A0A060WCR9_ONCMY Loading...

INO80 complex subunit E N-terminal domain-containing protein

AlphaFold DB (A0A1S3RX78), UniProt , Accession A0A060WCR9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 232 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
1M41Very low60.3Low235 Ų235138.6 Ų138.6100%1.15874%0.74SS**  096.40-76.2131.476.300107.3G3M1-G3 PolarHBondContact O-N 3.44Å
2N46.2Very low63.2Low176 Ų176140.8 Ų140.894%0.94174%0.737SS**  trans-78.282.8174.3-77.83.3000107.5Q4N2-Q4 PolarHBondContact O-N 3.35Å
3G52Low65.7Low66 Ų66136.8 Ų136.868%0.6871%0.713SS**  trans-67.398.7169.500000108.5M1 A5M1-G3 PolarHBondContact O-N 3.44Å; G3-A5 PolarHBondContact O-N 3.07Å
4Q43.6Very low67.9Low160 Ų160135.6 Ų135.675%0.74870%0.699SS**  50.262.6126.7-140.6148.2-13.200114.7N2 D6N2-Q4 PolarHBondContact O-N 3.35Å; Q4-D6 HydrophobicContact CG-CB 3.98Å; Q4-D6 PolarHBondContact O-N 3.09Å
5A47.6Very low69.8Low96 Ų96136.3 Ų136.379%0.79369%0.691SS**  trans-72.945.1149.700000109.7G3 M7G3-A5 PolarHBondContact O-N 3.07Å; A5-M7 PolarHBondContact O-N 2.99Å
6D51.4Low71.6Confident130 Ų130135.6 Ų135.670%0.69568%0.681SS**  trans-64.190.4153.6-110.1-27.9000103.1Q4 E8Q4-D6 HydrophobicContact CG-CB 3.98Å; Q4-D6 PolarHBondContact O-N 3.09Å; D6-E8 PolarHBondContact O-N 2.96Å
7M55Low73.1Confident160 Ų160130.8 Ų130.879%0.78866%0.658SS**  trans-35.2111.8174.1-60177.567.700106.5A5 V9A5-M7 PolarHBondContact O-N 2.99Å; M7-V9 WeakPolarHBondContact O-CA 3.44Å; M7-V9 VanDerWaalsContact O-CG2 3.26Å; M7-V9 WeakPolarHBondContact O-CG2 3.48Å; M7-V9 PolarHBondContact O-N 3.21Å
8E63.4Low74.5Confident194 Ų194129.9 Ų129.991%0.90766%0.655SS**  trans-52.899.4176.5-175.5166.9-169.300106.3D6 D10D6-E8 PolarHBondContact O-N 2.96Å; E8-D10 PolarHBondContact O-N 3.43Å
9V79.3Confident75.8Confident38 Ų38128.6 Ų128.623%0.2365%0.645CS.*  trans-71.7113.4-168.4161.30000103.7M7 Y11 K14M7-V9 WeakPolarHBondContact O-CA 3.44Å; M7-V9 VanDerWaalsContact O-CG2 3.26Å; M7-V9 WeakPolarHBondContact O-CG2 3.48Å; M7-V9 PolarHBondContact O-N 3.21Å; V9-Y11 HydrophobicContact CB-CD1 4.5Å; V9-Y11 HydrophobicContact CB-CD2 4.05Å; V9-Y11 HydrophobicContact CB-CE1 4.12Å; V9-Y11 HydrophobicContact CB-CE2 3.62Å; V9-Y11 HydrophobicContact CB-CG 4.46Å; V9-Y11 HydrophobicContact CG1-CD1 3.56Å; V9-Y11 HydrophobicContact CG1-CD2 3.83Å; V9-Y11 HydrophobicContact CG1-CE1 3.48Å; V9-Y11 VanDerWaalsContact CG1-CE1 3.48Å; V9-Y11 HydrophobicContact CG1-CE2 3.74Å; V9-Y11 HydrophobicContact CG1-CG 3.74Å; V9-Y11 WeakPolarHBondContact O-CD2 3.13Å; V9-Y11 WeakPolarHBondContact O-CE2 3.44Å; V9-Y11 PolarHBondContact O-N 3.09Å; V9-K14 HydrophobicContact CG1-CD 3.41Å; V9-K14 VanDerWaalsContact CG1-CD 3.41Å; V9-K14 HydrophobicContact CG1-CG 4.3Å; V9-K14 VanDerWaalsContact CG2-NZ 3.28Å
10D88.7Confident76.9Confident95 Ų95128.8 Ų128.851%0.50864%0.637SS.*  trans-69.184.6170.2-175.4-5.3000108.5E8 K12 Q13 K14E8-D10 PolarHBondContact O-N 3.43Å; D10-K12 PolarHBondContact O-N 3.35Å; D10-K12 VanDerWaalsContact OD1-CB 3.27Å; D10-K12 WeakPolarHBondContact OD1-CB 3.32Å; D10-K12 PolarHBondContact OD1-N 3.04Å; D10-K12 VanDerWaalsContact OD1-N 3.09Å; D10-Q13 HydrophobicContact CB-CB 3.97Å; D10-Q13 VanDerWaalsContact CG-CB 3.4Å; D10-Q13 PolarHBondContact O-N 3.45Å; D10-Q13 VanDerWaalsContact O-N 3.16Å; D10-Q13 PolarHBondContact OD1-N 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CB 3.27Å; D10-K14 PolarHBondContact O-N 3.39Å
