 VanDerWaalsContact O-CG 3.24Å; H30-M34 WeakPolarHBondContact O-CG 3.49Å; H30-M34 PolarHBondContact O-N 3.06Å; H30-T205 HydrophobicContact CB-CG2 3.85Å; H30-V206 HydrophobicContact CB-CG2 4.36Å
31C97.1Very high95.6Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-55.1-52176.5-76.20000111.9L14 S27 F28 A35 L90 P92 T205 V209L14-C31 HydrophobicContact CD1-CB 4.29Å; S27-C31 WeakPolarHBondContact O-CB 3.44Å; S27-C31 PolarHBondContact O-N 3.3Å; S27-C31 PolarHBondContact O-SG 3.05Å; F28-C31 PolarHBondContact O-N 3.3Å; C31-A35 WeakPolarHBondContact O-CB 3.48Å; C31-A35 PolarHBondContact O-N 2.7Å; C31-L90 HydrophobicContact CB-CD2 3.7Å; C31-L90 HydrophobicContact CB-CG 4.18Å; C31-P92 HydrophobicContact CB-CB 4.22Å; C31-T205 VanDerWaalsContact SG-CG2 3.6Å; C31-V209 HydrophobicContact CB-CG2 4.47Å
32F96.7Very high95.8Very high23 Ų2331.8 Ų31.810%0.10118%0.177CC..Hα-helixtrans-64.7-49.6-177.3-171.5-88.1000111.6F28 H30 M34 S36 L41 V43 W63 F67 Y72F28-F32 HydrophobicContact CD1-CB 4.3Å; F28-F32 HydrophobicContact CE1-CB 4.07Å; F28-F32 HydrophobicContact CE1-CD2 4.13Å; F28-F32 HydrophobicContact CE1-CG 4.29Å; F28-F32 HydrophobicContact CZ-CD2 4.28Å; F28-F32 VanDerWaalsContact O-CB 3.24Å; F28-F32 WeakPolarHBondContact O-CB 3.44Å; F28-F32 PolarHBondContact O-N 3.3Å; H30-F32 PolarHBondContact O-N 2.96Å; F32-M34 PolarHBondContact O-N 2.97Å; F32-S36 WeakPolarHBondContact O-CB 3.41Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.73Å; F32-L41 HydrophobicContact CD2-CD1 3.64Å; F32-L41 HydrophobicContact CE2-CB 4.41Å; F32-L41 HydrophobicContact CE2-CD1 3.88Å; F32-L41 HydrophobicContact CG-CD1 4.03Å; F32-L41 HydrophobicContact CZ-CD1 4.45Å; F32-L41 WeakPolarHBondContact O-CD1 3.27Å; F32-V43 HydrophobicContact CE2-CG2 4.37Å; F32-W63 HydrophobicContact CB-CH2 4.41Å; F32-W63 HydrophobicContact CB-CZ2 4.3Å; F32-W63 HydrophobicContact CD1-CZ2 4Å; F32-W63 HydrophobicContact CG-CZ2 4.34Å; F32-F67 AromaticContact CD2-CE2 3.94Å; F32-F67 HydrophobicContact CD2-CE2 3.94Å; F32-F67 HydrophobicContact CE1-CE2 4.36Å; F32-F67 AromaticContact CE2-CE2 3.78Å; F32-F67 HydrophobicContact CE2-CE2 3.78Å; F32-F67 HydrophobicContact CG-CE2 4.32Å; F32-F67 AromaticContact CZ-CE2 4Å; F32-F67 HydrophobicContact CZ-CE2 4Å; F32-Y72 HydrophobicContact CE1-CE2 4.07Å; F32-Y72 HydrophobicContact CE2-CD2 4.17Å; F32-Y72 HydrophobicContact CE2-CE2 4.36Å; F32-Y72 AromaticContact CZ-CD2 3.72Å; F32-Y72 HydrophobicContact CZ-CD2 3.72Å; F32-Y72 HydrophobicContact CZ-CE1 4.44Å; F32-Y72 AromaticContact CZ-CE2 3.59Å; F32-Y72 HydrophobicContact CZ-CE2 3.59Å; F32-Y72 HydrophobicContact CZ-CG 4.23Å; F32-Y72 AromaticContact CZ-CZ 3.93Å
33T96Very high95.9Very high66 Ų6632.1 Ų32.141%0.40518%0.179SC..Hα-helixtrans-61.1-49.9-177.8-590000111L29 H30 S36L29-T33 VanDerWaalsContact O-CB 3.22Å; L29-T33 WeakPolarHBondContact O-CB 3.3Å; L29-T33 PolarHBondContact O-N 2.91Å; L29-T33 PolarHBondContact O-OG1 3.14Å; H30-T33 PolarHBondContact O-N 3.39Å; T33-S36 PolarHBondContact O-OG 2.87Å
34M96.8Very high96Very high39 Ų3932.1 Ų32.119%0.19218%0.179CC..Hα-helixtrans-68.9-46.7-177.5-65.7177.367.400112H30 F32 S36 T37 V206 V209 Q210H30-M34 VanDerWaalsContact O-CB 3.3Å; H30-M34 WeakPolarHBondContact O-CB 3.43Å; H30-M34 VanDerWaalsContact O-CG 3.24Å; H30-M34 WeakPolarHBondContact O-CG 3.49Å; H30-M34 PolarHBondContact O-N 3.06Å; F32-M34 PolarHBondContact O-N 2.97Å; M34-S36 VanDerWaalsContact C-N 3.32Å; M34-S36 PolarHBondContact O-N 2.62Å; M34-T37 WeakPolarHBondContact O-CB 3.43Å; M34-T37 PolarHBondContact O-N 2.85Å; M34-T37 PolarHBondContact O-OG1 3.38Å; M34-V206 HydrophobicContact CE-CG1 4.12Å; M34-V206 HydrophobicContact SD-CB 4.43Å; M34-V206 HydrophobicContact SD-CG1 4.11Å; M34-V206 HydrophobicContact SD-CG2 4.32Å; M34-V209 HydrophobicContact CB-CG1 3.68Å; M34-V209 HydrophobicContact CE-CB 4.16Å; M34-V209 HydrophobicContact CE-CG1 4.12Å; M34-V209 HydrophobicContact SD-CB 4.24Å; M34-V209 HydrophobicContact SD-CG1 4.27Å; M34-Q210 HydrophobicContact CE-CG 3.62Å
35A95.5Very high96Very high0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-68.4-31.5-177.700000112.3C31 T37 A38 F39 L41 L90C31-A35 WeakPolarHBondContact O-CB 3.48Å; C31-A35 PolarHBondContact O-N 2.7Å; A35-T37 PolarHBondContact O-N 3.03Å; A35-T37 VanDerWaalsContact O-N 3.15Å; A35-A38 PolarHBondContact O-N 3.07Å; A35-A38 VanDerWaalsContact O-N 3.1Å; A35-F39 HydrophobicContact CB-CD2 4.14Å; A35-F39 WeakPolarHBondContact O-CB 3.34Å; A35-F39 WeakPolarHBondContact O-CD2 3.48Å; A35-F39 PolarHBondContact O-N 3.43Å; A35-L41 HydrophobicContact CB-CD1 4.17Å; A35-L41 HydrophobicContact CB-CD2 3.76Å; A35-L90 HydrophobicContact CB-CD2 3.84Å
36S94.6Very high96Very high45 Ų4532.6 Ų32.632%0.31518%0.182SC..Hα-helixtrans-64.1-18.1177.671.80000114.1R9 F32 T33 M34 A38R9-S36 PolarHBondContact NH1-O 2.92Å; F32-S36 WeakPolarHBondContact O-CB 3.41Å; F32-S36 PolarHBondContact O-N 3.38Å; F32-S36 PolarHBondContact O-OG 2.73Å; T33-S36 PolarHBondContact O-OG 2.87Å; M34-S36 VanDerWaalsContact C-N 3.32Å; M34-S36 PolarHBondContact O-N 2.62Å; S36-A38 VanDerWaalsContact C-N 3.34Å
37T93Very high96Very high94 Ų9432.1 Ų32.158%0.57719%0.19SC*.THydrogen-bonded Turntrans-70.7-31175.169.40000112.4M34 A35M34-T37 WeakPolarHBondContact O-CB 3.43Å; M34-T37 PolarHBondContact O-N 2.85Å; M34-T37 PolarHBondContact O-OG1 3.38Å; A35-T37 PolarHBondContact O-N 3.03Å; A35-T37 VanDerWaalsContact O-N 3.15Å
38A92.3Very high95.9Very high37 Ų3733.1 Ų33.131%0.30620%0.201SC..THydrogen-bonded Turntrans-110.8-26.8-174.500000113.4A35 S36 L213A35-A38 PolarHBondContact O-N 3.07Å; A35-A38 VanDerWaalsContact O-N 3.1Å; S36-A38 VanDerWaalsContact C-N 3.34Å; A38-L213 HydrophobicContact CB-CD2 3.74Å
39F94.9Very high95.8Very high9 Ų939.1 Ų39.14%0.03923%0.227CC..SBendtrans-122.3156.9-171.2-58.6-72.4000113.3P10 C12 A35 L41 A88 L213 C216P10-F39 HydrophobicContact CB-CD1 3.9Å; P10-F39 HydrophobicContact CB-CE1 4.11Å; P10-F39 HydrophobicContact CG-CD1 3.65Å; P10-F39 HydrophobicContact CG-CE1 3.82Å; P10-F39 CarbonylContact O-C 3.55Å; P10-F39 WeakPolarHBondContact O-CA 3.31Å; P10-F39 WeakPolarHBondContact O-CB 3.24Å; P10-F39 WeakPolarHBondContact O-CD1 3.45Å; C12-F39 HydrophobicContact CB-CB 3.53Å; C12-F39 HydrophobicContact CB-CD1 3.87Å; C12-F39 HydrophobicContact CB-CD2 3.78Å; C12-F39 HydrophobicContact CB-CE2 4.43Å; C12-F39 HydrophobicContact CB-CG 3.46Å; C12-F39 VanDerWaalsContact CB-CG 3.46Å; A35-F39 HydrophobicContact CB-CD2 4.14Å; A35-F39 WeakPolarHBondContact O-CB 3.34Å; A35-F39 WeakPolarHBondContact O-CD2 3.48Å; A35-F39 PolarHBondContact O-N 3.43Å; F39-L41 HydrophobicContact CB-CD2 3.81Å; F39-A88 HydrophobicContact CE1-CB 4.23Å; F39-A88 HydrophobicContact CZ-CB 4.06Å; F39-L213 HydrophobicContact CD2-CD2 4.19Å; F39-L213 HydrophobicContact CE2-CD2 3.53Å; F39-L213 HydrophobicContact CZ-CD2 4.33Å; F39-C216 HydrophobicContact CE1-CB 4.25Å; F39-C216 HydrophobicContact CZ-CB 3.72Å
40N94.8Very high95.7Very high113 Ų11341.3 Ų41.360%0.60425%0.248SC*.EExtended strand (participates in β ladder)trans-81.5114.2155.4-170.121.7000108.7P10 A11 C12P10-N40 PolarHBondContact O-N 3.27Å; A11-N40 WeakPolarHBondContact CA-O 3.42Å; C12-N40 PolarHBondContact N-O 3.29Å
41L95.4Very high95.5Very high27 Ų2738.8 Ų38.814%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-89.6133.2-175.2-59.7-172.3000111.6C12 L14 F32 A35 F39C12-L41 HydrophobicContact CB-CD2 3.75Å; L14-L41 HydrophobicContact CD1-CD1 4.48Å; F32-L41 HydrophobicContact CD2-CD1 3.64Å; F32-L41 HydrophobicContact CE2-CB 4.41Å; F32-L41 HydrophobicContact CE2-CD1 3.88Å; F32-L41 HydrophobicContact CG-CD1 4.03Å; F32-L41 HydrophobicContact CZ-CD1 4.45Å; F32-L41 WeakPolarHBondContact O-CD1 3.27Å; A35-L41 HydrophobicContact CB-CD1 4.17Å; A35-L41 HydrophobicContact CB-CD2 3.76Å; F39-L41 HydrophobicContact CB-CD2 3.81Å
42Q96.6Very high95.5Very high66 Ų6643.3 Ų43.331%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-119.8119.2165.4-174.9161.7-2.300109C12 L14 A76 Y86C12-Q42 PolarHBondContact O-N 2.6Å; C12-Q42 VanDerWaalsContact O-N 3.1Å; L14-Q42 PolarHBondContact N-O 3.05Å; Q42-A76 HydrophobicContact CG-CB 4.29Å; Q42-Y86 HydrophobicContact CB-CE1 3.9Å; Q42-Y86 PolarHBondContact OE1-OH 3.37Å
43V97.1Very high95.4Very high7 Ų743.1 Ų43.14%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-82.3135175-172.50000108.8L14 F28 F32 M51 P75 A76L14-V43 HydrophobicContact CD2-CG1 4.27Å; L14-V43 HydrophobicContact CD2-CG2 4.32Å; L14-V43 CarbonylContact O-C 3.55Å; L14-V43 VanDerWaalsContact O-CA 3.29Å; L14-V43 WeakPolarHBondContact O-CA 3.47Å; F28-V43 HydrophobicContact CE2-CG1 4.41Å; F28-V43 HydrophobicContact CZ-CG1 4.46Å; F28-V43 HydrophobicContact CZ-CG2 4.25Å; F32-V43 HydrophobicContact CE2-CG2 4.37Å; V43-M51 HydrophobicContact CG1-CE 3.91Å; V43-M51 HydrophobicContact CG1-SD 3.72Å; V43-P75 HydrophobicContact CB-CB 4.47Å; V43-P75 HydrophobicContact CG1-CB 4.1Å; V43-P75 WeakPolarHBondContact O-CA 3.29Å; V43-A76 PolarHBondContact O-N 2.96Å
44A97.6Very high95.4Very high0 Ų041.9 Ų41.90%025%0.249CC..EExtended strand (participates in β ladder)trans-135.4142.4175.100000111.8L13 L14 V15 A16 A76 L78 I81L13-A44 HydrophobicContact CD1-CB 3.81Å; L14-A44 PolarHBondContact O-N 2.9Å; V15-A44 WeakPolarHBondContact CA-O 3.4Å; A16-A44 PolarHBondContact N-O 3.06Å; A44-A76 VanDerWaalsContact CA-O 3.29Å; A44-A76 WeakPolarHBondContact CA-O 3.24Å; A44-A76 HydrophobicContact CB-CB 4.43Å; A44-L78 HydrophobicContact CB-CD1 4.04Å; A44-I81 HydrophobicContact CB-CD1 4.1Å; A44-I81 HydrophobicContact CB-CG1 4.06Å
45T97.4Very high95.2Very high0 Ų045.1 Ų45.10%027%0.267CS..EExtended strand (participates in β ladder)trans-135.5157.1176.860.30000109.7A16 G47 G48 K49 M51 P75 A76 L78A16-T45 HydrophobicContact CB-CG2 4.18Å; A16-T45 WeakPolarHBondContact O-CA 3.49Å; A16-T45 WeakPolarHBondContact O-CG2 3.23Å; T45-G47 PolarHBondContact O-N 3.16Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 VanDerWaalsContact OG1-C 3.27Å; T45-G48 WeakPolarHBondContact OG1-CA 3.35Å; T45-K49 WeakPolarHBondContact CB-O 3.45Å; T45-K49 PolarHBondContact OG1-N 3.31Å; T45-K49 PolarHBondContact OG1-O 3.39Å; T45-M51 HydrophobicContact CG2-CG 3.64Å; T45-M51 HydrophobicContact CG2-SD 4.33Å; T45-P75 HydrophobicContact CG2-CB 3.78Å; T45-P75 HydrophobicContact CG2-CG 3.88Å; T45-P75 VanDerWaalsContact OG1-CG 3.31Å; T45-P75 WeakPolarHBondContact OG1-CG 3.49Å; T45-A76 PolarHBondContact N-O 2.99Å; T45-A76 VanDerWaalsContact N-O 3.12Å; T45-L78 WeakPolarHBondContact O-CB 3.48Å; T45-L78 PolarHBondContact O-N 3.01Å
46P96.8Very high95.1Very high17 Ų1748.4 Ų48.411%0.1129%0.288CS..G310 helixtrans-54.3125.6172.6-28.237.9000111.6G48 K49 L78 D100 L101P46-G48 PolarHBondContact O-N 2.97Å; P46-G48 VanDerWaalsContact O-N 3.11Å; P46-K49 WeakPolarHBondContact O-CG 3.25Å; P46-K49 PolarHBondContact O-N 2.86Å; P46-L78 HydrophobicContact CG-CD2 4.21Å; P46-D100 HydrophobicContact CG-CB 4.26Å; P46-L101 HydrophobicContact CG-CD2 3.56Å
47G95.6Very high95.1Very high38 Ų3849.4 Ų49.439%0.39229%0.292SS..G310 helixtrans65.73.9-175.700000115.9T45 K49 E79T45-G47 PolarHBondContact O-N 3.16Å; G47-K49 VanDerWaalsContact C-N 3.27Å; G47-E79 WeakPolarHBondContact CA-OE2 3.43Å; G47-E79 VanDerWaalsContact N-CD 3.35Å; G47-E79 PolarHBondContact N-OE1 2.83Å; G47-E79 PolarHBondContact N-OE2 2.99Å
48G95.2Very high95.1Very high23 Ų2354.2 Ų54.224%0.23731%0.308CS..G310 helixtrans68.726.6-173.400000112.8T45 P46T45-G48 PolarHBondContact O-N 2.86Å; T45-G48 VanDerWaalsContact OG1-C 3.27Å; T45-G48 WeakPolarHBondContact OG1-CA 3.35Å; P46-G48 PolarHBondContact O-N 2.97Å; P46-G48 VanDerWaalsContact O-N 3.11Å
49K95.3Very high95.1Very high126 Ų12657.2 Ų57.255%0.54833%0.326SS..PPolyproline II helixtrans-64.4141.9176.6-70.4179.1-179.5179.30110.9T45 P46 G47 P75T45-K49 WeakPolarHBondContact CB-O 3.45Å; T45-K49 PolarHBondContact OG1-N 3.31Å; T45-K49 PolarHBondContact OG1-O 3.39Å; P46-K49 WeakPolarHBondContact O-CG 3.25Å; P46-K49 PolarHBondContact O-N 2.86Å; G47-K49 VanDerWaalsContact C-N 3.27Å; K49-P75 WeakPolarHBondContact O-CG 3.15Å
50A93.4Very high95.1Very high72 Ų7256.8 Ų56.860%0.59532%0.324SS*.PPolyproline II helixtrans-57.9144.3172.500000110.9
51M94.1Very high95.1Very high12 Ų1252.8 Ų52.86%0.05931%0.307CS..PPolyproline II helixtrans-82.9134.8177.5-61.2175.9-61.600110.3A16 V23 F28 V43 T45 F53 F67A16-M51 HydrophobicContact CB-CG 4.1Å; A16-M51 HydrophobicContact CB-SD 3.39Å; A16-M51 WeakPolarHBondContact CB-SD 3.28Å; V23-M51 HydrophobicContact CG2-CB 4.28Å; V23-M51 HydrophobicContact CG2-CG 4.38Å; V23-M51 HydrophobicContact CG2-SD 4.48Å; F28-M51 HydrophobicContact CD2-SD 4.31Å; F28-M51 HydrophobicContact CE1-CE 4.43Å; F28-M51 HydrophobicContact CE2-CE 3.79Å; F28-M51 HydrophobicContact CE2-SD 3.55Å; F28-M51 VanDerWaalsContact CE2-SD 3.55Å; F28-M51 HydrophobicContact CZ-CE 3.63Å; F28-M51 HydrophobicContact CZ-SD 4.06Å; V43-M51 HydrophobicContact CG1-CE 3.91Å; V43-M51 HydrophobicContact CG1-SD 3.72Å; T45-M51 HydrophobicContact CG2-CG 3.64Å; T45-M51 HydrophobicContact CG2-SD 4.33Å; M51-F53 HydrophobicContact CE-CZ 4.16Å; M51-F67 HydrophobicContact CE-CE1 3.58Å; M51-F67 HydrophobicContact CE-CZ 3.88Å
52E95.3Very high95.1Very high96 Ų9660.6 Ų60.645%0.44934%0.335SS..PPolyproline II helixtrans-92136.8162.3-68.7-55.1151.600110.4G22 V23 R68G22-E52 CarbonylContact C-O 3.6Å; G22-E52 VanDerWaalsContact CA-O 3.23Å; G22-E52 WeakPolarHBondContact CA-O 3.48Å; V23-E52 PolarHBondContact N-O 2.99Å; E52-R68 IonicContact OE2-NH2 2.75Å; E52-R68 PolarHBondContact OE2-NH2 3.08Å
53F96.1Very high95Very high19 Ų1960.3 Ų60.38%0.08333%0.331CS..EExtended strand (participates in β ladder)trans-99.8126.9177.6-74.9-69.7000109.9V23 A25 F28 M51 V56 W63 V64 F67V23-F53 HydrophobicContact CB-CD1 4.4Å; V23-F53 CarbonylContact O-C 3.54Å; V23-F53 WeakPolarHBondContact O-CA 3.29Å; A25-F53 HydrophobicContact CB-CB 4.28Å; A25-F53 HydrophobicContact CB-CD1 4.23Å; F28-F53 HydrophobicContact CB-CE1 3.85Å; F28-F53 AromaticContact CD1-CE1 3.66Å; F28-F53 HydrophobicContact CD1-CE1 3.66Å; F28-F53 AromaticContact CD1-CZ 3.82Å; F28-F53 HydrophobicContact CD1-CZ 3.82Å; F28-F53 HydrophobicContact CD2-CE1 4.24Å; F28-F53 HydrophobicContact CE1-CE1 4.28Å; F28-F53 HydrophobicContact CE1-CZ 4.01Å; F28-F53 AromaticContact CG-CE1 3.66Å; F28-F53 HydrophobicContact CG-CE1 3.66Å; F28-F53 HydrophobicContact CG-CZ 4.21Å; M51-F53 HydrophobicContact CE-CZ 4.16Å; F53-V56 HydrophobicContact CB-CG2 3.98Å; F53-W63 HydrophobicContact CZ-CZ3 4.44Å; F53-V64 HydrophobicContact CB-CG1 4.18Å; F53-V64 HydrophobicContact CD2-CG1 3.55Å; F53-V64 HydrophobicContact CD2-CG2 4.43Å; F53-V64 HydrophobicContact CE2-CG1 4.2Å; F53-V64 HydrophobicContact CG-CG1 4.05Å; F53-V64 HydrophobicContact CG-CG2 4.33Å; F53-F67 AromaticContact CE2-CD1 3.88Å; F53-F67 HydrophobicContact CE2-CD1 3.88Å; F53-F67 HydrophobicContact CE2-CE1 4.23Å; F53-F67 AromaticContact CZ-CD1 3.94Å; F53-F67 HydrophobicContact CZ-CD1 3.94Å; F53-F67 HydrophobicContact CZ-CE1 4.03Å
