G4V9R2_SCHMA Loading...

Putative membrane associated progesterone receptor

AlphaFold DB , UniProt , Accession G4V9R2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 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
1M46.9Very low62.4Low251 Ų251132.5 Ų132.5100%1.23672%0.723SS**  094.50-112.5105.391.700108.4
2G55.1Low63.6Low76 Ų76128.8 Ų128.878%0.78471%0.707SS**  trans-100.1125.4-175.700000111.7
3K52.1Low64.7Low197 Ų197125.1 Ų125.186%0.85769%0.69SS**  trans22.7124.7147.9-67.8176.8175.3173.50118.7
4D67.3Low65.4Low160 Ų160120.3 Ų120.386%0.85668%0.675SS**  trans-140.288.5131-83.1-43000108.4
5G65Low66Low52 Ų52118.3 Ų118.354%0.53667%0.667SS.*PPolyproline II helixtrans-69.5148.4167.900000109.7K7G5-K7 PolarHBondContact O-N 2.81Å
6P63.3Low66.5Low87 Ų87117 Ų11757%0.56566%0.655SS**PPolyproline II helixtrans-57.1119.3-177.822.9-31.7000110.1Q8 Y11P6-Q8 PolarHBondContact O-N 3.4Å; P6-Y11 HydrophobicContact CB-CE2 4.17Å; P6-Y11 HydrophobicContact CG-CE2 4.11Å; P6-Y11 WeakPolarHBondContact CG-OH 3.45Å
7K63Low66.9Low159 Ų159115.4 Ų115.469%0.69165%0.645SS**PPolyproline II helixtrans-57.6133.5-179.1-62.9-176.2179.6179.40109.2G5 G9 N10G5-K7 PolarHBondContact O-N 2.81Å; K7-G9 PolarHBondContact O-N 2.87Å; K7-N10 PolarHBondContact O-N 3.31Å
8Q61.6Low67.3Low175 Ų175111.2 Ų111.282%0.81863%0.627SS**Hα-helixtrans-45.7-32.3179.9-85174.5-15.200114P6 N10 Y11 V12P6-Q8 PolarHBondContact O-N 3.4Å; Q8-N10 VanDerWaalsContact C-N 3.26Å; Q8-N10 PolarHBondContact O-N 3.35Å; Q8-Y11 PolarHBondContact O-N 2.9Å; Q8-V12 PolarHBondContact O-N 3.08Å
9G66.3Low67.6Low43 Ų43110.3 Ų110.344%0.44362%0.624SS.*Hα-helixtrans-57.1-32.2176.700000114.7K7 Y11 V12 V13K7-G9 PolarHBondContact O-N 2.87Å; G9-Y11 PolarHBondContact O-N 3.49Å; G9-V12 PolarHBondContact O-N 3.16Å; G9-V13 WeakPolarHBondContact O-CG2 3.39Å; G9-V13 PolarHBondContact O-N 2.84Å; G9-V13 VanDerWaalsContact O-N 3.13Å
10N73.6Confident68.2Low111 Ų111111.6 Ų111.659%0.59462%0.623SS**Hα-helixtrans-69-34-179.2-74.88000112.3K7 Q8 A14K7-N10 PolarHBondContact O-N 3.31Å; Q8-N10 VanDerWaalsContact C-N 3.26Å; Q8-N10 PolarHBondContact O-N 3.35Å; N10-A14 VanDerWaalsContact O-CB 3.23Å; N10-A14 WeakPolarHBondContact O-CB 3.23Å; N10-A14 PolarHBondContact O-N 2.92Å
11Y72.5Confident68.8Low146 Ų146109 Ų10957%0.57361%0.611SS**Hα-helixtrans-68.9-41.8176.5-67.4-80.5000111.3P6 Q8 G9 A14 V15P6-Y11 HydrophobicContact CB-CE2 4.17Å; P6-Y11 HydrophobicContact CG-CE2 4.11Å; P6-Y11 WeakPolarHBondContact CG-OH 3.45Å; Q8-Y11 PolarHBondContact O-N 2.9Å; G9-Y11 PolarHBondContact O-N 3.49Å; Y11-A14 PolarHBondContact O-N 2.92Å; Y11-V15 WeakPolarHBondContact O-CB 3.01Å; Y11-V15 WeakPolarHBondContact O-CG2 3.42Å; Y11-V15 PolarHBondContact O-N 3.42Å
12V77.2Confident70.6Confident88 Ų88101.9 Ų101.953%0.53358%0.584SS.*Hα-helixtrans-63.6-45179.8-1730000110.5Q8 G9 V15 M16Q8-V12 PolarHBondContact O-N 3.08Å; G9-V12 PolarHBondContact O-N 3.16Å; V12-V15 PolarHBondContact O-N 3.46Å; V12-M16 HydrophobicContact CG1-SD 4.31Å; V12-M16 VanDerWaalsContact O-CG 3.29Å; V12-M16 WeakPolarHBondContact O-CG 3.48Å; V12-M16 PolarHBondContact O-N 2.77Å
13V76.8Confident72.2Confident81 Ų81103.8 Ų103.849%0.49158%0.575SS.*Hα-helixtrans-65.2-45.9177.2177.50000111.3G9 V15 M16 D17G9-V13 WeakPolarHBondContact O-CG2 3.39Å; G9-V13 PolarHBondContact O-N 2.84Å; G9-V13 VanDerWaalsContact O-N 3.13Å; V13-V15 VanDerWaalsContact C-N 3.3Å; V13-V15 PolarHBondContact O-N 3.06Å; V13-M16 PolarHBondContact O-N 2.76Å; V13-M16 VanDerWaalsContact O-N 3.12Å; V13-D17 PolarHBondContact O-N 3.13Å
14A75.7Confident73.8Confident58 Ų5897.6 Ų97.648%0.47955%0.551SS.*Hα-helixtrans-60.9-38.4177.800000112.5N10 Y11 A18N10-A14 VanDerWaalsContact O-CB 3.23Å; N10-A14 WeakPolarHBondContact O-CB 3.23Å; N10-A14 PolarHBondContact O-N 2.92Å; Y11-A14 PolarHBondContact O-N 2.92Å; A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.25Å; A14-A18 PolarHBondContact O-N 3.09Å
15V73.7Confident74.8Confident90 Ų9094 Ų9455%0.54553%0.531SS..Hα-helixtrans-66.9-43.3174.3171.50000110.6Y11 V12 V13 A18 V19Y11-V15 WeakPolarHBondContact O-CB 3.01Å; Y11-V15 WeakPolarHBondContact O-CG2 3.42Å; Y11-V15 PolarHBondContact O-N 3.42Å; V12-V15 PolarHBondContact O-N 3.46Å; V13-V15 VanDerWaalsContact C-N 3.3Å; V13-V15 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 3.27Å; V15-V19 HydrophobicContact CG1-CG2 4.34Å; V15-V19 WeakPolarHBondContact O-CB 3.34Å; V15-V19 WeakPolarHBondContact O-CG2 3.22Å; V15-V19 PolarHBondContact O-N 3Å
16M73.4Confident76Confident98 Ų9895.1 Ų95.148%0.48353%0.527SS..Hα-helixtrans-63.8-41.2177.2-71.8179.778.900112.4V12 V13 V19 K20V12-M16 HydrophobicContact CG1-SD 4.31Å; V12-M16 VanDerWaalsContact O-CG 3.29Å; V12-M16 WeakPolarHBondContact O-CG 3.48Å; V12-M16 PolarHBondContact O-N 2.77Å; V13-M16 PolarHBondContact O-N 2.76Å; V13-M16 VanDerWaalsContact O-N 3.12Å; M16-V19 PolarHBondContact O-N 3.16Å; M16-K20 WeakPolarHBondContact O-CB 3.29Å; M16-K20 VanDerWaalsContact O-CG 3.25Å; M16-K20 WeakPolarHBondContact O-CG 3.37Å; M16-K20 PolarHBondContact O-N 3.16Å
17D74.8Confident77.3Confident90 Ų9095.3 Ų95.348%0.48152%0.523SS..Hα-helixtrans-67.3-41.3176.6-73.2-16.5000111V13 V19 K20 C21V13-D17 PolarHBondContact O-N 3.13Å; D17-V19 PolarHBondContact O-N 3.43Å; D17-K20 PolarHBondContact O-N 2.88Å; D17-C21 PolarHBondContact O-N 2.83Å; D17-C21 VanDerWaalsContact O-N 3.08Å; D17-C21 PolarHBondContact O-SG 3.01Å; D17-C21 VanDerWaalsContact O-SG 3.36Å
18A74.2Confident78.6Confident39 Ų3994.3 Ų94.332%0.32252%0.519SS..Hα-helixtrans-60.2-44.2172.500000111.4A14 V15 K20 C21 N24A14-A18 VanDerWaalsContact O-CB 3.24Å; A14-A18 WeakPolarHBondContact O-CB 3.25Å; A14-A18 PolarHBondContact O-N 3.09Å; V15-A18 PolarHBondContact O-N 3.27Å; A18-K20 VanDerWaalsContact C-N 3.31Å; A18-K20 PolarHBondContact O-N 2.89Å; A18-C21 WeakPolarHBondContact O-CB 3.39Å; A18-C21 PolarHBondContact O-N 2.86Å; A18-N24 VanDerWaalsContact O-CB 3.25Å; A18-N24 WeakPolarHBondContact O-CB 3.39Å; A18-N24 PolarHBondContact O-ND2 2.78Å
19V71.8Confident80.2Confident94 Ų9491.3 Ų91.357%0.5751%0.508SS*.Hα-helixtrans-68.5-30.4179.4174.90000112V15 M16 D17 C21 I25V15-V19 HydrophobicContact CG1-CG2 4.34Å; V15-V19 WeakPolarHBondContact O-CB 3.34Å; V15-V19 WeakPolarHBondContact O-CG2 3.22Å; V15-V19 PolarHBondContact O-N 3Å; M16-V19 PolarHBondContact O-N 3.16Å; D17-V19 PolarHBondContact O-N 3.43Å; V19-C21 VanDerWaalsContact C-N 3.34Å; V19-I25 VanDerWaalsContact O-CG1 3.24Å; V19-I25 WeakPolarHBondContact O-CG1 3.08Å
20K79.1Confident81.5Confident137 Ų13793 Ų9360%0.59651%0.506SS*.Hα-helixtrans-77.8-16.2175.9-72.9172.7-175175.10113.7M16 D17 A18M16-K20 WeakPolarHBondContact O-CB 3.29Å; M16-K20 VanDerWaalsContact O-CG 3.25Å; M16-K20 WeakPolarHBondContact O-CG 3.37Å; M16-K20 PolarHBondContact O-N 3.16Å; D17-K20 PolarHBondContact O-N 2.88Å; A18-K20 VanDerWaalsContact C-N 3.31Å; A18-K20 PolarHBondContact O-N 2.89Å
21C80.7Confident82.5Confident56 Ų5691.1 Ų91.138%0.37850%0.501SS..SBendtrans-61.9128175-78.20000110D17 A18 V19 I23 N24 I25D17-C21 PolarHBondContact O-N 2.83Å; D17-C21 VanDerWaalsContact O-N 3.08Å; D17-C21 PolarHBondContact O-SG 3.01Å; D17-C21 VanDerWaalsContact O-SG 3.36Å; A18-C21 WeakPolarHBondContact O-CB 3.39Å; A18-C21 PolarHBondContact O-N 2.86Å; V19-C21 VanDerWaalsContact C-N 3.34Å; C21-I23 HydrophobicContact CB-CG2 4.08Å; C21-I23 PolarHBondContact O-N 3.44Å; C21-N24 PolarHBondContact O-N 2.98Å; C21-I25 PolarHBondContact O-N 3.49Å
22P85.7Confident83.5Confident103 Ų10387.8 Ų87.867%0.66950%0.495SS*.Hα-helixtrans-58.4-27.6-176.622.7-33.8000112.5T26P22-T26 WeakPolarHBondContact O-CB 3.38Å; P22-T26 PolarHBondContact O-N 2.78Å; P22-T26 PolarHBondContact O-OG1 2.93Å
23I87.8Confident84.3Confident116 Ų11688 Ų8860%0.59549%0.493SS*.Hα-helixtrans-65.2-41.8175-164.5163.8000112.6C21 T26 L27C21-I23 HydrophobicContact CB-CG2 4.08Å; C21-I23 PolarHBondContact O-N 3.44Å; I23-T26 PolarHBondContact O-N 2.88Å; I23-L27 HydrophobicContact CG1-CD1 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.28Å; I23-L27 PolarHBondContact O-N 2.63Å
24N85.8Confident85.2Confident66 Ų6688.6 Ų88.635%0.35349%0.493SS..Hα-helixtrans-75-33.7-179.6-75.2-12.8000111.6A18 C21 T26 L27 F28A18-N24 VanDerWaalsContact O-CB 3.25Å; A18-N24 WeakPolarHBondContact O-CB 3.39Å; A18-N24 PolarHBondContact O-ND2 2.78Å; C21-N24 PolarHBondContact O-N 2.98Å; N24-T26 VanDerWaalsContact C-N 3.35Å; N24-L27 PolarHBondContact O-N 2.74Å; N24-F28 WeakPolarHBondContact O-CB 3.3Å; N24-F28 PolarHBondContact O-N 2.85Å
25I88.9Confident86.1Confident84 Ų8489.8 Ų89.843%0.43149%0.494SS..Hα-helixtrans-62.2-46.2169.8-59.1175.3000109.8V19 C21 L27 F28 L29V19-I25 VanDerWaalsContact O-CG1 3.24Å; V19-I25 WeakPolarHBondContact O-CG1 3.08Å; C21-I25 PolarHBondContact O-N 3.49Å; I25-L27 PolarHBondContact O-N 2.82Å; I25-F28 PolarHBondContact O-N 3.43Å; I25-L29 HydrophobicContact CG2-CD1 4.29Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.09Å
26T91Very high86.9Confident76 Ų7691.1 Ų91.147%0.46649%0.49SS..Hα-helixtrans-61-45.4177.1-54.60000111.2P22 I23 N24 F28 L29 I30P22-T26 WeakPolarHBondContact O-CB 3.38Å; P22-T26 PolarHBondContact O-N 2.78Å; P22-T26 PolarHBondContact O-OG1 2.93Å; I23-T26 PolarHBondContact O-N 2.88Å; N24-T26 VanDerWaalsContact C-N 3.35Å; T26-F28 PolarHBondContact O-N 2.94Å; T26-L29 PolarHBondContact O-N 2.87Å; T26-I30 HydrophobicContact CG2-CD1 3.94Å; T26-I30 WeakPolarHBondContact O-CB 3.43Å; T26-I30 VanDerWaalsContact O-CG1 3.26Å; T26-I30 WeakPolarHBondContact O-CG1 3.33Å; T26-I30 PolarHBondContact O-N 3.45Å
27L90.4Very high87.7Confident91 Ų9190 Ų9048%0.47649%0.486SS..Hα-helixtrans-63.3-39.5175.5-72.6172.8000112.3I23 N24 I25 I30 C31I23-L27 HydrophobicContact CG1-CD1 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.28Å; I23-L27 WeakPolarHBondContact O-CG 3.28Å; I23-L27 PolarHBondContact O-N 2.63Å; N24-L27 PolarHBondContact O-N 2.74Å; I25-L27 PolarHBondContact O-N 2.82Å; L27-I30 PolarHBondContact O-N 2.66Å; L27-C31 VanDerWaalsContact O-CB 3.3Å; L27-C31 WeakPolarHBondContact O-CB 3.49Å; L27-C31 PolarHBondContact O-N 3.42Å; L27-C31 PolarHBondContact O-SG 3.01Å; L27-C31 VanDerWaalsContact O-SG 3.37Å
28F90.7Very high88.4Confident139 Ų13989.9 Ų89.961%0.6149%0.492SS*.Hα-helixtrans-64.4-44.9176-178-99.7000111.5N24 I25 T26 I30 C31 V32N24-F28 WeakPolarHBondContact O-CB 3.3Å; N24-F28 PolarHBondContact O-N 2.85Å; I25-F28 PolarHBondContact O-N 3.43Å; T26-F28 PolarHBondContact O-N 2.94Å; F28-I30 PolarHBondContact O-N 3.46Å; F28-C31 PolarHBondContact O-N 2.57Å; F28-V32 HydrophobicContact CD1-CG2 4.16Å; F28-V32 HydrophobicContact CE1-CG2 3.76Å; F28-V32 HydrophobicContact CE2-CG2 4.19Å; F28-V32 HydrophobicContact CZ-CG2 3.78Å; F28-V32 WeakPolarHBondContact O-CG2 3.38Å; F28-V32 PolarHBondContact O-N 3.26Å
29L93.7Very high89.1Confident111 Ų11191.8 Ų91.858%0.58150%0.496SS*.Hα-helixtrans-62.9-41.5175.9-68.2178000111.8I25 T26 L33I25-L29 HydrophobicContact CG2-CD1 4.29Å; I25-L29 WeakPolarHBondContact O-CG 3.47Å; I25-L29 PolarHBondContact O-N 3.09Å; T26-L29 PolarHBondContact O-N 2.87Å; L29-L33 VanDerWaalsContact O-CB 3.23Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 PolarHBondContact O-N 3.4Å
30I94.7Very high89.8Confident80 Ų8092.6 Ų92.641%0.4149%0.489SS..Hα-helixtrans-63.4-46.1173.5-68.8167.9000110.3T26 L27 F28 V32 L33 L34T26-I30 HydrophobicContact CG2-CD1 3.94Å; T26-I30 WeakPolarHBondContact O-CB 3.43Å; T26-I30 VanDerWaalsContact O-CG1 3.26Å; T26-I30 WeakPolarHBondContact O-CG1 3.33Å; T26-I30 PolarHBondContact O-N 3.45Å; L27-I30 PolarHBondContact O-N 2.66Å; F28-I30 PolarHBondContact O-N 3.46Å; I30-V32 PolarHBondContact O-N 2.99Å; I30-L33 CarbonylContact O-C 3.57Å; I30-L33 PolarHBondContact O-N 3.45Å; I30-L34 HydrophobicContact CG2-CD1 3.8Å; I30-L34 HydrophobicContact CG2-CG 4.07Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.39Å