11Y95.4Very high78Confident175 Ų175129.2 Ų129.269%0.68664%0.636SS**Hα-helixtrans-61.7-29.3179.9-71.9-76.3000110.9V9 K14 Y15V9-Y11 HydrophobicContact CB-CD1 4.5Å; V9-Y11 HydrophobicContact CB-CD2 4.05Å; V9-Y11 HydrophobicContact CB-CE1 4.12Å; V9-Y11 HydrophobicContact CB-CE2 3.62Å; V9-Y11 HydrophobicContact CB-CG 4.46Å; V9-Y11 HydrophobicContact CG1-CD1 3.56Å; V9-Y11 HydrophobicContact CG1-CD2 3.83Å; V9-Y11 HydrophobicContact CG1-CE1 3.48Å; V9-Y11 VanDerWaalsContact CG1-CE1 3.48Å; V9-Y11 HydrophobicContact CG1-CE2 3.74Å; V9-Y11 HydrophobicContact CG1-CG 3.74Å; V9-Y11 WeakPolarHBondContact O-CD2 3.13Å; V9-Y11 WeakPolarHBondContact O-CE2 3.44Å; V9-Y11 PolarHBondContact O-N 3.09Å; Y11-K14 PolarHBondContact O-N 3.21Å; Y11-Y15 VanDerWaalsContact O-CB 3.28Å; Y11-Y15 WeakPolarHBondContact O-CB 3.5Å; Y11-Y15 PolarHBondContact O-N 3.37Å
12K94.6Very high80.7Confident164 Ų164123 Ų12371%0.71361%0.606SS**Hα-helixtrans-66.8-44.1176.3-165.3176-176.81770110.2D10 K16D10-K12 PolarHBondContact O-N 3.35Å; D10-K12 VanDerWaalsContact OD1-CB 3.27Å; D10-K12 WeakPolarHBondContact OD1-CB 3.32Å; D10-K12 PolarHBondContact OD1-N 3.04Å; D10-K12 VanDerWaalsContact OD1-N 3.09Å; K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.04Å
13Q96Very high83.2Confident89 Ų89121.6 Ų121.642%0.41659%0.592SS.*Hα-helixtrans-69.9-40.9175.2-179.566.7-1800112.8D10 Y15 K16 N17D10-Q13 HydrophobicContact CB-CB 3.97Å; D10-Q13 VanDerWaalsContact CG-CB 3.4Å; D10-Q13 PolarHBondContact O-N 3.45Å; D10-Q13 VanDerWaalsContact O-N 3.16Å; D10-Q13 PolarHBondContact OD1-N 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CB 3.27Å; Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 3.35Å; Q13-K16 PolarHBondContact O-N 2.83Å; Q13-N17 WeakPolarHBondContact O-CB 3.28Å; Q13-N17 PolarHBondContact O-N 3.24Å; Q13-N17 PolarHBondContact O-ND2 3.05Å
14K96.4Very high85.4Confident121 Ų121124.5 Ų124.553%0.52659%0.586SS.*Hα-helixtrans-58.6-43.4173.7-74.6-170.7-179.6171.10111.4V9 D10 Y11 N17 L18V9-K14 HydrophobicContact CG1-CD 3.41Å; V9-K14 VanDerWaalsContact CG1-CD 3.41Å; V9-K14 HydrophobicContact CG1-CG 4.3Å; V9-K14 VanDerWaalsContact CG2-NZ 3.28Å; D10-K14 PolarHBondContact O-N 3.39Å; Y11-K14 PolarHBondContact O-N 3.21Å; K14-N17 PolarHBondContact O-N 3.41Å; K14-L18 WeakPolarHBondContact O-CB 2.96Å; K14-L18 PolarHBondContact O-N 3.5Å
15Y97.2Very high88Confident146 Ų146121.9 Ų121.957%0.57358%0.577SS**Hα-helixtrans-61.8-47.9175.6173.6-98.6000112.2Y11 Q13 N17 L18 K19Y11-Y15 VanDerWaalsContact O-CB 3.28Å; Y11-Y15 WeakPolarHBondContact O-CB 3.5Å; Y11-Y15 PolarHBondContact O-N 3.37Å; Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 3.35Å; Y15-N17 VanDerWaalsContact C-N 3.29Å; Y15-N17 PolarHBondContact O-N 2.9Å; Y15-L18 PolarHBondContact O-N 2.96Å; Y15-K19 HydrophobicContact CE1-CD 4.16Å; Y15-K19 WeakPolarHBondContact O-CB 3.42Å; Y15-K19 PolarHBondContact O-N 3.29Å
16K98Very high90.4Very high124 Ų124120.6 Ų120.654%0.53956%0.559SS.*Hα-helixtrans-56.9-43.7176.5-79.8179133.4-178.60112K12 Q13 R20K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.04Å; Q13-K16 PolarHBondContact O-N 2.83Å; K16-R20 PolarHBondContact O-N 3.18Å
17N97.7Very high92.7Very high54 Ų54121.6 Ų121.629%0.28955%0.554SS.*Hα-helixtrans-66.4-44.8177.3-77-41.2000112.2Q13 K14 Y15 K19 R20 K21Q13-N17 WeakPolarHBondContact O-CB 3.28Å; Q13-N17 PolarHBondContact O-N 3.24Å; Q13-N17 PolarHBondContact O-ND2 3.05Å; K14-N17 PolarHBondContact O-N 3.41Å; Y15-N17 VanDerWaalsContact C-N 3.29Å; Y15-N17 PolarHBondContact O-N 2.9Å; N17-K19 PolarHBondContact O-N 2.89Å; N17-R20 PolarHBondContact O-N 3.16Å; N17-R20 PolarHBondContact OD1-NH1 2.71Å; N17-K21 WeakPolarHBondContact O-CG 3.33Å; N17-K21 PolarHBondContact O-N 2.82Å