54V95.1Very high94.9Very high39 Ų3960.4 Ų60.424%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-108.5166.7173.2-60.70000110.5E21 V23 A25 V56 P95E21-V54 VanDerWaalsContact O-CG1 3.3Å; E21-V54 WeakPolarHBondContact O-CG1 3.24Å; V23-V54 PolarHBondContact O-N 2.81Å; A25-V54 WeakPolarHBondContact CB-O 3.37Å; A25-V54 PolarHBondContact N-O 3.36Å; V54-V56 PolarHBondContact O-N 3.16Å; V54-P95 HydrophobicContact CG2-CG 4.13Å
55D92Very high94.7Very high107 Ų10766.6 Ų66.657%0.57236%0.36SS*.SBendtrans54.938.4-176-48.2-40.7000112.7T57 N60D55-T57 PolarHBondContact O-N 3.24Å; D55-N60 PolarHBondContact O-ND2 3.47Å
56V94.1Very high94.5Very high70 Ų7070.1 Ų70.142%0.42438%0.38SS..  trans-72.1128.3173.4-176.10000108.3A25 F53 V54 N60 A61A25-V56 HydrophobicContact CB-CG2 4.02Å; F53-V56 HydrophobicContact CB-CG2 3.98Å; V54-V56 PolarHBondContact O-N 3.16Å; V56-N60 WeakPolarHBondContact CA-OD1 3.23Å; V56-N60 WeakPolarHBondContact CG1-OD1 3.39Å; V56-A61 HydrophobicContact CG1-CB 3.96Å
57T94Very high94.4Very high65 Ų6569.5 Ų69.540%0.39938%0.375SS..  trans-125.5166.5-178.257.60000108.9D55 S59 N60 A61D55-T57 PolarHBondContact O-N 3.24Å; T57-S59 PolarHBondContact O-N 2.75Å; T57-S59 VanDerWaalsContact O-N 3.12Å; T57-S59 PolarHBondContact OG1-OG 2.76Å; T57-S59 VanDerWaalsContact OG1-OG 3.05Å; T57-N60 PolarHBondContact N-OD1 3.43Å; T57-N60 PolarHBondContact O-N 2.68Å; T57-N60 VanDerWaalsContact O-N 3.13Å; T57-N60 PolarHBondContact O-OD1 2.91Å; T57-N60 PolarHBondContact OG1-ND2 3.5Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 2.92Å
58E93.4Very high94.2Very high195 Ų19573.6 Ų73.691%0.91138%0.379SS*.Hα-helixtrans-54.8-33.7177.2-64.7-177172.200112.7N60E58-N60 PolarHBondContact O-N 3.31Å
59S92.4Very high94.1Very high100 Ų10079.5 Ų79.570%0.69940%0.404SS*.Hα-helixtrans-72.7-23.8-177.766.40000114.3Q26 T57Q26-S59 PolarHBondContact NE2-OG 2.84Å; T57-S59 PolarHBondContact O-N 2.75Å; T57-S59 VanDerWaalsContact O-N 3.12Å; T57-S59 PolarHBondContact OG1-OG 2.76Å; T57-S59 VanDerWaalsContact OG1-OG 3.05Å
60N94.6Very high93.9Very high0 Ų078.5 Ų78.50%040%0.4CS..Hα-helixtrans-116.4-9.5-179.566.525.6000114.3Q26 L29 D55 V56 T57 E58 R62 W63 V64Q26-N60 WeakPolarHBondContact CG-ND2 3.39Å; Q26-N60 PolarHBondContact NE2-ND2 2.83Å; L29-N60 HydrophobicContact CD2-CB 4.24Å; D55-N60 PolarHBondContact O-ND2 3.47Å; V56-N60 WeakPolarHBondContact CA-OD1 3.23Å; V56-N60 WeakPolarHBondContact CG1-OD1 3.39Å; T57-N60 PolarHBondContact N-OD1 3.43Å; T57-N60 PolarHBondContact O-N 2.68Å; T57-N60 VanDerWaalsContact O-N 3.13Å; T57-N60 PolarHBondContact O-OD1 2.91Å; T57-N60 PolarHBondContact OG1-ND2 3.5Å; E58-N60 PolarHBondContact O-N 3.31Å; N60-R62 VanDerWaalsContact C-N 3.3Å; N60-R62 PolarHBondContact O-N 3.5Å; N60-W63 PolarHBondContact O-N 2.93Å; N60-V64 PolarHBondContact O-N 3.33Å
61A94.6Very high93.5Very high30 Ų3079.7 Ų79.725%0.24841%0.409CS..Hα-helixtrans-55.9-44.9-176.100000112.3V56 T57 W63 V64 Q65V56-A61 HydrophobicContact CG1-CB 3.96Å; T57-A61 WeakPolarHBondContact O-CB 3.32Å; T57-A61 PolarHBondContact O-N 2.92Å; A61-W63 VanDerWaalsContact C-N 3.34Å; A61-W63 PolarHBondContact O-N 3.03Å; A61-V64 PolarHBondContact O-N 3.25Å; A61-Q65 WeakPolarHBondContact O-CG 3.45Å; A61-Q65 PolarHBondContact O-N 2.88Å
62R95.4Very high93Very high191 Ų19184.1 Ų84.172%0.72143%0.426SS*.Hα-helixtrans-60.6-44.7177.4-176.6177.8177.9174.24.2111.7N60 V64 Q65 D66N60-R62 VanDerWaalsContact C-N 3.3Å; N60-R62 PolarHBondContact O-N 3.5Å; R62-V64 PolarHBondContact O-N 2.97Å; R62-Q65 PolarHBondContact O-N 3.43Å; R62-D66 WeakPolarHBondContact O-CB 3.45Å; R62-D66 PolarHBondContact O-N 3.11Å
63W95.3Very high92.7Very high59 Ų5980.5 Ų80.522%0.22341%0.412CS..Hα-helixtrans-64-41.4179.1-176.794.1000111.9F28 L29 F32 F53 N60 A61 Q65 D66 F67F28-W63 AromaticContact CD1-CH2 3.54Å; F28-W63 HydrophobicContact CD1-CH2 3.54Å; F28-W63 AromaticContact CD1-CZ3 3.92Å; F28-W63 HydrophobicContact CD1-CZ3 3.92Å; F28-W63 AromaticContact CE1-CH2 3.73Å; F28-W63 HydrophobicContact CE1-CH2 3.73Å; F28-W63 HydrophobicContact CE1-CZ3 4.38Å; L29-W63 HydrophobicContact CB-CD2 4.27Å; L29-W63 HydrophobicContact CB-CE3 4.06Å; L29-W63 HydrophobicContact CB-CH2 4.38Å; L29-W63 HydrophobicContact CB-CZ3 4.13Å; L29-W63 HydrophobicContact CD1-CB 4.36Å; L29-W63 VanDerWaalsContact CD1-CD1 3.44Å; L29-W63 HydrophobicContact CD1-CD2 3.38Å; L29-W63 HydrophobicContact CD1-CE3 4.05Å; L29-W63 HydrophobicContact CD1-CG 3.49Å; L29-W63 VanDerWaalsContact CD1-CG 3.49Å; L29-W63 HydrophobicContact CD1-CZ2 3.94Å; L29-W63 VanDerWaalsContact CD1-NE1 3.3Å; L29-W63 HydrophobicContact CG-CD2 4.33Å; F32-W63 HydrophobicContact CB-CH2 4.41Å; F32-W63 HydrophobicContact CB-CZ2 4.3Å; F32-W63 HydrophobicContact CD1-CZ2 4Å; F32-W63 HydrophobicContact CG-CZ2 4.34Å; F53-W63 HydrophobicContact CZ-CZ3 4.44Å; N60-W63 PolarHBondContact O-N 2.93Å; A61-W63 VanDerWaalsContact C-N 3.34Å; A61-W63 PolarHBondContact O-N 3.03Å; W63-Q65 VanDerWaalsContact C-N 3.34Å; W63-Q65 PolarHBondContact O-N 3.3Å; W63-D66 PolarHBondContact O-N 3.46Å; W63-F67 HydrophobicContact CD2-CB 4.46Å; W63-F67 HydrophobicContact CE3-CB 4.2Å; W63-F67 HydrophobicContact CH2-CB 4.04Å; W63-F67 AromaticContact CH2-CD2 3.46Å; W63-F67 HydrophobicContact CH2-CD2 3.46Å; W63-F67 VanDerWaalsContact CH2-CD2 3.46Å; W63-F67 HydrophobicContact CH2-CE2 4.16Å; W63-F67 AromaticContact CH2-CG 3.83Å; W63-F67 HydrophobicContact CH2-CG 3.83Å; W63-F67 HydrophobicContact CZ2-CB 4.35Å; W63-F67 AromaticContact CZ2-CD2 3.77Å; W63-F67 HydrophobicContact CZ2-CD2 3.77Å; W63-F67 HydrophobicContact CZ2-CG 4.36Å; W63-F67 HydrophobicContact CZ3-CB 3.97Å; W63-F67 HydrophobicContact CZ3-CD2 4.18Å; W63-F67 HydrophobicContact CZ3-CG 4.08Å; W63-F67 VanDerWaalsContact O-CB 3.29Å; W63-F67 WeakPolarHBondContact O-CB 3.3Å; W63-F67 PolarHBondContact O-N 3.06Å
64V94.7Very high92.5Very high9 Ų984.1 Ų84.16%0.05544%0.44CS..Hα-helixtrans-61.3-43.4177.1170.10000111.1A25 F53 N60 A61 R62 F67 R68A25-V64 HydrophobicContact CB-CG2 3.95Å; F53-V64 HydrophobicContact CB-CG1 4.18Å; F53-V64 HydrophobicContact CD2-CG1 3.55Å; F53-V64 HydrophobicContact CD2-CG2 4.43Å; F53-V64 HydrophobicContact CE2-CG1 4.2Å; F53-V64 HydrophobicContact CG-CG1 4.05Å; F53-V64 HydrophobicContact CG-CG2 4.33Å; N60-V64 PolarHBondContact O-N 3.33Å; A61-V64 PolarHBondContact O-N 3.25Å; R62-V64 PolarHBondContact O-N 2.97Å; V64-F67 PolarHBondContact O-N 2.92Å; V64-R68 WeakPolarHBondContact O-CG 3.39Å; V64-R68 PolarHBondContact O-N 3.27Å; V64-R68 VanDerWaalsContact O-N 3.08Å
65Q94.1Very high92.5Very high130 Ų13082.8 Ų82.861%0.60743%0.432SS*.Hα-helixtrans-61.1-49.4175.1-71.1174.9-4.700111.2A61 R62 W63 F67 R68 L69A61-Q65 WeakPolarHBondContact O-CG 3.45Å; A61-Q65 PolarHBondContact O-N 2.88Å; R62-Q65 PolarHBondContact O-N 3.43Å; W63-Q65 VanDerWaalsContact C-N 3.34Å; W63-Q65 PolarHBondContact O-N 3.3Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 PolarHBondContact O-N 3.48Å; Q65-R68 PolarHBondContact O-N 2.95Å; Q65-L69 WeakPolarHBondContact O-CG 3.4Å; Q65-L69 PolarHBondContact O-N 3.43Å
66D94.1Very high92.7Very high75 Ų7578.7 Ų78.740%0.40141%0.413SS..Hα-helixtrans-62.1-39.9179.4-73.4-22.4000111.9R62 W63 L69 K70R62-D66 WeakPolarHBondContact O-CB 3.45Å; R62-D66 PolarHBondContact O-N 3.11Å; W63-D66 PolarHBondContact O-N 3.46Å; D66-L69 PolarHBondContact O-N 3.32Å; D66-K70 VanDerWaalsContact O-CG 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.24Å
67F93.5Very high92.8Very high4 Ų481.4 Ų81.42%0.01842%0.419CS..Hα-helixtrans-59.9-49.8176.4179.5-88.6000110.7F28 F32 M51 F53 W63 V64 Q65 L69 K70 Y72 A73F28-F67 HydrophobicContact CE1-CD2 4.1Å; F28-F67 HydrophobicContact CE1-CE1 4.08Å; F28-F67 AromaticContact CE1-CE2 3.51Å; F28-F67 HydrophobicContact CE1-CE2 3.51Å; F28-F67 AromaticContact CE1-CZ 3.5Å; F28-F67 HydrophobicContact CE1-CZ 3.5Å; F28-F67 HydrophobicContact CZ-CE1 4.24Å; F28-F67 AromaticContact CZ-CE2 3.97Å; F28-F67 HydrophobicContact CZ-CE2 3.97Å; F28-F67 AromaticContact CZ-CZ 3.57Å; F28-F67 HydrophobicContact CZ-CZ 3.57Å; F32-F67 AromaticContact CD2-CE2 3.94Å; F32-F67 HydrophobicContact CD2-CE2 3.94Å; F32-F67 HydrophobicContact CE1-CE2 4.36Å; F32-F67 AromaticContact CE2-CE2 3.78Å; F32-F67 HydrophobicContact CE2-CE2 3.78Å; F32-F67 HydrophobicContact CG-CE2 4.32Å; F32-F67 AromaticContact CZ-CE2 4Å; F32-F67 HydrophobicContact CZ-CE2 4Å; M51-F67 HydrophobicContact CE-CE1 3.58Å; M51-F67 HydrophobicContact CE-CZ 3.88Å; F53-F67 AromaticContact CE2-CD1 3.88Å; F53-F67 HydrophobicContact CE2-CD1 3.88Å; F53-F67 HydrophobicContact CE2-CE1 4.23Å; F53-F67 AromaticContact CZ-CD1 3.94Å; F53-F67 HydrophobicContact CZ-CD1 3.94Å; F53-F67 HydrophobicContact CZ-CE1 4.03Å; W63-F67 HydrophobicContact CD2-CB 4.46Å; W63-F67 HydrophobicContact CE3-CB 4.2Å; W63-F67 HydrophobicContact CH2-CB 4.04Å; W63-F67 AromaticContact CH2-CD2 3.46Å; W63-F67 HydrophobicContact CH2-CD2 3.46Å; W63-F67 VanDerWaalsContact CH2-CD2 3.46Å; W63-F67 HydrophobicContact CH2-CE2 4.16Å; W63-F67 AromaticContact CH2-CG 3.83Å; W63-F67 HydrophobicContact CH2-CG 3.83Å; W63-F67 HydrophobicContact CZ2-CB 4.35Å; W63-F67 AromaticContact CZ2-CD2 3.77Å; W63-F67 HydrophobicContact CZ2-CD2 3.77Å; W63-F67 HydrophobicContact CZ2-CG 4.36Å; W63-F67 HydrophobicContact CZ3-CB 3.97Å; W63-F67 HydrophobicContact CZ3-CD2 4.18Å; W63-F67 HydrophobicContact CZ3-CG 4.08Å; W63-F67 VanDerWaalsContact O-CB 3.29Å; W63-F67 WeakPolarHBondContact O-CB 3.3Å; W63-F67 PolarHBondContact O-N 3.06Å; V64-F67 PolarHBondContact O-N 2.92Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 PolarHBondContact O-N 3.48Å; F67-L69 PolarHBondContact O-N 2.92Å; F67-L69 VanDerWaalsContact O-N 3.08Å; F67-K70 WeakPolarHBondContact O-CB 3.16Å; F67-K70 PolarHBondContact O-N 3.2Å; F67-Y72 HydrophobicContact CD2-CD2 4.15Å; F67-Y72 AromaticContact CD2-CE2 3.54Å; F67-Y72 HydrophobicContact CD2-CE2 3.54Å; F67-Y72 AromaticContact CE2-CD2 3.63Å; F67-Y72 HydrophobicContact CE2-CD2 3.63Å; F67-Y72 AromaticContact CE2-CE2 3.49Å; F67-Y72 HydrophobicContact CE2-CE2 3.49Å; F67-Y72 VanDerWaalsContact CE2-CE2 3.49Å; F67-Y72 HydrophobicContact CG-CE2 4.38Å; F67-Y72 HydrophobicContact CZ-CD2 4.09Å; F67-Y72 HydrophobicContact CZ-CE2 4.32Å; F67-A73 HydrophobicContact CD1-CB 3.94Å; F67-A73 HydrophobicContact CE1-CB 3.63Å; F67-A73 HydrophobicContact CZ-CB 4.23Å; F67-A73 VanDerWaalsContact O-CB 3.28Å; F67-A73 WeakPolarHBondContact O-CB 3.49Å
68R92.6Very high92.9Very high124 Ų12478.3 Ų78.347%0.46840%0.4SS..Hα-helixtrans-58.4-23.8-177.8-77.1179170-159.5-8.3114E52 V64 Q65 K70E52-R68 IonicContact OE2-NH2 2.75Å; E52-R68 PolarHBondContact OE2-NH2 3.08Å; V64-R68 WeakPolarHBondContact O-CG 3.39Å; V64-R68 PolarHBondContact O-N 3.27Å; V64-R68 VanDerWaalsContact O-N 3.08Å; Q65-R68 PolarHBondContact O-N 2.95Å; R68-K70 VanDerWaalsContact C-N 3.31Å
69L92.3Very high93Very high146 Ų14673.8 Ų73.876%0.76438%0.379SS*.THydrogen-bonded Turntrans-82.8-5.8179-63.2174.1000113.8Q65 D66 F67Q65-L69 WeakPolarHBondContact O-CG 3.4Å; Q65-L69 PolarHBondContact O-N 3.43Å; D66-L69 PolarHBondContact O-N 3.32Å; F67-L69 PolarHBondContact O-N 2.92Å; F67-L69 VanDerWaalsContact O-N 3.08Å
70K91.2Very high93.2Very high106 Ų10673 Ų7346%0.46137%0.374SS..SBendtrans-95.4149.2-172.5-58.3-75.1-178.2-171.10110.9D66 F67 R68 Y72 A73D66-K70 VanDerWaalsContact O-CG 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.24Å; F67-K70 WeakPolarHBondContact O-CB 3.16Å; F67-K70 PolarHBondContact O-N 3.2Å; R68-K70 VanDerWaalsContact C-N 3.31Å; K70-Y72 HydrophobicContact CB-CD1 3.94Å; K70-Y72 HydrophobicContact CB-CD2 3.82Å; K70-Y72 HydrophobicContact CB-CE1 3.61Å; K70-Y72 HydrophobicContact CB-CE2 3.44Å; K70-Y72 VanDerWaalsContact CB-CE2 3.44Å; K70-Y72 HydrophobicContact CB-CG 4.06Å; K70-Y72 HydrophobicContact CD-CE1 4.24Å; K70-Y72 HydrophobicContact CG-CE1 3.94Å; K70-Y72 HydrophobicContact CG-CE2 3.85Å; K70-Y72 VanDerWaalsContact CG-CZ 3.46Å; K70-Y72 WeakPolarHBondContact CG-OH 3.26Å; K70-Y72 PolarHBondContact O-N 3.03Å; K70-A73 VanDerWaalsContact O-CB 3.22Å; K70-A73 WeakPolarHBondContact O-CB 3.25Å; K70-A73 PolarHBondContact O-N 2.88Å
71A85.6Confident93.3Very high96 Ų9674 Ų7479%0.79338%0.379SS*.G310 helixtrans-58.9-33.6179.100000113A73 S74A71-A73 PolarHBondContact O-N 3.49Å; A71-S74 PolarHBondContact O-N 2.83Å
72Y83.7Confident93.3Very high106 Ų10676.7 Ų76.742%0.41639%0.389SS..G310 helixtrans-73.1-6.3177.355.1-114.1000114.3F32 F67 K70F32-Y72 HydrophobicContact CE1-CE2 4.07Å; F32-Y72 HydrophobicContact CE2-CD2 4.17Å; F32-Y72 HydrophobicContact CE2-CE2 4.36Å; F32-Y72 AromaticContact CZ-CD2 3.72Å; F32-Y72 HydrophobicContact CZ-CD2 3.72Å; F32-Y72 HydrophobicContact CZ-CE1 4.44Å; F32-Y72 AromaticContact CZ-CE2 3.59Å; F32-Y72 HydrophobicContact CZ-CE2 3.59Å; F32-Y72 HydrophobicContact CZ-CG 4.23Å; F32-Y72 AromaticContact CZ-CZ 3.93Å; F67-Y72 HydrophobicContact CD2-CD2 4.15Å; F67-Y72 AromaticContact CD2-CE2 3.54Å; F67-Y72 HydrophobicContact CD2-CE2 3.54Å; F67-Y72 AromaticContact CE2-CD2 3.63Å; F67-Y72 HydrophobicContact CE2-CD2 3.63Å; F67-Y72 AromaticContact CE2-CE2 3.49Å; F67-Y72 HydrophobicContact CE2-CE2 3.49Å; F67-Y72 VanDerWaalsContact CE2-CE2 3.49Å; F67-Y72 HydrophobicContact CG-CE2 4.38Å; F67-Y72 HydrophobicContact CZ-CD2 4.09Å; F67-Y72 HydrophobicContact CZ-CE2 4.32Å; K70-Y72 HydrophobicContact CB-CD1 3.94Å; K70-Y72 HydrophobicContact CB-CD2 3.82Å; K70-Y72 HydrophobicContact CB-CE1 3.61Å; K70-Y72 HydrophobicContact CB-CE2 3.44Å; K70-Y72 VanDerWaalsContact CB-CE2 3.44Å; K70-Y72 HydrophobicContact CB-CG 4.06Å; K70-Y72 HydrophobicContact CD-CE1 4.24Å; K70-Y72 HydrophobicContact CG-CE1 3.94Å; K70-Y72 HydrophobicContact CG-CE2 3.85Å; K70-Y72 VanDerWaalsContact CG-CZ 3.46Å; K70-Y72 WeakPolarHBondContact CG-OH 3.26Å; K70-Y72 PolarHBondContact O-N 3.03Å
73A87.2Confident93.1Very high19 Ų1967.9 Ų67.916%0.15736%0.357CS..G310 helixtrans-75.9-13.9172.600000112.7F67 K70 A71 P75F67-A73 HydrophobicContact CD1-CB 3.94Å; F67-A73 HydrophobicContact CE1-CB 3.63Å; F67-A73 HydrophobicContact CZ-CB 4.23Å; F67-A73 VanDerWaalsContact O-CB 3.28Å; F67-A73 WeakPolarHBondContact O-CB 3.49Å; K70-A73 VanDerWaalsContact O-CB 3.22Å; K70-A73 WeakPolarHBondContact O-CB 3.25Å; K70-A73 PolarHBondContact O-N 2.88Å; A71-A73 PolarHBondContact O-N 3.49Å; A73-P75 VanDerWaalsContact O-CD 3.24Å; A73-P75 WeakPolarHBondContact O-CD 3.45Å
74S92.4Very high93Very high95 Ų9567.6 Ų67.666%0.66437%0.368SS*.SBendtrans-82107.1169.7-170.40000109.1A71A71-S74 PolarHBondContact O-N 2.83Å
75P94.9Very high93.1Very high12 Ų1274.6 Ų74.68%0.07839%0.393CS..PPolyproline II helixtrans-76147.3-174.929.3-29.3000111.2V43 T45 K49 A73V43-P75 HydrophobicContact CB-CB 4.47Å; V43-P75 HydrophobicContact CG1-CB 4.1Å; V43-P75 WeakPolarHBondContact O-CA 3.29Å; T45-P75 HydrophobicContact CG2-CB 3.78Å; T45-P75 HydrophobicContact CG2-CG 3.88Å; T45-P75 VanDerWaalsContact OG1-CG 3.31Å; T45-P75 WeakPolarHBondContact OG1-CG 3.49Å; K49-P75 WeakPolarHBondContact O-CG 3.15Å; A73-P75 VanDerWaalsContact O-CD 3.24Å; A73-P75 WeakPolarHBondContact O-CD 3.45Å