31C93.9Very high89.8Confident71 Ų7190.3 Ų90.348%0.4849%0.488SS..Hα-helixtrans-60.5-45.8177.4-81.50000112L27 F28 L33 L34 V35L27-C31 VanDerWaalsContact O-CB 3.3Å; L27-C31 WeakPolarHBondContact O-CB 3.49Å; L27-C31 PolarHBondContact O-N 3.42Å; L27-C31 PolarHBondContact O-SG 3.01Å; L27-C31 VanDerWaalsContact O-SG 3.37Å; F28-C31 PolarHBondContact O-N 2.57Å; C31-L33 VanDerWaalsContact C-N 3.33Å; C31-L33 PolarHBondContact O-N 3.3Å; C31-L34 PolarHBondContact O-N 3.42Å; C31-V35 WeakPolarHBondContact O-CB 3Å; C31-V35 VanDerWaalsContact O-CG2 3.25Å; C31-V35 WeakPolarHBondContact O-CG2 3.18Å; C31-V35 PolarHBondContact O-N 3.02Å
32V94.2Very high89.5Confident75 Ų7593.7 Ų93.746%0.45550%0.502SS..Hα-helixtrans-63.1-41.1175.7171.80000110.7F28 I30 Y36F28-V32 HydrophobicContact CD1-CG2 4.16Å; F28-V32 HydrophobicContact CE1-CG2 3.76Å; F28-V32 HydrophobicContact CE2-CG2 4.19Å; F28-V32 HydrophobicContact CZ-CG2 3.78Å; F28-V32 WeakPolarHBondContact O-CG2 3.38Å; F28-V32 PolarHBondContact O-N 3.26Å; I30-V32 PolarHBondContact O-N 2.99Å; V32-Y36 VanDerWaalsContact O-CB 3.22Å; V32-Y36 WeakPolarHBondContact O-CB 3.23Å; V32-Y36 PolarHBondContact O-N 2.88Å
33L94.4Very high88.7Confident92 Ų9294.7 Ų94.748%0.48250%0.501SS..Hα-helixtrans-63.9-45.3175.2-174.3121000111.2L29 I30 C31 Y36 L37L29-L33 VanDerWaalsContact O-CB 3.23Å; L29-L33 WeakPolarHBondContact O-CB 3.31Å; L29-L33 PolarHBondContact O-N 3.4Å; I30-L33 CarbonylContact O-C 3.57Å; I30-L33 PolarHBondContact O-N 3.45Å; C31-L33 VanDerWaalsContact C-N 3.33Å; C31-L33 PolarHBondContact O-N 3.3Å; L33-Y36 CarbonylContact O-C 3.59Å; L33-Y36 PolarHBondContact O-N 3.11Å; L33-L37 HydrophobicContact CD2-CD1 3.64Å; L33-L37 HydrophobicContact CD2-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 HydrophobicContact CG-CG 4.37Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.07Å
34L95.2Very high87.8Confident94 Ų9499.5 Ų99.549%0.49251%0.512SS..Hα-helixtrans-65.1-43177.4-70.5177.2000111.9I30 C31 Y36 L37 S38I30-L34 HydrophobicContact CG2-CD1 3.8Å; I30-L34 HydrophobicContact CG2-CG 4.07Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 3.39Å; C31-L34 PolarHBondContact O-N 3.42Å; L34-Y36 VanDerWaalsContact C-N 3.35Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-S38 WeakPolarHBondContact O-CB 3.42Å; L34-S38 PolarHBondContact O-N 2.89Å; L34-S38 PolarHBondContact O-OG 3.19Å; L34-S38 VanDerWaalsContact O-OG 3.08Å
35V93.3Very high86.4Confident83 Ų83105.5 Ų105.550%0.50354%0.535SS..Hα-helixtrans-61.4-45.1173169.30000110C31 L37 S38 L39C31-V35 WeakPolarHBondContact O-CB 3Å; C31-V35 VanDerWaalsContact O-CG2 3.25Å; C31-V35 WeakPolarHBondContact O-CG2 3.18Å; C31-V35 PolarHBondContact O-N 3.02Å; V35-L37 PolarHBondContact O-N 2.84Å; V35-S38 PolarHBondContact O-N 2.8Å; V35-L39 HydrophobicContact CG1-CD1 3.63Å; V35-L39 HydrophobicContact CG1-CG 4.21Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.49Å; V35-L39 PolarHBondContact O-N 3.47Å
36Y92Very high84.5Confident119 Ų119111 Ų11147%0.46756%0.555SS.*Hα-helixtrans-61.5-45.1175.1176.5-127.1000111.6V32 L33 L34 S38 L39 R40V32-Y36 VanDerWaalsContact O-CB 3.22Å; V32-Y36 WeakPolarHBondContact O-CB 3.23Å; V32-Y36 PolarHBondContact O-N 2.88Å; L33-Y36 CarbonylContact O-C 3.59Å; L33-Y36 PolarHBondContact O-N 3.11Å; L34-Y36 VanDerWaalsContact C-N 3.35Å; Y36-S38 VanDerWaalsContact C-N 3.33Å; Y36-S38 PolarHBondContact O-N 3.22Å; Y36-L39 CarbonylContact O-C 3.55Å; Y36-L39 PolarHBondContact O-N 2.9Å; Y36-R40 HydrophobicContact CD1-CG 4.47Å; Y36-R40 HydrophobicContact CD2-CG 4.22Å; Y36-R40 HydrophobicContact CE1-CG 4.25Å; Y36-R40 HydrophobicContact CE2-CG 3.92Å; Y36-R40 HydrophobicContact CG-CG 4.46Å; Y36-R40 WeakPolarHBondContact O-CB 3.47Å; Y36-R40 VanDerWaalsContact O-CG 3.25Å; Y36-R40 WeakPolarHBondContact O-CG 3.42Å; Y36-R40 PolarHBondContact O-N 2.94Å
37L90.2Very high82.4Confident75 Ų75117 Ų11739%0.39358%0.575SS.*Hα-helixtrans-63.3-37.3177.6-71179.1000112L33 L34 V35 R40 P41L33-L37 HydrophobicContact CD2-CD1 3.64Å; L33-L37 HydrophobicContact CD2-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.18Å; L33-L37 HydrophobicContact CG-CG 4.37Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 WeakPolarHBondContact O-CG 3.35Å; L33-L37 PolarHBondContact O-N 3.07Å; L34-L37 PolarHBondContact O-N 2.84Å; V35-L37 PolarHBondContact O-N 2.84Å; L37-R40 VanDerWaalsContact CD2-CZ 3.43Å; L37-P41 VanDerWaalsContact O-CD 3.31Å; L37-P41 WeakPolarHBondContact O-CD 3.49Å
38S88.6Confident80.6Confident86 Ų86117.1 Ų117.160%0.60158%0.583SS**Hα-helixtrans-72.5-32.8173.9-66.40000113L34 V35 Y36 P41L34-S38 WeakPolarHBondContact O-CB 3.42Å; L34-S38 PolarHBondContact O-N 2.89Å; L34-S38 PolarHBondContact O-OG 3.19Å; L34-S38 VanDerWaalsContact O-OG 3.08Å; V35-S38 PolarHBondContact O-N 2.8Å; Y36-S38 VanDerWaalsContact C-N 3.33Å; Y36-S38 PolarHBondContact O-N 3.22Å; S38-P41 WeakPolarHBondContact O-CD 3.22Å; S38-P41 WeakPolarHBondContact O-CG 3.5Å
39L88.8Confident78.6Confident79 Ų79119.8 Ų119.841%0.41460%0.598SS.*Hα-helixtrans-83.1-22176.4-69.2174.8000113.1V35 Y36 L42 L43V35-L39 HydrophobicContact CG1-CD1 3.63Å; V35-L39 HydrophobicContact CG1-CG 4.21Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.48Å; V35-L39 WeakPolarHBondContact O-CG 3.49Å; V35-L39 PolarHBondContact O-N 3.47Å; Y36-L39 CarbonylContact O-C 3.55Å; Y36-L39 PolarHBondContact O-N 2.9Å; L39-L42 HydrophobicContact CD2-CD1 4.12Å; L39-L42 CarbonylContact O-C 3.59Å; L39-L42 WeakPolarHBondContact O-CA 3.4Å; L39-L42 WeakPolarHBondContact O-CB 3.47Å; L39-L42 PolarHBondContact O-N 3.42Å; L39-L43 HydrophobicContact CB-CD1 4.21Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.93Å
40R86.1Confident76.9Confident111 Ų111118.3 Ų118.342%0.41959%0.587SS.*Hα-helixtrans-50.2-47.1177.2-88.7-179.9-166.6-165.48.7113.9Y36 L37 L42 L43 R44Y36-R40 HydrophobicContact CD1-CG 4.47Å; Y36-R40 HydrophobicContact CD2-CG 4.22Å; Y36-R40 HydrophobicContact CE1-CG 4.25Å; Y36-R40 HydrophobicContact CE2-CG 3.92Å; Y36-R40 HydrophobicContact CG-CG 4.46Å; Y36-R40 WeakPolarHBondContact O-CB 3.47Å; Y36-R40 VanDerWaalsContact O-CG 3.25Å; Y36-R40 WeakPolarHBondContact O-CG 3.42Å; Y36-R40 PolarHBondContact O-N 2.94Å; L37-R40 VanDerWaalsContact CD2-CZ 3.43Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 3.11Å; R40-L43 PolarHBondContact O-N 2.78Å; R40-R44 WeakPolarHBondContact O-CB 3.43Å; R40-R44 PolarHBondContact O-N 3.27Å
41P79.1Confident75.3Confident89 Ų89120.6 Ų120.658%0.57861%0.608SS**Hα-helixtrans-63.9-32.5176.823.1-33.5000112.7L37 S38L37-P41 VanDerWaalsContact O-CD 3.31Å; L37-P41 WeakPolarHBondContact O-CD 3.49Å; S38-P41 WeakPolarHBondContact O-CD 3.22Å; S38-P41 WeakPolarHBondContact O-CG 3.5Å
42L74.9Confident74.5Confident127 Ų127124.8 Ų124.867%0.66562%0.621SS**Hα-helixtrans-74.2-35.5176-59.4179.4000112.3L39 R40L39-L42 HydrophobicContact CD2-CD1 4.12Å; L39-L42 CarbonylContact O-C 3.59Å; L39-L42 WeakPolarHBondContact O-CA 3.4Å; L39-L42 WeakPolarHBondContact O-CB 3.47Å; L39-L42 PolarHBondContact O-N 3.42Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 3.11Å
43L69.7Low74.1Confident124 Ų124122.5 Ų122.565%0.64961%0.607SS**Hα-helixtrans-76.7-23.4176.8-68170.5000112.6L39 R40 K45L39-L43 HydrophobicContact CB-CD1 4.21Å; L39-L43 WeakPolarHBondContact O-CG 3.35Å; L39-L43 PolarHBondContact O-N 2.93Å; R40-L43 PolarHBondContact O-N 2.78Å; L43-K45 PolarHBondContact O-N 3Å
44R68.5Low73.8Confident218 Ų218123 Ų12382%0.82362%0.616SS**  trans-7452.7167.9-92.2-175.2170.1-173.8-1.2111.4R40 K46R40-R44 WeakPolarHBondContact O-CB 3.43Å; R40-R44 PolarHBondContact O-N 3.27Å; R44-K46 PolarHBondContact O-N 2.74Å
45K55.5Low73.5Confident192 Ų192125.9 Ų125.984%0.83562%0.624SS**  trans-7281.6156.1-87.7-173.6177.4178.90108.3L43 K47L43-K45 PolarHBondContact O-N 3Å; K45-K47 PolarHBondContact O-N 3.28Å
46K49.5Very low73.2Confident199 Ų199124.3 Ų124.387%0.86561%0.612SS**  trans-65.6103.1172.3-156.3179.2-174-174.60107.5R44 S48R44-K46 PolarHBondContact O-N 2.74Å; K46-S48 PolarHBondContact O-N 2.98Å
47K46.3Very low73.1Confident203 Ų203121.4 Ų121.488%0.88362%0.618SS**  trans-61.289.8164.7-84-175.5175.4-178.40107.5K45 Q49K45-K47 PolarHBondContact O-N 3.28Å; K47-Q49 PolarHBondContact O-N 3.34Å
48S53.6Low73.3Confident93 Ų93123.6 Ų123.665%0.6562%0.621SS**  trans-73.7100.4166.1-170.80000106.4K46 K50K46-S48 PolarHBondContact O-N 2.98Å; S48-K50 VanDerWaalsContact C-N 3.34Å; S48-K50 PolarHBondContact O-N 3.38Å
49Q48.4Very low73.5Confident195 Ų195125.8 Ų125.891%0.91162%0.617SS**  trans-55.9103.7161.6-83174.9-36.200106.6K47K47-Q49 PolarHBondContact O-N 3.34Å
50K58.9Low73.8Confident80 Ų80122 Ų12235%0.34860%0.597SS.*  trans-82.5134.1170.3-83.2178.5169179.50107S48 E52 N91S48-K50 VanDerWaalsContact C-N 3.34Å; S48-K50 PolarHBondContact O-N 3.38Å; K50-E52 PolarHBondContact O-N 3.39Å; K50-N91 WeakPolarHBondContact CD-O 3.45Å; K50-N91 PolarHBondContact NZ-O 3.33Å
51C60.1Low74.3Confident128 Ų128117.2 Ų117.287%0.86558%0.579SS**  trans-61.3105.7160.3-66.40000106.5V53C51-V53 PolarHBondContact O-N 2.7Å
52E78.3Confident75.1Confident158 Ų158115.1 Ų115.174%0.73856%0.564SS**PPolyproline II helixtrans-74.4123.5177.8-66.6-174.6167.800108.6K50 N91K50-E52 PolarHBondContact O-N 3.39Å; E52-N91 WeakPolarHBondContact CA-OD1 3.29Å
53V85.6Confident76.1Confident28 Ų28110 Ų11017%0.1754%0.538CS..PPolyproline II helixtrans-72.7138.3173.5-1770000107.7C51 H75 R77 T90 N91C51-V53 PolarHBondContact O-N 2.7Å; V53-H75 HydrophobicContact CG1-CB 4.35Å; V53-R77 VanDerWaalsContact CG1-NH2 3.27Å; V53-T90 HydrophobicContact CB-CG2 4.2Å; V53-T90 HydrophobicContact CG2-CG2 3.82Å; V53-N91 PolarHBondContact N-OD1 2.94Å; V53-N91 PolarHBondContact O-ND2 3.36Å
54P87.5Confident77.2Confident102 Ų102111.7 Ų111.766%0.66254%0.542SS*.PPolyproline II helixtrans-53.4143.2175.2-26.634.6000112.1M56 R77P54-M56 PolarHBondContact O-N 3.08Å; P54-R77 PolarHBondContact O-NH1 3.44Å; P54-R77 VanDerWaalsContact O-NH1 3.16Å; P54-R77 PolarHBondContact O-NH2 3.05Å
55K88.1Confident78.5Confident154 Ų154104 Ų10467%0.6752%0.516SS*.PPolyproline II helixtrans-57.1134.9175.7-70.9-166.5173.1-156.60109.9D152K55-D152 IonicContact NZ-OD1 3.56Å; K55-D152 PolarHBondContact NZ-OD1 2.9Å; K55-D152 IonicContact NZ-OD2 3.97Å
56M88.1Confident80.4Confident50 Ų5094.9 Ų94.925%0.24648%0.476CS..PPolyproline II helixtrans-80.6141.3176.4-179.6171-98.900109.8P54 F61 F69 L79 I154P54-M56 PolarHBondContact O-N 3.08Å; M56-F61 HydrophobicContact SD-CZ 3.98Å; M56-F69 HydrophobicContact CE-CD1 4.49Å; M56-F69 HydrophobicContact CE-CE1 3.74Å; M56-F69 HydrophobicContact CE-CZ 4.18Å; M56-L79 HydrophobicContact SD-CD1 4.09Å; M56-L79 HydrophobicContact SD-CD2 4.41Å; M56-I154 HydrophobicContact CB-CD1 4.15Å; M56-I154 HydrophobicContact CG-CG2 4.17Å; M56-I154 HydrophobicContact SD-CG2 4.18Å
57G90.1Very high82.6Confident58 Ų5888.9 Ų88.960%0.59845%0.451SS*.PPolyproline II helixtrans-68155.8172.400000111.8I154G57-I154 WeakPolarHBondContact O-CG2 3.49Å
58R92.8Very high84.9Confident122 Ų12282.9 Ų82.946%0.4643%0.434SS..PPolyproline II helixtrans-66.5134.4-178.9-72.3-172.2173.8168.82.5111.8I154 Y167R58-I154 CarbonylContact C-O 3.42Å; R58-I154 WeakPolarHBondContact CA-O 3.38Å; R58-I154 VanDerWaalsContact CB-O 3.23Å; R58-I154 WeakPolarHBondContact CB-O 3.45Å; R58-I154 WeakPolarHBondContact CG-O 3.34Å; R58-Y167 HydrophobicContact CB-CD1 3.78Å; R58-Y167 HydrophobicContact CB-CD2 4.47Å; R58-Y167 HydrophobicContact CB-CE1 4.15Å; R58-Y167 HydrophobicContact CB-CG 3.94Å
59R93.4Very high86.9Confident132 Ų13280.7 Ų80.750%0.49841%0.413SS..  trans-158.8147.3177.8-161.5-173160.1157.6-8.9110.7F61 E65 I154 G155R59-F61 HydrophobicContact CB-CE2 4.09Å; R59-F61 HydrophobicContact CB-CZ 4.37Å; R59-F61 VanDerWaalsContact O-CD2 3.29Å; R59-F61 WeakPolarHBondContact O-CD2 3.38Å; R59-F61 WeakPolarHBondContact O-CE2 3.24Å; R59-E65 IonicContact NH2-OE1 3.06Å; R59-E65 PolarHBondContact NH2-OE1 3.26Å; R59-I154 PolarHBondContact N-O 3.12Å; R59-G155 WeakPolarHBondContact O-CA 3.46Å