18L98.5Very high94.7Very high116 Ų116118.2 Ų118.261%0.60754%0.536SS*.Hα-helixtrans-62.3-43.3177.3-174.361.8000111.4K14 Y15 R20 K21 L22K14-L18 WeakPolarHBondContact O-CB 2.96Å; K14-L18 PolarHBondContact O-N 3.5Å; Y15-L18 PolarHBondContact O-N 2.96Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.29Å; L18-K21 PolarHBondContact O-N 3Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.92Å
19K98.3Very high96.4Very high105 Ų105112.8 Ų112.846%0.45751%0.511SS..Hα-helixtrans-58.3-41.8174.5-178.4174.6-179.2172.90111.7Y15 N17 K23Y15-K19 HydrophobicContact CE1-CD 4.16Å; Y15-K19 WeakPolarHBondContact O-CB 3.42Å; Y15-K19 PolarHBondContact O-N 3.29Å; N17-K19 PolarHBondContact O-N 2.89Å; K19-K23 WeakPolarHBondContact O-CG 3.43Å; K19-K23 PolarHBondContact O-N 3.44Å
20R98.6Very high97.3Very high131 Ų131116.4 Ų116.449%0.49453%0.525SS..Hα-helixtrans-65.7-47.7176.2-163.1-170.9-63.1109.2-1111.3K16 N17 L18 L22 K23 F24K16-R20 PolarHBondContact O-N 3.18Å; N17-R20 PolarHBondContact O-N 3.16Å; N17-R20 PolarHBondContact OD1-NH1 2.71Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.29Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.3Å; R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 3.27Å; R20-F24 HydrophobicContact CG-CD2 4.23Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.38Å; R20-F24 PolarHBondContact O-N 2.95Å
21K98.3Very high97.8Very high139 Ų139114.1 Ų114.160%0.60452%0.516SS*.Hα-helixtrans-60.6-42.1177.3-72.2-178.4178.9-173.50112.1N17 L18 K23 F24 L25N17-K21 WeakPolarHBondContact O-CG 3.33Å; N17-K21 PolarHBondContact O-N 2.82Å; L18-K21 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.25Å; K21-F24 PolarHBondContact O-N 3.18Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 2.65Å
22L98.6Very high97.9Very high103 Ų103111 Ų11154%0.53951%0.506SS..Hα-helixtrans-60.7-43.4177.6-179.161.5000111.5L18 R20 F24 L25 V26L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.92Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.3Å; L22-F24 VanDerWaalsContact C-N 3.29Å; L22-F24 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.17Å; L22-V26 HydrophobicContact CD1-CG2 4.24Å; L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.16Å; L22-V26 PolarHBondContact O-N 3.17Å
23K98.4Very high98.1Very high147 Ų147107 Ų10764%0.63949%0.49SS*.Hα-helixtrans-57.6-42.8175.2-74.7-177.1174.7-166.80112.2K19 R20 K21 Y27K19-K23 WeakPolarHBondContact O-CG 3.43Å; K19-K23 PolarHBondContact O-N 3.44Å; R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 3.27Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.25Å; K23-Y27 PolarHBondContact O-N 3.38Å; K23-Y27 VanDerWaalsContact O-N 3.17Å
24F98.3Very high98.2Very high128 Ų128106.5 Ų106.556%0.56149%0.488SS*.Hα-helixtrans-65.3-46.1176.4-73-63.7000112R20 K21 L22 V26 Y27 E28R20-F24 HydrophobicContact CG-CD2 4.23Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.38Å; R20-F24 PolarHBondContact O-N 2.95Å; K21-F24 PolarHBondContact O-N 3.18Å; L22-F24 VanDerWaalsContact C-N 3.29Å; L22-F24 PolarHBondContact O-N 3.48Å; F24-V26 VanDerWaalsContact C-N 3.32Å; F24-V26 PolarHBondContact O-N 3.24Å; F24-Y27 PolarHBondContact O-N 2.8Å; F24-E28 WeakPolarHBondContact O-CG 3.43Å; F24-E28 PolarHBondContact O-N 2.91Å