76A96.9Very high93.2Very high20 Ų2068.6 Ų68.617%0.16537%0.365CS..EExtended strand (participates in β ladder)trans-69.3154.316900000111Q42 V43 A44 T45 L78 I81Q42-A76 HydrophobicContact CG-CB 4.29Å; V43-A76 PolarHBondContact O-N 2.96Å; A44-A76 VanDerWaalsContact CA-O 3.29Å; A44-A76 WeakPolarHBondContact CA-O 3.24Å; A44-A76 HydrophobicContact CB-CB 4.43Å; T45-A76 PolarHBondContact N-O 2.99Å; T45-A76 VanDerWaalsContact N-O 3.12Å; A76-L78 PolarHBondContact O-N 2.96Å; A76-I81 HydrophobicContact CB-CD1 3.94Å
77K96.9Very high93.3Very high127 Ų12770.2 Ų70.255%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-70.8120.4173.7-61.3-171.3176.6179.10109.5E79 S80 I81K77-E79 WeakPolarHBondContact CB-OE2 3.33Å; K77-E79 PolarHBondContact O-N 3.3Å; K77-E79 VanDerWaalsContact O-N 3.14Å; K77-S80 PolarHBondContact O-N 3.24Å; K77-S80 PolarHBondContact O-OG 2.77Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å
78L95.5Very high93.5Very high1 Ų170 Ų701%0.00537%0.369CS..G310 helixtrans-56.3-31.6179.2-166.962.5000112.3V15 A44 T45 P46 A76 S80 I81 L101 L107 I110V15-L78 HydrophobicContact CG1-CD1 4.34Å; V15-L78 HydrophobicContact CG1-CD2 4.49Å; V15-L78 HydrophobicContact CG2-CD1 4.01Å; A44-L78 HydrophobicContact CB-CD1 4.04Å; T45-L78 WeakPolarHBondContact O-CB 3.48Å; T45-L78 PolarHBondContact O-N 3.01Å; P46-L78 HydrophobicContact CG-CD2 4.21Å; A76-L78 PolarHBondContact O-N 2.96Å; L78-S80 PolarHBondContact O-N 2.77Å; L78-I81 HydrophobicContact CD1-CG1 4.35Å; L78-I81 WeakPolarHBondContact O-CB 3.41Å; L78-I81 PolarHBondContact O-N 3.03Å; L78-L101 HydrophobicContact CD2-CD2 4.29Å; L78-L107 HydrophobicContact CD2-CB 4.01Å; L78-I110 HydrophobicContact CD1-CD1 3.56Å; L78-I110 HydrophobicContact CG-CD1 4.09Å
79E96.1Very high93.7Very high100 Ų10064.1 Ų64.147%0.46735%0.347SS..G310 helixtrans-66.8-20.6177.5-55.570.7-155.300113.4G47 K77G47-E79 WeakPolarHBondContact CA-OE2 3.43Å; G47-E79 VanDerWaalsContact N-CD 3.35Å; G47-E79 PolarHBondContact N-OE1 2.83Å; G47-E79 PolarHBondContact N-OE2 2.99Å; K77-E79 WeakPolarHBondContact CB-OE2 3.33Å; K77-E79 PolarHBondContact O-N 3.3Å; K77-E79 VanDerWaalsContact O-N 3.14Å
80S95.6Very high94Very high84 Ų8457.1 Ų57.159%0.58731%0.31SS*.G310 helixtrans-99.10.2-179.170.50000113.6K77 L78K77-S80 PolarHBondContact O-N 3.24Å; K77-S80 PolarHBondContact O-OG 2.77Å; L78-S80 PolarHBondContact O-N 2.77Å
81I96.5Very high94.4Very high21 Ų2152.1 Ų52.111%0.10829%0.288CS..  trans-80.2124.9-175.6-62.7-56.8000110L13 A44 A76 K77 L78 Y86 I110L13-I81 HydrophobicContact CD1-CD1 4.12Å; L13-I81 HydrophobicContact CD1-CG1 4.34Å; L13-I81 HydrophobicContact CD1-CG2 4.15Å; L13-I81 HydrophobicContact CD2-CG2 3.62Å; A44-I81 HydrophobicContact CB-CD1 4.1Å; A44-I81 HydrophobicContact CB-CG1 4.06Å; A76-I81 HydrophobicContact CB-CD1 3.94Å; K77-I81 WeakPolarHBondContact O-CG1 3.43Å; L78-I81 HydrophobicContact CD1-CG1 4.35Å; L78-I81 WeakPolarHBondContact O-CB 3.41Å; L78-I81 PolarHBondContact O-N 3.03Å; I81-Y86 HydrophobicContact CG2-CD2 4.28Å; I81-Y86 HydrophobicContact CG2-CE2 3.59Å; I81-I110 HydrophobicContact CB-CD1 3.91Å; I81-I110 HydrophobicContact CG2-CD1 3.77Å; I81-I110 HydrophobicContact CG2-CG1 4.27Å
82D94.6Very high95Very high85 Ų8547.5 Ų47.546%0.45525%0.251SS..  trans-93.3111.4164.7173.811.2000109.8A84 R85 Y86D82-A84 PolarHBondContact O-N 3.21Å; D82-A84 VanDerWaalsContact OD1-CB 3.26Å; D82-A84 WeakPolarHBondContact OD1-CB 3.23Å; D82-A84 PolarHBondContact OD1-N 3.33Å; D82-R85 HydrophobicContact CB-CG 4.27Å; D82-R85 PolarHBondContact O-N 3.49Å; D82-Y86 VanDerWaalsContact O-CD2 3.3Å; D82-Y86 WeakPolarHBondContact O-CD2 3.41Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å
83G91.9Very high95.6Very high6 Ų643 Ų436%0.06223%0.234CC..G310 helixtrans-61.6-20.6-179.800000114.3R85 Y86 K119G83-R85 PolarHBondContact O-N 3.34Å; G83-Y86 PolarHBondContact O-N 2.92Å; G83-K119 PolarHBondContact O-NZ 3.43Å; G83-K119 VanDerWaalsContact O-NZ 3.08Å
84A93.6Very high96Very high53 Ų5342 Ų4244%0.43823%0.227SC..G310 helixtrans-63.9-31.717800000112.3D82 Y86 K119D82-A84 PolarHBondContact O-N 3.21Å; D82-A84 VanDerWaalsContact OD1-CB 3.26Å; D82-A84 WeakPolarHBondContact OD1-CB 3.23Å; D82-A84 PolarHBondContact OD1-N 3.33Å; A84-Y86 VanDerWaalsContact C-N 3.26Å; A84-Y86 PolarHBondContact O-N 3.44Å; A84-K119 PolarHBondContact O-NZ 3.15Å
85R95.1Very high96Very high157 Ų15739.1 Ų39.159%0.59221%0.206SC*.G310 helixtrans-71.9-16.1-175.7-63.9177.958.3-166.7-6.8114.6D82 G83D82-R85 HydrophobicContact CB-CG 4.27Å; D82-R85 PolarHBondContact O-N 3.49Å; G83-R85 PolarHBondContact O-N 3.34Å
86Y96.8Very high96.1Very high3 Ų338.6 Ų38.61%0.01220%0.202CC..  trans-108.8146.1-173.5-56.1-84.6000111A11 L13 Q42 I81 D82 G83 A84 K119A11-Y86 HydrophobicContact CB-CD1 3.9Å; A11-Y86 HydrophobicContact CB-CE1 4.44Å; L13-Y86 HydrophobicContact CB-CD1 3.68Å; L13-Y86 HydrophobicContact CB-CD2 4.2Å; L13-Y86 HydrophobicContact CB-CE1 4.01Å; L13-Y86 HydrophobicContact CB-CG 3.75Å; L13-Y86 HydrophobicContact CD1-CE1 3.98Å; L13-Y86 HydrophobicContact CD1-CE2 4.25Å; Q42-Y86 HydrophobicContact CB-CE1 3.9Å; Q42-Y86 PolarHBondContact OE1-OH 3.37Å; I81-Y86 HydrophobicContact CG2-CD2 4.28Å; I81-Y86 HydrophobicContact CG2-CE2 3.59Å; D82-Y86 VanDerWaalsContact O-CD2 3.3Å; D82-Y86 WeakPolarHBondContact O-CD2 3.41Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; G83-Y86 PolarHBondContact O-N 2.92Å; A84-Y86 VanDerWaalsContact C-N 3.26Å; A84-Y86 PolarHBondContact O-N 3.44Å; Y86-K119 WeakPolarHBondContact O-CD 3.31Å; Y86-K119 WeakPolarHBondContact O-CE 3.22Å; Y86-K119 PolarHBondContact O-NZ 2.9Å
87H96.1Very high96Very high109 Ų10937.6 Ų37.651%0.50519%0.194SC..SBendtrans-96.8-27.6179.4-63.665.3000111.2P10 A11 P120P10-H87 HydrophobicContact CB-CB 3.96Å; A11-H87 PolarHBondContact O-N 2.8Å; H87-P120 WeakPolarHBondContact O-CD 3.38Å
88A97.4Very high96Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-141.1151-17900000111.1C12 L13 F39 P120 L212C12-A88 WeakPolarHBondContact CA-O 3.23Å; C12-A88 HydrophobicContact CB-CB 4.23Å; L13-A88 PolarHBondContact N-O 3.42Å; F39-A88 HydrophobicContact CE1-CB 4.23Å; F39-A88 HydrophobicContact CZ-CB 4.06Å; A88-P120 WeakPolarHBondContact CA-O 3.31Å; A88-L212 HydrophobicContact CB-CD1 4.23Å
89L98.3Very high96Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-117.3128.4173.3179.464.7000108.6L13 V15 I91 L111 F114 P120 I121 C122L13-L89 HydrophobicContact CB-CD1 4Å; L13-L89 HydrophobicContact CD2-CD1 3.8Å; L13-L89 HydrophobicContact CG-CD1 4.01Å; L13-L89 WeakPolarHBondContact O-CA 3.3Å; V15-L89 HydrophobicContact CB-CD1 4.41Å; V15-L89 HydrophobicContact CG2-CD1 3.55Å; L89-I91 HydrophobicContact CD2-CD1 4.38Å; L89-I91 HydrophobicContact CG-CG1 4.29Å; L89-L111 HydrophobicContact CD2-CD2 3.42Å; L89-L111 VanDerWaalsContact CD2-CD2 3.42Å; L89-L111 HydrophobicContact CD2-CG 4.32Å; L89-F114 HydrophobicContact CB-CD1 3.77Å; L89-F114 HydrophobicContact CB-CE1 3.5Å; L89-F114 VanDerWaalsContact CB-CE1 3.5Å; L89-F114 HydrophobicContact CB-CE2 4.49Å; L89-F114 HydrophobicContact CB-CG 4.41Å; L89-F114 HydrophobicContact CB-CZ 3.85Å; L89-F114 VanDerWaalsContact N-CE1 3.33Å; L89-P120 PolarHBondContact N-O 3.46Å; L89-I121 HydrophobicContact CB-CG1 4.35Å; L89-I121 HydrophobicContact CD2-CG1 4.36Å; L89-I121 HydrophobicContact CD2-CG2 4.09Å; L89-I121 HydrophobicContact CG-CG2 4.48Å; L89-I121 CarbonylContact O-C 3.24Å; L89-I121 WeakPolarHBondContact O-CA 3.41Å; L89-C122 PolarHBondContact O-N 3.36Å
90L98.6Very high96Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-128.2126.7178.6-179.856.2000110.3L13 L14 V15 C31 A35 C122 V209 L212L13-L90 PolarHBondContact O-N 3.05Å; L14-L90 CarbonylContact C-O 3.59Å; L14-L90 VanDerWaalsContact CA-O 3.29Å; L14-L90 WeakPolarHBondContact CA-O 3.47Å; L14-L90 HydrophobicContact CD1-CD2 4.14Å; L14-L90 HydrophobicContact CD1-CG 4.45Å; V15-L90 PolarHBondContact N-O 2.93Å; C31-L90 HydrophobicContact CB-CD2 3.7Å; C31-L90 HydrophobicContact CB-CG 4.18Å; A35-L90 HydrophobicContact CB-CD2 3.84Å; L90-C122 CarbonylContact C-O 3.59Å; L90-C122 WeakPolarHBondContact CA-O 3.36Å; L90-C122 HydrophobicContact CD1-CB 3.68Å; L90-V209 HydrophobicContact CD1-CG2 4.14Å; L90-V209 HydrophobicContact CD2-CG2 4.42Å; L90-L212 HydrophobicContact CB-CD2 4.15Å; L90-L212 HydrophobicContact CD1-CD2 4.09Å; L90-L212 HydrophobicContact CD2-CD2 4.33Å; L90-L212 HydrophobicContact CG-CD2 4.43Å
91I98.5Very high96.1Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-123.8104179.9-44.3-174.4000107.5V15 L89 C122 A123 V124 A130V15-I91 HydrophobicContact CB-CG1 4.29Å; L89-I91 HydrophobicContact CD2-CD1 4.38Å; L89-I91 HydrophobicContact CG-CG1 4.29Å; I91-C122 PolarHBondContact N-O 3.06Å; I91-A123 HydrophobicContact CB-CB 4.13Å; I91-A123 WeakPolarHBondContact O-CA 3.38Å; I91-V124 PolarHBondContact O-N 3.39Å; I91-A130 HydrophobicContact CD1-CB 3.78Å; I91-A130 HydrophobicContact CG2-CB 4.2Å
92P98Very high96.1Very high0 Ų028.1 Ų28.10%015%0.151CC..  trans-67.3171.617529.1-30.4000110.7L14 V15 V23 F28 C31 C94 V124 G127L14-P92 HydrophobicContact CD2-CG 4.4Å; V15-P92 VanDerWaalsContact O-CD 3.28Å; V15-P92 WeakPolarHBondContact O-CD 3.46Å; V23-P92 HydrophobicContact CG1-CG 4.18Å; F28-P92 HydrophobicContact CB-CB 4.38Å; F28-P92 HydrophobicContact CB-CG 4.41Å; F28-P92 HydrophobicContact CD2-CG 3.81Å; C31-P92 HydrophobicContact CB-CB 4.22Å; P92-C94 PolarHBondContact O-N 3.26Å; P92-C94 VanDerWaalsContact O-N 3.07Å; P92-C94 PolarHBondContact O-SG 3.08Å; P92-V124 CarbonylContact C-O 3.56Å; P92-G127 WeakPolarHBondContact O-CA 3.43Å
93S96.9Very high96Very high10 Ų1028.7 Ų28.77%0.0716%0.162CC..  trans-62.6113.9170.8-171.50000110.3S24 S27 V124 H126S24-S93 WeakPolarHBondContact CB-O 3.29Å; S24-S93 PolarHBondContact N-O 3.48Å; S27-S93 PolarHBondContact OG-N 2.94Å; S93-V124 WeakPolarHBondContact CA-O 3.09Å; S93-V124 PolarHBondContact N-O 3.12Å; S93-H126 PolarHBondContact OG-N 2.93Å
94C94.9Very high96.3Very high0 Ų029 Ų290%016%0.163CC..  trans-133.6104177.543.70000109.9G22 V23 P92 G96 A97 H126G22-C94 CarbonylContact O-C 3.51Å; V23-C94 HydrophobicContact CB-CB 4.26Å; V23-C94 HydrophobicContact CG1-CB 4.13Å; V23-C94 HydrophobicContact CG2-CB 4.07Å; P92-C94 PolarHBondContact O-N 3.26Å; P92-C94 VanDerWaalsContact O-N 3.07Å; P92-C94 PolarHBondContact O-SG 3.08Å; C94-G96 PolarHBondContact O-N 3.28Å; C94-A97 WeakPolarHBondContact O-CB 3.15Å; C94-A97 PolarHBondContact O-N 3.25Å; C94-H126 WeakPolarHBondContact O-CB 3.4Å
95P93.8Very high96.3Very high34 Ų3428.6 Ų28.622%0.22116%0.164CC..THydrogen-bonded Turntrans-53.3-34.6176.6-28.837.4000113.3E21 G22 V54 A97 L98E21-P95 HydrophobicContact CB-CB 4.31Å; G22-P95 WeakPolarHBondContact O-CD 3.48Å; V54-P95 HydrophobicContact CG2-CG 4.13Å; P95-A97 PolarHBondContact O-N 3.04Å; P95-A97 VanDerWaalsContact O-N 3.14Å; P95-L98 PolarHBondContact O-N 2.93Å
96G95.4Very high96.3Very high0 Ų022.3 Ų22.30%014%0.144CC..THydrogen-bonded Turntrans-63.3-1417500000115.3S17 G22 C94 L98 T99 D100S17-G96 VanDerWaalsContact OG-CA 3.31Å; S17-G96 WeakPolarHBondContact OG-CA 3.38Å; S17-G96 PolarHBondContact OG-O 3.39Å; G22-G96 PolarHBondContact O-N 3Å; G22-G96 VanDerWaalsContact O-N 3.09Å; C94-G96 PolarHBondContact O-N 3.28Å; G96-L98 PolarHBondContact O-N 3.27Å; G96-T99 WeakPolarHBondContact O-CA 3.35Å; G96-T99 WeakPolarHBondContact O-CB 3.44Å; G96-T99 PolarHBondContact O-N 3.29Å; G96-D100 PolarHBondContact O-N 3.28Å; G96-D100 VanDerWaalsContact O-N 3.13Å
97A96.6Very high96.4Very high0 Ų022.1 Ų22.10%014%0.143CC..Hα-helixtrans-57-33.317600000112.9C94 P95 T99 L101 A102 H126 A129C94-A97 WeakPolarHBondContact O-CB 3.15Å; C94-A97 PolarHBondContact O-N 3.25Å; P95-A97 PolarHBondContact O-N 3.04Å; P95-A97 VanDerWaalsContact O-N 3.14Å; A97-T99 PolarHBondContact O-N 3.44Å; A97-L101 HydrophobicContact CB-CB 4.04Å; A97-L101 HydrophobicContact CB-CD1 3.92Å; A97-L101 HydrophobicContact CB-CG 4.26Å; A97-L101 CarbonylContact O-C 3.55Å; A97-L101 WeakPolarHBondContact O-CA 3.35Å; A97-L101 PolarHBondContact O-N 3.44Å; A97-A102 WeakPolarHBondContact O-CB 3.48Å; A97-A102 PolarHBondContact O-N 3.06Å; A97-H126 WeakPolarHBondContact CB-O 3.49Å; A97-A129 HydrophobicContact CB-CB 4.34Å
98L95.4Very high96.4Very high17 Ų1717.4 Ų17.49%0.08912%0.123CC..Hα-helixtrans-64-26.2175.7-71.4168.5000112.5P95 G96 A129 L165 P166 L167P95-L98 PolarHBondContact O-N 2.93Å; G96-L98 PolarHBondContact O-N 3.27Å; L98-A129 HydrophobicContact CD2-CB 3.62Å; L98-A129 HydrophobicContact CG-CB 4.09Å; L98-L165 HydrophobicContact CD1-CD2 3.71Å; L98-P166 HydrophobicContact CB-CG 3.93Å; L98-P166 WeakPolarHBondContact O-CG 3.34Å; L98-L167 HydrophobicContact CD2-CB 3.82Å; L98-L167 HydrophobicContact CD2-CD2 4.29Å; L98-L167 HydrophobicContact CD2-CG 4.41Å; L98-L167 WeakPolarHBondContact CD2-O 3.46Å
99T95.6Very high96.3Very high73 Ų7325.8 Ų25.845%0.44815%0.154SC..Hα-helixtrans-88.2-45.1-178.1-53.30000111.9A19 E21 G96 A97A19-T99 HydrophobicContact CB-CG2 4.01Å; E21-T99 PolarHBondContact OE2-OG1 3.4Å; G96-T99 WeakPolarHBondContact O-CA 3.35Å; G96-T99 WeakPolarHBondContact O-CB 3.44Å; G96-T99 PolarHBondContact O-N 3.29Å; A97-T99 PolarHBondContact O-N 3.44Å
100D96.2Very high96.3Very high28 Ų2826.1 Ų26.115%0.1516%0.156CC..Hα-helixtrans-123.4-22.6-16971-13.1000116.1S17 G18 A19 P46 G96 S104S17-D100 WeakPolarHBondContact CB-OD1 3.48Å; S17-D100 PolarHBondContact OG-OD1 3.32Å; S17-D100 PolarHBondContact OG-OD2 2.64Å; S17-D100 VanDerWaalsContact OG-OD2 3.07Å; G18-D100 PolarHBondContact N-OD2 2.79Å; A19-D100 HydrophobicContact CB-CB 4.38Å; A19-D100 PolarHBondContact N-OD2 3.37Å; P46-D100 HydrophobicContact CG-CB 4.26Å; G96-D100 PolarHBondContact O-N 3.28Å; G96-D100 VanDerWaalsContact O-N 3.13Å; D100-S104 WeakPolarHBondContact O-CB 3.45Å
101L97.3Very high96.2Very high0 Ų026.1 Ų26.10%016%0.156CC..THydrogen-bonded Turntrans-95.2-37.9-178.2-60-176.3000113.1V15 P46 L78 A97 S103 S104 L107 A130V15-L101 HydrophobicContact CG1-CD1 4.02Å; V15-L101 HydrophobicContact CG1-CD2 4.02Å; P46-L101 HydrophobicContact CG-CD2 3.56Å; L78-L101 HydrophobicContact CD2-CD2 4.29Å; A97-L101 HydrophobicContact CB-CB 4.04Å; A97-L101 HydrophobicContact CB-CD1 3.92Å; A97-L101 HydrophobicContact CB-CG 4.26Å; A97-L101 CarbonylContact O-C 3.55Å; A97-L101 WeakPolarHBondContact O-CA 3.35Å; A97-L101 PolarHBondContact O-N 3.44Å; L101-S103 PolarHBondContact O-N 3.44Å; L101-S103 VanDerWaalsContact O-N 3.12Å; L101-S104 WeakPolarHBondContact O-CB 3.48Å; L101-S104 PolarHBondContact O-N 3.2Å; L101-L107 HydrophobicContact CB-CD2 4.02Å; L101-L107 HydrophobicContact CD2-CD2 4.31Å; L101-A130 HydrophobicContact CB-CB 3.72Å; L101-A130 HydrophobicContact CD1-CB 3.98Å; L101-A130 HydrophobicContact CG-CB 4.5Å