60D96Very high89.1Confident0 Ų074.3 Ų74.30%039%0.386CS..  trans-78.8149.6166.6-73.4-29.8000110.1R156 L158 H164 R165 Y167D60-R156 WeakPolarHBondContact CA-O 3.07Å; D60-R156 VanDerWaalsContact OD1-CB 3.25Å; D60-R156 WeakPolarHBondContact OD1-CB 3.3Å; D60-R156 IonicContact OD1-CZ 3.74Å; D60-R156 PolarHBondContact OD1-N 2.93Å; D60-R156 VanDerWaalsContact OD1-N 3.09Å; D60-R156 IonicContact OD1-NE 3.13Å; D60-R156 PolarHBondContact OD1-NE 2.97Å; D60-R156 VanDerWaalsContact OD1-NE 3.13Å; D60-R156 IonicContact OD1-NH2 3.57Å; D60-R156 IonicContact OD2-CZ 3.65Å; D60-R156 IonicContact OD2-NE 3.72Å; D60-R156 IonicContact OD2-NH2 2.76Å; D60-R156 PolarHBondContact OD2-NH2 3.41Å; D60-L158 HydrophobicContact CB-CD1 4.01Å; D60-L158 HydrophobicContact CB-CD2 3.81Å; D60-L158 HydrophobicContact CB-CG 3.89Å; D60-H164 PolarHBondContact O-CD2 2.9Å; D60-H164 VanDerWaalsContact O-CD2 3.27Å; D60-R165 WeakPolarHBondContact OD2-CB 3.24Å; D60-R165 PolarHBondContact OD2-N 3.24Å; D60-Y167 HydrophobicContact CB-CE2 4.49Å; D60-Y167 PolarHBondContact OD1-OH 2.93Å
61F96Very high90.7Very high9 Ų971.1 Ų71.14%0.03938%0.375CS..BIsolated β-bridgetrans-129140.4176.5-59.8-107.7000110.2M56 R59 E65 L66 F69 L79 I86 I154 R156 L158M56-F61 HydrophobicContact SD-CZ 3.98Å; R59-F61 HydrophobicContact CB-CE2 4.09Å; R59-F61 HydrophobicContact CB-CZ 4.37Å; R59-F61 VanDerWaalsContact O-CD2 3.29Å; R59-F61 WeakPolarHBondContact O-CD2 3.38Å; R59-F61 WeakPolarHBondContact O-CE2 3.24Å; F61-E65 WeakPolarHBondContact CA-OE2 3.22Å; F61-E65 HydrophobicContact CB-CB 4.3Å; F61-E65 HydrophobicContact CD1-CB 4.14Å; F61-L66 HydrophobicContact CB-CB 4.45Å; F61-F69 HydrophobicContact CD1-CD2 4.44Å; F61-F69 AromaticContact CD1-CE2 3.98Å; F61-F69 HydrophobicContact CD1-CE2 3.98Å; F61-F69 HydrophobicContact CE1-CD2 4.15Å; F61-F69 AromaticContact CE1-CE2 3.51Å; F61-F69 HydrophobicContact CE1-CE2 3.51Å; F61-F69 AromaticContact CE1-CZ 3.98Å; F61-F69 HydrophobicContact CE1-CZ 3.98Å; F61-L79 HydrophobicContact CD1-CD1 4.42Å; F61-L79 HydrophobicContact CE1-CD1 3.77Å; F61-L79 HydrophobicContact CE2-CD1 4.14Å; F61-L79 HydrophobicContact CZ-CD1 3.6Å; F61-I86 HydrophobicContact CB-CD1 3.48Å; F61-I86 VanDerWaalsContact CB-CD1 3.48Å; F61-I86 HydrophobicContact CD2-CD1 3.37Å; F61-I86 HydrophobicContact CD2-CG2 4.23Å; F61-I86 HydrophobicContact CE2-CD1 4.39Å; F61-I86 HydrophobicContact CE2-CG2 4.31Å; F61-I86 HydrophobicContact CG-CD1 3.74Å; F61-I154 HydrophobicContact CE2-CG2 3.81Å; F61-I154 HydrophobicContact CZ-CG2 4.29Å; F61-R156 PolarHBondContact N-O 3.01Å; F61-L158 PolarHBondContact O-N 3.34Å
62T95.9Very high92.2Very high45 Ų4569 Ų6928%0.27636%0.362SS..  trans-71.6163.3157.171.80000109.6E64 E65 L66 L158T62-E64 VanDerWaalsContact C-N 3.28Å; T62-E64 PolarHBondContact O-N 3.01Å; T62-E65 PolarHBondContact N-OE2 3.18Å; T62-E65 PolarHBondContact O-N 2.98Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 3.13Å; T62-E65 VanDerWaalsContact OG1-N 3.11Å; T62-L66 WeakPolarHBondContact O-CB 3.01Å; T62-L66 PolarHBondContact O-N 2.99Å; T62-L158 HydrophobicContact CG2-CD1 4.2Å
63L95.1Very high92.5Very high21 Ų2163.4 Ų63.411%0.1135%0.346CS..Hα-helixtrans-63.9-36.7177.2-166.3149.3000111.7L66 Q67 D124 L157L63-L66 WeakPolarHBondContact O-CB 3.4Å; L63-L66 PolarHBondContact O-N 2.73Å; L63-Q67 HydrophobicContact CD2-CG 4.27Å; L63-Q67 VanDerWaalsContact CD2-NE2 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.35Å; L63-Q67 VanDerWaalsContact O-N 3.12Å; L63-D124 WeakPolarHBondContact CD2-O 3.48Å; L63-L157 HydrophobicContact CB-CD1 4.17Å
64E94.3Very high92Very high159 Ų15970.8 Ų70.874%0.74338%0.379SS*.Hα-helixtrans-63-43.9174.2-173.9-178.5-177.800112.2T62 L66 Q67T62-E64 VanDerWaalsContact C-N 3.28Å; T62-E64 PolarHBondContact O-N 3.01Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.24Å; E64-Q67 PolarHBondContact O-N 3.25Å
65E94.9Very high91.7Very high56 Ų5671.8 Ų71.826%0.26237%0.374SS..Hα-helixtrans-61.2-40.9174.6-72.6175.2139.200110.9R59 F61 T62 Q67 S68 F69 H164R59-E65 IonicContact NH2-OE1 3.06Å; R59-E65 PolarHBondContact NH2-OE1 3.26Å; F61-E65 WeakPolarHBondContact CA-OE2 3.22Å; F61-E65 HydrophobicContact CB-CB 4.3Å; F61-E65 HydrophobicContact CD1-CB 4.14Å; T62-E65 PolarHBondContact N-OE2 3.18Å; T62-E65 PolarHBondContact O-N 2.98Å; T62-E65 WeakPolarHBondContact OG1-CG 3.42Å; T62-E65 PolarHBondContact OG1-N 3.13Å; T62-E65 VanDerWaalsContact OG1-N 3.11Å; E65-Q67 PolarHBondContact O-N 3.3Å; E65-S68 PolarHBondContact O-N 3.12Å; E65-S68 PolarHBondContact O-OG 2.91Å; E65-F69 VanDerWaalsContact O-CD2 3.31Å; E65-F69 WeakPolarHBondContact O-CD2 3.17Å; E65-F69 WeakPolarHBondContact O-CE2 3.28Å; E65-H164 IonicContact OE1-NE2 2.88Å; E65-H164 IonicContact OE2-CD2 3.82Å; E65-H164 IonicContact OE2-CE1 3.7Å; E65-H164 IonicContact OE2-NE2 2.78Å; E65-H164 PolarHBondContact OE2-NE2 3.46Å
66L95.9Very high91.7Very high0 Ų070.3 Ų70.30%037%0.368CS..Hα-helixtrans-63.4-37-178.9-174.365.1000112.8F61 T62 L63 E64 S68 F69 L79 A81 I86 G108 L157F61-L66 HydrophobicContact CB-CB 4.45Å; T62-L66 WeakPolarHBondContact O-CB 3.01Å; T62-L66 PolarHBondContact O-N 2.99Å; L63-L66 WeakPolarHBondContact O-CB 3.4Å; L63-L66 PolarHBondContact O-N 2.73Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.24Å; L66-S68 PolarHBondContact O-N 2.82Å; L66-S68 VanDerWaalsContact O-N 3.13Å; L66-F69 PolarHBondContact O-N 2.53Å; L66-L79 HydrophobicContact CD1-CB 3.48Å; L66-L79 VanDerWaalsContact CD1-CB 3.48Å; L66-L79 HydrophobicContact CD1-CD1 4.25Å; L66-A81 HydrophobicContact CD2-CB 3.76Å; L66-I86 HydrophobicContact CD1-CD1 4.4Å; L66-I86 HydrophobicContact CD1-CG2 4.19Å; L66-G108 CarbonylContact C-O 3.59Å; L66-G108 VanDerWaalsContact O-CA 3.24Å; L66-G108 WeakPolarHBondContact O-CA 3.37Å; L66-L157 HydrophobicContact CD2-CD1 4.14Å
67Q94.9Very high92Very high74 Ų7469.4 Ų69.435%0.34636%0.362SS..Hα-helixtrans-58.2-27-179.3-75.1176.76.700113.6L63 E64 E65 F69 G108 D124L63-Q67 HydrophobicContact CD2-CG 4.27Å; L63-Q67 VanDerWaalsContact CD2-NE2 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.33Å; L63-Q67 PolarHBondContact O-N 3.35Å; L63-Q67 VanDerWaalsContact O-N 3.12Å; E64-Q67 PolarHBondContact O-N 3.25Å; E65-Q67 PolarHBondContact O-N 3.3Å; Q67-F69 PolarHBondContact O-N 2.95Å; Q67-G108 VanDerWaalsContact CA-O 3.22Å; Q67-G108 WeakPolarHBondContact CA-O 2.91Å; Q67-G108 PolarHBondContact N-O 3.43Å; Q67-D124 PolarHBondContact NE2-O 2.88Å
68S94.4Very high92.4Very high76 Ų7666.7 Ų66.753%0.53133%0.334SS..THydrogen-bonded Turntrans-69.7-11.917770.70000114.2E65 L66E65-S68 PolarHBondContact O-N 3.12Å; E65-S68 PolarHBondContact O-OG 2.91Å; L66-S68 PolarHBondContact O-N 2.82Å; L66-S68 VanDerWaalsContact O-N 3.13Å
69F95.6Very high92.6Very high47 Ų4760.9 Ų60.921%0.20631%0.312CS..  trans-106.351.1-178.2-58.8-83.7000112.3M56 F61 E65 L66 Q67 R77 I78 L79 G108M56-F69 HydrophobicContact CE-CD1 4.49Å; M56-F69 HydrophobicContact CE-CE1 3.74Å; M56-F69 HydrophobicContact CE-CZ 4.18Å; F61-F69 HydrophobicContact CD1-CD2 4.44Å; F61-F69 AromaticContact CD1-CE2 3.98Å; F61-F69 HydrophobicContact CD1-CE2 3.98Å; F61-F69 HydrophobicContact CE1-CD2 4.15Å; F61-F69 AromaticContact CE1-CE2 3.51Å; F61-F69 HydrophobicContact CE1-CE2 3.51Å; F61-F69 AromaticContact CE1-CZ 3.98Å; F61-F69 HydrophobicContact CE1-CZ 3.98Å; E65-F69 VanDerWaalsContact O-CD2 3.31Å; E65-F69 WeakPolarHBondContact O-CD2 3.17Å; E65-F69 WeakPolarHBondContact O-CE2 3.28Å; L66-F69 PolarHBondContact O-N 2.53Å; Q67-F69 PolarHBondContact O-N 2.95Å; F69-R77 CarbonylContact C-O 3.5Å; F69-R77 VanDerWaalsContact C-O 3.31Å; F69-R77 HydrophobicContact CD1-CB 4.16Å; F69-R77 HydrophobicContact CD1-CG 4.27Å; F69-I78 VanDerWaalsContact O-CA 3.3Å; F69-I78 WeakPolarHBondContact O-CA 3.47Å; F69-L79 HydrophobicContact CB-CB 3.8Å; F69-L79 HydrophobicContact CB-CD1 3.96Å; F69-L79 HydrophobicContact CB-CG 3.65Å; F69-L79 HydrophobicContact CD1-CD1 4.03Å; F69-L79 HydrophobicContact CD1-CG 4.21Å; F69-L79 HydrophobicContact CD2-CD1 3.75Å; F69-L79 HydrophobicContact CD2-CG 4.41Å; F69-L79 HydrophobicContact CE1-CD1 4.5Å; F69-L79 HydrophobicContact CE2-CD1 4.25Å; F69-L79 HydrophobicContact CG-CB 4.42Å; F69-L79 HydrophobicContact CG-CD1 3.63Å; F69-L79 HydrophobicContact CG-CG 3.84Å; F69-L79 PolarHBondContact O-N 3.31Å; F69-G108 PolarHBondContact O-N 3.35Å
70D95.2Very high92.8Very high62 Ų6254.6 Ų54.633%0.33229%0.288SS..BIsolated β-bridgetrans-90.42.2177.773.5-18.3000113.7S72 A107D70-S72 WeakPolarHBondContact OD1-CB 3.31Å; D70-S72 PolarHBondContact OD1-N 2.88Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 PolarHBondContact OD2-OG 2.78Å; D70-A107 HydrophobicContact CB-CB 4.24Å; D70-A107 WeakPolarHBondContact O-CB 3.39Å
71G93.5Very high93Very high12 Ų1254.6 Ų54.612%0.12429%0.288CS..SBendtrans86.36-174.700000115.5K76 R77G71-K76 WeakPolarHBondContact O-CA 3.35Å; G71-K76 WeakPolarHBondContact O-CB 3.47Å; G71-R77 WeakPolarHBondContact CA-O 3.49Å; G71-R77 PolarHBondContact N-O 2.9Å
72S90.6Very high93.1Very high85 Ų8554.2 Ų54.259%0.59429%0.286SS*.  trans-88.1-22.9177.570.70000114.6D70D70-S72 WeakPolarHBondContact OD1-CB 3.31Å; D70-S72 PolarHBondContact OD1-N 2.88Å; D70-S72 PolarHBondContact OD1-OG 3.41Å; D70-S72 PolarHBondContact OD2-OG 2.78Å
73G85.2Confident93.1Very high39 Ų3954.3 Ų54.340%0.40229%0.285SS..SBendtrans-68.8179-179.100000115.1H75 K76G73-H75 VanDerWaalsContact C-N 3.33Å; G73-H75 PolarHBondContact O-N 3.42Å; G73-K76 WeakPolarHBondContact O-CA 3.48Å; G73-K76 PolarHBondContact O-N 3.01Å
74E75.4Confident93.2Very high183 Ų18354.7 Ų54.786%0.85529%0.294SS*.THydrogen-bonded Turntrans-55.1-44-173.8-171.9177.3174.300113.2K76E74-K76 VanDerWaalsContact C-N 3.34Å
75H80.5Confident93.4Very high123 Ų12350.4 Ų50.457%0.56927%0.273SS*.THydrogen-bonded Turntrans-87.4-0.7177.6-57.5-47.1000114V53 G73 R77V53-H75 HydrophobicContact CG1-CB 4.35Å; G73-H75 VanDerWaalsContact C-N 3.33Å; G73-H75 PolarHBondContact O-N 3.42Å; H75-R77 PolarHBondContact O-N 3.2Å; H75-R77 VanDerWaalsContact O-N 3.08Å
76K88.5Confident93.5Very high123 Ų12347.7 Ų47.754%0.53526%0.261SS..  trans48.336-175.3-56.8-177.6-179177.90113G71 G73 E74G71-K76 WeakPolarHBondContact O-CA 3.35Å; G71-K76 WeakPolarHBondContact O-CB 3.47Å; G73-K76 WeakPolarHBondContact O-CA 3.48Å; G73-K76 PolarHBondContact O-N 3.01Å; E74-K76 VanDerWaalsContact C-N 3.34Å
77R94.6Very high93.7Very high31 Ų3147.7 Ų47.712%0.11726%0.261CS..  trans-71.7134.8-179.5-167.1179.2-63.7-84.56.3109.4V53 P54 F69 G71 H75 L79 D88 T90V53-R77 VanDerWaalsContact CG1-NH2 3.27Å; P54-R77 PolarHBondContact O-NH1 3.44Å; P54-R77 VanDerWaalsContact O-NH1 3.16Å; P54-R77 PolarHBondContact O-NH2 3.05Å; F69-R77 CarbonylContact C-O 3.5Å; F69-R77 VanDerWaalsContact C-O 3.31Å; F69-R77 HydrophobicContact CD1-CB 4.16Å; F69-R77 HydrophobicContact CD1-CG 4.27Å; G71-R77 WeakPolarHBondContact CA-O 3.49Å; G71-R77 PolarHBondContact N-O 2.9Å; H75-R77 PolarHBondContact O-N 3.2Å; H75-R77 VanDerWaalsContact O-N 3.08Å; R77-L79 HydrophobicContact CG-CD2 4.28Å; R77-D88 IonicContact CZ-OD2 2.83Å; R77-D88 IonicContact NH1-OD2 3.73Å; R77-D88 PolarHBondContact NH1-OD2 3.26Å; R77-T90 WeakPolarHBondContact CA-OG1 3.36Å; R77-T90 WeakPolarHBondContact CG-OG1 3.46Å
78I97.1Very high93.8Very high2 Ų244.6 Ų44.61%0.0125%0.246CC..BIsolated β-bridgetrans-120.6115.3-179.1-53.5162.8000107.5F69 I80 V89 T90 Q94 A107F69-I78 VanDerWaalsContact O-CA 3.3Å; F69-I78 WeakPolarHBondContact O-CA 3.47Å; I78-I80 HydrophobicContact CG2-CG1 4.38Å; I78-V89 HydrophobicContact CB-CG2 3.69Å; I78-V89 HydrophobicContact CG2-CG2 3.39Å; I78-V89 WeakPolarHBondContact O-CG2 3.5Å; I78-V89 PolarHBondContact O-N 3.21Å; I78-T90 PolarHBondContact N-OG1 2.9Å; I78-T90 PolarHBondContact O-OG1 3.08Å; I78-Q94 HydrophobicContact CD1-CG 4.48Å; I78-A107 HydrophobicContact CG2-CB 3.74Å