25L98.7Very high98.3Very high105 Ų105104.8 Ų104.855%0.5548%0.482SS..Hα-helixtrans-60.7-40.8179.5-74.6172.7000112.6K21 L22 Q29K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 2.65Å; L22-L25 PolarHBondContact O-N 3.17Å; L25-Q29 WeakPolarHBondContact O-CB 3.26Å; L25-Q29 PolarHBondContact O-N 3.49Å
26V98.6Very high98.4Very high68 Ų68102.5 Ų102.541%0.41248%0.479SS..Hα-helixtrans-62-48175.6171.80000110.2L22 F24 E28 Q29 E30L22-V26 HydrophobicContact CD1-CG2 4.24Å; L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.16Å; L22-V26 PolarHBondContact O-N 3.17Å; F24-V26 VanDerWaalsContact C-N 3.32Å; F24-V26 PolarHBondContact O-N 3.24Å; V26-E28 PolarHBondContact O-N 3.45Å; V26-Q29 PolarHBondContact O-N 2.88Å; V26-E30 WeakPolarHBondContact O-CG 3.12Å; V26-E30 PolarHBondContact O-N 2.79Å
27Y98.7Very high98.5Very high151 Ų151101.5 Ų101.559%0.59247%0.472SS*.Hα-helixtrans-61.1-46.9178.6172.5-98.7000112.8K23 F24 Q29 E30 C31K23-Y27 PolarHBondContact O-N 3.38Å; K23-Y27 VanDerWaalsContact O-N 3.17Å; F24-Y27 PolarHBondContact O-N 2.8Å; Y27-Q29 VanDerWaalsContact C-N 3.32Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Y27-E30 PolarHBondContact O-N 2.99Å; Y27-C31 VanDerWaalsContact CZ-SG 3.58Å; Y27-C31 PolarHBondContact O-N 3.39Å; Y27-C31 PolarHBondContact O-SG 3.25Å
28E98Very high98.5Very high90 Ų90105.8 Ų105.842%0.42148%0.484SS..Hα-helixtrans-62.4-42178.1-73.3-174.1137.700111.3F24 V26 E30 C31 F32F24-E28 WeakPolarHBondContact O-CG 3.43Å; F24-E28 PolarHBondContact O-N 2.91Å; V26-E28 PolarHBondContact O-N 3.45Å; E28-E30 PolarHBondContact O-N 3.19Å; E28-C31 WeakPolarHBondContact O-CB 3.39Å; E28-C31 PolarHBondContact O-N 2.76Å; E28-F32 HydrophobicContact CB-CD2 4.41Å; E28-F32 HydrophobicContact CB-CE2 4.1Å; E28-F32 WeakPolarHBondContact O-CD2 3.4Å; E28-F32 WeakPolarHBondContact O-CG 3.36Å; E28-F32 PolarHBondContact O-N 2.79Å
29Q98.5Very high98.5Very high80 Ų80102.9 Ų102.937%0.37447%0.473SS..Hα-helixtrans-61.2-43.1177.6178.6-87.9-500111.7L25 V26 Y27 C31 F32 Q33L25-Q29 WeakPolarHBondContact O-CB 3.26Å; L25-Q29 PolarHBondContact O-N 3.49Å; V26-Q29 PolarHBondContact O-N 2.88Å; Y27-Q29 VanDerWaalsContact C-N 3.32Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Q29-C31 VanDerWaalsContact C-N 3.33Å; Q29-C31 PolarHBondContact O-N 3.22Å; Q29-F32 PolarHBondContact O-N 2.89Å; Q29-Q33 WeakPolarHBondContact O-CG 3.5Å; Q29-Q33 PolarHBondContact O-N 2.91Å
30E98.2Very high98.5Very high114 Ų114102.4 Ų102.453%0.53347%0.473SS..Hα-helixtrans-62.3-41.9175.1-72.5179.6167.200111.4V26 Y27 E28 Q33 E34V26-E30 WeakPolarHBondContact O-CG 3.12Å; V26-E30 PolarHBondContact O-N 2.79Å; Y27-E30 PolarHBondContact O-N 2.99Å; E28-E30 PolarHBondContact O-N 3.19Å; E30-Q33 PolarHBondContact O-N 3.05Å; E30-E34 PolarHBondContact O-N 2.98Å
31C98.4Very high98.5Very high46 Ų46101.9 Ų101.931%0.31147%0.471SS..Hα-helixtrans-60.4-48.9176-69.30000111.7Y27 E28 Q29 Q33 E34 E35Y27-C31 VanDerWaalsContact CZ-SG 3.58Å; Y27-C31 PolarHBondContact O-N 3.39Å; Y27-C31 PolarHBondContact O-SG 3.25Å; E28-C31 WeakPolarHBondContact O-CB 3.39Å; E28-C31 PolarHBondContact O-N 2.76Å; Q29-C31 VanDerWaalsContact C-N 3.33Å; Q29-C31 PolarHBondContact O-N 3.22Å; C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.78Å; C31-E34 PolarHBondContact O-N 3.04Å; C31-E35 PolarHBondContact O-N 3.46Å