102A96.7Very high96.1Very high15 Ų1529.3 Ų29.312%0.12417%0.171CC..THydrogen-bonded Turntrans-63.1-18.7-175.800000113.7A97 A129 C133 L167A97-A102 WeakPolarHBondContact O-CB 3.48Å; A97-A102 PolarHBondContact O-N 3.06Å; A102-A129 WeakPolarHBondContact CA-O 3.4Å; A102-A129 HydrophobicContact CB-CB 4.32Å; A102-A129 WeakPolarHBondContact CB-O 3.42Å; A102-C133 VanDerWaalsContact O-CA 3.3Å; A102-C133 WeakPolarHBondContact O-CA 3.42Å; A102-C133 VanDerWaalsContact O-CB 3.23Å; A102-C133 WeakPolarHBondContact O-CB 3.34Å; A102-C133 PolarHBondContact O-N 2.8Å; A102-L167 HydrophobicContact CB-CD2 4.05Å
103S93.9Very high96.1Very high98 Ų9832 Ų3269%0.68518%0.183SC*.THydrogen-bonded Turntrans-123.319.4175.163.40000113L101 G105L101-S103 PolarHBondContact O-N 3.44Å; L101-S103 VanDerWaalsContact O-N 3.12Å; S103-G105 PolarHBondContact O-N 2.98Å
104S96.3Very high96.1Very high13 Ų1331.5 Ų31.59%0.09118%0.18CC..  trans-80.2113.3-177.1-179.70000112.1D100 L101 S106 L107 A108D100-S104 WeakPolarHBondContact O-CB 3.45Å; L101-S104 WeakPolarHBondContact O-CB 3.48Å; L101-S104 PolarHBondContact O-N 3.2Å; S104-S106 VanDerWaalsContact C-N 3.27Å; S104-S106 PolarHBondContact O-N 2.85Å; S104-L107 PolarHBondContact O-N 3.11Å; S104-L107 PolarHBondContact OG-N 3.1Å; S104-A108 WeakPolarHBondContact O-CB 3.46Å; S104-A108 PolarHBondContact O-N 3.13Å
105G94.6Very high96.2Very high44 Ų4433.8 Ų33.845%0.45419%0.191SC..Hα-helixtrans-65-28.8174.400000113.8S103 R109S103-G105 PolarHBondContact O-N 2.98Å; G105-R109 WeakPolarHBondContact O-CG 3.38Å; G105-R109 PolarHBondContact O-N 3.49Å
106S95.5Very high96.3Very high24 Ų2436 Ų3617%0.16821%0.207CC..Hα-helixtrans-70.4-43.2174.9-58.90000111.1S104 A108 R109 I110S104-S106 VanDerWaalsContact C-N 3.27Å; S104-S106 PolarHBondContact O-N 2.85Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-R109 PolarHBondContact O-N 3.45Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.33Å
107L97.5Very high96.4Very high0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-66.2-39.1175.5-172.156.9000111.7V15 L78 L101 S104 R109 I110 L111 A130V15-L107 HydrophobicContact CG1-CD1 4.2Å; V15-L107 HydrophobicContact CG1-CD2 4.49Å; V15-L107 HydrophobicContact CG2-CD1 4.25Å; L78-L107 HydrophobicContact CD2-CB 4.01Å; L101-L107 HydrophobicContact CB-CD2 4.02Å; L101-L107 HydrophobicContact CD2-CD2 4.31Å; S104-L107 PolarHBondContact O-N 3.11Å; S104-L107 PolarHBondContact OG-N 3.1Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.09Å; L107-I110 PolarHBondContact O-N 3.25Å; L107-I110 VanDerWaalsContact O-N 3.1Å; L107-L111 HydrophobicContact CD1-CD1 4.43Å; L107-L111 HydrophobicContact CD1-CG 4.25Å; L107-L111 HydrophobicContact CD2-CD1 4.33Å; L107-L111 HydrophobicContact CG-CD1 3.86Å; L107-L111 HydrophobicContact CG-CG 4.17Å; L107-L111 WeakPolarHBondContact O-CG 3.27Å; L107-L111 PolarHBondContact O-N 3.11Å; L107-A130 HydrophobicContact CD2-CB 3.65Å; L107-A130 WeakPolarHBondContact CD2-O 3.24Å
108A96.9Very high96.4Very high10 Ų1044.2 Ų44.28%0.08325%0.252CS..Hα-helixtrans-54-46.9177.200000111.5S104 S106 I110 L111 Q112 C133S104-A108 WeakPolarHBondContact O-CB 3.46Å; S104-A108 PolarHBondContact O-N 3.13Å; S106-A108 VanDerWaalsContact C-N 3.34Å; A108-I110 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.34Å; A108-Q112 WeakPolarHBondContact O-CB 3.3Å; A108-Q112 VanDerWaalsContact O-CG 3.23Å; A108-Q112 WeakPolarHBondContact O-CG 3.39Å; A108-Q112 PolarHBondContact O-N 2.95Å; A108-C133 HydrophobicContact CB-CB 4.36Å; A108-C133 VanDerWaalsContact CB-O 3.23Å; A108-C133 WeakPolarHBondContact CB-O 3.34Å; A108-C133 PolarHBondContact N-SG 2.95Å
109R95.8Very high96.4Very high175 Ų17544.9 Ų44.966%0.6625%0.254SS*.Hα-helixtrans-62-41.4176.7-68.3175.2-171.5139.51.8112.9G105 S106 L107 H113G105-R109 WeakPolarHBondContact O-CG 3.38Å; G105-R109 PolarHBondContact O-N 3.49Å; S106-R109 PolarHBondContact O-N 3.45Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.09Å; R109-H113 PolarHBondContact O-N 2.87Å
110I97.4Very high96.5Very high7 Ų741.5 Ų41.54%0.03623%0.233CC..Hα-helixtrans-64.4-46.9177.3-64.3162.6000109.7L13 L78 I81 S106 L107 A108 Q112 H113 F114L13-I110 HydrophobicContact CD2-CD1 4.34Å; L13-I110 HydrophobicContact CD2-CG2 4.08Å; L78-I110 HydrophobicContact CD1-CD1 3.56Å; L78-I110 HydrophobicContact CG-CD1 4.09Å; I81-I110 HydrophobicContact CB-CD1 3.91Å; I81-I110 HydrophobicContact CG2-CD1 3.77Å; I81-I110 HydrophobicContact CG2-CG1 4.27Å; S106-I110 WeakPolarHBondContact O-CG1 3.44Å; S106-I110 PolarHBondContact O-N 3.33Å; L107-I110 PolarHBondContact O-N 3.25Å; L107-I110 VanDerWaalsContact O-N 3.1Å; A108-I110 PolarHBondContact O-N 3.31Å; I110-Q112 PolarHBondContact O-N 2.78Å; I110-H113 WeakPolarHBondContact O-CB 3.25Å; I110-H113 PolarHBondContact O-N 2.92Å; I110-F114 HydrophobicContact CG2-CD2 3.83Å; I110-F114 HydrophobicContact CG2-CE2 3.85Å; I110-F114 VanDerWaalsContact O-CD2 3.24Å; I110-F114 WeakPolarHBondContact O-CD2 3.3Å; I110-F114 PolarHBondContact O-N 2.95Å
111L98Very high96.7Very high0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-63.7-41.2179.3-74.3170.5000112.4L89 L107 A108 H113 F114 H115 I121 A130 L131 A134 F143L89-L111 HydrophobicContact CD2-CD2 3.42Å; L89-L111 VanDerWaalsContact CD2-CD2 3.42Å; L89-L111 HydrophobicContact CD2-CG 4.32Å; L107-L111 HydrophobicContact CD1-CD1 4.43Å; L107-L111 HydrophobicContact CD1-CG 4.25Å; L107-L111 HydrophobicContact CD2-CD1 4.33Å; L107-L111 HydrophobicContact CG-CD1 3.86Å; L107-L111 HydrophobicContact CG-CG 4.17Å; L107-L111 WeakPolarHBondContact O-CG 3.27Å; L107-L111 PolarHBondContact O-N 3.11Å; A108-L111 PolarHBondContact O-N 3.34Å; L111-H113 PolarHBondContact O-N 2.95Å; L111-F114 PolarHBondContact O-N 3.14Å; L111-H115 VanDerWaalsContact O-CB 3.3Å; L111-H115 WeakPolarHBondContact O-CB 3.39Å; L111-H115 PolarHBondContact O-N 2.88Å; L111-I121 HydrophobicContact CD2-CD1 4.05Å; L111-I121 HydrophobicContact CD2-CG2 4.28Å; L111-A130 WeakPolarHBondContact CD1-O 3.43Å; L111-L131 HydrophobicContact CD1-CD2 4.3Å; L111-L131 HydrophobicContact CD2-CD2 3.77Å; L111-A134 HydrophobicContact CB-CB 3.69Å; L111-A134 HydrophobicContact CD1-CB 3.87Å; L111-A134 HydrophobicContact CG-CB 4.45Å; L111-F143 HydrophobicContact CD2-CZ 4.34Å
112Q96.6Very high96.7Very high68 Ų6840.1 Ų40.132%0.31823%0.226SC..Hα-helixtrans-58.3-46.6172.9-74.4167.5-25.800111.4A108 I110 H115 S116 T135 V142A108-Q112 WeakPolarHBondContact O-CB 3.3Å; A108-Q112 VanDerWaalsContact O-CG 3.23Å; A108-Q112 WeakPolarHBondContact O-CG 3.39Å; A108-Q112 PolarHBondContact O-N 2.95Å; I110-Q112 PolarHBondContact O-N 2.78Å; Q112-H115 PolarHBondContact O-N 2.81Å; Q112-S116 WeakPolarHBondContact O-CB 3.37Å; Q112-S116 PolarHBondContact O-N 3Å; Q112-S116 PolarHBondContact O-OG 2.94Å; Q112-T135 PolarHBondContact NE2-O 3.39Å; Q112-V142 HydrophobicContact CG-CG2 3.88Å
113H96.3Very high96.8Very high55 Ų5539.4 Ų39.426%0.25522%0.22SC..Hα-helixtrans-59-50.3176.2-176.582.2000111.1R109 I110 L111 H115 S116 E117R109-H113 PolarHBondContact O-N 2.87Å; I110-H113 WeakPolarHBondContact O-CB 3.25Å; I110-H113 PolarHBondContact O-N 2.92Å; L111-H113 PolarHBondContact O-N 2.95Å; H113-H115 VanDerWaalsContact C-N 3.3Å; H113-H115 PolarHBondContact O-N 3.37Å; H113-S116 PolarHBondContact O-N 3.27Å; H113-S116 PolarHBondContact O-OG 2.98Å; H113-E117 WeakPolarHBondContact O-CB 3.4Å; H113-E117 PolarHBondContact O-N 2.67Å
114F97.5Very high97Very high0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-59-42.5178.1-90.6-107.5000112L89 I110 L111 S118 K119 I121L89-F114 HydrophobicContact CB-CD1 3.77Å; L89-F114 HydrophobicContact CB-CE1 3.5Å; L89-F114 VanDerWaalsContact CB-CE1 3.5Å; L89-F114 HydrophobicContact CB-CE2 4.49Å; L89-F114 HydrophobicContact CB-CG 4.41Å; L89-F114 HydrophobicContact CB-CZ 3.85Å; L89-F114 VanDerWaalsContact N-CE1 3.33Å; I110-F114 HydrophobicContact CG2-CD2 3.83Å; I110-F114 HydrophobicContact CG2-CE2 3.85Å; I110-F114 VanDerWaalsContact O-CD2 3.24Å; I110-F114 WeakPolarHBondContact O-CD2 3.3Å; I110-F114 PolarHBondContact O-N 2.95Å; L111-F114 PolarHBondContact O-N 3.14Å; F114-S118 CarbonylContact O-C 3.59Å; F114-S118 WeakPolarHBondContact O-CA 3.48Å; F114-S118 PolarHBondContact O-N 3.41Å; F114-K119 HydrophobicContact CB-CB 4.27Å; F114-K119 HydrophobicContact CD1-CB 3.35Å; F114-K119 HydrophobicContact CD1-CD 4.2Å; F114-K119 HydrophobicContact CD1-CG 4.43Å; F114-K119 HydrophobicContact CE1-CB 3.81Å; F114-K119 HydrophobicContact CE1-CD 4.19Å; F114-K119 HydrophobicContact CG-CB 3.98Å; F114-K119 HydrophobicContact CG-CD 4.39Å; F114-K119 HydrophobicContact CZ-CD 4.45Å; F114-K119 PolarHBondContact O-N 2.92Å; F114-I121 HydrophobicContact CB-CD1 3.8Å; F114-I121 HydrophobicContact CB-CG1 3.92Å; F114-I121 HydrophobicContact CD1-CG1 3.96Å; F114-I121 HydrophobicContact CG-CG1 4.31Å
115H97.3Very high97.1Very high49 Ų4934.2 Ų34.223%0.22718%0.183CC..Hα-helixtrans-64.3-47.4177.3-177.995.5000112.3L111 Q112 H113 E117 S118 V142 Y146 H195L111-H115 VanDerWaalsContact O-CB 3.3Å; L111-H115 WeakPolarHBondContact O-CB 3.39Å; L111-H115 PolarHBondContact O-N 2.88Å; Q112-H115 PolarHBondContact O-N 2.81Å; H113-H115 VanDerWaalsContact C-N 3.3Å; H113-H115 PolarHBondContact O-N 3.37Å; H115-E117 VanDerWaalsContact C-N 3.31Å; H115-E117 PolarHBondContact O-N 3.34Å; H115-S118 WeakPolarHBondContact O-CA 3.39Å; H115-S118 PolarHBondContact O-N 3.03Å; H115-V142 HydrophobicContact CB-CG1 3.53Å; H115-V142 PolarHBondContact CE1-O 2.81Å; H115-V142 WeakPolarHBondContact ND1-CG1 3.21Å; H115-Y146 AromaticContact CE1-CE2 3.55Å; H115-Y146 AromaticContact CE1-CZ 3.7Å; H115-Y146 PolarHBondContact CE1-OH 3.39Å; H115-Y146 VanDerWaalsContact CE1-OH 3.3Å; H115-H195 AromaticContact ND1-NE2 3.89Å
116S95.8Very high97.2Very high80 Ų8034.4 Ų34.456%0.55917%0.172SC*.Hα-helixtrans-61.5-39.1-179.267.60000112.8Q112 H113 S118Q112-S116 WeakPolarHBondContact O-CB 3.37Å; Q112-S116 PolarHBondContact O-N 3Å; Q112-S116 PolarHBondContact O-OG 2.94Å; H113-S116 PolarHBondContact O-N 3.27Å; H113-S116 PolarHBondContact O-OG 2.98Å; S116-S118 PolarHBondContact O-N 3.1Å
117E96.3Very high97.3Very high116 Ų11633.2 Ų33.254%0.54216%0.164SC..THydrogen-bonded Turntrans-85.95176.3-65.6-64.2138.900112.4H113 H115 K119H113-E117 WeakPolarHBondContact O-CB 3.4Å; H113-E117 PolarHBondContact O-N 2.67Å; H115-E117 VanDerWaalsContact C-N 3.31Å; H115-E117 PolarHBondContact O-N 3.34Å; E117-K119 HydrophobicContact CB-CD 4.13Å; E117-K119 HydrophobicContact CB-CG 3.8Å; E117-K119 PolarHBondContact O-N 2.88Å
118S96.8Very high97.3Very high57 Ų5733.3 Ų33.340%0.39917%0.165SC..THydrogen-bonded Turntrans4929.8-173-64.20000113.3F114 H115 S116 H195 R219F114-S118 CarbonylContact O-C 3.59Å; F114-S118 WeakPolarHBondContact O-CA 3.48Å; F114-S118 PolarHBondContact O-N 3.41Å; H115-S118 WeakPolarHBondContact O-CA 3.39Å; H115-S118 PolarHBondContact O-N 3.03Å; S116-S118 PolarHBondContact O-N 3.1Å; S118-H195 VanDerWaalsContact O-CB 3.24Å; S118-H195 WeakPolarHBondContact O-CB 3.45Å; S118-R219 PolarHBondContact O-NH1 3.27Å; S118-R219 PolarHBondContact O-NH2 3.28Å
119K96.7Very high97.3Very high30 Ų3032.8 Ų32.813%0.1316%0.161CC..  trans-70.1143.3-177.9-70.9178.1178.2-167.30111.3G83 A84 Y86 F114 E117 I121 H195G83-K119 PolarHBondContact O-NZ 3.43Å; G83-K119 VanDerWaalsContact O-NZ 3.08Å; A84-K119 PolarHBondContact O-NZ 3.15Å; Y86-K119 WeakPolarHBondContact O-CD 3.31Å; Y86-K119 WeakPolarHBondContact O-CE 3.22Å; Y86-K119 PolarHBondContact O-NZ 2.9Å; F114-K119 HydrophobicContact CB-CB 4.27Å; F114-K119 HydrophobicContact CD1-CB 3.35Å; F114-K119 HydrophobicContact CD1-CD 4.2Å; F114-K119 HydrophobicContact CD1-CG 4.43Å; F114-K119 HydrophobicContact CE1-CB 3.81Å; F114-K119 HydrophobicContact CE1-CD 4.19Å; F114-K119 HydrophobicContact CG-CB 3.98Å; F114-K119 HydrophobicContact CG-CD 4.39Å; F114-K119 HydrophobicContact CZ-CD 4.45Å; F114-K119 PolarHBondContact O-N 2.92Å; E117-K119 HydrophobicContact CB-CD 4.13Å; E117-K119 HydrophobicContact CB-CG 3.8Å; E117-K119 PolarHBondContact O-N 2.88Å; K119-I121 PolarHBondContact O-N 3.1Å; K119-H195 PolarHBondContact O-CD2 2.96Å
120P98.1Very high97.4Very high2 Ų224.5 Ų24.51%0.01313%0.129CC..  trans-59.1131.1-178.9-28.238.9000113.8H87 A88 L89 H195 L212 L215H87-P120 WeakPolarHBondContact O-CD 3.38Å; A88-P120 WeakPolarHBondContact CA-O 3.31Å; L89-P120 PolarHBondContact N-O 3.46Å; P120-H195 CarbonylContact C-O 3.42Å; P120-H195 VanDerWaalsContact CA-O 3.31Å; P120-H195 WeakPolarHBondContact CA-O 3.45Å; P120-L212 HydrophobicContact CB-CD1 3.59Å; P120-L215 HydrophobicContact CB-CB 4.47Å; P120-L215 HydrophobicContact CB-CD1 4.35Å; P120-L215 HydrophobicContact CG-CB 4.34Å
121I98.6Very high97.5Very high0 Ų024.1 Ų24.10%013%0.128CC..EExtended strand (participates in β ladder)trans-122132175.7-58.5168.5000107.7L89 L111 F114 K119 L131 F143 H195 L196 V197L89-I121 HydrophobicContact CB-CG1 4.35Å; L89-I121 HydrophobicContact CD2-CG1 4.36Å; L89-I121 HydrophobicContact CD2-CG2 4.09Å; L89-I121 HydrophobicContact CG-CG2 4.48Å; L89-I121 CarbonylContact O-C 3.24Å; L89-I121 WeakPolarHBondContact O-CA 3.41Å; L111-I121 HydrophobicContact CD2-CD1 4.05Å; L111-I121 HydrophobicContact CD2-CG2 4.28Å; F114-I121 HydrophobicContact CB-CD1 3.8Å; F114-I121 HydrophobicContact CB-CG1 3.92Å; F114-I121 HydrophobicContact CD1-CG1 3.96Å; F114-I121 HydrophobicContact CG-CG1 4.31Å; K119-I121 PolarHBondContact O-N 3.1Å; I121-L131 HydrophobicContact CG2-CD2 3.98Å; I121-F143 HydrophobicContact CD1-CE1 3.97Å; I121-F143 HydrophobicContact CD1-CZ 3.73Å; I121-H195 PolarHBondContact N-O 3.03Å; I121-L196 HydrophobicContact CB-CD1 3.9Å; I121-L196 HydrophobicContact CG2-CD1 3.74Å; I121-L196 CarbonylContact O-C 3.59Å; I121-V197 PolarHBondContact O-N 2.97Å
122C98.7Very high97.4Very high0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-127.8125.3173.3-177.50000110.2L89 L90 I91 V197 L212L89-C122 PolarHBondContact O-N 3.36Å; L90-C122 CarbonylContact C-O 3.59Å; L90-C122 WeakPolarHBondContact CA-O 3.36Å; L90-C122 HydrophobicContact CD1-CB 3.68Å; I91-C122 PolarHBondContact N-O 3.06Å; C122-V197 CarbonylContact C-O 3.56Å; C122-V197 VanDerWaalsContact CA-O 3.24Å; C122-V197 WeakPolarHBondContact CA-O 3.31Å; C122-V197 HydrophobicContact CB-CB 4.19Å; C122-L212 HydrophobicContact CB-CB 3.95Å; C122-L212 HydrophobicContact CB-CD1 3.98Å; C122-L212 HydrophobicContact CB-CD2 3.75Å; C122-L212 HydrophobicContact CB-CG 4.09Å
123A98.6Very high97.4Very high0 Ų022.1 Ų22.10%012%0.121CC..EExtended strand (participates in β ladder)trans-131139.5175.300000111.1I91 V128 L131 V197 T198 G199I91-A123 HydrophobicContact CB-CB 4.13Å; I91-A123 WeakPolarHBondContact O-CA 3.38Å; A123-V128 HydrophobicContact CB-CG2 4.01Å; A123-L131 HydrophobicContact CB-CD1 4.24Å; A123-L131 HydrophobicContact CB-CD2 4.47Å; A123-L131 HydrophobicContact CB-CG 4.32Å; A123-V197 PolarHBondContact N-O 3.5Å; A123-T198 CarbonylContact O-C 3.6Å; A123-T198 WeakPolarHBondContact O-CA 3.23Å; A123-G199 PolarHBondContact O-N 3.11Å