79L97.7Very high93.9Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-110.7145172.3-59.5-174.5000109.5M56 F61 L66 F69 R77 I86 F87 D88 G108 I154M56-L79 HydrophobicContact SD-CD1 4.09Å; M56-L79 HydrophobicContact SD-CD2 4.41Å; F61-L79 HydrophobicContact CD1-CD1 4.42Å; F61-L79 HydrophobicContact CE1-CD1 3.77Å; F61-L79 HydrophobicContact CE2-CD1 4.14Å; F61-L79 HydrophobicContact CZ-CD1 3.6Å; L66-L79 HydrophobicContact CD1-CB 3.48Å; L66-L79 VanDerWaalsContact CD1-CB 3.48Å; L66-L79 HydrophobicContact CD1-CD1 4.25Å; F69-L79 HydrophobicContact CB-CB 3.8Å; F69-L79 HydrophobicContact CB-CD1 3.96Å; F69-L79 HydrophobicContact CB-CG 3.65Å; F69-L79 HydrophobicContact CD1-CD1 4.03Å; F69-L79 HydrophobicContact CD1-CG 4.21Å; F69-L79 HydrophobicContact CD2-CD1 3.75Å; F69-L79 HydrophobicContact CD2-CG 4.41Å; F69-L79 HydrophobicContact CE1-CD1 4.5Å; F69-L79 HydrophobicContact CE2-CD1 4.25Å; F69-L79 HydrophobicContact CG-CB 4.42Å; F69-L79 HydrophobicContact CG-CD1 3.63Å; F69-L79 HydrophobicContact CG-CG 3.84Å; F69-L79 PolarHBondContact O-N 3.31Å; R77-L79 HydrophobicContact CG-CD2 4.28Å; L79-I86 HydrophobicContact CB-CG2 4.19Å; L79-I86 HydrophobicContact CD1-CG2 4.23Å; L79-F87 WeakPolarHBondContact CA-O 3.49Å; L79-D88 HydrophobicContact CD2-CB 3.72Å; L79-G108 WeakPolarHBondContact O-CA 3.33Å; L79-G108 PolarHBondContact O-N 3.03Å; L79-I154 HydrophobicContact CD2-CG1 4.45Å
80I98.3Very high93.9Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-135.9133.5177.4-57-175.6000108.2I78 V82 F87 V89 Y97 F106 A111 F147I78-I80 HydrophobicContact CG2-CG1 4.38Å; I80-V82 HydrophobicContact CG2-CG2 4.05Å; I80-F87 PolarHBondContact N-O 2.89Å; I80-F87 VanDerWaalsContact N-O 3.07Å; I80-F87 PolarHBondContact O-N 3.44Å; I80-V89 HydrophobicContact CD1-CG1 4.19Å; I80-V89 HydrophobicContact CD1-CG2 3.78Å; I80-V89 HydrophobicContact CG1-CG1 4.32Å; I80-V89 HydrophobicContact CG1-CG2 3.92Å; I80-Y97 HydrophobicContact CD1-CD1 3.39Å; I80-Y97 HydrophobicContact CD1-CD2 3.94Å; I80-Y97 HydrophobicContact CD1-CE1 3.79Å; I80-Y97 HydrophobicContact CD1-CE2 4.28Å; I80-Y97 HydrophobicContact CD1-CG 3.48Å; I80-Y97 VanDerWaalsContact CD1-CG 3.48Å; I80-F106 HydrophobicContact CD1-CB 3.88Å; I80-F106 WeakPolarHBondContact CG1-O 3.1Å; I80-F106 HydrophobicContact CG2-CB 4.32Å; I80-A111 HydrophobicContact CG2-CB 3.77Å; I80-F147 HydrophobicContact CB-CE1 4.36Å; I80-F147 HydrophobicContact CD1-CE1 4.44Å; I80-F147 HydrophobicContact CG2-CE1 4.23Å
81A98.5Very high93.7Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-90.7133.616900000110.8L66 K85 I86 R109 D110 A111 L157L66-A81 HydrophobicContact CD2-CB 3.76Å; A81-K85 CarbonylContact C-O 3.58Å; A81-K85 VanDerWaalsContact CA-O 3.23Å; A81-K85 WeakPolarHBondContact CA-O 3.44Å; A81-I86 HydrophobicContact CB-CG1 4.11Å; A81-R109 PolarHBondContact N-O 3.38Å; A81-D110 HydrophobicContact CB-CB 4.16Å; A81-A111 PolarHBondContact O-N 3.45Å; A81-L157 HydrophobicContact CB-CB 4.09Å; A81-L157 HydrophobicContact CB-CD2 3.82Å; A81-L157 HydrophobicContact CB-CG 4.4Å
82V98.4Very high93.7Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-137.9121174.5-175.90000108.1I80 G84 K85 F87 L115 L140 W143 E144 F147I80-V82 HydrophobicContact CG2-CG2 4.05Å; V82-G84 VanDerWaalsContact C-N 3.27Å; V82-G84 PolarHBondContact O-N 3.48Å; V82-K85 PolarHBondContact N-O 3.36Å; V82-K85 WeakPolarHBondContact O-CB 3.49Å; V82-K85 PolarHBondContact O-N 3.09Å; V82-F87 HydrophobicContact CB-CD2 4.27Å; V82-F87 HydrophobicContact CB-CE2 4Å; V82-F87 HydrophobicContact CG2-CD2 4.35Å; V82-L115 HydrophobicContact CB-CD1 4.48Å; V82-L115 HydrophobicContact CG1-CD1 3.92Å; V82-L115 HydrophobicContact CG2-CD1 3.76Å; V82-L140 HydrophobicContact CG1-CD1 4.04Å; V82-W143 HydrophobicContact CG1-CB 4.35Å; V82-E144 HydrophobicContact CG1-CB 4.28Å; V82-F147 HydrophobicContact CG2-CD1 3.82Å; V82-F147 HydrophobicContact CG2-CD2 4.15Å; V82-F147 HydrophobicContact CG2-CE1 3.83Å; V82-F147 HydrophobicContact CG2-CE2 4.14Å; V82-F147 HydrophobicContact CG2-CG 3.98Å; V82-F147 HydrophobicContact CG2-CZ 3.98Å
83N97.5Very high93.9Very high48 Ų4839.6 Ų39.626%0.25720%0.2SC..THydrogen-bonded Turntrans48.245.3-176.6-159.223.7000113.5K85 S112 L140 E144N83-K85 PolarHBondContact O-N 3.47Å; N83-S112 WeakPolarHBondContact CA-OG 3.49Å; N83-S112 PolarHBondContact N-OG 3.18Å; N83-L140 HydrophobicContact CB-CD1 4.07Å; N83-L140 HydrophobicContact CB-CD2 4.12Å; N83-L140 HydrophobicContact CB-CG 3.92Å; N83-E144 HydrophobicContact CB-CB 4.22Å; N83-E144 HydrophobicContact CB-CG 4.21Å; N83-E144 WeakPolarHBondContact CB-OE2 3.35Å; N83-E144 PolarHBondContact ND2-OE2 3.08Å
84G96.9Very high94.2Very high29 Ų2941.4 Ų41.430%0.29920%0.198SC..THydrogen-bonded Turntrans75.40.3-179.200000115.6V82 R156 L157V82-G84 VanDerWaalsContact C-N 3.27Å; V82-G84 PolarHBondContact O-N 3.48Å; G84-R156 CarbonylContact O-C 3.44Å; G84-R156 VanDerWaalsContact O-CA 3.28Å; G84-R156 WeakPolarHBondContact O-CA 3.28Å; G84-L157 PolarHBondContact O-N 3.13Å
85K98Very high95.1Very high68 Ų6835.2 Ų35.230%0.29618%0.184SC..EExtended strand (participates in β ladder)trans-102.6142.5173.2-67.7-178.5177.9172.50110.9A81 V82 N83 F87 E144A81-K85 CarbonylContact C-O 3.58Å; A81-K85 VanDerWaalsContact CA-O 3.23Å; A81-K85 WeakPolarHBondContact CA-O 3.44Å; V82-K85 PolarHBondContact N-O 3.36Å; V82-K85 WeakPolarHBondContact O-CB 3.49Å; V82-K85 PolarHBondContact O-N 3.09Å; N83-K85 PolarHBondContact O-N 3.47Å; K85-F87 HydrophobicContact CB-CD2 4.49Å; K85-F87 HydrophobicContact CB-CE2 3.61Å; K85-F87 HydrophobicContact CB-CZ 3.77Å; K85-F87 HydrophobicContact CD-CZ 4.13Å; K85-E144 HydrophobicContact CD-CG 4.1Å; K85-E144 WeakPolarHBondContact CD-OE1 3.45Å; K85-E144 WeakPolarHBondContact CE-OE1 3.14Å; K85-E144 IonicContact NZ-OE1 3.41Å; K85-E144 PolarHBondContact NZ-OE1 2.75Å
86I97.9Very high95.8Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-105.5129.6-179.1-65.8172.3000109.6F61 L66 L79 A81 H153 I154 G155 R156 L157F61-I86 HydrophobicContact CB-CD1 3.48Å; F61-I86 VanDerWaalsContact CB-CD1 3.48Å; F61-I86 HydrophobicContact CD2-CD1 3.37Å; F61-I86 HydrophobicContact CD2-CG2 4.23Å; F61-I86 HydrophobicContact CE2-CD1 4.39Å; F61-I86 HydrophobicContact CE2-CG2 4.31Å; F61-I86 HydrophobicContact CG-CD1 3.74Å; L66-I86 HydrophobicContact CD1-CD1 4.4Å; L66-I86 HydrophobicContact CD1-CG2 4.19Å; L79-I86 HydrophobicContact CB-CG2 4.19Å; L79-I86 HydrophobicContact CD1-CG2 4.23Å; A81-I86 HydrophobicContact CB-CG1 4.11Å; I86-H153 PolarHBondContact O-CD2 3.35Å; I86-I154 HydrophobicContact CG2-CB 4.33Å; I86-I154 PolarHBondContact O-N 2.87Å; I86-G155 PolarHBondContact N-O 2.94Å; I86-R156 VanDerWaalsContact CD1-C 3.5Å; I86-R156 WeakPolarHBondContact CD1-O 3.26Å; I86-L157 HydrophobicContact CD1-CB 4.26Å; I86-L157 HydrophobicContact CG1-CB 4.28Å
87F98.1Very high96.3Very high0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-118.9136.3-178.6-61.5-82.5000111.1L79 I80 V82 K85 V89 F147 S148 D152 H153L79-F87 WeakPolarHBondContact CA-O 3.49Å; I80-F87 PolarHBondContact N-O 2.89Å; I80-F87 VanDerWaalsContact N-O 3.07Å; I80-F87 PolarHBondContact O-N 3.44Å; V82-F87 HydrophobicContact CB-CD2 4.27Å; V82-F87 HydrophobicContact CB-CE2 4Å; V82-F87 HydrophobicContact CG2-CD2 4.35Å; K85-F87 HydrophobicContact CB-CD2 4.49Å; K85-F87 HydrophobicContact CB-CE2 3.61Å; K85-F87 HydrophobicContact CB-CZ 3.77Å; K85-F87 HydrophobicContact CD-CZ 4.13Å; F87-V89 HydrophobicContact CB-CG1 4.35Å; F87-V89 PolarHBondContact O-N 2.72Å; F87-F147 HydrophobicContact CB-CD1 4.11Å; F87-F147 HydrophobicContact CD1-CB 4.2Å; F87-F147 HydrophobicContact CD2-CB 3.9Å; F87-F147 AromaticContact CD2-CD1 3.93Å; F87-F147 HydrophobicContact CD2-CD1 3.93Å; F87-F147 HydrophobicContact CD2-CG 4.31Å; F87-F147 HydrophobicContact CE1-CB 4.17Å; F87-F147 HydrophobicContact CE2-CB 3.86Å; F87-F147 HydrophobicContact CG-CB 4.07Å; F87-F147 HydrophobicContact CG-CD1 4.06Å; F87-F147 HydrophobicContact CZ-CB 3.99Å; F87-S148 WeakPolarHBondContact CE1-OG 3.25Å; F87-S148 WeakPolarHBondContact CZ-OG 3.25Å; F87-D152 WeakPolarHBondContact CA-O 3.17Å; F87-H153 HydrophobicContact CD1-CB 4.16Å; F87-H153 HydrophobicContact CE1-CB 3.95Å
88D97.5Very high96.2Very high9 Ų928.4 Ų28.45%0.04816%0.155CC..EExtended strand (participates in β ladder)trans-86107.7169.5-169.9-21.8000110.1R77 L79 T90 D152 I154R77-D88 IonicContact CZ-OD2 2.83Å; R77-D88 IonicContact NH1-OD2 3.73Å; R77-D88 PolarHBondContact NH1-OD2 3.26Å; L79-D88 HydrophobicContact CD2-CB 3.72Å; D88-T90 WeakPolarHBondContact OD1-CB 3.24Å; D88-T90 PolarHBondContact OD1-N 3.23Å; D88-T90 PolarHBondContact OD1-OG1 2.94Å; D88-D152 PolarHBondContact N-O 3.28Å; D88-I154 HydrophobicContact CB-CD1 3.78Å; D88-I154 HydrophobicContact CB-CG1 3.68Å
89V97Very high96Very high0 Ų037.8 Ų37.80%020%0.196CC..  trans-101.29.3-178.8-51.80000112.1I78 I80 F87 G93 Y97 F147 Y151I78-V89 HydrophobicContact CB-CG2 3.69Å; I78-V89 HydrophobicContact CG2-CG2 3.39Å; I78-V89 WeakPolarHBondContact O-CG2 3.5Å; I78-V89 PolarHBondContact O-N 3.21Å; I80-V89 HydrophobicContact CD1-CG1 4.19Å; I80-V89 HydrophobicContact CD1-CG2 3.78Å; I80-V89 HydrophobicContact CG1-CG1 4.32Å; I80-V89 HydrophobicContact CG1-CG2 3.92Å; F87-V89 HydrophobicContact CB-CG1 4.35Å; F87-V89 PolarHBondContact O-N 2.72Å; V89-G93 CarbonylContact O-C 3.31Å; V89-G93 WeakPolarHBondContact O-CA 3.07Å; V89-G93 PolarHBondContact O-N 2.9Å; V89-Y97 HydrophobicContact CB-CD2 3.77Å; V89-Y97 HydrophobicContact CB-CE2 3.96Å; V89-Y97 HydrophobicContact CG1-CD2 4.31Å; V89-Y97 HydrophobicContact CG1-CE2 4.13Å; V89-Y97 HydrophobicContact CG2-CD2 3.49Å; V89-Y97 VanDerWaalsContact CG2-CD2 3.49Å; V89-Y97 HydrophobicContact CG2-CE2 4.14Å; V89-Y97 HydrophobicContact CG2-CG 4.07Å; V89-F147 HydrophobicContact CG1-CD1 4.44Å; V89-F147 HydrophobicContact CG1-CE1 4.13Å; V89-Y151 HydrophobicContact CB-CD1 3.95Å; V89-Y151 HydrophobicContact CB-CE1 3.99Å; V89-Y151 HydrophobicContact CB-CG 4.32Å; V89-Y151 HydrophobicContact CG1-CD1 3.84Å; V89-Y151 HydrophobicContact CG1-CD2 3.77Å; V89-Y151 HydrophobicContact CG1-CE1 4.09Å; V89-Y151 HydrophobicContact CG1-CE2 4.01Å; V89-Y151 HydrophobicContact CG1-CG 3.69Å
90T95.1Very high95.8Very high6 Ų641.6 Ų41.64%0.03724%0.235CC..Hα-helixtrans-59-56.9-170.9-54.20000112.4V53 R77 I78 D88 Q94V53-T90 HydrophobicContact CB-CG2 4.2Å; V53-T90 HydrophobicContact CG2-CG2 3.82Å; R77-T90 WeakPolarHBondContact CA-OG1 3.36Å; R77-T90 WeakPolarHBondContact CG-OG1 3.46Å; I78-T90 PolarHBondContact N-OG1 2.9Å; I78-T90 PolarHBondContact O-OG1 3.08Å; D88-T90 WeakPolarHBondContact OD1-CB 3.24Å; D88-T90 PolarHBondContact OD1-N 3.23Å; D88-T90 PolarHBondContact OD1-OG1 2.94Å; T90-Q94 WeakPolarHBondContact O-CB 3.28Å
91N92.5Very high95.6Very high37 Ų3742.4 Ų42.420%0.19824%0.242CC..Hα-helixtrans-70.9-49.3-172.3-70-29000111.8K50 E52 V53K50-N91 WeakPolarHBondContact CD-O 3.45Å; K50-N91 PolarHBondContact NZ-O 3.33Å; E52-N91 WeakPolarHBondContact CA-OD1 3.29Å; V53-N91 PolarHBondContact N-OD1 2.94Å; V53-N91 PolarHBondContact O-ND2 3.36Å
92K93.4Very high95.5Very high133 Ų13346.8 Ų46.858%0.57827%0.27SS*.Hα-helixtrans-88.1-30.4-173.7-66.9171.1179.1170.20113.5R150 Y151K92-R150 WeakPolarHBondContact CD-O 3.33Å; K92-R150 PolarHBondContact NZ-O 3.44Å; K92-Y151 HydrophobicContact CB-CD1 4.05Å; K92-Y151 HydrophobicContact CB-CE1 3.75Å
93G94.1Very high95.5Very high0 Ų051.6 Ų51.60%029%0.289CS..Hα-helixtrans-101.8-2.8-169.500000116.1V89 G95 F96 Y97V89-G93 CarbonylContact O-C 3.31Å; V89-G93 WeakPolarHBondContact O-CA 3.07Å; V89-G93 PolarHBondContact O-N 2.9Å; G93-G95 PolarHBondContact O-N 3.46Å; G93-F96 PolarHBondContact O-N 3.22Å; G93-Y97 VanDerWaalsContact O-CD2 3.24Å; G93-Y97 WeakPolarHBondContact O-CD2 3.41Å; G93-Y97 PolarHBondContact O-N 2.59Å