32F98.6Very high98.6Very high109 Ų109101.4 Ų101.448%0.47847%0.469SS..Hα-helixtrans-62.2-40178.4-71.3-54.6000112.1E28 Q29 E35 L36 W189E28-F32 HydrophobicContact CB-CD2 4.41Å; E28-F32 HydrophobicContact CB-CE2 4.1Å; E28-F32 WeakPolarHBondContact O-CD2 3.4Å; E28-F32 WeakPolarHBondContact O-CG 3.36Å; E28-F32 PolarHBondContact O-N 2.79Å; Q29-F32 PolarHBondContact O-N 2.89Å; F32-E35 PolarHBondContact O-N 3Å; F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.85Å; F32-W189 AromaticContact CD1-CZ3 3.89Å; F32-W189 HydrophobicContact CD1-CZ3 3.89Å; F32-W189 AromaticContact CE1-CE3 3.75Å; F32-W189 HydrophobicContact CE1-CE3 3.75Å; F32-W189 AromaticContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CZ-CE3 4.46Å; F32-W189 HydrophobicContact CZ-CZ3 4.25Å
33Q98.6Very high98.6Very high82 Ų82102.2 Ų102.238%0.38347%0.473SS..Hα-helixtrans-65.1-41.3177.1-75.2-167.9-14.500112.4Q29 E30 C31 R37Q29-Q33 WeakPolarHBondContact O-CG 3.5Å; Q29-Q33 PolarHBondContact O-N 2.91Å; E30-Q33 PolarHBondContact O-N 3.05Å; C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.78Å; Q33-R37 PolarHBondContact O-N 2.61Å; Q33-R37 VanDerWaalsContact O-N 3.12Å
34E98.5Very high98.6Very high77 Ų7799.9 Ų99.936%0.3647%0.467SS..Hα-helixtrans-62.4-45.4175.9-176.855.9-126.300111.4E30 C31 R37 R38 R41E30-E34 PolarHBondContact O-N 2.98Å; C31-E34 PolarHBondContact O-N 3.04Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.97Å; E34-R37 IonicContact OE1-NH1 2.82Å; E34-R37 PolarHBondContact OE1-NH1 3.36Å; E34-R37 IonicContact OE2-CZ 2.91Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 2.99Å; E34-R37 IonicContact OE2-NH2 2.61Å; E34-R37 PolarHBondContact OE2-NH2 3.33Å; E34-R38 WeakPolarHBondContact O-CB 2.97Å; E34-R38 PolarHBondContact O-N 3.2Å; E34-R41 IonicContact OE1-NH2 3.21Å; E34-R41 PolarHBondContact OE1-NH2 2.99Å
35E98.6Very high98.6Very high85 Ų85100.3 Ų100.340%0.39747%0.468SS..Hα-helixtrans-66.8-41.6-179.5-172.2164-153.100112.5C31 F32 R37 R38 S39 W189C31-E35 PolarHBondContact O-N 3.46Å; F32-E35 PolarHBondContact O-N 3Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.32Å; E35-R38 WeakPolarHBondContact O-CB 3.04Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 VanDerWaalsContact O-N 3.12Å; E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.5Å; E35-S39 PolarHBondContact O-OG 3.23Å; E35-W189 WeakPolarHBondContact OE2-CH2 3.35Å
36L98.7Very high98.6Very high98 Ų9899.8 Ų99.851%0.51347%0.469SS..Hα-helixtrans-56.2-48.1173.5178.561.7000110.7F32 R38 S39 Q40F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.85Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.17Å; L36-S39 PolarHBondContact O-N 3.38Å; L36-Q40 HydrophobicContact CD1-CG 4.35Å; L36-Q40 WeakPolarHBondContact O-CG 3.34Å; L36-Q40 PolarHBondContact O-N 3.46Å
37R98.7Very high98.6Very high104 Ų10499.5 Ų99.539%0.39247%0.47SS..Hα-helixtrans-62.1-38.8178.1-143.2-176.8-37.894.5-6.2111.5Q33 E34 E35 R41Q33-R37 PolarHBondContact O-N 2.61Å; Q33-R37 VanDerWaalsContact O-N 3.12Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.97Å; E34-R37 IonicContact OE1-NH1 2.82Å; E34-R37 PolarHBondContact OE1-NH1 3.36Å; E34-R37 IonicContact OE2-CZ 2.91Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 2.99Å; E34-R37 IonicContact OE2-NH2 2.61Å; E34-R37 PolarHBondContact OE2-NH2 3.33Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.32Å; R37-R41 WeakPolarHBondContact O-CG 3.36Å; R37-R41 PolarHBondContact O-N 3.23Å; R37-R41 VanDerWaalsContact O-N 3.11Å