124V98.4Very high97.4Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-129.4140.5-175.5-175.60000110.6I91 P92 S93 H126 G127 N201 A208I91-V124 PolarHBondContact O-N 3.39Å; P92-V124 CarbonylContact C-O 3.56Å; S93-V124 WeakPolarHBondContact CA-O 3.09Å; S93-V124 PolarHBondContact N-O 3.12Å; V124-H126 PolarHBondContact O-N 3.26Å; V124-G127 WeakPolarHBondContact O-CA 3.2Å; V124-G127 PolarHBondContact O-N 2.92Å; V124-N201 WeakPolarHBondContact CG1-O 3.48Å; V124-A208 HydrophobicContact CG2-CB 3.75Å
125G97.1Very high97.2Very high1 Ų122.5 Ų22.51%0.0113%0.127CC..G310 helixtrans55.6-135.117400000112G127 V128 P151 G199 Q200G125-G127 PolarHBondContact O-N 3.37Å; G125-V128 WeakPolarHBondContact O-CB 3.45Å; G125-V128 VanDerWaalsContact O-CG2 3.3Å; G125-V128 WeakPolarHBondContact O-CG2 3.4Å; G125-V128 PolarHBondContact O-N 3.28Å; G125-P151 WeakPolarHBondContact O-CD 3.48Å; G125-G199 PolarHBondContact N-O 3.09Å; G125-Q200 WeakPolarHBondContact CA-O 3.2Å
126H96.8Very high96.8Very high48 Ų4823.2 Ų23.222%0.22213%0.133CC..G310 helixtrans-62.4-17.9178.8-71.689.2000113.3S93 C94 A97 V124 V128 A129 L156S93-H126 PolarHBondContact OG-N 2.93Å; C94-H126 WeakPolarHBondContact O-CB 3.4Å; A97-H126 WeakPolarHBondContact CB-O 3.49Å; V124-H126 PolarHBondContact O-N 3.26Å; H126-V128 PolarHBondContact O-N 3.12Å; H126-A129 VanDerWaalsContact O-CB 3.24Å; H126-A129 WeakPolarHBondContact O-CB 3.33Å; H126-A129 PolarHBondContact O-N 3.06Å; H126-A129 VanDerWaalsContact O-N 3.12Å; H126-L156 WeakPolarHBondContact NE2-CD2 3.41Å
127G97.3Very high96.4Very high0 Ų029 Ų290%015%0.151CC..G310 helixtrans-62.7-21.6172.100000113.7P92 V124 G125 A129 A130P92-G127 WeakPolarHBondContact O-CA 3.43Å; V124-G127 WeakPolarHBondContact O-CA 3.2Å; V124-G127 PolarHBondContact O-N 2.92Å; G125-G127 PolarHBondContact O-N 3.37Å; G127-A129 PolarHBondContact O-N 3.29Å; G127-A130 WeakPolarHBondContact O-CB 3.39Å; G127-A130 PolarHBondContact O-N 3.12Å
128V98.2Very high96.1Very high1 Ų129.1 Ų29.11%0.00616%0.155CC..G310 helixtrans-63.6-27.3174.7-177.10000111.4A123 G125 H126 A130 L131 L148 T149 V169 T198A123-V128 HydrophobicContact CB-CG2 4.01Å; G125-V128 WeakPolarHBondContact O-CB 3.45Å; G125-V128 VanDerWaalsContact O-CG2 3.3Å; G125-V128 WeakPolarHBondContact O-CG2 3.4Å; G125-V128 PolarHBondContact O-N 3.28Å; H126-V128 PolarHBondContact O-N 3.12Å; V128-A130 PolarHBondContact O-N 3.3Å; V128-A130 VanDerWaalsContact O-N 3.11Å; V128-L131 HydrophobicContact CG1-CD1 4.07Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 WeakPolarHBondContact O-CG 3.43Å; V128-L131 PolarHBondContact O-N 2.82Å; V128-L148 HydrophobicContact CG1-CD1 3.86Å; V128-T149 WeakPolarHBondContact CG1-O 3.34Å; V128-V169 HydrophobicContact CB-CG1 4.31Å; V128-V169 HydrophobicContact CG1-CG1 3.71Å; V128-T198 HydrophobicContact CG1-CG2 4.39Å; V128-T198 HydrophobicContact CG2-CG2 4.39Å
129A97.9Very high95.7Very high0 Ų037 Ų370%018%0.176CC..G310 helixtrans-57.8-27.7173.800000112.5A97 L98 A102 H126 G127 L131 C132 L167 V169A97-A129 HydrophobicContact CB-CB 4.34Å; L98-A129 HydrophobicContact CD2-CB 3.62Å; L98-A129 HydrophobicContact CG-CB 4.09Å; A102-A129 WeakPolarHBondContact CA-O 3.4Å; A102-A129 HydrophobicContact CB-CB 4.32Å; A102-A129 WeakPolarHBondContact CB-O 3.42Å; H126-A129 VanDerWaalsContact O-CB 3.24Å; H126-A129 WeakPolarHBondContact O-CB 3.33Å; H126-A129 PolarHBondContact O-N 3.06Å; H126-A129 VanDerWaalsContact O-N 3.12Å; G127-A129 PolarHBondContact O-N 3.29Å; A129-L131 PolarHBondContact O-N 3.24Å; A129-C132 VanDerWaalsContact O-CB 3.26Å; A129-C132 WeakPolarHBondContact O-CB 3.41Å; A129-C132 PolarHBondContact O-N 3.14Å; A129-C132 PolarHBondContact O-SG 2.92Å; A129-C132 VanDerWaalsContact O-SG 3.37Å; A129-L167 HydrophobicContact CB-CD2 4.39Å; A129-V169 HydrophobicContact CB-CG2 3.75Å
130A97.8Very high95.6Very high0 Ų037.3 Ų37.30%018%0.182CC..G310 helixtrans-63.2-22.5177.400000113I91 L101 L107 L111 G127 V128 C132 C133I91-A130 HydrophobicContact CD1-CB 3.78Å; I91-A130 HydrophobicContact CG2-CB 4.2Å; L101-A130 HydrophobicContact CB-CB 3.72Å; L101-A130 HydrophobicContact CD1-CB 3.98Å; L101-A130 HydrophobicContact CG-CB 4.5Å; L107-A130 HydrophobicContact CD2-CB 3.65Å; L107-A130 WeakPolarHBondContact CD2-O 3.24Å; L111-A130 WeakPolarHBondContact CD1-O 3.43Å; G127-A130 WeakPolarHBondContact O-CB 3.39Å; G127-A130 PolarHBondContact O-N 3.12Å; V128-A130 PolarHBondContact O-N 3.3Å; V128-A130 VanDerWaalsContact O-N 3.11Å; A130-C132 VanDerWaalsContact C-N 3.25Å; A130-C132 PolarHBondContact O-N 3.31Å; A130-C133 PolarHBondContact O-SG 3.15Å
131L97.9Very high95.5Very high0 Ų037.8 Ų37.80%018%0.184CC..G310 helixtrans-72.1-20.4176-56.7179.5000112.7L111 I121 A123 V128 A129 C133 A134 W141 F143 L148 L196 T198L111-L131 HydrophobicContact CD1-CD2 4.3Å; L111-L131 HydrophobicContact CD2-CD2 3.77Å; I121-L131 HydrophobicContact CG2-CD2 3.98Å; A123-L131 HydrophobicContact CB-CD1 4.24Å; A123-L131 HydrophobicContact CB-CD2 4.47Å; A123-L131 HydrophobicContact CB-CG 4.32Å; V128-L131 HydrophobicContact CG1-CD1 4.07Å; V128-L131 WeakPolarHBondContact O-CB 3.49Å; V128-L131 WeakPolarHBondContact O-CG 3.43Å; V128-L131 PolarHBondContact O-N 2.82Å; A129-L131 PolarHBondContact O-N 3.24Å; L131-C133 PolarHBondContact O-N 2.9Å; L131-A134 PolarHBondContact O-N 3.01Å; L131-W141 HydrophobicContact CB-CZ2 4.03Å; L131-W141 PolarHBondContact O-NE1 3.09Å; L131-F143 HydrophobicContact CB-CD2 4.23Å; L131-F143 HydrophobicContact CB-CE2 4.05Å; L131-F143 HydrophobicContact CD2-CE2 4Å; L131-F143 HydrophobicContact CD2-CZ 4.16Å; L131-F143 HydrophobicContact CG-CE2 4.48Å; L131-L148 HydrophobicContact CD1-CD1 4.47Å; L131-L196 HydrophobicContact CD1-CD1 3.89Å; L131-L196 HydrophobicContact CD1-CD2 4.37Å; L131-L196 HydrophobicContact CD2-CD1 4.42Å; L131-T198 HydrophobicContact CD1-CG2 4.02Å
132C97Very high95.4Very high10 Ų1038 Ų387%0.06819%0.186CC..G310 helixtrans-71.9-18.3-172.4-560000112.9A129 A130 A134 L167 F172A129-C132 VanDerWaalsContact O-CB 3.26Å; A129-C132 WeakPolarHBondContact O-CB 3.41Å; A129-C132 PolarHBondContact O-N 3.14Å; A129-C132 PolarHBondContact O-SG 2.92Å; A129-C132 VanDerWaalsContact O-SG 3.37Å; A130-C132 VanDerWaalsContact C-N 3.25Å; A130-C132 PolarHBondContact O-N 3.31Å; C132-A134 VanDerWaalsContact C-N 3.31Å; C132-A134 PolarHBondContact O-N 3.3Å; C132-L167 HydrophobicContact CB-CD2 3.83Å; C132-F172 HydrophobicContact CB-CD1 3.91Å; C132-F172 HydrophobicContact CB-CE1 3.56Å; C132-F172 HydrophobicContact CB-CE2 4.23Å; C132-F172 HydrophobicContact CB-CG 4.4Å; C132-F172 HydrophobicContact CB-CZ 3.73Å; C132-F172 WeakPolarHBondContact SG-CD1 3.45Å
133C96.4Very high95.4Very high16 Ų1638 Ų3811%0.10819%0.186CC..G310 helixtrans-75.3-17.3179.467.30000114A102 A108 A130 L131 T135A102-C133 VanDerWaalsContact O-CA 3.3Å; A102-C133 WeakPolarHBondContact O-CA 3.42Å; A102-C133 VanDerWaalsContact O-CB 3.23Å; A102-C133 WeakPolarHBondContact O-CB 3.34Å; A102-C133 PolarHBondContact O-N 2.8Å; A108-C133 HydrophobicContact CB-CB 4.36Å; A108-C133 VanDerWaalsContact CB-O 3.23Å; A108-C133 WeakPolarHBondContact CB-O 3.34Å; A108-C133 PolarHBondContact N-SG 2.95Å; A130-C133 PolarHBondContact O-SG 3.15Å; L131-C133 PolarHBondContact O-N 2.9Å; C133-T135 PolarHBondContact O-N 2.92Å
134A95.6Very high95.3Very high0 Ų043.5 Ų43.50%021%0.211CC..  trans-87.198.9-170.800000111.9L111 L131 C132 V142 F143L111-A134 HydrophobicContact CB-CB 3.69Å; L111-A134 HydrophobicContact CD1-CB 3.87Å; L111-A134 HydrophobicContact CG-CB 4.45Å; L131-A134 PolarHBondContact O-N 3.01Å; C132-A134 VanDerWaalsContact C-N 3.31Å; C132-A134 PolarHBondContact O-N 3.3Å; A134-V142 HydrophobicContact CB-CB 4.01Å; A134-V142 HydrophobicContact CB-CG2 3.91Å; A134-V142 WeakPolarHBondContact O-CB 3.49Å; A134-V142 VanDerWaalsContact O-CG2 3.25Å; A134-V142 WeakPolarHBondContact O-CG2 3.4Å; A134-V142 PolarHBondContact O-N 2.81Å; A134-F143 HydrophobicContact CB-CE2 4.41Å
135T93.3Very high95.3Very high63 Ų6345.5 Ų45.539%0.38723%0.231SC..BIsolated β-bridgetrans-113.714417658.10000111.5Q112 C133 S140Q112-T135 PolarHBondContact NE2-O 3.39Å; C133-T135 PolarHBondContact O-N 2.92Å; T135-S140 CarbonylContact C-O 3.56Å; T135-S140 VanDerWaalsContact CA-O 3.28Å; T135-S140 WeakPolarHBondContact CA-O 3.45Å
136N89.7Confident95.3Very high64 Ų6445.9 Ų45.934%0.34223%0.233SC..  trans-70.2173.6171.1-66.8-43000111.8D138 R139 S140 V142N136-D138 WeakPolarHBondContact CB-OD1 3.13Å; N136-D138 PolarHBondContact O-N 2.99Å; N136-R139 WeakPolarHBondContact O-CA 3.45Å; N136-R139 PolarHBondContact O-N 3.24Å; N136-S140 WeakPolarHBondContact CB-OG 3.44Å; N136-S140 PolarHBondContact N-O 2.7Å; N136-S140 PolarHBondContact ND2-OG 3.02Å; N136-V142 WeakPolarHBondContact OD1-CG2 3.43Å
137E87.3Confident95.4Very high202 Ų20245.9 Ų45.994%0.94424%0.238SC*.THydrogen-bonded Turntrans-60.5-32.6178.2-63.9-172.6161.500113R139E137-R139 PolarHBondContact O-N 3.43Å
138D89.8Confident95.5Very high118 Ų11846 Ų4663%0.63124%0.238SC*.THydrogen-bonded Turntrans-79.15.9175.470-9.9000113.5N136 S140N136-D138 WeakPolarHBondContact CB-OD1 3.13Å; N136-D138 PolarHBondContact O-N 2.99Å; D138-S140 VanDerWaalsContact CG-OG 3.31Å; D138-S140 PolarHBondContact O-N 3.07Å; D138-S140 VanDerWaalsContact OD1-CB 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.07Å; D138-S140 PolarHBondContact OD1-N 2.98Å; D138-S140 PolarHBondContact OD1-OG 3.48Å; D138-S140 PolarHBondContact OD2-OG 3.45Å
139R89Confident95.5Very high221 Ų22145.9 Ų45.983%0.83424%0.238SC*.SBendtrans67.46-174.9-49.8178.9177.9-172.9-1.5115N136 E137N136-R139 WeakPolarHBondContact O-CA 3.45Å; N136-R139 PolarHBondContact O-N 3.24Å; E137-R139 PolarHBondContact O-N 3.43Å
140S93.2Very high95.5Very high38 Ų3845.9 Ų45.927%0.26624%0.238SC..  trans-66.5148.6169.2670000110.2T135 N136 D138T135-S140 CarbonylContact C-O 3.56Å; T135-S140 VanDerWaalsContact CA-O 3.28Å; T135-S140 WeakPolarHBondContact CA-O 3.45Å; N136-S140 WeakPolarHBondContact CB-OG 3.44Å; N136-S140 PolarHBondContact N-O 2.7Å; N136-S140 PolarHBondContact ND2-OG 3.02Å; D138-S140 VanDerWaalsContact CG-OG 3.31Å; D138-S140 PolarHBondContact O-N 3.07Å; D138-S140 VanDerWaalsContact OD1-CB 3.23Å; D138-S140 WeakPolarHBondContact OD1-CB 3.07Å; D138-S140 PolarHBondContact OD1-N 2.98Å; D138-S140 PolarHBondContact OD1-OG 3.48Å; D138-S140 PolarHBondContact OD2-OG 3.45Å
141W97.3Very high95.4Very high11 Ų1146.2 Ų46.24%0.04224%0.24CC..BIsolated β-bridgetrans-71.2137.8176.1-172.348.1000110.5L131 F143 H144 L148 F172 V173 A178L131-W141 HydrophobicContact CB-CZ2 4.03Å; L131-W141 PolarHBondContact O-NE1 3.09Å; W141-F143 HydrophobicContact CD2-CB 3.96Å; W141-F143 AromaticContact CE2-CD2 3.74Å; W141-F143 HydrophobicContact CE3-CB 3.81Å; W141-F143 HydrophobicContact CH2-CB 3.62Å; W141-F143 HydrophobicContact CH2-CD2 4.31Å; W141-F143 HydrophobicContact CH2-CG 4.36Å; W141-F143 HydrophobicContact CZ2-CB 3.76Å; W141-F143 AromaticContact CZ2-CD2 3.64Å; W141-F143 HydrophobicContact CZ2-CD2 3.64Å; W141-F143 HydrophobicContact CZ2-CG 4.12Å; W141-F143 HydrophobicContact CZ3-CB 3.64Å; W141-F143 AromaticContact NE1-CD2 3.93Å; W141-F143 PolarHBondContact O-N 2.98Å; W141-F143 VanDerWaalsContact O-N 3.16Å; W141-H144 VanDerWaalsContact O-CB 3.24Å; W141-H144 WeakPolarHBondContact O-CB 3.49Å; W141-H144 PolarHBondContact O-N 3.3Å; W141-L148 HydrophobicContact CH2-CD1 4.08Å; W141-L148 HydrophobicContact CH2-CD2 3.77Å; W141-L148 HydrophobicContact CZ3-CD2 3.95Å; W141-F172 AromaticContact CD2-CE1 3.9Å; W141-F172 HydrophobicContact CD2-CE1 3.9Å; W141-F172 AromaticContact CE2-CE1 3.69Å; W141-F172 HydrophobicContact CE3-CE1 4.45Å; W141-F172 HydrophobicContact CG-CE1 4.15Å; W141-F172 HydrophobicContact CG-CZ 4.32Å; W141-F172 HydrophobicContact CZ2-CE1 4.06Å; W141-F172 AromaticContact NE1-CE1 3.82Å; W141-V173 HydrophobicContact CH2-CG2 3.99Å; W141-V173 HydrophobicContact CZ3-CG2 4.27Å; W141-A178 HydrophobicContact CE3-CB 4.15Å; W141-A178 HydrophobicContact CZ3-CB 3.61Å
142V97.1Very high95.4Very high6 Ų646.4 Ų46.44%0.03624%0.241CC..THydrogen-bonded Turntrans-59.6-31-177.1166.50000112Q112 H115 A134 N136 H144Q112-V142 HydrophobicContact CG-CG2 3.88Å; H115-V142 HydrophobicContact CB-CG1 3.53Å; H115-V142 PolarHBondContact CE1-O 2.81Å; H115-V142 WeakPolarHBondContact ND1-CG1 3.21Å; A134-V142 HydrophobicContact CB-CB 4.01Å; A134-V142 HydrophobicContact CB-CG2 3.91Å; A134-V142 WeakPolarHBondContact O-CB 3.49Å; A134-V142 VanDerWaalsContact O-CG2 3.25Å; A134-V142 WeakPolarHBondContact O-CG2 3.4Å; A134-V142 PolarHBondContact O-N 2.81Å; N136-V142 WeakPolarHBondContact OD1-CG2 3.43Å; V142-H144 VanDerWaalsContact C-N 3.35Å
143F97.7Very high95.4Very high0 Ų047.8 Ų47.80%025%0.249CC..THydrogen-bonded Turntrans-97.923.3179-56.2-77.3000112.8L111 I121 L131 A134 W141 G145 Y146 L196L111-F143 HydrophobicContact CD2-CZ 4.34Å; I121-F143 HydrophobicContact CD1-CE1 3.97Å; I121-F143 HydrophobicContact CD1-CZ 3.73Å; L131-F143 HydrophobicContact CB-CD2 4.23Å; L131-F143 HydrophobicContact CB-CE2 4.05Å; L131-F143 HydrophobicContact CD2-CE2 4Å; L131-F143 HydrophobicContact CD2-CZ 4.16Å; L131-F143 HydrophobicContact CG-CE2 4.48Å; A134-F143 HydrophobicContact CB-CE2 4.41Å; W141-F143 HydrophobicContact CD2-CB 3.96Å; W141-F143 AromaticContact CE2-CD2 3.74Å; W141-F143 HydrophobicContact CE3-CB 3.81Å; W141-F143 HydrophobicContact CH2-CB 3.62Å; W141-F143 HydrophobicContact CH2-CD2 4.31Å; W141-F143 HydrophobicContact CH2-CG 4.36Å; W141-F143 HydrophobicContact CZ2-CB 3.76Å; W141-F143 AromaticContact CZ2-CD2 3.64Å; W141-F143 HydrophobicContact CZ2-CD2 3.64Å; W141-F143 HydrophobicContact CZ2-CG 4.12Å; W141-F143 HydrophobicContact CZ3-CB 3.64Å; W141-F143 AromaticContact NE1-CD2 3.93Å; W141-F143 PolarHBondContact O-N 2.98Å; W141-F143 VanDerWaalsContact O-N 3.16Å; F143-G145 PolarHBondContact O-N 3.01Å; F143-Y146 HydrophobicContact CB-CD2 4.06Å; F143-Y146 HydrophobicContact CB-CG 4.11Å; F143-Y146 HydrophobicContact CD1-CD1 4.21Å; F143-Y146 HydrophobicContact CD1-CD2 4.3Å; F143-Y146 HydrophobicContact CD1-CE1 4.31Å; F143-Y146 HydrophobicContact CD1-CE2 4.41Å; F143-Y146 HydrophobicContact CD1-CG 4.2Å; F143-Y146 VanDerWaalsContact O-CB 3.29Å; F143-Y146 WeakPolarHBondContact O-CB 3.14Å; F143-Y146 WeakPolarHBondContact O-CD2 3.42Å; F143-Y146 PolarHBondContact O-N 3.07Å; F143-L196 HydrophobicContact CD1-CD2 3.78Å; F143-L196 HydrophobicContact CE1-CD1 4.24Å; F143-L196 HydrophobicContact CE1-CD2 4.12Å; F143-L196 HydrophobicContact CG-CD2 4.33Å
144H97Very high95.3Very high114 Ų11450.6 Ų50.653%0.52827%0.268SS..THydrogen-bonded Turntrans-53.1134.1170.6-177.578.6000111.1W141 V142 Y146 S176W141-H144 VanDerWaalsContact O-CB 3.24Å; W141-H144 WeakPolarHBondContact O-CB 3.49Å; W141-H144 PolarHBondContact O-N 3.3Å; V142-H144 VanDerWaalsContact C-N 3.35Å; H144-Y146 PolarHBondContact O-N 2.93Å; H144-S176 PolarHBondContact ND1-O 2.66Å