94Q92.3Very high95.4Very high77 Ų7750.9 Ų50.936%0.3629%0.29SS..Hα-helixtrans-52.9-34.1-177.3-164.9179.129.400115I78 T90 F96 G98I78-Q94 HydrophobicContact CD1-CG 4.48Å; T90-Q94 WeakPolarHBondContact O-CB 3.28Å; Q94-F96 PolarHBondContact O-N 3.3Å; Q94-G98 VanDerWaalsContact O-CA 3.26Å; Q94-G98 WeakPolarHBondContact O-CA 3.28Å; Q94-G98 PolarHBondContact O-N 3.37Å
95G93.2Very high95.4Very high54 Ų5451.5 Ų51.556%0.55729%0.292SS*.Hα-helixtrans-75.2-10.317900000114.4G93 A101G93-G95 PolarHBondContact O-N 3.46Å; G95-A101 WeakPolarHBondContact O-CB 3.49Å
96F96.4Very high95.4Very high107 Ų10748.6 Ų48.647%0.46928%0.28SS..Hα-helixtrans-110.9-42.2-177.6-65.6-72.2000111.7G93 Q94 A101 Y103G93-F96 PolarHBondContact O-N 3.22Å; Q94-F96 PolarHBondContact O-N 3.3Å; F96-A101 WeakPolarHBondContact O-CB 3.4Å; F96-Y103 HydrophobicContact CB-CD2 4.07Å; F96-Y103 HydrophobicContact CD1-CD2 4.34Å; F96-Y103 HydrophobicContact CD1-CE2 4.19Å; F96-Y103 CarbonylContact O-C 3.4Å; F96-Y103 VanDerWaalsContact O-CA 3.32Å; F96-Y103 WeakPolarHBondContact O-CA 3.39Å; F96-Y103 WeakPolarHBondContact O-CB 3.42Å; F96-Y103 PolarHBondContact O-N 2.84Å
97Y97.1Very high95.4Very high19 Ų1949 Ų498%0.07528%0.283CS..Hα-helixtrans-113.5-9.8-174.2-43.8-71.9000113.9I80 V89 G93 Y103 F106 F147 Y151I80-Y97 HydrophobicContact CD1-CD1 3.39Å; I80-Y97 HydrophobicContact CD1-CD2 3.94Å; I80-Y97 HydrophobicContact CD1-CE1 3.79Å; I80-Y97 HydrophobicContact CD1-CE2 4.28Å; I80-Y97 HydrophobicContact CD1-CG 3.48Å; I80-Y97 VanDerWaalsContact CD1-CG 3.48Å; V89-Y97 HydrophobicContact CB-CD2 3.77Å; V89-Y97 HydrophobicContact CB-CE2 3.96Å; V89-Y97 HydrophobicContact CG1-CD2 4.31Å; V89-Y97 HydrophobicContact CG1-CE2 4.13Å; V89-Y97 HydrophobicContact CG2-CD2 3.49Å; V89-Y97 VanDerWaalsContact CG2-CD2 3.49Å; V89-Y97 HydrophobicContact CG2-CE2 4.14Å; V89-Y97 HydrophobicContact CG2-CG 4.07Å; G93-Y97 VanDerWaalsContact O-CD2 3.24Å; G93-Y97 WeakPolarHBondContact O-CD2 3.41Å; G93-Y97 PolarHBondContact O-N 2.59Å; Y97-Y103 HydrophobicContact CE1-CD2 4.23Å; Y97-Y103 HydrophobicContact CE1-CG 4.48Å; Y97-F106 HydrophobicContact CD1-CB 4.43Å; Y97-F106 HydrophobicContact CD1-CD2 4.42Å; Y97-F106 HydrophobicContact CE1-CD2 4.28Å; Y97-F147 HydrophobicContact CE1-CZ 4.37Å; Y97-F147 WeakPolarHBondContact OH-CZ 3.25Å; Y97-Y151 HydrophobicContact CE2-CE2 4.22Å; Y97-Y151 AromaticContact CE2-CZ 3.8Å; Y97-Y151 WeakPolarHBondContact CE2-OH 3.41Å; Y97-Y151 PolarHBondContact OH-OH 2.96Å
98G94.2Very high95.4Very high7 Ų749 Ų497%0.07228%0.283CS..SBendtrans-66.2165.5176.900000112Q94 G100 A101 A104Q94-G98 VanDerWaalsContact O-CA 3.26Å; Q94-G98 WeakPolarHBondContact O-CA 3.28Å; Q94-G98 PolarHBondContact O-N 3.37Å; G98-G100 PolarHBondContact O-N 2.85Å; G98-G100 VanDerWaalsContact O-N 3.16Å; G98-A101 WeakPolarHBondContact O-CB 3.26Å; G98-A101 PolarHBondContact O-N 3.18Å; G98-A104 WeakPolarHBondContact O-CB 3.33Å
99K92.5Very high95.4Very high199 Ų19951.7 Ų51.787%0.86529%0.292SS*.THydrogen-bonded Turntrans-50.8122.9178.7-174.5169.7-1751700112A101K99-A101 VanDerWaalsContact C-N 3.3Å
100G92.8Very high95.5Very high80 Ų8052.4 Ų52.483%0.82530%0.296SS*.THydrogen-bonded Turntrans82.2-0.5-17900000115.2G98G98-G100 PolarHBondContact O-N 2.85Å; G98-G100 VanDerWaalsContact O-N 3.16Å
101A95.2Very high95.6Very high18 Ų1852.1 Ų52.115%0.14930%0.295CS..SBendtrans-78.4160.8172.700000111.5G95 F96 G98 K99 Y103 A104G95-A101 WeakPolarHBondContact O-CB 3.49Å; F96-A101 WeakPolarHBondContact O-CB 3.4Å; G98-A101 WeakPolarHBondContact O-CB 3.26Å; G98-A101 PolarHBondContact O-N 3.18Å; K99-A101 VanDerWaalsContact C-N 3.3Å; A101-Y103 PolarHBondContact O-N 3.02Å; A101-Y103 VanDerWaalsContact O-N 3.11Å; A101-A104 VanDerWaalsContact O-CB 3.29Å; A101-A104 WeakPolarHBondContact O-CB 3.37Å; A101-A104 PolarHBondContact O-N 3.37Å; A101-A104 VanDerWaalsContact O-N 3.1Å
102P96.4Very high95.9Very high91 Ų9150.4 Ų50.459%0.59129%0.285SS*.THydrogen-bonded Turntrans-59-27.8-172.4-26.735.8000115.3
103Y97.4Very high96.1Very high102 Ų10246 Ų4640%0.427%0.265SS..THydrogen-bonded Turntrans-114.525.8-178.4-48-49.6000111.8F96 Y97 A101 A105 F106 L120F96-Y103 HydrophobicContact CB-CD2 4.07Å; F96-Y103 HydrophobicContact CD1-CD2 4.34Å; F96-Y103 HydrophobicContact CD1-CE2 4.19Å; F96-Y103 CarbonylContact O-C 3.4Å; F96-Y103 VanDerWaalsContact O-CA 3.32Å; F96-Y103 WeakPolarHBondContact O-CA 3.39Å; F96-Y103 WeakPolarHBondContact O-CB 3.42Å; F96-Y103 PolarHBondContact O-N 2.84Å; Y97-Y103 HydrophobicContact CE1-CD2 4.23Å; Y97-Y103 HydrophobicContact CE1-CG 4.48Å; A101-Y103 PolarHBondContact O-N 3.02Å; A101-Y103 VanDerWaalsContact O-N 3.11Å; Y103-A105 PolarHBondContact O-N 2.98Å; Y103-A105 VanDerWaalsContact O-N 3.13Å; Y103-F106 HydrophobicContact CD1-CE2 4.46Å; Y103-F106 HydrophobicContact CG-CE2 4.47Å; Y103-F106 PolarHBondContact O-N 2.92Å; Y103-L120 HydrophobicContact CD1-CD2 3.77Å; Y103-L120 HydrophobicContact CE1-CD2 4.32Å
104A96.5Very high96.3Very high32 Ų3246.1 Ų46.126%0.26427%0.266SS..G310 helixtrans-57.1-25.8177.800000113G98 A101 F106 A107G98-A104 WeakPolarHBondContact O-CB 3.33Å; A101-A104 VanDerWaalsContact O-CB 3.29Å; A101-A104 WeakPolarHBondContact O-CB 3.37Å; A101-A104 PolarHBondContact O-N 3.37Å; A101-A104 VanDerWaalsContact O-N 3.1Å; A104-F106 PolarHBondContact O-N 3.05Å; A104-F106 VanDerWaalsContact O-N 3.15Å; A104-A107 WeakPolarHBondContact O-CB 3.39Å; A104-A107 PolarHBondContact O-N 3.13Å
105A96.9Very high96.6Very high42 Ų4243 Ų4335%0.34725%0.252SS..G310 helixtrans-60.4-17.8174.800000114Y103 R109 L120 T122Y103-A105 PolarHBondContact O-N 2.98Å; Y103-A105 VanDerWaalsContact O-N 3.13Å; A105-R109 VanDerWaalsContact O-CD 3.29Å; A105-R109 WeakPolarHBondContact O-CD 3.1Å; A105-L120 WeakPolarHBondContact CB-O 3.42Å; A105-T122 PolarHBondContact O-OG1 2.87Å
106F98.1Very high96.8Very high8 Ų840.6 Ų40.64%0.03523%0.226CC..G310 helixtrans-90.2-13.1178.8-59.3-24.4000113.7I80 Y97 Y103 A104 G108 R109 A111 A114 L115 L120 T122I80-F106 HydrophobicContact CD1-CB 3.88Å; I80-F106 WeakPolarHBondContact CG1-O 3.1Å; I80-F106 HydrophobicContact CG2-CB 4.32Å; Y97-F106 HydrophobicContact CD1-CB 4.43Å; Y97-F106 HydrophobicContact CD1-CD2 4.42Å; Y97-F106 HydrophobicContact CE1-CD2 4.28Å; Y103-F106 HydrophobicContact CD1-CE2 4.46Å; Y103-F106 HydrophobicContact CG-CE2 4.47Å; Y103-F106 PolarHBondContact O-N 2.92Å; A104-F106 PolarHBondContact O-N 3.05Å; A104-F106 VanDerWaalsContact O-N 3.15Å; F106-G108 PolarHBondContact O-N 3.18Å; F106-R109 PolarHBondContact O-N 3.15Å; F106-A111 HydrophobicContact CB-CB 4Å; F106-A111 HydrophobicContact CD1-CB 3.86Å; F106-A111 HydrophobicContact CD2-CB 4.25Å; F106-A111 HydrophobicContact CE1-CB 4.4Å; F106-A111 HydrophobicContact CG-CB 3.78Å; F106-A114 HydrophobicContact CD1-CB 4.39Å; F106-A114 HydrophobicContact CE1-CB 3.45Å; F106-A114 VanDerWaalsContact CE1-CB 3.45Å; F106-A114 HydrophobicContact CZ-CB 3.91Å; F106-L115 HydrophobicContact CE2-CD2 3.9Å; F106-L115 HydrophobicContact CE2-CG 4.48Å; F106-L115 HydrophobicContact CZ-CD2 4.35Å; F106-L120 HydrophobicContact CE1-CD2 4.23Å; F106-L120 HydrophobicContact CE2-CD2 4.19Å; F106-L120 HydrophobicContact CZ-CD2 3.67Å; F106-T122 HydrophobicContact CD1-CG2 3.65Å; F106-T122 HydrophobicContact CE1-CG2 4.08Å
107A97.6Very high96.9Very high8 Ų837.5 Ų37.57%0.06622%0.218CC..THydrogen-bonded Turntrans-65.1125.1-176.300000111.2D70 I78 A104 R109D70-A107 HydrophobicContact CB-CB 4.24Å; D70-A107 WeakPolarHBondContact O-CB 3.39Å; I78-A107 HydrophobicContact CG2-CB 3.74Å; A104-A107 WeakPolarHBondContact O-CB 3.39Å; A104-A107 PolarHBondContact O-N 3.13Å; A107-R109 VanDerWaalsContact C-N 3.32Å
108G97.2Very high96.9Very high1 Ų143.9 Ų43.91%0.0125%0.246CC..THydrogen-bonded Turntrans73.219.3-179.100000114.3L66 Q67 F69 L79 F106L66-G108 CarbonylContact C-O 3.59Å; L66-G108 VanDerWaalsContact O-CA 3.24Å; L66-G108 WeakPolarHBondContact O-CA 3.37Å; Q67-G108 VanDerWaalsContact CA-O 3.22Å; Q67-G108 WeakPolarHBondContact CA-O 2.91Å; Q67-G108 PolarHBondContact N-O 3.43Å; F69-G108 PolarHBondContact O-N 3.35Å; L79-G108 WeakPolarHBondContact O-CA 3.33Å; L79-G108 PolarHBondContact O-N 3.03Å; F106-G108 PolarHBondContact O-N 3.18Å
109R97.8Very high96.9Very high64 Ų6446.2 Ų46.224%0.24226%0.257CS..EExtended strand (participates in β ladder)trans-136.2166.9-170.9-63.3-178.6176.5-89.9-0.1113.3A81 A105 F106 A107 T122 K123 D124A81-R109 PolarHBondContact N-O 3.38Å; A105-R109 VanDerWaalsContact O-CD 3.29Å; A105-R109 WeakPolarHBondContact O-CD 3.1Å; F106-R109 PolarHBondContact O-N 3.15Å; A107-R109 VanDerWaalsContact C-N 3.32Å; R109-T122 HydrophobicContact CB-CG2 4.31Å; R109-T122 WeakPolarHBondContact CD-OG1 3.32Å; R109-K123 PolarHBondContact NH1-O 2.83Å; R109-D124 IonicContact CZ-OD1 2.63Å; R109-D124 IonicContact NH1-OD1 2.66Å; R109-D124 PolarHBondContact NH1-OD1 2.61Å; R109-D124 IonicContact NH2-OD1 3.75Å; R109-D124 PolarHBondContact NH2-OD1 3.26Å
110D98.1Very high97.1Very high16 Ų1640.9 Ų40.99%0.08624%0.237CC..EExtended strand (participates in β ladder)trans-81.7109.4164.5-169.4-2.4000110.3A81 S112 L157A81-D110 HydrophobicContact CB-CB 4.16Å; D110-S112 VanDerWaalsContact C-N 3.34Å; D110-S112 WeakPolarHBondContact OD1-CB 3.29Å; D110-S112 PolarHBondContact OD1-N 2.88Å; D110-S112 PolarHBondContact OD1-OG 3.4Å; D110-L157 HydrophobicContact CB-CD2 3.78Å; D110-L157 WeakPolarHBondContact OD2-CD2 3.45Å
111A98.2Very high97.2Very high0 Ų044.6 Ų44.60%023%0.233CC..  trans-89.20.118000000112.7I80 A81 F106 R113 A114 L115I80-A111 HydrophobicContact CG2-CB 3.77Å; A81-A111 PolarHBondContact O-N 3.45Å; F106-A111 HydrophobicContact CB-CB 4Å; F106-A111 HydrophobicContact CD1-CB 3.86Å; F106-A111 HydrophobicContact CD2-CB 4.25Å; F106-A111 HydrophobicContact CE1-CB 4.4Å; F106-A111 HydrophobicContact CG-CB 3.78Å; A111-R113 PolarHBondContact O-N 3.16Å; A111-A114 PolarHBondContact O-N 3.39Å; A111-A114 VanDerWaalsContact O-N 3.16Å; A111-L115 HydrophobicContact CB-CD1 3.83Å; A111-L115 HydrophobicContact CB-CG 4.09Å; A111-L115 WeakPolarHBondContact O-CB 3.48Å; A111-L115 VanDerWaalsContact O-CG 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.3Å; A111-L115 PolarHBondContact O-N 2.81Å
112S98.3Very high97.1Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-53.5-55.8-169.2-600000113.7N83 D110 A114 L115 A116 L129 L140N83-S112 WeakPolarHBondContact CA-OG 3.49Å; N83-S112 PolarHBondContact N-OG 3.18Å; D110-S112 VanDerWaalsContact C-N 3.34Å; D110-S112 WeakPolarHBondContact OD1-CB 3.29Å; D110-S112 PolarHBondContact OD1-N 2.88Å; D110-S112 PolarHBondContact OD1-OG 3.4Å; S112-A114 PolarHBondContact O-N 2.82Å; S112-L115 PolarHBondContact O-N 3.17Å; S112-A116 WeakPolarHBondContact O-CB 3.46Å; S112-A116 PolarHBondContact O-N 3.48Å; S112-L129 VanDerWaalsContact CB-CD1 3.46Å; S112-L140 WeakPolarHBondContact O-CD1 3.43Å
113R98.1Very high97Very high42 Ų4246.1 Ų46.116%0.15823%0.23CC..Hα-helixtrans-64.4-41.7179-176.7178.2-58.9-82.2-3.9111.8A111 L115 A116 C117 D127 D128 L129 D131A111-R113 PolarHBondContact O-N 3.16Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 3.46Å; R113-A116 PolarHBondContact O-N 3.46Å; R113-C117 VanDerWaalsContact O-CB 3.28Å; R113-C117 WeakPolarHBondContact O-CB 3.48Å; R113-C117 PolarHBondContact O-N 2.89Å; R113-C117 PolarHBondContact O-SG 3.26Å; R113-D127 VanDerWaalsContact CB-OD2 3.26Å; R113-D127 WeakPolarHBondContact CB-OD2 3.47Å; R113-D127 WeakPolarHBondContact CD-OD2 3.31Å; R113-D127 IonicContact CZ-OD1 3.58Å; R113-D127 IonicContact CZ-OD2 2.82Å; R113-D127 VanDerWaalsContact NE-CG 3.32Å; R113-D127 IonicContact NE-OD1 3.51Å; R113-D127 PolarHBondContact NE-OD1 2.91Å; R113-D127 VanDerWaalsContact NE-OD1 3.17Å; R113-D127 IonicContact NE-OD2 2.76Å; R113-D127 PolarHBondContact NE-OD2 3.11Å; R113-D127 IonicContact NH2-OD1 2.81Å; R113-D127 PolarHBondContact NH2-OD1 2.86Å; R113-D127 IonicContact NH2-OD2 3.17Å; R113-D128 PolarHBondContact NH2-O 2.88Å; R113-L129 HydrophobicContact CB-CD2 4.02Å; R113-D131 IonicContact CZ-OD1 3.17Å; R113-D131 VanDerWaalsContact CZ-OD1 3.31Å; R113-D131 IonicContact CZ-OD2 2.83Å; R113-D131 VanDerWaalsContact NH1-CG 3.27Å; R113-D131 IonicContact NH1-OD1 2.88Å; R113-D131 PolarHBondContact NH1-OD1 2.97Å; R113-D131 IonicContact NH1-OD2 3.66Å; R113-D131 PolarHBondContact NH1-OD2 2.96Å; R113-D131 IonicContact NH2-OD1 2.61Å; R113-D131 PolarHBondContact NH2-OD1 2.7Å; R113-D131 IonicContact NH2-OD2 3.6Å