38R98.7Very high98.6Very high143 Ų143100.5 Ų100.554%0.5447%0.473SS..Hα-helixtrans-64.1-44176.6-164.6-178.2-157117.3-0.2111.7E34 E35 L36 R41 K42E34-R38 WeakPolarHBondContact O-CB 2.97Å; E34-R38 PolarHBondContact O-N 3.2Å; E35-R38 WeakPolarHBondContact O-CB 3.04Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 VanDerWaalsContact O-N 3.12Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.17Å; R38-R41 PolarHBondContact O-N 3.38Å; R38-K42 WeakPolarHBondContact O-CG 3.48Å; R38-K42 PolarHBondContact O-N 3.32Å; R38-K42 VanDerWaalsContact O-N 3.11Å
39S98.8Very high98.6Very high56 Ų56100.4 Ų100.439%0.39248%0.476SS..Hα-helixtrans-67.7-41.8179.3-68.90000112E35 L36 R41 K42 L43E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.5Å; E35-S39 PolarHBondContact O-OG 3.23Å; L36-S39 PolarHBondContact O-N 3.38Å; S39-R41 PolarHBondContact O-N 2.82Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.82Å; S39-L43 WeakPolarHBondContact O-CB 3.34Å; S39-L43 PolarHBondContact O-N 3.12Å
40Q98.7Very high98.6Very high95 Ų95103.3 Ų103.344%0.44449%0.487SS..Hα-helixtrans-59.8-43173.5-72.4171.6-17.400112.1L36 K42 L43 L44L36-Q40 HydrophobicContact CD1-CG 4.35Å; L36-Q40 WeakPolarHBondContact O-CG 3.34Å; L36-Q40 PolarHBondContact O-N 3.46Å; Q40-K42 PolarHBondContact O-N 2.87Å; Q40-L43 PolarHBondContact O-N 3Å; Q40-L44 WeakPolarHBondContact O-CG 3.44Å; Q40-L44 PolarHBondContact O-N 3.02Å
41R98.8Very high98.6Very high120 Ų120100.7 Ų100.745%0.45348%0.481SS..Hα-helixtrans-59.8-43.7174.1-72.9-174.7-63.2-101.47.3112.2E34 R37 R38 S39 K45E34-R41 IonicContact OE1-NH2 3.21Å; E34-R41 PolarHBondContact OE1-NH2 2.99Å; R37-R41 WeakPolarHBondContact O-CG 3.36Å; R37-R41 PolarHBondContact O-N 3.23Å; R37-R41 VanDerWaalsContact O-N 3.11Å; R38-R41 PolarHBondContact O-N 3.38Å; S39-R41 PolarHBondContact O-N 2.82Å; R41-K45 PolarHBondContact O-N 3.32Å; R41-K45 VanDerWaalsContact O-N 3.14Å
42K98.8Very high98.6Very high128 Ų128105.5 Ų105.556%0.55750%0.497SS*.Hα-helixtrans-62.9-45.1176.4-71.3175.1-179.7177.50111.4R38 S39 Q40 L44 K45 V46R38-K42 WeakPolarHBondContact O-CG 3.48Å; R38-K42 PolarHBondContact O-N 3.32Å; R38-K42 VanDerWaalsContact O-N 3.11Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.82Å; Q40-K42 PolarHBondContact O-N 2.87Å; K42-L44 PolarHBondContact O-N 3.42Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-K45 VanDerWaalsContact O-N 3.16Å; K42-V46 WeakPolarHBondContact O-CG2 3.42Å; K42-V46 PolarHBondContact O-N 2.97Å
43L98.7Very high98.6Very high121 Ų121105 Ų10563%0.63450%0.499SS*.Hα-helixtrans-58.6-47.4178.4178.863.9000111.4S39 Q40 K45 V46 S47S39-L43 WeakPolarHBondContact O-CB 3.34Å; S39-L43 PolarHBondContact O-N 3.12Å; Q40-L43 PolarHBondContact O-N 3Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 3.29Å; L43-V46 PolarHBondContact O-N 2.9Å; L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 3.37Å
44L98.8Very high98.5Very high97 Ų97105.8 Ų105.851%0.50851%0.505SS..Hα-helixtrans-60.6-38.4176.9-73.7172.9000112.3Q40 K42 R48Q40-L44 WeakPolarHBondContact O-CG 3.44Å; Q40-L44 PolarHBondContact O-N 3.02Å; K42-L44 PolarHBondContact O-N 3.42Å; L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.32Å; L44-R48 PolarHBondContact O-N 2.96Å; L44-R48 VanDerWaalsContact O-N 3.08Å
45K98.7Very high98.4Very high137 Ų137107 Ų10760%0.59651%0.514SS*.Hα-helixtrans-63.7-52.8176.3-172.2178.4179.5-178.60111.3R41 K42 L43 S47 R48 D49R41-K45 PolarHBondContact O-N 3.32Å; R41-K45 VanDerWaalsContact O-N 3.14Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-K45 VanDerWaalsContact O-N 3.16Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 3.29Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.42Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 3.16Å; K45-R48 VanDerWaalsContact O-N 3.11Å; K45-D49 VanDerWaalsContact O-CG 3.28Å; K45-D49 PolarHBondContact O-N 3.29Å