145G97.3Very high95.3Very high42 Ų4251.6 Ų51.643%0.43327%0.273SS..THydrogen-bonded Turntrans68.610.7-175.700000115.4F143 G177 R194F143-G145 PolarHBondContact O-N 3.01Å; G145-G177 PolarHBondContact N-O 3Å; G145-R194 PolarHBondContact O-NH2 2.96Å; G145-R194 VanDerWaalsContact O-NH2 3.15Å
146Y98.4Very high95.3Very high10 Ų1049.2 Ų49.24%0.03926%0.258CS..  trans-81.7153168.9-79.8-113.2000111.9H115 F143 H144 A178 C179 D193 R194 H195 L196H115-Y146 AromaticContact CE1-CE2 3.55Å; H115-Y146 AromaticContact CE1-CZ 3.7Å; H115-Y146 PolarHBondContact CE1-OH 3.39Å; H115-Y146 VanDerWaalsContact CE1-OH 3.3Å; F143-Y146 HydrophobicContact CB-CD2 4.06Å; F143-Y146 HydrophobicContact CB-CG 4.11Å; F143-Y146 HydrophobicContact CD1-CD1 4.21Å; F143-Y146 HydrophobicContact CD1-CD2 4.3Å; F143-Y146 HydrophobicContact CD1-CE1 4.31Å; F143-Y146 HydrophobicContact CD1-CE2 4.41Å; F143-Y146 HydrophobicContact CD1-CG 4.2Å; F143-Y146 VanDerWaalsContact O-CB 3.29Å; F143-Y146 WeakPolarHBondContact O-CB 3.14Å; F143-Y146 WeakPolarHBondContact O-CD2 3.42Å; F143-Y146 PolarHBondContact O-N 3.07Å; H144-Y146 PolarHBondContact O-N 2.93Å; Y146-A178 CarbonylContact O-C 3.53Å; Y146-A178 WeakPolarHBondContact O-CA 3.37Å; Y146-A178 VanDerWaalsContact O-CB 3.29Å; Y146-A178 WeakPolarHBondContact O-CB 3.48Å; Y146-C179 PolarHBondContact O-N 3.12Å; Y146-D193 VanDerWaalsContact CA-OD2 3.3Å; Y146-D193 WeakPolarHBondContact CA-OD2 3.43Å; Y146-D193 HydrophobicContact CD1-CB 4.27Å; Y146-R194 VanDerWaalsContact CA-NH2 3.32Å; Y146-R194 HydrophobicContact CE1-CB 4.28Å; Y146-R194 VanDerWaalsContact CE1-CZ 3.46Å; Y146-R194 VanDerWaalsContact CZ-NH1 3.28Å; Y146-H195 PolarHBondContact OH-CE1 2.86Å; Y146-L196 HydrophobicContact CD1-CB 4.03Å; Y146-L196 HydrophobicContact CD1-CD2 3.93Å; Y146-L196 HydrophobicContact CE1-CB 4.13Å; Y146-L196 HydrophobicContact CG-CD2 4.48Å
147S98.6Very high95.6Very high48 Ų4850.8 Ų50.834%0.33627%0.265SS..EExtended strand (participates in β ladder)trans-94.6128.4162.8-58.60000109.5C179 V191 D193S147-C179 CarbonylContact C-O 3.46Å; S147-C179 VanDerWaalsContact CA-O 3.32Å; S147-C179 WeakPolarHBondContact CA-O 3.46Å; S147-V191 VanDerWaalsContact O-CG1 3.27Å; S147-V191 WeakPolarHBondContact O-CG1 3.46Å; S147-D193 PolarHBondContact N-OD2 3.08Å; S147-D193 WeakPolarHBondContact O-CB 3.35Å
148L98.4Very high95.8Very high1 Ų148.2 Ų48.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-148.3171.7175.263.6141.3000112.8V128 L131 W141 V173 A178 C179 F180 S181 L196 T198V128-L148 HydrophobicContact CG1-CD1 3.86Å; L131-L148 HydrophobicContact CD1-CD1 4.47Å; W141-L148 HydrophobicContact CH2-CD1 4.08Å; W141-L148 HydrophobicContact CH2-CD2 3.77Å; W141-L148 HydrophobicContact CZ3-CD2 3.95Å; L148-V173 HydrophobicContact CD1-CG1 4.47Å; L148-V173 HydrophobicContact CD1-CG2 3.64Å; L148-V173 HydrophobicContact CD2-CG1 3.8Å; L148-V173 HydrophobicContact CD2-CG2 4.24Å; L148-V173 HydrophobicContact CG-CG1 3.98Å; L148-V173 HydrophobicContact CG-CG2 4.07Å; L148-A178 HydrophobicContact CD2-CB 4.07Å; L148-C179 PolarHBondContact N-O 2.98Å; L148-F180 WeakPolarHBondContact O-CA 3.45Å; L148-S181 PolarHBondContact O-N 3.35Å; L148-S181 VanDerWaalsContact O-N 3.11Å; L148-L196 HydrophobicContact CB-CD2 4.33Å; L148-T198 WeakPolarHBondContact CA-OG1 3.35Å; L148-T198 HydrophobicContact CB-CG2 3.87Å; L148-T198 WeakPolarHBondContact CB-OG1 3.24Å; L148-T198 HydrophobicContact CD1-CG2 4.36Å
149T98.6Very high95.8Very high0 Ų045 Ų450%024%0.236CC..  trans-129.8165.8171.6-176.50000110.2V128 S181 H189 V191 T198 Q200V128-T149 WeakPolarHBondContact CG1-O 3.34Å; T149-S181 WeakPolarHBondContact CB-O 3.16Å; T149-S181 PolarHBondContact OG1-O 2.89Å; T149-H189 PolarHBondContact OG1-CD2 2.73Å; T149-V191 HydrophobicContact CG2-CB 4.15Å; T149-V191 HydrophobicContact CG2-CG2 3.82Å; T149-T198 VanDerWaalsContact CG2-O 3.25Å; T149-T198 WeakPolarHBondContact CG2-O 3.3Å; T149-T198 PolarHBondContact N-OG1 2.91Å; T149-T198 VanDerWaalsContact O-CB 3.27Å; T149-T198 WeakPolarHBondContact O-CB 3.12Å; T149-Q200 HydrophobicContact CG2-CB 4.36Å; T149-Q200 WeakPolarHBondContact OG1-CB 3.28Å
150G97.8Very high95.7Very high0 Ų040.6 Ų40.60%024%0.236CC..  trans-166.6-169.1169.500000108.4S152 F180 Q200G150-S152 PolarHBondContact O-N 3.3Å; G150-S152 VanDerWaalsContact O-N 3.09Å; G150-F180 VanDerWaalsContact N-CE2 3.26Å; G150-F180 WeakPolarHBondContact O-CZ 3.29Å; G150-Q200 CarbonylContact C-O 3.56Å; G150-Q200 VanDerWaalsContact C-O 3.24Å; G150-Q200 WeakPolarHBondContact O-CG 3.29Å
151P96.9Very high95.3Very high7 Ų739.7 Ų39.75%0.04523%0.234CC..SBendtrans-54.7119.5175-25.834.7000109.6G125 L156 Q200G125-P151 WeakPolarHBondContact O-CD 3.48Å; P151-L156 HydrophobicContact CB-CD1 4.27Å; P151-L156 HydrophobicContact CB-CD2 3.8Å; P151-L156 HydrophobicContact CB-CG 3.96Å; P151-Q200 WeakPolarHBondContact CA-O 3.29Å; P151-Q200 WeakPolarHBondContact CD-O 3.49Å; P151-Q200 VanDerWaalsContact N-O 3.08Å
152S97Very high95Very high4 Ų442.4 Ų42.43%0.02825%0.246CC..  trans-69.8154.9179.461.90000110.6G150 C154 E155 L156 E170G150-S152 PolarHBondContact O-N 3.3Å; G150-S152 VanDerWaalsContact O-N 3.09Å; S152-C154 PolarHBondContact O-N 3.48Å; S152-E155 PolarHBondContact N-OE2 3.06Å; S152-E155 WeakPolarHBondContact O-CB 3.38Å; S152-E155 PolarHBondContact O-N 3.26Å; S152-E155 WeakPolarHBondContact OG-CG 3.24Å; S152-E155 PolarHBondContact OG-N 3.36Å; S152-E155 VanDerWaalsContact OG-N 3.15Å; S152-E155 PolarHBondContact OG-OE2 3.03Å; S152-L156 WeakPolarHBondContact O-CG 3.43Å; S152-L156 PolarHBondContact O-N 2.98Å; S152-E170 WeakPolarHBondContact CA-OE2 3.33Å
153V96.3Very high94.7Very high38 Ų3846.9 Ų46.923%0.2328%0.283CS..Hα-helixtrans-55-40.2171.2173.70000110.2E155 L156 I157 F162 V168 E170V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.18Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-L156 VanDerWaalsContact O-N 3.12Å; V153-I157 HydrophobicContact CG1-CG2 3.89Å; V153-I157 WeakPolarHBondContact O-CG1 3.49Å; V153-I157 WeakPolarHBondContact O-CG2 3.3Å; V153-I157 PolarHBondContact O-N 3.19Å; V153-F162 HydrophobicContact CG1-CZ 4.4Å; V153-V168 HydrophobicContact CG2-CG1 3.69Å; V153-E170 HydrophobicContact CG2-CB 4.08Å; V153-E170 HydrophobicContact CG2-CG 4.22Å; V153-E170 WeakPolarHBondContact CG2-OE2 3.37Å; V153-E170 PolarHBondContact N-OE2 3.19Å
154C95.3Very high94.4Very high75 Ų7556.1 Ų56.151%0.50732%0.318SS..Hα-helixtrans-58.7-34.4176.3-65.80000113.6S152 I157 R158 P185S152-C154 PolarHBondContact O-N 3.48Å; C154-I157 WeakPolarHBondContact O-CG1 3.44Å; C154-R158 WeakPolarHBondContact O-CD 3.48Å; C154-P185 HydrophobicContact CB-CG 4.05Å
155E94.7Very high94.2Very high22 Ų2253 Ų5310%0.10331%0.305CS..Hα-helixtrans-75.3-45.6171.8-74.5163.3130.900111.4S152 V153 I157 R158 P185 D186 Q200 N201S152-E155 PolarHBondContact N-OE2 3.06Å; S152-E155 WeakPolarHBondContact O-CB 3.38Å; S152-E155 PolarHBondContact O-N 3.26Å; S152-E155 WeakPolarHBondContact OG-CG 3.24Å; S152-E155 PolarHBondContact OG-N 3.36Å; S152-E155 VanDerWaalsContact OG-N 3.15Å; S152-E155 PolarHBondContact OG-OE2 3.03Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 PolarHBondContact O-N 3.18Å; E155-I157 PolarHBondContact O-N 3.45Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 3.49Å; E155-P185 HydrophobicContact CG-CB 3.68Å; E155-P185 HydrophobicContact CG-CG 4.39Å; E155-D186 PolarHBondContact OE1-N 3.49Å; E155-Q200 PolarHBondContact OE1-NE2 3.09Å; E155-Q200 WeakPolarHBondContact OE2-CG 3.42Å; E155-Q200 PolarHBondContact OE2-NE2 3.32Å; E155-N201 WeakPolarHBondContact OE1-CB 3.3Å; E155-N201 PolarHBondContact OE1-ND2 2.76Å
156L94.1Very high94Very high13 Ų1355.5 Ų55.57%0.06831%0.314CS..Hα-helixtrans-65.7-38.1-173.4-68174.6000112.7H126 P151 S152 V153 R158 A159 F162 L165 V168H126-L156 WeakPolarHBondContact NE2-CD2 3.41Å; P151-L156 HydrophobicContact CB-CD1 4.27Å; P151-L156 HydrophobicContact CB-CD2 3.8Å; P151-L156 HydrophobicContact CB-CG 3.96Å; S152-L156 WeakPolarHBondContact O-CG 3.43Å; S152-L156 PolarHBondContact O-N 2.98Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-L156 VanDerWaalsContact O-N 3.12Å; L156-R158 PolarHBondContact O-N 2.98Å; L156-R158 VanDerWaalsContact O-N 3.15Å; L156-A159 WeakPolarHBondContact O-CB 3.16Å; L156-A159 PolarHBondContact O-N 3.5Å; L156-F162 HydrophobicContact CB-CD2 3.68Å; L156-F162 HydrophobicContact CB-CE2 3.9Å; L156-F162 WeakPolarHBondContact O-CB 3.46Å; L156-L165 HydrophobicContact CB-CD1 4.36Å; L156-L165 HydrophobicContact CD1-CD1 4.22Å; L156-L165 HydrophobicContact CD2-CD1 4.13Å; L156-L165 HydrophobicContact CG-CD1 4.49Å; L156-V168 HydrophobicContact CD1-CG1 4.26Å
157I95.4Very high93.8Very high96 Ų9657 Ų5749%0.49232%0.322SS..THydrogen-bonded Turntrans-63.4-20.6-18061.9173.8000113.6V153 C154 E155 A159 F162V153-I157 HydrophobicContact CG1-CG2 3.89Å; V153-I157 WeakPolarHBondContact O-CG1 3.49Å; V153-I157 WeakPolarHBondContact O-CG2 3.3Å; V153-I157 PolarHBondContact O-N 3.19Å; C154-I157 WeakPolarHBondContact O-CG1 3.44Å; E155-I157 PolarHBondContact O-N 3.45Å; I157-A159 VanDerWaalsContact C-N 3.26Å; I157-A159 PolarHBondContact O-N 2.96Å; I157-F162 HydrophobicContact CG2-CD1 3.98Å; I157-F162 HydrophobicContact CG2-CD2 4.16Å; I157-F162 HydrophobicContact CG2-CE1 3.74Å; I157-F162 HydrophobicContact CG2-CE2 3.92Å; I157-F162 HydrophobicContact CG2-CG 4.18Å; I157-F162 HydrophobicContact CG2-CZ 3.7Å
158R93.1Very high93.7Very high149 Ų14955.9 Ų55.956%0.56231%0.314SS*.THydrogen-bonded Turntrans-75.2-18.9177.4-64.7159.762.6-161.52.3111.8C154 E155 L156 D186C154-R158 WeakPolarHBondContact O-CD 3.48Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 3.49Å; L156-R158 PolarHBondContact O-N 2.98Å; L156-R158 VanDerWaalsContact O-N 3.15Å; R158-D186 IonicContact CZ-OD2 3.3Å; R158-D186 VanDerWaalsContact CZ-OD2 3.3Å; R158-D186 IonicContact NH1-OD1 2.92Å; R158-D186 PolarHBondContact NH1-OD1 2.97Å; R158-D186 IonicContact NH1-OD2 3.44Å; R158-D186 PolarHBondContact NH1-OD2 3.3Å; R158-D186 IonicContact NH2-OD2 2.89Å; R158-D186 PolarHBondContact NH2-OD2 2.93Å
159A88.9Confident93.6Very high49 Ų4956.2 Ų56.241%0.40532%0.315SS..SBendtrans-85.2136.7-179.900000111.2L156 I157 G161 F162L156-A159 WeakPolarHBondContact O-CB 3.16Å; L156-A159 PolarHBondContact O-N 3.5Å; I157-A159 VanDerWaalsContact C-N 3.26Å; I157-A159 PolarHBondContact O-N 2.96Å; A159-G161 PolarHBondContact O-N 3.15Å; A159-F162 PolarHBondContact O-N 2.97Å; A159-F162 VanDerWaalsContact O-N 3.11Å
160P85.9Confident93.6Very high129 Ų12957.5 Ų57.584%0.83832%0.322SS*.THydrogen-bonded Turntrans-64.7-10.4-179.627.5-36000114
161G85.8Confident93.5Very high20 Ų2060.9 Ų60.921%0.20634%0.34CS..THydrogen-bonded Turntrans-94.3-2.4178.400000115.1A159 A163 R164 L165A159-G161 PolarHBondContact O-N 3.15Å; G161-A163 VanDerWaalsContact C-N 3.35Å; G161-A163 PolarHBondContact O-N 2.83Å; G161-R164 PolarHBondContact O-N 3.34Å; G161-L165 PolarHBondContact O-N 3.04Å
162F91.6Very high93.6Very high67 Ų6763 Ų6329%0.29435%0.348SS..G310 helixtrans-49.9-50.4-171.9177.9-109.7000113.7V153 L156 I157 A159 R164 L165 V168V153-F162 HydrophobicContact CG1-CZ 4.4Å; L156-F162 HydrophobicContact CB-CD2 3.68Å; L156-F162 HydrophobicContact CB-CE2 3.9Å; L156-F162 WeakPolarHBondContact O-CB 3.46Å; I157-F162 HydrophobicContact CG2-CD1 3.98Å; I157-F162 HydrophobicContact CG2-CD2 4.16Å; I157-F162 HydrophobicContact CG2-CE1 3.74Å; I157-F162 HydrophobicContact CG2-CE2 3.92Å; I157-F162 HydrophobicContact CG2-CG 4.18Å; I157-F162 HydrophobicContact CG2-CZ 3.7Å; A159-F162 PolarHBondContact O-N 2.97Å; A159-F162 VanDerWaalsContact O-N 3.11Å; F162-R164 PolarHBondContact O-N 3.44Å; F162-L165 HydrophobicContact CD2-CD1 3.86Å; F162-L165 HydrophobicContact CE2-CD1 4.43Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 VanDerWaalsContact O-CG 3.32Å; F162-L165 WeakPolarHBondContact O-CG 3.43Å; F162-L165 PolarHBondContact O-N 3.15Å; F162-L165 VanDerWaalsContact O-N 3.08Å; F162-V168 HydrophobicContact CE2-CG2 4.26Å
163A90.9Very high93.6Very high100 Ų10062.8 Ų62.883%0.82635%0.347SS*.G310 helixtrans-66.4-9.8-176.900000114.4G161G161-A163 VanDerWaalsContact C-N 3.35Å; G161-A163 PolarHBondContact O-N 2.83Å
164R91.1Very high93.6Very high194 Ų19465.7 Ų65.773%0.73236%0.356SS*.G310 helixtrans-106.20.3178.3-60.4-169.3-59.7-85.7-1.4113G161 F162G161-R164 PolarHBondContact O-N 3.34Å; F162-R164 PolarHBondContact O-N 3.44Å
165L92.1Very high93.7Very high48 Ų4868.8 Ų68.825%0.25137%0.368SS..  trans-63.6129.9179.1-63.4175.7000109.1L98 L156 G161 F162 L167L98-L165 HydrophobicContact CD1-CD2 3.71Å; L156-L165 HydrophobicContact CB-CD1 4.36Å; L156-L165 HydrophobicContact CD1-CD1 4.22Å; L156-L165 HydrophobicContact CD2-CD1 4.13Å; L156-L165 HydrophobicContact CG-CD1 4.49Å; G161-L165 PolarHBondContact O-N 3.04Å; F162-L165 HydrophobicContact CD2-CD1 3.86Å; F162-L165 HydrophobicContact CE2-CD1 4.43Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 VanDerWaalsContact O-CG 3.32Å; F162-L165 WeakPolarHBondContact O-CG 3.43Å; F162-L165 PolarHBondContact O-N 3.15Å; F162-L165 VanDerWaalsContact O-N 3.08Å; L165-L167 PolarHBondContact O-N 3.33Å
166P93.3Very high93.8Very high96 Ų9669.1 Ų69.162%0.62337%0.373SS*.SBendtrans-72.4-17.4178.430.7-35.5000112L98L98-P166 HydrophobicContact CB-CG 3.93Å; L98-P166 WeakPolarHBondContact O-CG 3.34Å
167L94.5Very high93.9Very high40 Ų4070.2 Ų70.221%0.20939%0.387CS..  trans-153.7135-174179.571.1000109.4L98 A102 A129 C132 L165 F172L98-L167 HydrophobicContact CD2-CB 3.82Å; L98-L167 HydrophobicContact CD2-CD2 4.29Å; L98-L167 HydrophobicContact CD2-CG 4.41Å; L98-L167 WeakPolarHBondContact CD2-O 3.46Å; A102-L167 HydrophobicContact CB-CD2 4.05Å; A129-L167 HydrophobicContact CB-CD2 4.39Å; C132-L167 HydrophobicContact CB-CD2 3.83Å; L165-L167 PolarHBondContact O-N 3.33Å; L167-F172 HydrophobicContact CD1-CB 3.71Å; L167-F172 HydrophobicContact CD1-CD2 3.79Å; L167-F172 HydrophobicContact CD1-CG 3.95Å
168V96.6Very high94Very high26 Ų2666 Ų6616%0.15837%0.367CS..  trans-106.5111.6166.4178.30000107.1V153 L156 F162 E170 D171 F172V153-V168 HydrophobicContact CG2-CG1 3.69Å; L156-V168 HydrophobicContact CD1-CG1 4.26Å; F162-V168 HydrophobicContact CE2-CG2 4.26Å; V168-E170 VanDerWaalsContact C-N 3.3Å; V168-E170 HydrophobicContact CG1-CB 4.39Å; V168-E170 PolarHBondContact O-N 2.88Å; V168-D171 HydrophobicContact CB-CB 4.26Å; V168-D171 HydrophobicContact CG1-CB 4.26Å; V168-D171 WeakPolarHBondContact CG1-OD2 3.39Å; V168-D171 PolarHBondContact O-N 3.38Å; V168-F172 PolarHBondContact O-N 3.13Å
169V96.4Very high94.3Very high7 Ų762.7 Ų62.74%0.04237%0.365CS..Hα-helixtrans-60.7-41-172.9176.10000111.4V128 A129 D171 F172 V173V128-V169 HydrophobicContact CB-CG1 4.31Å; V128-V169 HydrophobicContact CG1-CG1 3.71Å; A129-V169 HydrophobicContact CB-CG2 3.75Å; V169-D171 PolarHBondContact O-N 3Å; V169-F172 PolarHBondContact O-N 3.14Å; V169-V173 HydrophobicContact CG1-CG2 4.09Å; V169-V173 WeakPolarHBondContact O-CB 3.37Å; V169-V173 WeakPolarHBondContact O-CG2 3.35Å; V169-V173 PolarHBondContact O-N 3.27Å