114A98.1Very high96.8Very high1 Ų145.8 Ų45.81%0.00824%0.235CC..Hα-helixtrans-60.3-43.7-178.900000111.7F106 A111 S112 C117 F118 N119 E121 T122F106-A114 HydrophobicContact CD1-CB 4.39Å; F106-A114 HydrophobicContact CE1-CB 3.45Å; F106-A114 VanDerWaalsContact CE1-CB 3.45Å; F106-A114 HydrophobicContact CZ-CB 3.91Å; A111-A114 PolarHBondContact O-N 3.39Å; A111-A114 VanDerWaalsContact O-N 3.16Å; S112-A114 PolarHBondContact O-N 2.82Å; A114-C117 CarbonylContact O-C 3.43Å; A114-C117 PolarHBondContact O-N 3.17Å; A114-F118 WeakPolarHBondContact O-CA 3.45Å; A114-F118 PolarHBondContact O-N 2.76Å; A114-N119 VanDerWaalsContact CA-OD1 3.25Å; A114-N119 WeakPolarHBondContact CA-OD1 3.46Å; A114-N119 WeakPolarHBondContact CB-OD1 3.39Å; A114-N119 PolarHBondContact O-N 2.88Å; A114-E121 WeakPolarHBondContact CB-O 3.25Å; A114-T122 HydrophobicContact CB-CG2 4.41Å
115L98.3Very high96.6Very high13 Ų1350.3 Ų50.37%0.06826%0.255CS..Hα-helixtrans-67.4-43.1176-69.9172000112.3V82 F106 A111 S112 R113 C117 F118 W143 F147V82-L115 HydrophobicContact CB-CD1 4.48Å; V82-L115 HydrophobicContact CG1-CD1 3.92Å; V82-L115 HydrophobicContact CG2-CD1 3.76Å; F106-L115 HydrophobicContact CE2-CD2 3.9Å; F106-L115 HydrophobicContact CE2-CG 4.48Å; F106-L115 HydrophobicContact CZ-CD2 4.35Å; A111-L115 HydrophobicContact CB-CD1 3.83Å; A111-L115 HydrophobicContact CB-CG 4.09Å; A111-L115 WeakPolarHBondContact O-CB 3.48Å; A111-L115 VanDerWaalsContact O-CG 3.28Å; A111-L115 WeakPolarHBondContact O-CG 3.3Å; A111-L115 PolarHBondContact O-N 2.81Å; S112-L115 PolarHBondContact O-N 3.17Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 3.46Å; L115-C117 VanDerWaalsContact C-N 3.28Å; L115-C117 PolarHBondContact O-N 3.41Å; L115-F118 PolarHBondContact O-N 2.89Å; L115-W143 HydrophobicContact CB-CB 4.41Å; L115-W143 HydrophobicContact CB-CD2 4.43Å; L115-W143 HydrophobicContact CB-CG 3.94Å; L115-W143 HydrophobicContact CD1-CB 4.25Å; L115-W143 HydrophobicContact CD1-CG 4.34Å; L115-W143 HydrophobicContact CD2-CD2 3.94Å; L115-W143 HydrophobicContact CD2-CE3 4.26Å; L115-W143 HydrophobicContact CD2-CG 4.29Å; L115-W143 HydrophobicContact CD2-CZ2 4.34Å; L115-W143 HydrophobicContact CG-CG 4.42Å; L115-W143 PolarHBondContact O-NE1 2.81Å; L115-W143 VanDerWaalsContact O-NE1 3.17Å; L115-F147 HydrophobicContact CD1-CE2 4.09Å; L115-F147 HydrophobicContact CD1-CZ 4.39Å
116A98.2Very high96.4Very high3 Ų351.9 Ų51.93%0.02525%0.252CS..Hα-helixtrans-63.4-34.1177.500000112.7S112 R113 L132 Q136 L140S112-A116 WeakPolarHBondContact O-CB 3.46Å; S112-A116 PolarHBondContact O-N 3.48Å; R113-A116 PolarHBondContact O-N 3.46Å; A116-L132 HydrophobicContact CB-CD1 3.87Å; A116-L132 HydrophobicContact CB-CD2 4.44Å; A116-Q136 HydrophobicContact CB-CB 4.35Å; A116-L140 HydrophobicContact CB-CB 4.08Å
117C97.4Very high96.3Very high42 Ų4252 Ų5228%0.28425%0.253SS..THydrogen-bonded Turntrans-102.57.6-176.3-63.40000113.8R113 A114 L115 N119R113-C117 VanDerWaalsContact O-CB 3.28Å; R113-C117 WeakPolarHBondContact O-CB 3.48Å; R113-C117 PolarHBondContact O-N 2.89Å; R113-C117 PolarHBondContact O-SG 3.26Å; A114-C117 CarbonylContact O-C 3.43Å; A114-C117 PolarHBondContact O-N 3.17Å; L115-C117 VanDerWaalsContact C-N 3.28Å; L115-C117 PolarHBondContact O-N 3.41Å; C117-N119 VanDerWaalsContact C-N 3.3Å; C117-N119 WeakPolarHBondContact CB-ND2 3.22Å; C117-N119 PolarHBondContact O-N 2.89Å
118F96.8Very high96.2Very high152 Ų15255.7 Ų55.767%0.66727%0.272SS*.THydrogen-bonded Turntrans5044.6-178.1-62.1-80.5000114.3A114 L115 T139 W143A114-F118 WeakPolarHBondContact O-CA 3.45Å; A114-F118 PolarHBondContact O-N 2.76Å; L115-F118 PolarHBondContact O-N 2.89Å; F118-T139 HydrophobicContact CE1-CG2 4.31Å; F118-T139 HydrophobicContact CE2-CG2 3.68Å; F118-T139 HydrophobicContact CZ-CG2 3.48Å; F118-T139 VanDerWaalsContact CZ-CG2 3.48Å; F118-W143 HydrophobicContact CE1-CZ2 4.4Å
119N95.6Very high96.1Very high56 Ų5656.8 Ų56.830%0.29928%0.277SS..SBendtrans-126-177.617571.947.2000110.9A114 C117 E121A114-N119 VanDerWaalsContact CA-OD1 3.25Å; A114-N119 WeakPolarHBondContact CA-OD1 3.46Å; A114-N119 WeakPolarHBondContact CB-OD1 3.39Å; A114-N119 PolarHBondContact O-N 2.88Å; C117-N119 VanDerWaalsContact C-N 3.3Å; C117-N119 WeakPolarHBondContact CB-ND2 3.22Å; C117-N119 PolarHBondContact O-N 2.89Å; N119-E121 PolarHBondContact OD1-N 3.27Å; N119-E121 PolarHBondContact OD1-O 3.4Å
120L95.4Very high96Very high87 Ų8759.3 Ų59.346%0.45530%0.3SS..  trans-115.611.9179.4-60.3178.4000112.5Y103 A105 F106Y103-L120 HydrophobicContact CD1-CD2 3.77Å; Y103-L120 HydrophobicContact CE1-CD2 4.32Å; A105-L120 WeakPolarHBondContact CB-O 3.42Å; F106-L120 HydrophobicContact CE1-CD2 4.23Å; F106-L120 HydrophobicContact CE2-CD2 4.19Å; F106-L120 HydrophobicContact CZ-CD2 3.67Å
121E95.4Very high96Very high159 Ų15963.4 Ų63.474%0.74332%0.322SS*.  trans-91119.7-175.8-66.5-176.2176.400110.7A114 N119A114-E121 WeakPolarHBondContact CB-O 3.25Å; N119-E121 PolarHBondContact OD1-N 3.27Å; N119-E121 PolarHBondContact OD1-O 3.4Å
122T93.6Very high95.9Very high33 Ų3364.2 Ų64.220%0.20233%0.326CS..  trans-116.8144.2178.452.10000110.4A105 F106 R109 A114A105-T122 PolarHBondContact O-OG1 2.87Å; F106-T122 HydrophobicContact CD1-CG2 3.65Å; F106-T122 HydrophobicContact CE1-CG2 4.08Å; R109-T122 HydrophobicContact CB-CG2 4.31Å; R109-T122 WeakPolarHBondContact CD-OG1 3.32Å; A114-T122 HydrophobicContact CB-CG2 4.41Å
123K93.5Very high95.9Very high108 Ų10867.8 Ų67.847%0.4735%0.348SS..  trans-83.3153.9174.4-65.4-178.2-176.3168.20111.4R109 D127R109-K123 PolarHBondContact NH1-O 2.83Å; K123-D127 HydrophobicContact CD-CB 4.15Å; K123-D127 IonicContact NZ-OD1 2.89Å; K123-D127 PolarHBondContact NZ-OD1 3.1Å; K123-D127 IonicContact NZ-OD2 3.31Å
124D93Very high95.9Very high94 Ų9469.7 Ų69.750%0.50337%0.373SS..SBendtrans-84-15.7170.1-69.3-45.1000112.5L63 Q67 R109L63-D124 WeakPolarHBondContact CD2-O 3.48Å; Q67-D124 PolarHBondContact NE2-O 2.88Å; R109-D124 IonicContact CZ-OD1 2.63Å; R109-D124 IonicContact NH1-OD1 2.66Å; R109-D124 PolarHBondContact NH1-OD1 2.61Å; R109-D124 IonicContact NH2-OD1 3.75Å; R109-D124 PolarHBondContact NH2-OD1 3.26Å
125D92.9Very high95.9Very high127 Ų12775.8 Ų75.868%0.67941%0.405SS*.SBendtrans-112.1166.8179.5-64.5-43.8000111.6D127D125-D127 PolarHBondContact O-N 3.16Å
126Y93.4Very high95.9Very high75 Ų7577.9 Ų77.929%0.29442%0.415SS..  trans-58.7127.6176.9-177.6-85000111K159 P160Y126-K159 HydrophobicContact CE2-CB 4.23Å; Y126-K159 HydrophobicContact CE2-CG 3.81Å; Y126-K159 VanDerWaalsContact OH-CE 3.3Å; Y126-K159 WeakPolarHBondContact OH-CE 3.25Å; Y126-K159 WeakPolarHBondContact OH-CG 3.41Å; Y126-P160 HydrophobicContact CD1-CG 4.25Å; Y126-P160 HydrophobicContact CD2-CG 4.5Å; Y126-P160 VanDerWaalsContact CG-CD 3.48Å; Y126-P160 HydrophobicContact CG-CG 3.91Å
127D95.4Very high95.9Very high10 Ų1079.7 Ų79.75%0.05342%0.423CS..  trans-101.9114-176.2-163.97.5000111.1R113 K123 D125 L129R113-D127 VanDerWaalsContact CB-OD2 3.26Å; R113-D127 WeakPolarHBondContact CB-OD2 3.47Å; R113-D127 WeakPolarHBondContact CD-OD2 3.31Å; R113-D127 IonicContact CZ-OD1 3.58Å; R113-D127 IonicContact CZ-OD2 2.82Å; R113-D127 VanDerWaalsContact NE-CG 3.32Å; R113-D127 IonicContact NE-OD1 3.51Å; R113-D127 PolarHBondContact NE-OD1 2.91Å; R113-D127 VanDerWaalsContact NE-OD1 3.17Å; R113-D127 IonicContact NE-OD2 2.76Å; R113-D127 PolarHBondContact NE-OD2 3.11Å; R113-D127 IonicContact NH2-OD1 2.81Å; R113-D127 PolarHBondContact NH2-OD1 2.86Å; R113-D127 IonicContact NH2-OD2 3.17Å; K123-D127 HydrophobicContact CD-CB 4.15Å; K123-D127 IonicContact NZ-OD1 2.89Å; K123-D127 PolarHBondContact NZ-OD1 3.1Å; K123-D127 IonicContact NZ-OD2 3.31Å; D125-D127 PolarHBondContact O-N 3.16Å; D127-L129 HydrophobicContact CB-CD2 4.39Å; D127-L129 PolarHBondContact O-N 2.87Å
128D94.9Very high96Very high87 Ų8781.7 Ų81.747%0.46543%0.429SS..  trans-77.1119.4172.3-173.323000110.4R113 T130R113-D128 PolarHBondContact NH2-O 2.88Å; D128-T130 VanDerWaalsContact CG-OG1 3.31Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.33Å; D128-T130 PolarHBondContact OD1-N 3.46Å; D128-T130 PolarHBondContact OD2-OG1 3.3Å
129L96.3Very high96Very high23 Ų2375.7 Ų75.712%0.1240%0.404CS..  trans-94.29.9-173.8-54.4178.3000113S112 R113 D127 D131 L132 L140S112-L129 VanDerWaalsContact CB-CD1 3.46Å; R113-L129 HydrophobicContact CB-CD2 4.02Å; D127-L129 HydrophobicContact CB-CD2 4.39Å; D127-L129 PolarHBondContact O-N 2.87Å; L129-D131 PolarHBondContact O-N 2.95Å; L129-L132 HydrophobicContact CB-CD1 3.97Å; L129-L132 HydrophobicContact CB-CG 4.31Å; L129-L132 HydrophobicContact CD2-CD1 4.21Å; L129-L132 HydrophobicContact CG-CD1 4.5Å; L129-L132 WeakPolarHBondContact O-CB 3.32Å; L129-L132 PolarHBondContact O-N 2.9Å; L129-L140 HydrophobicContact CD1-CD2 3.74Å
130T95.5Very high96.2Very high118 Ų11873 Ų7372%0.72439%0.39SS*.THydrogen-bonded Turntrans-65.4-16.7-179.257.10000113.7D128D128-T130 VanDerWaalsContact CG-OG1 3.31Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.33Å; D128-T130 PolarHBondContact OD1-N 3.46Å; D128-T130 PolarHBondContact OD2-OG1 3.3Å
131D97.1Very high96.3Very high102 Ų10275.4 Ų75.455%0.54539%0.393SS..THydrogen-bonded Turntrans-87-8178.669.3-30.9000113.9R113 L129R113-D131 IonicContact CZ-OD1 3.17Å; R113-D131 VanDerWaalsContact CZ-OD1 3.31Å; R113-D131 IonicContact CZ-OD2 2.83Å; R113-D131 VanDerWaalsContact NH1-CG 3.27Å; R113-D131 IonicContact NH1-OD1 2.88Å; R113-D131 PolarHBondContact NH1-OD1 2.97Å; R113-D131 IonicContact NH1-OD2 3.66Å; R113-D131 PolarHBondContact NH1-OD2 2.96Å; R113-D131 IonicContact NH2-OD1 2.61Å; R113-D131 PolarHBondContact NH2-OD1 2.7Å; R113-D131 IonicContact NH2-OD2 3.6Å; L129-D131 PolarHBondContact O-N 2.95Å
132L97.3Very high96.5Very high17 Ų1772.3 Ų72.39%0.08938%0.378CS..  trans-67.5140.1177.5-66.3-175.7000111.4A116 L129 Q136 M137 L140A116-L132 HydrophobicContact CB-CD1 3.87Å; A116-L132 HydrophobicContact CB-CD2 4.44Å; L129-L132 HydrophobicContact CB-CD1 3.97Å; L129-L132 HydrophobicContact CB-CG 4.31Å; L129-L132 HydrophobicContact CD2-CD1 4.21Å; L129-L132 HydrophobicContact CG-CD1 4.5Å; L129-L132 WeakPolarHBondContact O-CB 3.32Å; L129-L132 PolarHBondContact O-N 2.9Å; L132-Q136 HydrophobicContact CB-CB 4.08Å; L132-Q136 HydrophobicContact CD2-CB 4.23Å; L132-M137 HydrophobicContact CB-CG 3.79Å; L132-M137 HydrophobicContact CB-SD 3.83Å; L132-M137 HydrophobicContact CD1-SD 3.68Å; L132-M137 HydrophobicContact CG-SD 4.32Å; L132-L140 HydrophobicContact CD1-CD2 4.18Å
133T98.2Very high96.7Very high75 Ų7574 Ų7446%0.4638%0.381SS..  trans-67.5165.2173.870.80000111.5D135 Q136 M137T133-D135 VanDerWaalsContact C-N 3.26Å; T133-D135 PolarHBondContact O-N 3.48Å; T133-Q136 PolarHBondContact O-N 2.89Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.37Å; T133-Q136 PolarHBondContact OG1-N 2.85Å; T133-Q136 PolarHBondContact OG1-OE1 3.31Å; T133-M137 WeakPolarHBondContact O-CB 3.36Å; T133-M137 PolarHBondContact O-N 3.42Å
134A98.1Very high96.9Very high82 Ų8270.3 Ų70.368%0.67837%0.366SS*.Hα-helixtrans-56.6-40.4176.400000112.5M137 Q138A134-M137 PolarHBondContact O-N 3Å; A134-Q138 WeakPolarHBondContact O-CB 3.17Å; A134-Q138 PolarHBondContact O-N 2.75Å
135D98.2Very high97.2Very high129 Ų12970.7 Ų70.769%0.6937%0.367SS*.Hα-helixtrans-69.3-39.7178.9-63.8-20.6000112.1T133 Q138 T139T133-D135 VanDerWaalsContact C-N 3.26Å; T133-D135 PolarHBondContact O-N 3.48Å; D135-Q138 PolarHBondContact O-N 3.5Å; D135-T139 PolarHBondContact O-N 3.3Å; D135-T139 PolarHBondContact O-OG1 2.83Å