46V98.8Very high98.3Very high94 Ų94108.3 Ų108.357%0.5752%0.516SS*.Hα-helixtrans-60.7-38.2178.8174.60000111.4K42 L43 R48 D49 K50K42-V46 WeakPolarHBondContact O-CG2 3.42Å; K42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 2.9Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 2.99Å; V46-D49 PolarHBondContact O-N 3.15Å; V46-K50 VanDerWaalsContact O-CB 3.3Å; V46-K50 WeakPolarHBondContact O-CB 3.49Å; V46-K50 PolarHBondContact O-N 3.44Å
47S98.6Very high98.1Very high62 Ų62108.4 Ų108.443%0.43452%0.516SS..Hα-helixtrans-62.1-42.2176.2-171.10000112L43 K45 S51L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 3.37Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.42Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.24Å
48R98.8Very high97.8Very high173 Ų173108.1 Ų108.165%0.65352%0.522SS*.Hα-helixtrans-65.5-45.5175.8-71.8170-176.7158.11.3111.3L44 K45 V46 K50 S51 F52L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.32Å; L44-R48 PolarHBondContact O-N 2.96Å; L44-R48 VanDerWaalsContact O-N 3.08Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 3.16Å; K45-R48 VanDerWaalsContact O-N 3.11Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 2.99Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.26Å; R48-S51 PolarHBondContact O-N 3.2Å; R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.3Å
49D98.6Very high97.4Very high88 Ų88106.5 Ų106.547%0.47152%0.52SS..Hα-helixtrans-61.7-41.7179.3-63.5-16.6000111.1K45 V46 F52 L53K45-D49 VanDerWaalsContact O-CG 3.28Å; K45-D49 PolarHBondContact O-N 3.29Å; V46-D49 PolarHBondContact O-N 3.15Å; D49-F52 PolarHBondContact O-N 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.11Å
50K98.4Very high97Very high140 Ų140110 Ų11061%0.60953%0.526SS*.Hα-helixtrans-60.2-52.3174.4177.9-176.7174.9178.90111.5V46 R48 F52 L53 L54V46-K50 VanDerWaalsContact O-CB 3.3Å; V46-K50 WeakPolarHBondContact O-CB 3.49Å; V46-K50 PolarHBondContact O-N 3.44Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.26Å; K50-F52 VanDerWaalsContact C-N 3.33Å; K50-F52 PolarHBondContact O-N 2.86Å; K50-L53 PolarHBondContact O-N 3.4Å; K50-L54 HydrophobicContact CG-CD1 4.26Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.25Å
51S98Very high96.2Very high59 Ų59112.2 Ų112.241%0.41354%0.536SS..Hα-helixtrans-59.2-45.9179.2-66.30000111.2S47 R48 L53 L54 D55S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.24Å; R48-S51 PolarHBondContact O-N 3.2Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.42Å; S51-L54 PolarHBondContact O-N 3.18Å; S51-D55 VanDerWaalsContact O-CG 3.24Å; S51-D55 PolarHBondContact O-N 3.11Å
52F98.4Very high94.7Very high148 Ų148116.2 Ų116.265%0.64955%0.551SS**Hα-helixtrans-56.8-43.7176.7174.3-95.6000112.6R48 D49 K50 D55 R56R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.3Å; D49-F52 PolarHBondContact O-N 3.24Å; K50-F52 VanDerWaalsContact C-N 3.33Å; K50-F52 PolarHBondContact O-N 2.86Å; F52-D55 PolarHBondContact O-N 3.38Å; F52-R56 PolarHBondContact O-N 3.12Å
53L98.2Very high92.9Very high99 Ų99114.2 Ų114.252%0.51855%0.55SS..Hα-helixtrans-66.2-42.9178.5-178.961000112D49 K50 S51 R56 L57D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.11Å; K50-L53 PolarHBondContact O-N 3.4Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.42Å; L53-R56 PolarHBondContact O-N 2.96Å; L53-L57 HydrophobicContact CD1-CD1 4.16Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.92Å