170E97.1Very high94.7Very high28 Ų2861.7 Ų61.713%0.13135%0.352CS..Hα-helixtrans-57-47.3177.8174.8167.1175.200112.4S152 V153 V168 K174 F180S152-E170 WeakPolarHBondContact CA-OE2 3.33Å; V153-E170 HydrophobicContact CG2-CB 4.08Å; V153-E170 HydrophobicContact CG2-CG 4.22Å; V153-E170 WeakPolarHBondContact CG2-OE2 3.37Å; V153-E170 PolarHBondContact N-OE2 3.19Å; V168-E170 VanDerWaalsContact C-N 3.3Å; V168-E170 HydrophobicContact CG1-CB 4.39Å; V168-E170 PolarHBondContact O-N 2.88Å; E170-K174 HydrophobicContact CG-CD 4.37Å; E170-K174 WeakPolarHBondContact O-CG 3.47Å; E170-K174 PolarHBondContact O-N 2.63Å; E170-K174 IonicContact OE1-NZ 2.64Å; E170-K174 PolarHBondContact OE1-NZ 3.29Å; E170-F180 HydrophobicContact CB-CD1 4.11Å; E170-F180 HydrophobicContact CB-CD2 4.19Å; E170-F180 HydrophobicContact CB-CE1 3.82Å; E170-F180 HydrophobicContact CB-CE2 3.91Å; E170-F180 HydrophobicContact CB-CG 4.27Å; E170-F180 HydrophobicContact CB-CZ 3.71Å; E170-F180 HydrophobicContact CG-CD1 3.49Å; E170-F180 VanDerWaalsContact CG-CD1 3.49Å; E170-F180 HydrophobicContact CG-CD2 4.33Å; E170-F180 HydrophobicContact CG-CE1 3.53Å; E170-F180 HydrophobicContact CG-CE2 4.36Å; E170-F180 HydrophobicContact CG-CG 3.9Å; E170-F180 HydrophobicContact CG-CZ 3.99Å; E170-F180 WeakPolarHBondContact OE2-CE1 3.48Å
171D97.3Very high95.3Very high71 Ų7158 Ų5838%0.3833%0.329SS..Hα-helixtrans-68-46.4179.6-63.7-23.3000110.6V168 V169 V173 K174 D175V168-D171 HydrophobicContact CB-CB 4.26Å; V168-D171 HydrophobicContact CG1-CB 4.26Å; V168-D171 WeakPolarHBondContact CG1-OD2 3.39Å; V168-D171 PolarHBondContact O-N 3.38Å; V169-D171 PolarHBondContact O-N 3Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 3.15Å; D171-K174 PolarHBondContact O-N 3.04Å; D171-K174 VanDerWaalsContact O-N 3.16Å; D171-D175 WeakPolarHBondContact O-CB 3.48Å; D171-D175 VanDerWaalsContact O-CG 3.3Å; D171-D175 PolarHBondContact O-N 2.92Å
172F97.3Very high95.9Very high50 Ų5059.2 Ų59.222%0.21934%0.337CS..Hα-helixtrans-56.5-42.4177.7177.3-88.6000112.8C132 W141 L167 V168 V169 S176C132-F172 HydrophobicContact CB-CD1 3.91Å; C132-F172 HydrophobicContact CB-CE1 3.56Å; C132-F172 HydrophobicContact CB-CE2 4.23Å; C132-F172 HydrophobicContact CB-CG 4.4Å; C132-F172 HydrophobicContact CB-CZ 3.73Å; C132-F172 WeakPolarHBondContact SG-CD1 3.45Å; W141-F172 AromaticContact CD2-CE1 3.9Å; W141-F172 HydrophobicContact CD2-CE1 3.9Å; W141-F172 AromaticContact CE2-CE1 3.69Å; W141-F172 HydrophobicContact CE3-CE1 4.45Å; W141-F172 HydrophobicContact CG-CE1 4.15Å; W141-F172 HydrophobicContact CG-CZ 4.32Å; W141-F172 HydrophobicContact CZ2-CE1 4.06Å; W141-F172 AromaticContact NE1-CE1 3.82Å; L167-F172 HydrophobicContact CD1-CB 3.71Å; L167-F172 HydrophobicContact CD1-CD2 3.79Å; L167-F172 HydrophobicContact CD1-CG 3.95Å; V168-F172 PolarHBondContact O-N 3.13Å; V169-F172 PolarHBondContact O-N 3.14Å; F172-S176 WeakPolarHBondContact O-CB 3.31Å; F172-S176 PolarHBondContact O-N 3.18Å; F172-S176 PolarHBondContact O-OG 3.02Å
173V97.6Very high96.1Very high0 Ų058.4 Ų58.40%034%0.34CS..Hα-helixtrans-63.3-46179167.60000110.7W141 L148 V169 D171 S176 G177 A178 F180W141-V173 HydrophobicContact CH2-CG2 3.99Å; W141-V173 HydrophobicContact CZ3-CG2 4.27Å; L148-V173 HydrophobicContact CD1-CG1 4.47Å; L148-V173 HydrophobicContact CD1-CG2 3.64Å; L148-V173 HydrophobicContact CD2-CG1 3.8Å; L148-V173 HydrophobicContact CD2-CG2 4.24Å; L148-V173 HydrophobicContact CG-CG1 3.98Å; L148-V173 HydrophobicContact CG-CG2 4.07Å; V169-V173 HydrophobicContact CG1-CG2 4.09Å; V169-V173 WeakPolarHBondContact O-CB 3.37Å; V169-V173 WeakPolarHBondContact O-CG2 3.35Å; V169-V173 PolarHBondContact O-N 3.27Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 3.15Å; V173-S176 PolarHBondContact O-N 2.8Å; V173-G177 PolarHBondContact O-N 3.07Å; V173-A178 HydrophobicContact CG1-CB 3.71Å; V173-A178 WeakPolarHBondContact O-CB 3.13Å; V173-A178 PolarHBondContact O-N 2.97Å; V173-F180 HydrophobicContact CB-CB 4.34Å; V173-F180 HydrophobicContact CB-CD2 4.26Å; V173-F180 HydrophobicContact CG1-CB 3.8Å; V173-F180 HydrophobicContact CG1-CD2 4.24Å; V173-F180 HydrophobicContact CG2-CD2 4.43Å
174K96.8Very high96.4Very high99 Ų9960.9 Ų60.943%0.4333%0.334SS..Hα-helixtrans-64.5-46.5178.5-68.4170.9-172.5170.60111.2E170 D171 S176 G177 F180E170-K174 HydrophobicContact CG-CD 4.37Å; E170-K174 WeakPolarHBondContact O-CG 3.47Å; E170-K174 PolarHBondContact O-N 2.63Å; E170-K174 IonicContact OE1-NZ 2.64Å; E170-K174 PolarHBondContact OE1-NZ 3.29Å; D171-K174 PolarHBondContact O-N 3.04Å; D171-K174 VanDerWaalsContact O-N 3.16Å; K174-S176 VanDerWaalsContact C-N 3.27Å; K174-S176 PolarHBondContact O-N 2.91Å; K174-G177 PolarHBondContact O-N 3.23Å; K174-G177 VanDerWaalsContact O-N 3.16Å; K174-F180 HydrophobicContact CG-CB 4.18Å
175D97.1Very high96.5Very high141 Ų14153.7 Ų53.775%0.75431%0.313SS*.Hα-helixtrans-66-30.3-179.7-70.3-13.5000112.3D171 G177D171-D175 WeakPolarHBondContact O-CB 3.48Å; D171-D175 VanDerWaalsContact O-CG 3.3Å; D171-D175 PolarHBondContact O-N 2.92Å; D175-G177 PolarHBondContact O-N 3.27Å
176S96.6Very high96.6Very high29 Ų2955.6 Ų55.620%0.20332%0.323CS..THydrogen-bonded Turntrans-83.55.9177.8-58.50000113.8H144 F172 V173 K174H144-S176 PolarHBondContact ND1-O 2.66Å; F172-S176 WeakPolarHBondContact O-CB 3.31Å; F172-S176 PolarHBondContact O-N 3.18Å; F172-S176 PolarHBondContact O-OG 3.02Å; V173-S176 PolarHBondContact O-N 2.8Å; K174-S176 VanDerWaalsContact C-N 3.27Å; K174-S176 PolarHBondContact O-N 2.91Å
177G96.4Very high96.8Very high36 Ų3652.8 Ų52.837%0.37131%0.308SS..THydrogen-bonded Turntrans76.929.5175.900000114.4G145 V173 K174 D175G145-G177 PolarHBondContact N-O 3Å; V173-G177 PolarHBondContact O-N 3.07Å; K174-G177 PolarHBondContact O-N 3.23Å; K174-G177 VanDerWaalsContact O-N 3.16Å; D175-G177 PolarHBondContact O-N 3.27Å
178A97.9Very high96.9Very high8 Ų855 Ų557%0.06632%0.323CS..  trans-111.2162.6171.900000111.1W141 Y146 L148 V173W141-A178 HydrophobicContact CE3-CB 4.15Å; W141-A178 HydrophobicContact CZ3-CB 3.61Å; Y146-A178 CarbonylContact O-C 3.53Å; Y146-A178 WeakPolarHBondContact O-CA 3.37Å; Y146-A178 VanDerWaalsContact O-CB 3.29Å; Y146-A178 WeakPolarHBondContact O-CB 3.48Å; L148-A178 HydrophobicContact CD2-CB 4.07Å; V173-A178 HydrophobicContact CG1-CB 3.71Å; V173-A178 WeakPolarHBondContact O-CB 3.13Å; V173-A178 PolarHBondContact O-N 2.97Å
179C98.3Very high97Very high78 Ų7855.4 Ų55.453%0.52732%0.323SS..EExtended strand (participates in β ladder)trans-94.9111.9-178.2-66.80000110.1Y146 S147 L148Y146-C179 PolarHBondContact O-N 3.12Å; S147-C179 CarbonylContact C-O 3.46Å; S147-C179 VanDerWaalsContact CA-O 3.32Å; S147-C179 WeakPolarHBondContact CA-O 3.46Å; L148-C179 PolarHBondContact N-O 2.98Å
180F98.5Very high97.1Very high29 Ų2957 Ų5713%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-91.1135.8171.7-170.5-91.8000110.9L148 G150 E170 V173 K174 A182L148-F180 WeakPolarHBondContact O-CA 3.45Å; G150-F180 VanDerWaalsContact N-CE2 3.26Å; G150-F180 WeakPolarHBondContact O-CZ 3.29Å; E170-F180 HydrophobicContact CB-CD1 4.11Å; E170-F180 HydrophobicContact CB-CD2 4.19Å; E170-F180 HydrophobicContact CB-CE1 3.82Å; E170-F180 HydrophobicContact CB-CE2 3.91Å; E170-F180 HydrophobicContact CB-CG 4.27Å; E170-F180 HydrophobicContact CB-CZ 3.71Å; E170-F180 HydrophobicContact CG-CD1 3.49Å; E170-F180 VanDerWaalsContact CG-CD1 3.49Å; E170-F180 HydrophobicContact CG-CD2 4.33Å; E170-F180 HydrophobicContact CG-CE1 3.53Å; E170-F180 HydrophobicContact CG-CE2 4.36Å; E170-F180 HydrophobicContact CG-CG 3.9Å; E170-F180 HydrophobicContact CG-CZ 3.99Å; E170-F180 WeakPolarHBondContact OE2-CE1 3.48Å; V173-F180 HydrophobicContact CB-CB 4.34Å; V173-F180 HydrophobicContact CB-CD2 4.26Å; V173-F180 HydrophobicContact CG1-CB 3.8Å; V173-F180 HydrophobicContact CG1-CD2 4.24Å; V173-F180 HydrophobicContact CG2-CD2 4.43Å; K174-F180 HydrophobicContact CG-CB 4.18Å; F180-A182 HydrophobicContact CE1-CB 3.76Å; F180-A182 HydrophobicContact CZ-CB 4.42Å
181S98.1Very high97.2Very high50 Ų5056.4 Ų56.435%0.3533%0.331SS..  trans-133.3146.3169.365.70000110.4L148 T149 H189 V191L148-S181 PolarHBondContact O-N 3.35Å; L148-S181 VanDerWaalsContact O-N 3.11Å; T149-S181 WeakPolarHBondContact CB-O 3.16Å; T149-S181 PolarHBondContact OG1-O 2.89Å; S181-H189 PolarHBondContact O-CD2 2.75Å; S181-H189 PolarHBondContact O-NE2 3.44Å; S181-H189 PolarHBondContact OG-NE2 2.86Å; S181-V191 VanDerWaalsContact OG-CG2 3.3Å; S181-V191 WeakPolarHBondContact OG-CG2 3.39Å
182A97.6Very high97.3Very high46 Ų4656.6 Ų56.638%0.3833%0.332SS..  trans-141.8152.1175.900000110.2F180F180-A182 HydrophobicContact CE1-CB 3.76Å; F180-A182 HydrophobicContact CZ-CB 4.42Å
183S97Very high97.3Very high50 Ų5055.7 Ų55.735%0.3533%0.329SS..  trans-95.1-178.5165.6-680000110.6H189 Q200S183-H189 PolarHBondContact OG-ND1 3.37Å; S183-Q200 PolarHBondContact O-NE2 2.83Å; S183-Q200 VanDerWaalsContact O-NE2 3.11Å
184E96.3Very high97.3Very high152 Ų15261.9 Ų61.971%0.7135%0.352SS*.SBendtrans-47.7145.9171.4-64.9-59.9150.900111.9D186 A187E184-D186 PolarHBondContact O-N 2.95Å; E184-A187 HydrophobicContact CB-CB 4.26Å; E184-A187 WeakPolarHBondContact O-CB 3.41Å; E184-A187 PolarHBondContact O-N 3.39Å; E184-A187 VanDerWaalsContact O-N 3.09Å
185P94.9Very high97.3Very high44 Ų4457.4 Ų57.429%0.28633%0.333SS..THydrogen-bonded Turntrans-50.8139.9178.4-28.235.7000112.7C154 E155 A187C154-P185 HydrophobicContact CB-CG 4.05Å; E155-P185 HydrophobicContact CG-CB 3.68Å; E155-P185 HydrophobicContact CG-CG 4.39Å; P185-A187 PolarHBondContact O-N 2.93Å
186D93.1Very high97.4Very high88 Ų8850.7 Ų50.747%0.47130%0.297SS..THydrogen-bonded Turntrans67.2-7.7-179.8-48.1-50.6000115.4E155 R158 E184 N201 S203E155-D186 PolarHBondContact OE1-N 3.49Å; R158-D186 IonicContact CZ-OD2 3.3Å; R158-D186 VanDerWaalsContact CZ-OD2 3.3Å; R158-D186 IonicContact NH1-OD1 2.92Å; R158-D186 PolarHBondContact NH1-OD1 2.97Å; R158-D186 IonicContact NH1-OD2 3.44Å; R158-D186 PolarHBondContact NH1-OD2 3.3Å; R158-D186 IonicContact NH2-OD2 2.89Å; R158-D186 PolarHBondContact NH2-OD2 2.93Å; E184-D186 PolarHBondContact O-N 2.95Å; D186-N201 WeakPolarHBondContact CA-ND2 3.39Å; D186-S203 WeakPolarHBondContact O-CB 3.24Å; D186-S203 PolarHBondContact O-OG 3.41Å
187A96.9Very high97.5Very high36 Ų3649.3 Ų49.330%0.29829%0.287SS..SBendtrans-71.7156.7175.800000111.9E184 P185 H189 N201E184-A187 HydrophobicContact CB-CB 4.26Å; E184-A187 WeakPolarHBondContact O-CB 3.41Å; E184-A187 PolarHBondContact O-N 3.39Å; E184-A187 VanDerWaalsContact O-N 3.09Å; P185-A187 PolarHBondContact O-N 2.93Å; A187-H189 PolarHBondContact O-N 3.4Å; A187-N201 PolarHBondContact O-ND2 3.4Å; A187-N201 PolarHBondContact O-OD1 3.08Å
188V97.9Very high97.6Very high86 Ų8647.6 Ų47.652%0.52127%0.27SS..  trans-72.2121.8173.9174.80000109.4P207V188-P207 HydrophobicContact CG1-CB 4.48Å; V188-P207 HydrophobicContact CG1-CG 3.59Å
189H98.4Very high97.6Very high36 Ų3647.2 Ų47.217%0.16727%0.266CS..  trans-144.5123.6173-17063.4000110.3T149 S181 S183 A187 Q200 S204T149-H189 PolarHBondContact OG1-CD2 2.73Å; S181-H189 PolarHBondContact O-CD2 2.75Å; S181-H189 PolarHBondContact O-NE2 3.44Å; S181-H189 PolarHBondContact OG-NE2 2.86Å; S183-H189 PolarHBondContact OG-ND1 3.37Å; A187-H189 PolarHBondContact O-N 3.4Å; H189-Q200 HydrophobicContact CB-CB 3.86Å; H189-Q200 PolarHBondContact CD2-OE1 3.43Å; H189-Q200 PolarHBondContact O-N 3.29Å; H189-S204 PolarHBondContact N-OG 3.49Å; H189-S204 WeakPolarHBondContact O-CB 3.22Å; H189-S204 PolarHBondContact O-OG 2.83Å; H189-S204 VanDerWaalsContact O-OG 3.14Å
190V98.6Very high97.6Very high39 Ų3943.5 Ų43.524%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-131.6131.7-178.81770000108.3V197 T198 P207 A208V190-V197 HydrophobicContact CG1-CG1 3.89Å; V190-T198 CarbonylContact C-O 3.55Å; V190-T198 VanDerWaalsContact CA-O 3.29Å; V190-T198 WeakPolarHBondContact CA-O 3.08Å; V190-T198 WeakPolarHBondContact CG1-O 3.36Å; V190-P207 HydrophobicContact CG2-CB 4Å; V190-P207 HydrophobicContact CG2-CG 3.87Å; V190-A208 HydrophobicContact CG1-CB 4.32Å; V190-A208 HydrophobicContact CG2-CB 4.17Å
191V98.7Very high97.5Very high17 Ų1742.9 Ų42.910%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-113.2124.9173.8179.70000108.4S147 T149 S181 V197 T198S147-V191 VanDerWaalsContact O-CG1 3.27Å; S147-V191 WeakPolarHBondContact O-CG1 3.46Å; T149-V191 HydrophobicContact CG2-CB 4.15Å; T149-V191 HydrophobicContact CG2-CG2 3.82Å; S181-V191 VanDerWaalsContact OG-CG2 3.3Å; S181-V191 WeakPolarHBondContact OG-CG2 3.39Å; V191-V197 CarbonylContact O-C 3.6Å; V191-V197 WeakPolarHBondContact O-CA 3.32Å; V191-T198 PolarHBondContact N-O 2.8Å; V191-T198 PolarHBondContact O-N 3.18Å; V191-T198 PolarHBondContact O-OG1 3.35Å
192L98.4Very high97.2Very high75 Ų7542.9 Ų42.939%0.39324%0.243SC..EExtended strand (participates in β ladder)trans-111.3116.6170.3168.165.3000108.1L196 V197 L215L192-L196 WeakPolarHBondContact CA-O 3.41Å; L192-V197 HydrophobicContact CD1-CG2 3.59Å; L192-L215 HydrophobicContact CD1-CD1 3.53Å; L192-L215 HydrophobicContact CD1-CD2 3.93Å; L192-L215 HydrophobicContact CD1-CG 3.96Å; L192-L215 HydrophobicContact CD2-CD2 4.33Å
193D98.3Very high97.1Very high30 Ų3043.8 Ų43.816%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-129116.7172.2-178.4-2.5000109.3Y146 S147 H195 L196Y146-D193 VanDerWaalsContact CA-OD2 3.3Å; Y146-D193 WeakPolarHBondContact CA-OD2 3.43Å; Y146-D193 HydrophobicContact CD1-CB 4.27Å; S147-D193 PolarHBondContact N-OD2 3.08Å; S147-D193 WeakPolarHBondContact O-CB 3.35Å; D193-H195 PolarHBondContact O-N 3.49Å; D193-L196 PolarHBondContact N-O 3.24Å; D193-L196 PolarHBondContact O-N 3.11Å
194R97.1Very high97.1Very high131 Ų13141.4 Ų41.449%0.49423%0.229SC..THydrogen-bonded Turntrans54.1-103.9-176.7-68.3159.8-83.6-170.9-9.8111.7G145 Y146G145-R194 PolarHBondContact O-NH2 2.96Å; G145-R194 VanDerWaalsContact O-NH2 3.15Å; Y146-R194 VanDerWaalsContact CA-NH2 3.32Å; Y146-R194 HydrophobicContact CE1-CB 4.28Å; Y146-R194 VanDerWaalsContact CE1-CZ 3.46Å; Y146-R194 VanDerWaalsContact CZ-NH1 3.28Å
195H97.4Very high97.2Very high4 Ų434.2 Ų34.22%0.01920%0.196CC..THydrogen-bonded Turntrans-111.15.6-179.562.6-90.6000112.7H115 S118 K119 P120 I121 Y146 D193H115-H195 AromaticContact ND1-NE2 3.89Å; S118-H195 VanDerWaalsContact O-CB 3.24Å; S118-H195 WeakPolarHBondContact O-CB 3.45Å; K119-H195 PolarHBondContact O-CD2 2.96Å; P120-H195 CarbonylContact C-O 3.42Å; P120-H195 VanDerWaalsContact CA-O 3.31Å; P120-H195 WeakPolarHBondContact CA-O 3.45Å; I121-H195 PolarHBondContact N-O 3.03Å; Y146-H195 PolarHBondContact OH-CE1 2.86Å; D193-H195 PolarHBondContact O-N 3.49Å