136Q98.4Very high97.4Very high56 Ų5667.8 Ų67.826%0.26235%0.349SS..Hα-helixtrans-65.7-41.5175-74170.8-28.900111.4A116 L132 T133 Q138 T139 L140A116-Q136 HydrophobicContact CB-CB 4.35Å; L132-Q136 HydrophobicContact CB-CB 4.08Å; L132-Q136 HydrophobicContact CD2-CB 4.23Å; T133-Q136 PolarHBondContact O-N 2.89Å; T133-Q136 WeakPolarHBondContact OG1-CG 3.37Å; T133-Q136 PolarHBondContact OG1-N 2.85Å; T133-Q136 PolarHBondContact OG1-OE1 3.31Å; Q136-Q138 VanDerWaalsContact C-N 3.34Å; Q136-T139 WeakPolarHBondContact O-CB 3.21Å; Q136-T139 PolarHBondContact O-N 2.75Å; Q136-L140 WeakPolarHBondContact O-CB 3.23Å; Q136-L140 PolarHBondContact O-N 3.32Å
137M98.2Very high97.6Very high41 Ų4164.5 Ų64.520%0.20234%0.337CS..Hα-helixtrans-65.1-37174.9-77.6-57.4-58.500112.4L132 T133 A134 L140 R141L132-M137 HydrophobicContact CB-CG 3.79Å; L132-M137 HydrophobicContact CB-SD 3.83Å; L132-M137 HydrophobicContact CD1-SD 3.68Å; L132-M137 HydrophobicContact CG-SD 4.32Å; T133-M137 WeakPolarHBondContact O-CB 3.36Å; T133-M137 PolarHBondContact O-N 3.42Å; A134-M137 PolarHBondContact O-N 3Å; M137-L140 HydrophobicContact CE-CD2 4.42Å; M137-L140 PolarHBondContact O-N 3.22Å; M137-L140 HydrophobicContact SD-CD2 4.23Å; M137-R141 WeakPolarHBondContact O-CG 3.33Å; M137-R141 PolarHBondContact O-N 3.29Å; M137-R141 VanDerWaalsContact O-N 3.09Å
138Q98.3Very high97.7Very high85 Ų8566.4 Ų66.440%0.39735%0.351SS..Hα-helixtrans-64.6-46.7173.7179.15535.700110.9A134 D135 Q136 L140 R141 E142A134-Q138 WeakPolarHBondContact O-CB 3.17Å; A134-Q138 PolarHBondContact O-N 2.75Å; D135-Q138 PolarHBondContact O-N 3.5Å; Q136-Q138 VanDerWaalsContact C-N 3.34Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 2.82Å; Q138-R141 PolarHBondContact O-N 2.89Å; Q138-E142 PolarHBondContact NE2-OE1 3.49Å; Q138-E142 WeakPolarHBondContact O-CG 3.39Å; Q138-E142 PolarHBondContact O-N 2.84Å; Q138-E142 VanDerWaalsContact O-N 3.08Å
139T98.2Very high97.8Very high26 Ų2668.8 Ų68.816%0.1636%0.359CS..Hα-helixtrans-55.9-44.2174.1-57.90000111.6F118 D135 Q136 R141 E142 W143F118-T139 HydrophobicContact CE1-CG2 4.31Å; F118-T139 HydrophobicContact CE2-CG2 3.68Å; F118-T139 HydrophobicContact CZ-CG2 3.48Å; F118-T139 VanDerWaalsContact CZ-CG2 3.48Å; D135-T139 PolarHBondContact O-N 3.3Å; D135-T139 PolarHBondContact O-OG1 2.83Å; Q136-T139 WeakPolarHBondContact O-CB 3.21Å; Q136-T139 PolarHBondContact O-N 2.75Å; T139-R141 PolarHBondContact O-N 3.23Å; T139-E142 WeakPolarHBondContact O-CB 3.35Å; T139-E142 PolarHBondContact O-N 3.45Å; T139-W143 PolarHBondContact O-N 3.26Å
140L98.4Very high97.8Very high0 Ų074.6 Ų74.60%038%0.379CS..Hα-helixtrans-61.9-42.2177.8178.455.7000112.7V82 N83 S112 A116 L129 L132 Q136 M137 Q138 E142 W143 E144V82-L140 HydrophobicContact CG1-CD1 4.04Å; N83-L140 HydrophobicContact CB-CD1 4.07Å; N83-L140 HydrophobicContact CB-CD2 4.12Å; N83-L140 HydrophobicContact CB-CG 3.92Å; S112-L140 WeakPolarHBondContact O-CD1 3.43Å; A116-L140 HydrophobicContact CB-CB 4.08Å; L129-L140 HydrophobicContact CD1-CD2 3.74Å; L132-L140 HydrophobicContact CD1-CD2 4.18Å; Q136-L140 WeakPolarHBondContact O-CB 3.23Å; Q136-L140 PolarHBondContact O-N 3.32Å; M137-L140 HydrophobicContact CE-CD2 4.42Å; M137-L140 PolarHBondContact O-N 3.22Å; M137-L140 HydrophobicContact SD-CD2 4.23Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 2.82Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 2.82Å; L140-W143 WeakPolarHBondContact O-CB 3.25Å; L140-W143 PolarHBondContact O-N 3.5Å; L140-E144 PolarHBondContact O-N 3.32Å
141R98.3Very high97.8Very high137 Ų13769.8 Ų69.852%0.51735%0.348SS..Hα-helixtrans-64.9-35.9177-70.8170.9-171.9157.52.7112.1M137 Q138 T139 E144 L145M137-R141 WeakPolarHBondContact O-CG 3.33Å; M137-R141 PolarHBondContact O-N 3.29Å; M137-R141 VanDerWaalsContact O-N 3.09Å; Q138-R141 PolarHBondContact O-N 2.89Å; T139-R141 PolarHBondContact O-N 3.23Å; R141-E144 PolarHBondContact O-N 3.49Å; R141-L145 PolarHBondContact O-N 3.33Å
142E98.4Very high97.8Very high93 Ų9367.4 Ų67.444%0.43534%0.335SS..Hα-helixtrans-65.1-41.7174.3-71168.9-163.700111.4Q138 T139 L140 L145 Q146Q138-E142 PolarHBondContact NE2-OE1 3.49Å; Q138-E142 WeakPolarHBondContact O-CG 3.39Å; Q138-E142 PolarHBondContact O-N 2.84Å; Q138-E142 VanDerWaalsContact O-N 3.08Å; T139-E142 WeakPolarHBondContact O-CB 3.35Å; T139-E142 PolarHBondContact O-N 3.45Å; L140-E142 VanDerWaalsContact C-N 3.31Å; L140-E142 PolarHBondContact O-N 2.82Å; E142-L145 PolarHBondContact O-N 2.93Å; E142-Q146 WeakPolarHBondContact O-CG 3.24Å; E142-Q146 PolarHBondContact O-N 3.25Å
143W98.4Very high97.7Very high70 Ų7069.7 Ų69.727%0.26535%0.345SS..Hα-helixtrans-61.7-46.6172-78.4117.2000112.2V82 L115 F118 T139 L140 L145 Q146 F147V82-W143 HydrophobicContact CG1-CB 4.35Å; L115-W143 HydrophobicContact CB-CB 4.41Å; L115-W143 HydrophobicContact CB-CD2 4.43Å; L115-W143 HydrophobicContact CB-CG 3.94Å; L115-W143 HydrophobicContact CD1-CB 4.25Å; L115-W143 HydrophobicContact CD1-CG 4.34Å; L115-W143 HydrophobicContact CD2-CD2 3.94Å; L115-W143 HydrophobicContact CD2-CE3 4.26Å; L115-W143 HydrophobicContact CD2-CG 4.29Å; L115-W143 HydrophobicContact CD2-CZ2 4.34Å; L115-W143 HydrophobicContact CG-CG 4.42Å; L115-W143 PolarHBondContact O-NE1 2.81Å; L115-W143 VanDerWaalsContact O-NE1 3.17Å; F118-W143 HydrophobicContact CE1-CZ2 4.4Å; T139-W143 PolarHBondContact O-N 3.26Å; L140-W143 WeakPolarHBondContact O-CB 3.25Å; L140-W143 PolarHBondContact O-N 3.5Å; W143-L145 VanDerWaalsContact C-N 3.28Å; W143-L145 PolarHBondContact O-N 2.93Å; W143-Q146 PolarHBondContact O-N 3.48Å; W143-F147 HydrophobicContact CE3-CE2 4.22Å; W143-F147 VanDerWaalsContact O-CD2 3.31Å; W143-F147 WeakPolarHBondContact O-CD2 3.26Å; W143-F147 PolarHBondContact O-N 3.21Å
144E98.3Very high97.5Very high30 Ų3066.3 Ų66.314%0.1433%0.325CS..Hα-helixtrans-55.7-43.3176.1-174.3-160.5147.500111.9V82 N83 K85 L140 R141 F147 S148V82-E144 HydrophobicContact CG1-CB 4.28Å; N83-E144 HydrophobicContact CB-CB 4.22Å; N83-E144 HydrophobicContact CB-CG 4.21Å; N83-E144 WeakPolarHBondContact CB-OE2 3.35Å; N83-E144 PolarHBondContact ND2-OE2 3.08Å; K85-E144 HydrophobicContact CD-CG 4.1Å; K85-E144 WeakPolarHBondContact CD-OE1 3.45Å; K85-E144 WeakPolarHBondContact CE-OE1 3.14Å; K85-E144 IonicContact NZ-OE1 3.41Å; K85-E144 PolarHBondContact NZ-OE1 2.75Å; L140-E144 PolarHBondContact O-N 3.32Å; R141-E144 PolarHBondContact O-N 3.49Å; E144-F147 PolarHBondContact O-N 2.79Å; E144-S148 WeakPolarHBondContact O-CB 3.49Å; E144-S148 PolarHBondContact O-N 2.92Å; E144-S148 PolarHBondContact O-OG 3.5Å
145L98.1Very high97.4Very high102 Ų10262.4 Ų62.453%0.53429%0.292SS..Hα-helixtrans-62.5-49176.4-179.661.8000111.3R141 E142 W143 F147 S148 E149R141-L145 PolarHBondContact O-N 3.33Å; E142-L145 PolarHBondContact O-N 2.93Å; W143-L145 VanDerWaalsContact C-N 3.28Å; W143-L145 PolarHBondContact O-N 2.93Å; L145-F147 VanDerWaalsContact C-N 3.29Å; L145-F147 PolarHBondContact O-N 3.41Å; L145-S148 WeakPolarHBondContact O-CB 3.3Å; L145-S148 PolarHBondContact O-N 3.37Å; L145-S148 VanDerWaalsContact O-N 3.11Å; L145-E149 WeakPolarHBondContact O-CG 3.45Å; L145-E149 PolarHBondContact O-N 2.83Å
146Q97.8Very high97.3Very high66 Ų6658.7 Ų58.731%0.30827%0.268SS..Hα-helixtrans-60.8-37.9177.8-70.6178.43700112.6E142 W143 R150E142-Q146 WeakPolarHBondContact O-CG 3.24Å; E142-Q146 PolarHBondContact O-N 3.25Å; W143-Q146 PolarHBondContact O-N 3.48Å; Q146-R150 WeakPolarHBondContact O-CB 3.49Å; Q146-R150 VanDerWaalsContact O-CG 3.28Å; Q146-R150 WeakPolarHBondContact O-CG 3.29Å; Q146-R150 PolarHBondContact O-N 2.84Å
147F98.1Very high97.2Very high5 Ų556.4 Ų56.42%0.02226%0.258CS..Hα-helixtrans-66.6-42.3174.8-91.7-108.2000111.2I80 V82 F87 V89 Y97 L115 W143 E144 L145 E149 R150 Y151I80-F147 HydrophobicContact CB-CE1 4.36Å; I80-F147 HydrophobicContact CD1-CE1 4.44Å; I80-F147 HydrophobicContact CG2-CE1 4.23Å; V82-F147 HydrophobicContact CG2-CD1 3.82Å; V82-F147 HydrophobicContact CG2-CD2 4.15Å; V82-F147 HydrophobicContact CG2-CE1 3.83Å; V82-F147 HydrophobicContact CG2-CE2 4.14Å; V82-F147 HydrophobicContact CG2-CG 3.98Å; V82-F147 HydrophobicContact CG2-CZ 3.98Å; F87-F147 HydrophobicContact CB-CD1 4.11Å; F87-F147 HydrophobicContact CD1-CB 4.2Å; F87-F147 HydrophobicContact CD2-CB 3.9Å; F87-F147 AromaticContact CD2-CD1 3.93Å; F87-F147 HydrophobicContact CD2-CD1 3.93Å; F87-F147 HydrophobicContact CD2-CG 4.31Å; F87-F147 HydrophobicContact CE1-CB 4.17Å; F87-F147 HydrophobicContact CE2-CB 3.86Å; F87-F147 HydrophobicContact CG-CB 4.07Å; F87-F147 HydrophobicContact CG-CD1 4.06Å; F87-F147 HydrophobicContact CZ-CB 3.99Å; V89-F147 HydrophobicContact CG1-CD1 4.44Å; V89-F147 HydrophobicContact CG1-CE1 4.13Å; Y97-F147 HydrophobicContact CE1-CZ 4.37Å; Y97-F147 WeakPolarHBondContact OH-CZ 3.25Å; L115-F147 HydrophobicContact CD1-CE2 4.09Å; L115-F147 HydrophobicContact CD1-CZ 4.39Å; W143-F147 HydrophobicContact CE3-CE2 4.22Å; W143-F147 VanDerWaalsContact O-CD2 3.31Å; W143-F147 WeakPolarHBondContact O-CD2 3.26Å; W143-F147 PolarHBondContact O-N 3.21Å; E144-F147 PolarHBondContact O-N 2.79Å; L145-F147 VanDerWaalsContact C-N 3.29Å; L145-F147 PolarHBondContact O-N 3.41Å; F147-E149 VanDerWaalsContact C-N 3.31Å; F147-E149 PolarHBondContact O-N 3.37Å; F147-R150 PolarHBondContact O-N 3.43Å; F147-Y151 HydrophobicContact CB-CD2 4.3Å; F147-Y151 AromaticContact CD1-CD2 3.57Å; F147-Y151 HydrophobicContact CD1-CD2 3.57Å; F147-Y151 AromaticContact CD1-CE2 3.91Å; F147-Y151 HydrophobicContact CD1-CE2 3.91Å; F147-Y151 HydrophobicContact CE1-CD2 4.09Å; F147-Y151 HydrophobicContact CE1-CE2 4.03Å; F147-Y151 HydrophobicContact CG-CD2 4.01Å; F147-Y151 HydrophobicContact CG-CE2 4.29Å; F147-Y151 WeakPolarHBondContact O-CB 3.21Å; F147-Y151 PolarHBondContact O-N 3.26Å
148S97.3Very high97.1Very high50 Ų5054.8 Ų54.835%0.3525%0.25SS..Hα-helixtrans-64.1-33.7177.6-570000113.2F87 E144 L145F87-S148 WeakPolarHBondContact CE1-OG 3.25Å; F87-S148 WeakPolarHBondContact CZ-OG 3.25Å; E144-S148 WeakPolarHBondContact O-CB 3.49Å; E144-S148 PolarHBondContact O-N 2.92Å; E144-S148 PolarHBondContact O-OG 3.5Å; L145-S148 WeakPolarHBondContact O-CB 3.3Å; L145-S148 PolarHBondContact O-N 3.37Å; L145-S148 VanDerWaalsContact O-N 3.11Å
149E97.2Very high96.9Very high137 Ų13756.5 Ų56.564%0.6426%0.256SS*.Hα-helixtrans-74-31.9175.5-71.1176.7173.500112.8L145 F147L145-E149 WeakPolarHBondContact O-CG 3.45Å; L145-E149 PolarHBondContact O-N 2.83Å; F147-E149 VanDerWaalsContact C-N 3.31Å; F147-E149 PolarHBondContact O-N 3.37Å
150R95.6Very high96.7Very high145 Ų14560.3 Ų60.355%0.54728%0.281SS..Hα-helixtrans-97.5-36.4-170.8-69.1-179.7-176.2-167.85.1113.6K92 Q146 F147K92-R150 WeakPolarHBondContact CD-O 3.33Å; K92-R150 PolarHBondContact NZ-O 3.44Å; Q146-R150 WeakPolarHBondContact O-CB 3.49Å; Q146-R150 VanDerWaalsContact O-CG 3.28Å; Q146-R150 WeakPolarHBondContact O-CG 3.29Å; Q146-R150 PolarHBondContact O-N 2.84Å; F147-R150 PolarHBondContact O-N 3.43Å
151Y96.8Very high96.3Very high18 Ų1864.3 Ų64.37%0.07132%0.323CS..SBendtrans-121156.4-168.2-55.8-63.8000111.6V89 K92 Y97 F147 H153V89-Y151 HydrophobicContact CB-CD1 3.95Å; V89-Y151 HydrophobicContact CB-CE1 3.99Å; V89-Y151 HydrophobicContact CB-CG 4.32Å; V89-Y151 HydrophobicContact CG1-CD1 3.84Å; V89-Y151 HydrophobicContact CG1-CD2 3.77Å; V89-Y151 HydrophobicContact CG1-CE1 4.09Å; V89-Y151 HydrophobicContact CG1-CE2 4.01Å; V89-Y151 HydrophobicContact CG1-CG 3.69Å; K92-Y151 HydrophobicContact CB-CD1 4.05Å; K92-Y151 HydrophobicContact CB-CE1 3.75Å; Y97-Y151 HydrophobicContact CE2-CE2 4.22Å; Y97-Y151 AromaticContact CE2-CZ 3.8Å; Y97-Y151 WeakPolarHBondContact CE2-OH 3.41Å; Y97-Y151 PolarHBondContact OH-OH 2.96Å; F147-Y151 HydrophobicContact CB-CD2 4.3Å; F147-Y151 AromaticContact CD1-CD2 3.57Å; F147-Y151 HydrophobicContact CD1-CD2 3.57Å; F147-Y151 AromaticContact CD1-CE2 3.91Å; F147-Y151 HydrophobicContact CD1-CE2 3.91Å; F147-Y151 HydrophobicContact CE1-CD2 4.09Å; F147-Y151 HydrophobicContact CE1-CE2 4.03Å; F147-Y151 HydrophobicContact CG-CD2 4.01Å; F147-Y151 HydrophobicContact CG-CE2 4.29Å; F147-Y151 WeakPolarHBondContact O-CB 3.21Å; F147-Y151 PolarHBondContact O-N 3.26Å; Y151-H153 PolarHBondContact O-N 2.84Å