196L98.6Very high97.3Very high1 Ų134.4 Ų34.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-104122.6178179.765.4000110.1I121 L131 F143 Y146 L148 L192 D193 T198I121-L196 HydrophobicContact CB-CD1 3.9Å; I121-L196 HydrophobicContact CG2-CD1 3.74Å; I121-L196 CarbonylContact O-C 3.59Å; L131-L196 HydrophobicContact CD1-CD1 3.89Å; L131-L196 HydrophobicContact CD1-CD2 4.37Å; L131-L196 HydrophobicContact CD2-CD1 4.42Å; F143-L196 HydrophobicContact CD1-CD2 3.78Å; F143-L196 HydrophobicContact CE1-CD1 4.24Å; F143-L196 HydrophobicContact CE1-CD2 4.12Å; F143-L196 HydrophobicContact CG-CD2 4.33Å; Y146-L196 HydrophobicContact CD1-CB 4.03Å; Y146-L196 HydrophobicContact CD1-CD2 3.93Å; Y146-L196 HydrophobicContact CE1-CB 4.13Å; Y146-L196 HydrophobicContact CG-CD2 4.48Å; L148-L196 HydrophobicContact CB-CD2 4.33Å; L192-L196 WeakPolarHBondContact CA-O 3.41Å; D193-L196 PolarHBondContact N-O 3.24Å; D193-L196 PolarHBondContact O-N 3.11Å; L196-T198 HydrophobicContact CD1-CG2 4.13Å; L196-T198 HydrophobicContact CD2-CG2 4.31Å; L196-T198 HydrophobicContact CG-CG2 4.08Å
197V98.8Very high97.6Very high0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-109129.5169.6-176.10000108.3I121 C122 A123 V190 V191 L192 A208 N211 L215I121-V197 PolarHBondContact O-N 2.97Å; C122-V197 CarbonylContact C-O 3.56Å; C122-V197 VanDerWaalsContact CA-O 3.24Å; C122-V197 WeakPolarHBondContact CA-O 3.31Å; C122-V197 HydrophobicContact CB-CB 4.19Å; A123-V197 PolarHBondContact N-O 3.5Å; V190-V197 HydrophobicContact CG1-CG1 3.89Å; V191-V197 CarbonylContact O-C 3.6Å; V191-V197 WeakPolarHBondContact O-CA 3.32Å; L192-V197 HydrophobicContact CD1-CG2 3.59Å; V197-A208 HydrophobicContact CG1-CB 4.05Å; V197-N211 HydrophobicContact CG1-CB 4Å; V197-N211 HydrophobicContact CG2-CB 4.12Å; V197-L215 HydrophobicContact CG2-CD1 3.59Å
198T98.8Very high97.6Very high0 Ų029.8 Ų29.80%017%0.168CC..EExtended strand (participates in β ladder)trans-129.4141.5173.352.20000111.4A123 V128 L131 L148 T149 V190 V191 L196A123-T198 CarbonylContact O-C 3.6Å; A123-T198 WeakPolarHBondContact O-CA 3.23Å; V128-T198 HydrophobicContact CG1-CG2 4.39Å; V128-T198 HydrophobicContact CG2-CG2 4.39Å; L131-T198 HydrophobicContact CD1-CG2 4.02Å; L148-T198 WeakPolarHBondContact CA-OG1 3.35Å; L148-T198 HydrophobicContact CB-CG2 3.87Å; L148-T198 WeakPolarHBondContact CB-OG1 3.24Å; L148-T198 HydrophobicContact CD1-CG2 4.36Å; T149-T198 VanDerWaalsContact CG2-O 3.25Å; T149-T198 WeakPolarHBondContact CG2-O 3.3Å; T149-T198 PolarHBondContact N-OG1 2.91Å; T149-T198 VanDerWaalsContact O-CB 3.27Å; T149-T198 WeakPolarHBondContact O-CB 3.12Å; V190-T198 CarbonylContact C-O 3.55Å; V190-T198 VanDerWaalsContact CA-O 3.29Å; V190-T198 WeakPolarHBondContact CA-O 3.08Å; V190-T198 WeakPolarHBondContact CG1-O 3.36Å; V191-T198 PolarHBondContact N-O 2.8Å; V191-T198 PolarHBondContact O-N 3.18Å; V191-T198 PolarHBondContact O-OG1 3.35Å; L196-T198 HydrophobicContact CD1-CG2 4.13Å; L196-T198 HydrophobicContact CD2-CG2 4.31Å; L196-T198 HydrophobicContact CG-CG2 4.08Å
199G98.5Very high97.6Very high0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-119.5135.4175.900000111.2A123 G125A123-G199 PolarHBondContact O-N 3.11Å; G125-G199 PolarHBondContact N-O 3.09Å
200Q98.2Very high97.6Very high0 Ų029.1 Ų29.10%016%0.159CC..SBendtrans-61.1-48.6-174.6175.6164.4-20.500112.9G125 T149 G150 P151 E155 S183 H189G125-Q200 WeakPolarHBondContact CA-O 3.2Å; T149-Q200 HydrophobicContact CG2-CB 4.36Å; T149-Q200 WeakPolarHBondContact OG1-CB 3.28Å; G150-Q200 CarbonylContact C-O 3.56Å; G150-Q200 VanDerWaalsContact C-O 3.24Å; G150-Q200 WeakPolarHBondContact O-CG 3.29Å; P151-Q200 WeakPolarHBondContact CA-O 3.29Å; P151-Q200 WeakPolarHBondContact CD-O 3.49Å; P151-Q200 VanDerWaalsContact N-O 3.08Å; E155-Q200 PolarHBondContact OE1-NE2 3.09Å; E155-Q200 WeakPolarHBondContact OE2-CG 3.42Å; E155-Q200 PolarHBondContact OE2-NE2 3.32Å; S183-Q200 PolarHBondContact O-NE2 2.83Å; S183-Q200 VanDerWaalsContact O-NE2 3.11Å; H189-Q200 HydrophobicContact CB-CB 3.86Å; H189-Q200 PolarHBondContact CD2-OE1 3.43Å; H189-Q200 PolarHBondContact O-N 3.29Å
201N95.6Very high97.5Very high15 Ų1529.7 Ų29.78%0.0816%0.161CC..SBendtrans-149.1-174-168.75534.7000111.7V124 E155 D186 A187 S203 S204V124-N201 WeakPolarHBondContact CG1-O 3.48Å; E155-N201 WeakPolarHBondContact OE1-CB 3.3Å; E155-N201 PolarHBondContact OE1-ND2 2.76Å; D186-N201 WeakPolarHBondContact CA-ND2 3.39Å; A187-N201 PolarHBondContact O-ND2 3.4Å; A187-N201 PolarHBondContact O-OD1 3.08Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.08Å; N201-S203 WeakPolarHBondContact OD1-CB 3.28Å; N201-S203 PolarHBondContact OD1-N 2.9Å; N201-S204 WeakPolarHBondContact O-CA 3.22Å; N201-S204 VanDerWaalsContact O-CB 3.31Å; N201-S204 WeakPolarHBondContact O-CB 3.39Å; N201-S204 PolarHBondContact O-N 2.88Å; N201-S204 PolarHBondContact OD1-N 3.17Å; N201-S204 PolarHBondContact OD1-OG 3.42Å
202A91.9Very high97.5Very high51 Ų5128.9 Ų28.942%0.42116%0.156SC..G310 helixtrans-58.9-40.3-178.500000112.8S204 T205A202-S204 PolarHBondContact O-N 2.81Å; A202-T205 VanDerWaalsContact O-CB 3.3Å; A202-T205 WeakPolarHBondContact O-CB 3.3Å; A202-T205 PolarHBondContact O-N 3.3Å; A202-T205 PolarHBondContact O-OG1 3.2Å
203S95.3Very high97.3Very high64 Ų6427.4 Ų27.445%0.44815%0.148SC..G310 helixtrans-57.8-29.6175.4-52.20000112.2D186 N201 T205D186-S203 WeakPolarHBondContact O-CB 3.24Å; D186-S203 PolarHBondContact O-OG 3.41Å; N201-S203 VanDerWaalsContact C-N 3.32Å; N201-S203 PolarHBondContact O-N 3.08Å; N201-S203 WeakPolarHBondContact OD1-CB 3.28Å; N201-S203 PolarHBondContact OD1-N 2.9Å; S203-T205 VanDerWaalsContact C-N 3.32Å; S203-T205 PolarHBondContact O-N 3.28Å
204S97.8Very high97.1Very high0 Ų032.9 Ų32.90%017%0.171CC..G310 helixtrans-82.4-5-179.6-51.80000113.8H189 N201 A202 P207 A208H189-S204 PolarHBondContact N-OG 3.49Å; H189-S204 WeakPolarHBondContact O-CB 3.22Å; H189-S204 PolarHBondContact O-OG 2.83Å; H189-S204 VanDerWaalsContact O-OG 3.14Å; N201-S204 WeakPolarHBondContact O-CA 3.22Å; N201-S204 VanDerWaalsContact O-CB 3.31Å; N201-S204 WeakPolarHBondContact O-CB 3.39Å; N201-S204 PolarHBondContact O-N 2.88Å; N201-S204 PolarHBondContact OD1-N 3.17Å; N201-S204 PolarHBondContact OD1-OG 3.42Å; A202-S204 PolarHBondContact O-N 2.81Å; S204-P207 WeakPolarHBondContact O-CD 3.4Å; S204-P207 WeakPolarHBondContact O-CG 3.29Å; S204-A208 VanDerWaalsContact O-CB 3.22Å; S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.05Å
205T97.6Very high96.9Very high1 Ų127.8 Ų27.81%0.00615%0.153CC..Hα-helixtrans-60.2-52.8-175.9-53.50000112.3S27 H30 C31 A202 S203 A208 V209S27-T205 WeakPolarHBondContact OG-CG2 3.4Å; S27-T205 PolarHBondContact OG-OG1 2.96Å; S27-T205 VanDerWaalsContact OG-OG1 3.06Å; H30-T205 HydrophobicContact CB-CG2 3.85Å; C31-T205 VanDerWaalsContact SG-CG2 3.6Å; A202-T205 VanDerWaalsContact O-CB 3.3Å; A202-T205 WeakPolarHBondContact O-CB 3.3Å; A202-T205 PolarHBondContact O-N 3.3Å; A202-T205 PolarHBondContact O-OG1 3.2Å; S203-T205 VanDerWaalsContact C-N 3.32Å; S203-T205 PolarHBondContact O-N 3.28Å; T205-A208 PolarHBondContact O-N 3.29Å; T205-V209 HydrophobicContact CG2-CG2 4.37Å; T205-V209 VanDerWaalsContact O-CG2 3.31Å; T205-V209 WeakPolarHBondContact O-CG2 3.37Å; T205-V209 PolarHBondContact O-N 3.29Å
206V97.9Very high96.5Very high49 Ų4929 Ų2930%0.29716%0.162SC..Hα-helixtrans-58.9-54-177.5174.30000111.7H30 M34 A208 V209 Q210H30-V206 HydrophobicContact CB-CG2 4.36Å; M34-V206 HydrophobicContact CE-CG1 4.12Å; M34-V206 HydrophobicContact SD-CB 4.43Å; M34-V206 HydrophobicContact SD-CG1 4.11Å; M34-V206 HydrophobicContact SD-CG2 4.32Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.46Å; V206-V209 PolarHBondContact O-N 2.99Å; V206-Q210 WeakPolarHBondContact O-CG 3.37Å; V206-Q210 PolarHBondContact O-N 2.98Å
207P98.1Very high95.7Very high27 Ų2731.2 Ų31.218%0.17519%0.185CC..Hα-helixtrans-65.6-31.8179.422.7-31.8000113.3V188 V190 S204 Q210 N211V188-P207 HydrophobicContact CG1-CB 4.48Å; V188-P207 HydrophobicContact CG1-CG 3.59Å; V190-P207 HydrophobicContact CG2-CB 4Å; V190-P207 HydrophobicContact CG2-CG 3.87Å; S204-P207 WeakPolarHBondContact O-CD 3.4Å; S204-P207 WeakPolarHBondContact O-CG 3.29Å; P207-Q210 PolarHBondContact O-N 3.33Å; P207-N211 PolarHBondContact O-N 3.28Å; P207-N211 PolarHBondContact O-ND2 3.13Å
208A98.1Very high94.4Very high0 Ų035 Ų350%021%0.212CC..Hα-helixtrans-63.4-46.6173.900000111.4V124 V190 V197 S204 T205 V206 Q210 N211 L212V124-A208 HydrophobicContact CG2-CB 3.75Å; V190-A208 HydrophobicContact CG1-CB 4.32Å; V190-A208 HydrophobicContact CG2-CB 4.17Å; V197-A208 HydrophobicContact CG1-CB 4.05Å; S204-A208 VanDerWaalsContact O-CB 3.22Å; S204-A208 WeakPolarHBondContact O-CB 3.44Å; S204-A208 PolarHBondContact O-N 3.05Å; T205-A208 PolarHBondContact O-N 3.29Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 3.46Å; A208-Q210 VanDerWaalsContact C-N 3.33Å; A208-Q210 PolarHBondContact O-N 2.8Å; A208-N211 PolarHBondContact O-N 3.08Å; A208-L212 PolarHBondContact O-N 3.45Å
209V97.8Very high92.7Very high0 Ų040.8 Ų40.80%023%0.234CC..Hα-helixtrans-66.2-36178-179.50000111.3C31 M34 L90 T205 V206 N211 L212 L213C31-V209 HydrophobicContact CB-CG2 4.47Å; M34-V209 HydrophobicContact CB-CG1 3.68Å; M34-V209 HydrophobicContact CE-CB 4.16Å; M34-V209 HydrophobicContact CE-CG1 4.12Å; M34-V209 HydrophobicContact SD-CB 4.24Å; M34-V209 HydrophobicContact SD-CG1 4.27Å; L90-V209 HydrophobicContact CD1-CG2 4.14Å; L90-V209 HydrophobicContact CD2-CG2 4.42Å; T205-V209 HydrophobicContact CG2-CG2 4.37Å; T205-V209 VanDerWaalsContact O-CG2 3.31Å; T205-V209 WeakPolarHBondContact O-CG2 3.37Å; T205-V209 PolarHBondContact O-N 3.29Å; V206-V209 PolarHBondContact O-N 2.99Å; V209-N211 PolarHBondContact O-N 3.41Å; V209-L212 WeakPolarHBondContact O-CB 3.33Å; V209-L212 PolarHBondContact O-N 3.12Å; V209-L213 HydrophobicContact CG1-CG 4.42Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 3.28Å
210Q97.6Very high90.1Very high107 Ų10753.5 Ų53.550%0.529%0.289SS..Hα-helixtrans-59.7-44.5172.9-72.2173.8-29.700112.2M34 V206 P207 A208 L212 L213 F214M34-Q210 HydrophobicContact CE-CG 3.62Å; V206-Q210 WeakPolarHBondContact O-CG 3.37Å; V206-Q210 PolarHBondContact O-N 2.98Å; P207-Q210 PolarHBondContact O-N 3.33Å; A208-Q210 VanDerWaalsContact C-N 3.33Å; A208-Q210 PolarHBondContact O-N 2.8Å; Q210-L212 VanDerWaalsContact C-N 3.33Å; Q210-L212 PolarHBondContact O-N 2.89Å; Q210-L213 PolarHBondContact O-N 3.45Å; Q210-F214 PolarHBondContact O-N 3.04Å
211N97.6Very high89.7Confident52 Ų5256.2 Ų56.228%0.27830%0.303SS..Hα-helixtrans-63.1-39.4175.8-82-81.9000111.8V197 P207 A208 V209 F214 L215V197-N211 HydrophobicContact CG1-CB 4Å; V197-N211 HydrophobicContact CG2-CB 4.12Å; P207-N211 PolarHBondContact O-N 3.28Å; P207-N211 PolarHBondContact O-ND2 3.13Å; A208-N211 PolarHBondContact O-N 3.08Å; V209-N211 PolarHBondContact O-N 3.41Å; N211-F214 PolarHBondContact O-N 3.46Å; N211-L215 WeakPolarHBondContact O-CG 3.49Å; N211-L215 PolarHBondContact O-N 2.92Å
212L97.1Very high89.4Confident0 Ų058.3 Ų58.30%032%0.315CS..Hα-helixtrans-59.5-47.6172.9177.167.4000111.8A88 L90 P120 C122 A208 V209 Q210 F214 L215 C216A88-L212 HydrophobicContact CB-CD1 4.23Å; L90-L212 HydrophobicContact CB-CD2 4.15Å; L90-L212 HydrophobicContact CD1-CD2 4.09Å; L90-L212 HydrophobicContact CD2-CD2 4.33Å; L90-L212 HydrophobicContact CG-CD2 4.43Å; P120-L212 HydrophobicContact CB-CD1 3.59Å; C122-L212 HydrophobicContact CB-CB 3.95Å; C122-L212 HydrophobicContact CB-CD1 3.98Å; C122-L212 HydrophobicContact CB-CD2 3.75Å; C122-L212 HydrophobicContact CB-CG 4.09Å; A208-L212 PolarHBondContact O-N 3.45Å; V209-L212 WeakPolarHBondContact O-CB 3.33Å; V209-L212 PolarHBondContact O-N 3.12Å; Q210-L212 VanDerWaalsContact C-N 3.33Å; Q210-L212 PolarHBondContact O-N 2.89Å; L212-F214 VanDerWaalsContact C-N 3.3Å; L212-F214 PolarHBondContact O-N 3Å; L212-L215 PolarHBondContact O-N 2.82Å; L212-C216 PolarHBondContact O-N 3.3Å; L212-C216 PolarHBondContact O-SG 2.94Å; L212-C216 VanDerWaalsContact O-SG 3.33Å
213L95.6Very high89.3Confident44 Ų4458.7 Ų58.723%0.2331%0.309CS..Hα-helixtrans-61.8-40.8178.9-66.4-178.8000111.4A38 F39 V209 Q210 C216 G217A38-L213 HydrophobicContact CB-CD2 3.74Å; F39-L213 HydrophobicContact CD2-CD2 4.19Å; F39-L213 HydrophobicContact CE2-CD2 3.53Å; F39-L213 HydrophobicContact CZ-CD2 4.33Å; V209-L213 HydrophobicContact CG1-CG 4.42Å; V209-L213 WeakPolarHBondContact O-CG 3.39Å; V209-L213 PolarHBondContact O-N 3.28Å; Q210-L213 PolarHBondContact O-N 3.45Å; L213-C216 PolarHBondContact O-N 3.06Å; L213-G217 PolarHBondContact O-N 3.33Å
214F94Very high88.9Confident144 Ų14458.4 Ų58.463%0.63230%0.301SS*.Hα-helixtrans-62.2-50176-176.2-96.9000111.7Q210 N211 L212 C216 G217 S218Q210-F214 PolarHBondContact O-N 3.04Å; N211-F214 PolarHBondContact O-N 3.46Å; L212-F214 VanDerWaalsContact C-N 3.3Å; L212-F214 PolarHBondContact O-N 3Å; F214-C216 VanDerWaalsContact C-N 3.27Å; F214-C216 PolarHBondContact O-N 2.97Å; F214-G217 PolarHBondContact O-N 3.08Å; F214-S218 PolarHBondContact O-N 3.48Å; F214-S218 PolarHBondContact O-OG 3.47Å
215L92.4Very high88.4Confident25 Ų2562.1 Ų62.113%0.13132%0.32CS..Hα-helixtrans-54.7-42.5176.7-79.1-178.4000112.7P120 L192 V197 N211 L212 R219P120-L215 HydrophobicContact CB-CB 4.47Å; P120-L215 HydrophobicContact CB-CD1 4.35Å; P120-L215 HydrophobicContact CG-CB 4.34Å; L192-L215 HydrophobicContact CD1-CD1 3.53Å; L192-L215 HydrophobicContact CD1-CD2 3.93Å; L192-L215 HydrophobicContact CD1-CG 3.96Å; L192-L215 HydrophobicContact CD2-CD2 4.33Å; V197-L215 HydrophobicContact CG2-CD1 3.59Å; N211-L215 WeakPolarHBondContact O-CG 3.49Å; N211-L215 PolarHBondContact O-N 2.92Å; L212-L215 PolarHBondContact O-N 2.82Å; L215-R219 WeakPolarHBondContact O-CG 3.49Å
216C89.2Confident87.8Confident29 Ų2966.1 Ų66.120%0.19634%0.34CS..Hα-helixtrans-71.2-33.8179-69.10000112.3F39 L212 L213 F214F39-C216 HydrophobicContact CE1-CB 4.25Å; F39-C216 HydrophobicContact CZ-CB 3.72Å; L212-C216 PolarHBondContact O-N 3.3Å; L212-C216 PolarHBondContact O-SG 2.94Å; L212-C216 VanDerWaalsContact O-SG 3.33Å; L213-C216 PolarHBondContact O-N 3.06Å; F214-C216 VanDerWaalsContact C-N 3.27Å; F214-C216 PolarHBondContact O-N 2.97Å
217G82.6Confident87Confident48 Ų4867.4 Ų67.450%0.49534%0.344SS..Hα-helixtrans-72.4-28.4177.800000114.2L213 F214 R219L213-G217 PolarHBondContact O-N 3.33Å; F214-G217 PolarHBondContact O-N 3.08Å; G217-R219 VanDerWaalsContact C-N 3.33Å
218S71.7Confident86.2Confident80 Ų8070.5 Ų70.556%0.55936%0.356SS*.THydrogen-bonded Turntrans-79.3-12.4178.2-58.80000114.1F214 K220F214-S218 PolarHBondContact O-N 3.48Å; F214-S218 PolarHBondContact O-OG 3.47Å; S218-K220 PolarHBondContact O-N 3.4Å
219R61.8Low85.2Confident121 Ų12176.3 Ų76.346%0.45739%0.386SS..  trans-91.873.1177.4-69.6175.1174.4-138.2-1.9110.5S118 L215 G217S118-R219 PolarHBondContact O-NH1 3.27Å; S118-R219 PolarHBondContact O-NH2 3.28Å; L215-R219 WeakPolarHBondContact O-CG 3.49Å; G217-R219 VanDerWaalsContact C-N 3.33Å
220K45.1Very low84.1Confident266 Ų26683.3 Ų83.3100%1.15742%0.421SS*.  trans-101.40169.4-74.3-173.8-179.8179.80110.9S218S218-K220 PolarHBondContact O-N 3.4Å

Retrieved 220 of 220 residues in 85.6 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).