152D95.4Very high96Very high51 Ų5160.5 Ų60.527%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-74.6125.1178.2-64.8-62.8000109.2K55 F87 D88 I154K55-D152 IonicContact NZ-OD1 3.56Å; K55-D152 PolarHBondContact NZ-OD1 2.9Å; K55-D152 IonicContact NZ-OD2 3.97Å; F87-D152 WeakPolarHBondContact CA-O 3.17Å; D88-D152 PolarHBondContact N-O 3.28Å; D152-I154 HydrophobicContact CB-CD1 4.24Å; D152-I154 PolarHBondContact O-N 3.46Å
153H96.1Very high95.6Very high65 Ų6560.7 Ų60.730%0.30132%0.32SS..EExtended strand (participates in β ladder)trans-79.4116.4174.6173.1-127.8000110.5I86 F87 Y151 G155I86-H153 PolarHBondContact O-CD2 3.35Å; F87-H153 HydrophobicContact CD1-CB 4.16Å; F87-H153 HydrophobicContact CE1-CB 3.95Å; Y151-H153 PolarHBondContact O-N 2.84Å; H153-G155 PolarHBondContact NE2-O 3.37Å; H153-G155 VanDerWaalsContact NE2-O 3.09Å
154I94.3Very high95.3Very high5 Ų561.2 Ų61.23%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-95.7-33.8-173-54.3-54.3000112M56 G57 R58 R59 F61 L79 I86 D88 D152M56-I154 HydrophobicContact CB-CD1 4.15Å; M56-I154 HydrophobicContact CG-CG2 4.17Å; M56-I154 HydrophobicContact SD-CG2 4.18Å; G57-I154 WeakPolarHBondContact O-CG2 3.49Å; R58-I154 CarbonylContact C-O 3.42Å; R58-I154 WeakPolarHBondContact CA-O 3.38Å; R58-I154 VanDerWaalsContact CB-O 3.23Å; R58-I154 WeakPolarHBondContact CB-O 3.45Å; R58-I154 WeakPolarHBondContact CG-O 3.34Å; R59-I154 PolarHBondContact N-O 3.12Å; F61-I154 HydrophobicContact CE2-CG2 3.81Å; F61-I154 HydrophobicContact CZ-CG2 4.29Å; L79-I154 HydrophobicContact CD2-CG1 4.45Å; I86-I154 HydrophobicContact CG2-CB 4.33Å; I86-I154 PolarHBondContact O-N 2.87Å; D88-I154 HydrophobicContact CB-CD1 3.78Å; D88-I154 HydrophobicContact CB-CG1 3.68Å; D152-I154 HydrophobicContact CB-CD1 4.24Å; D152-I154 PolarHBondContact O-N 3.46Å
155G95.3Very high94.8Very high0 Ų067.1 Ų67.10%035%0.347CS..EExtended strand (participates in β ladder)trans163.7-150.7-179.200000111.8R59 I86 H153R59-G155 WeakPolarHBondContact O-CA 3.46Å; I86-G155 PolarHBondContact N-O 2.94Å; H153-G155 PolarHBondContact NE2-O 3.37Å; H153-G155 VanDerWaalsContact NE2-O 3.09Å
156R96.1Very high94Very high50 Ų5068.9 Ų68.919%0.18936%0.361CS..EExtended strand (participates in β ladder)trans-117.8147.3-172-50.5171.4-60.5132.413111.7D60 F61 G84 I86 E162 R165D60-R156 WeakPolarHBondContact CA-O 3.07Å; D60-R156 VanDerWaalsContact OD1-CB 3.25Å; D60-R156 WeakPolarHBondContact OD1-CB 3.3Å; D60-R156 IonicContact OD1-CZ 3.74Å; D60-R156 PolarHBondContact OD1-N 2.93Å; D60-R156 VanDerWaalsContact OD1-N 3.09Å; D60-R156 IonicContact OD1-NE 3.13Å; D60-R156 PolarHBondContact OD1-NE 2.97Å; D60-R156 VanDerWaalsContact OD1-NE 3.13Å; D60-R156 IonicContact OD1-NH2 3.57Å; D60-R156 IonicContact OD2-CZ 3.65Å; D60-R156 IonicContact OD2-NE 3.72Å; D60-R156 IonicContact OD2-NH2 2.76Å; D60-R156 PolarHBondContact OD2-NH2 3.41Å; F61-R156 PolarHBondContact N-O 3.01Å; G84-R156 CarbonylContact O-C 3.44Å; G84-R156 VanDerWaalsContact O-CA 3.28Å; G84-R156 WeakPolarHBondContact O-CA 3.28Å; I86-R156 VanDerWaalsContact CD1-C 3.5Å; I86-R156 WeakPolarHBondContact CD1-O 3.26Å; R156-E162 IonicContact CZ-OE1 3.39Å; R156-E162 IonicContact NH1-OE1 2.7Å; R156-E162 PolarHBondContact NH1-OE1 3.49Å; R156-E162 IonicContact NH2-OE1 3.16Å; R156-E162 PolarHBondContact NH2-OE1 3.34Å; R156-E162 VanDerWaalsContact NH2-OE1 3.16Å; R156-R165 VanDerWaalsContact CZ-NE 3.31Å; R156-R165 VanDerWaalsContact NH1-NH2 3.15Å; R156-R165 VanDerWaalsContact NH2-CG 3.31Å
157L97.1Very high93.2Very high9 Ų969 Ų695%0.04736%0.359CS..BIsolated β-bridgetrans-78.4118.8166.4-177.865.3000108.2L63 L66 A81 G84 I86 D110L63-L157 HydrophobicContact CB-CD1 4.17Å; L66-L157 HydrophobicContact CD2-CD1 4.14Å; A81-L157 HydrophobicContact CB-CB 4.09Å; A81-L157 HydrophobicContact CB-CD2 3.82Å; A81-L157 HydrophobicContact CB-CG 4.4Å; G84-L157 PolarHBondContact O-N 3.13Å; I86-L157 HydrophobicContact CD1-CB 4.26Å; I86-L157 HydrophobicContact CG1-CB 4.28Å; D110-L157 HydrophobicContact CB-CD2 3.78Å; D110-L157 WeakPolarHBondContact OD2-CD2 3.45Å
158L96Very high92Very high6 Ų676.8 Ų76.83%0.03140%0.396CS..PPolyproline II helixtrans-74.8135.3-178.5-64.6175.1000110.8D60 F61 T62 E162 H164D60-L158 HydrophobicContact CB-CD1 4.01Å; D60-L158 HydrophobicContact CB-CD2 3.81Å; D60-L158 HydrophobicContact CB-CG 3.89Å; F61-L158 PolarHBondContact O-N 3.34Å; T62-L158 HydrophobicContact CG2-CD1 4.2Å; L158-E162 HydrophobicContact CB-CB 4.36Å; L158-E162 HydrophobicContact CD2-CB 4.12Å; L158-E162 HydrophobicContact CD2-CG 3.9Å; L158-H164 HydrophobicContact CD1-CB 4.41Å
159K94.6Very high90.5Very high121 Ų12180.2 Ų80.253%0.52642%0.415SS..PPolyproline II helixtrans-67.4155.5166.7-61.2-169.3174.2-175.70110.2Y126 G161 E162Y126-K159 HydrophobicContact CE2-CB 4.23Å; Y126-K159 HydrophobicContact CE2-CG 3.81Å; Y126-K159 VanDerWaalsContact OH-CE 3.3Å; Y126-K159 WeakPolarHBondContact OH-CE 3.25Å; Y126-K159 WeakPolarHBondContact OH-CG 3.41Å; K159-G161 PolarHBondContact O-N 3.37Å; K159-E162 HydrophobicContact CB-CB 4.33Å; K159-E162 PolarHBondContact O-N 3.41Å
160P92.6Very high88.6Confident106 Ų10680.1 Ų80.169%0.68842%0.418SS*.THydrogen-bonded Turntrans-52.6115.9172.6-25.935000110.7Y126Y126-P160 HydrophobicContact CD1-CG 4.25Å; Y126-P160 HydrophobicContact CD2-CG 4.5Å; Y126-P160 VanDerWaalsContact CG-CD 3.48Å; Y126-P160 HydrophobicContact CG-CG 3.91Å
161G90.9Very high86.5Confident85 Ų8580.8 Ų80.888%0.87643%0.433SS*.THydrogen-bonded Turntrans88.9-2-178.900000116.7K159K159-G161 PolarHBondContact O-N 3.37Å
162E91.7Very high84.2Confident56 Ų5682.1 Ų82.126%0.26245%0.452SS..PPolyproline II helixtrans-74.9131.7172.3-169.6179.3167.800110.4R156 L158 K159R156-E162 IonicContact CZ-OE1 3.39Å; R156-E162 IonicContact NH1-OE1 2.7Å; R156-E162 PolarHBondContact NH1-OE1 3.49Å; R156-E162 IonicContact NH2-OE1 3.16Å; R156-E162 PolarHBondContact NH2-OE1 3.34Å; R156-E162 VanDerWaalsContact NH2-OE1 3.16Å; L158-E162 HydrophobicContact CB-CB 4.36Å; L158-E162 HydrophobicContact CD2-CB 4.12Å; L158-E162 HydrophobicContact CD2-CG 3.9Å; K159-E162 HydrophobicContact CB-CB 4.33Å; K159-E162 PolarHBondContact O-N 3.41Å
163P90.4Very high82.1Confident97 Ų9788.3 Ų88.363%0.6348%0.479SS*.PPolyproline II helixtrans-75.1147.4177.230.5-34.7000111.8R165P163-R165 PolarHBondContact O-N 3.25Å
164H91.3Very high79.8Confident81 Ų8192.3 Ų92.338%0.37550%0.503SS..PPolyproline II helixtrans-59.2131.8169.1-64.475.6000110.8D60 E65 L158D60-H164 PolarHBondContact O-CD2 2.9Å; D60-H164 VanDerWaalsContact O-CD2 3.27Å; E65-H164 IonicContact OE1-NE2 2.88Å; E65-H164 IonicContact OE2-CD2 3.82Å; E65-H164 IonicContact OE2-CE1 3.7Å; E65-H164 IonicContact OE2-NE2 2.78Å; E65-H164 PolarHBondContact OE2-NE2 3.46Å; L158-H164 HydrophobicContact CD1-CB 4.41Å
165R88Confident77.4Confident154 Ų15497.7 Ų97.758%0.58153%0.532SS*.PPolyproline II helixtrans-80.3142.8169-67.7-178-173174.84110.3D60 R156 P163 Y167D60-R165 WeakPolarHBondContact OD2-CB 3.24Å; D60-R165 PolarHBondContact OD2-N 3.24Å; R156-R165 VanDerWaalsContact CZ-NE 3.31Å; R156-R165 VanDerWaalsContact NH1-NH2 3.15Å; R156-R165 VanDerWaalsContact NH2-CG 3.31Å; P163-R165 PolarHBondContact O-N 3.25Å; R165-Y167 HydrophobicContact CB-CE2 4.49Å; R165-Y167 WeakPolarHBondContact O-CD2 3.23Å; R165-Y167 PolarHBondContact O-N 2.92Å
166V81.9Confident75Confident139 Ų139103.4 Ų103.484%0.84257%0.567SS**PPolyproline II helixtrans-80.5118.8169.5-177.90000107.7
167Y80.7Confident72.2Confident69 Ų69103.7 Ų103.727%0.27159%0.585SS.*PPolyproline II helixtrans-88.3119.3169.2-66.2-89.5000107.5R58 D60 R165 V169R58-Y167 HydrophobicContact CB-CD1 3.78Å; R58-Y167 HydrophobicContact CB-CD2 4.47Å; R58-Y167 HydrophobicContact CB-CE1 4.15Å; R58-Y167 HydrophobicContact CB-CG 3.94Å; D60-Y167 HydrophobicContact CB-CE2 4.49Å; D60-Y167 PolarHBondContact OD1-OH 2.93Å; R165-Y167 HydrophobicContact CB-CE2 4.49Å; R165-Y167 WeakPolarHBondContact O-CD2 3.23Å; R165-Y167 PolarHBondContact O-N 2.92Å; Y167-V169 PolarHBondContact O-N 3.45Å
168E73.3Confident69.4Low168 Ų168108.9 Ų108.979%0.78562%0.617SS**PPolyproline II helixtrans-65.3124.3168.7-66.6-17417200107.9N170E168-N170 PolarHBondContact O-N 3.07Å
169V64.9Low66.7Low123 Ų123116 Ų11675%0.74566%0.655SS**  trans-72.185.5173.6-175.30000106.4Y167 D171Y167-V169 PolarHBondContact O-N 3.45Å; V169-D171 PolarHBondContact O-N 2.68Å
170N56.9Low64Low134 Ų134117.4 Ų117.472%0.71766%0.663SS**  trans-75.5114.2163.4-98.5-24.2000106.8E168 G172E168-N170 PolarHBondContact O-N 3.07Å; N170-G172 PolarHBondContact O-N 3.04Å
171D52.2Low61.7Low160 Ų160118.9 Ų118.986%0.85667%0.67SS**SBendtrans-69.234.8-179.8-66-40.4000113.4V169V169-D171 PolarHBondContact O-N 2.68Å
172G49.7Very low59.2Low46 Ų46122.3 Ų122.347%0.47466%0.663SS.*SBendtrans-168.6119.9-177.500000112.8N170N170-G172 PolarHBondContact O-N 3.04Å
173E50.6Low56.6Low181 Ų181125.3 Ų125.385%0.84669%0.69SS**SBendtrans36.4109140.2-65168.5159.700117.7
174D46.5Very low54.4Low149 Ų149125.5 Ų125.580%0.79770%0.7SS**  trans69.968.7141.7-40.6-14.5000118.6V176D174-V176 PolarHBondContact O-N 2.94Å; D174-V176 VanDerWaalsContact O-N 3.08Å
175D43.9Very low52.1Low117 Ų117130.1 Ų130.163%0.62673%0.727SS**  trans-76.294.1163.4-175.637.2000111.4G177D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 3.36Å; D175-G177 VanDerWaalsContact O-N 3.16Å
176V46.2Very low50.2Low121 Ų121134.2 Ų134.273%0.73374%0.742SS**  trans-7190.2154.6173.10000107D174 T178D174-V176 PolarHBondContact O-N 2.94Å; D174-V176 VanDerWaalsContact O-N 3.08Å; V176-T178 PolarHBondContact O-N 3.27Å; V176-T178 PolarHBondContact O-OG1 2.72Å
177G37.3Very low48.6Very low55 Ų55137.6 Ų137.657%0.56775%0.746SS**  trans-56.198172.600000110.8D175 N179D175-G177 VanDerWaalsContact C-N 3.29Å; D175-G177 PolarHBondContact O-N 3.36Å; D175-G177 VanDerWaalsContact O-N 3.16Å; G177-N179 PolarHBondContact O-N 2.92Å
178T38.4Very low47Very low118 Ų118144 Ų14472%0.72478%0.775SS**  trans-77.7116.7172.7-51.60000107.3V176 H180V176-T178 PolarHBondContact O-N 3.27Å; V176-T178 PolarHBondContact O-OG1 2.72Å; T178-H180 PolarHBondContact O-N 3.08Å
179N38.1Very low45.9Very low155 Ų155142.8 Ų142.883%0.82978%0.779SS**  trans-64.194.9170.3-73.9-48.8000109.3G177G177-N179 PolarHBondContact O-N 2.92Å
180H38.7Very low45.4Very low152 Ų152147 Ų14770%0.70481%0.805SS**  trans-113.682164.8-147.959.9000109.8T178T178-H180 PolarHBondContact O-N 3.08Å
181V44.5Very low44.8Very low137 Ų137147.7 Ų147.783%0.8381%0.809SS**  trans-100.978.8163.6-171.70000107.3
182Q37.2Very low44.4Very low156 Ų156147 Ų14773%0.72981%0.807SS**  trans-145.6128.3160.3-77.8-165.3-16.100111.7
183S37.6Very low44.1Very low119 Ų119152.6 Ų152.683%0.83283%0.825SS**  trans76.575.1151.875.90000119.3
184A44.4Very low43.7Very low102 Ų102150.9 Ų150.984%0.84382%0.824SS**  trans-14450.915200000111.7
185L44.1Very low43.6Very low178 Ų178151.1 Ų151.193%0.93283%0.826SS**  trans-134.863.4168.1-145.885.6000110.2
186R47.4Very low43.5Very low240 Ų240153.3 Ų153.391%0.90684%0.839SS**  trans-155.279.8167.1-155.4179.5-172.7-161.22.3110.6
187K48.1Very low43.4Very low210 Ų210155.6 Ų155.691%0.91385%0.846SS**  trans-17673.5155.4-102.6169.6-170.2-173.30110
188K47.4Very low43.8Very low204 Ų204163.4 Ų163.489%0.88787%0.868SS**  trans-159.659.6155.9-126.4174.3-177.8-179.40109.9
189V50.3Low44.3Very low142 Ų142167.2 Ų167.286%0.86188%0.88SS**  trans-14682.2160.3-178.20000106.3
190T53.6Low44.8Very low211 Ų211168.3 Ų168.3100%1.29489%0.885SS**  trans-167.50147.1-49.80000104.5

Retrieved 190 of 190 residues in 175.5 ms (Link to these results)

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