54L97.3Very high91Very high98 Ų98115 Ų11551%0.51355%0.554SS.*Hα-helixtrans-61.1-44.8176.4-68.3175.6000111.2K50 S51 R56 L57 L58K50-L54 HydrophobicContact CG-CD1 4.26Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.25Å; S51-L54 PolarHBondContact O-N 3.18Å; L54-R56 PolarHBondContact O-N 3.32Å; L54-L57 PolarHBondContact O-N 2.79Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 3.42Å
55D95.4Very high89Confident102 Ų102119.2 Ų119.255%0.54557%0.571SS.*Hα-helixtrans-61.8-33.9176.1-66-19.9000112S51 F52 Q59S51-D55 VanDerWaalsContact O-CG 3.24Å; S51-D55 PolarHBondContact O-N 3.11Å; F52-D55 PolarHBondContact O-N 3.38Å; D55-Q59 PolarHBondContact O-NE2 3.31Å
56R95.8Very high87Confident113 Ų113119.8 Ų119.843%0.42658%0.581SS.*Hα-helixtrans-72.9-44.4175.7-173.655.2176-179.2-0.6112.4F52 L53 L54 Q59 Y60F52-R56 PolarHBondContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 2.96Å; L54-R56 PolarHBondContact O-N 3.32Å; R56-Q59 WeakPolarHBondContact O-CB 3.3Å; R56-Q59 PolarHBondContact O-N 3.1Å; R56-Y60 HydrophobicContact CG-CE2 4.26Å; R56-Y60 PolarHBondContact NH2-OH 3.14Å; R56-Y60 VanDerWaalsContact O-CD2 3.24Å; R56-Y60 WeakPolarHBondContact O-CD2 3.34Å
57L94.6Very high85Confident99 Ų99120.2 Ų120.252%0.51859%0.588SS.*Hα-helixtrans-67.2-36.1179.6-73.2171.4000112.2L53 L54 Q59 Y60 E61L53-L57 HydrophobicContact CD1-CD1 4.16Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.92Å; L54-L57 PolarHBondContact O-N 2.79Å; L57-Q59 PolarHBondContact O-N 2.99Å; L57-Q59 VanDerWaalsContact O-N 3.11Å; L57-Y60 PolarHBondContact O-N 3.37Å; L57-E61 PolarHBondContact O-N 3.16Å
58L92.3Very high83Confident98 Ų98121.8 Ų121.851%0.51360%0.599SS.*Hα-helixtrans-55.6-30.1177-173.566000112.7L54 Y60 E61L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 3.42Å; L58-Y60 PolarHBondContact O-N 3.47Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.5Å
59Q91.4Very high81.3Confident110 Ų110121.1 Ų121.151%0.51461%0.609SS.*THydrogen-bonded Turntrans-67-25.1176.4-67.7163.163.500113D55 R56 L57 V63D55-Q59 PolarHBondContact O-NE2 3.31Å; R56-Q59 WeakPolarHBondContact O-CB 3.3Å; R56-Q59 PolarHBondContact O-N 3.1Å; L57-Q59 PolarHBondContact O-N 2.99Å; L57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-V63 WeakPolarHBondContact O-CG2 3.38Å
60Y90.5Very high79.5Confident129 Ų129121.4 Ų121.451%0.50662%0.618SS.*THydrogen-bonded Turntrans-97.8-12.2-177-63.8-78.4000113.4R56 L57 L58 R62R56-Y60 HydrophobicContact CG-CE2 4.26Å; R56-Y60 PolarHBondContact NH2-OH 3.14Å; R56-Y60 VanDerWaalsContact O-CD2 3.24Å; R56-Y60 WeakPolarHBondContact O-CD2 3.34Å; L57-Y60 PolarHBondContact O-N 3.37Å; L58-Y60 PolarHBondContact O-N 3.47Å; Y60-R62 PolarHBondContact O-N 3.46Å
61E80.6Confident77.7Confident142 Ų142120.9 Ų120.966%0.66462%0.622SS**THydrogen-bonded Turntrans-62.5-22.8176.6-174.8178-158.800112.6L57 L58L57-E61 PolarHBondContact O-N 3.16Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.5Å
62R68.2Low75.6Confident204 Ų204122.8 Ų122.877%0.7764%0.641SS**THydrogen-bonded Turntrans-123.545.6-171.3-54-174-166.1-1742.2113.9Y60Y60-R62 PolarHBondContact O-N 3.46Å
63V61.1Low74Confident86 Ų86121.7 Ų121.752%0.52165%0.647SS.*SBendtrans-115.7-18.9-178.3-176.90000113.4Q59Q59-V63 WeakPolarHBondContact O-CG2 3.38Å
64D59.2Low71.5Confident136 Ų136121.5 Ų121.573%0.72766%0.659SS**SBendtrans-108.48.8-171.9-60.1-39.5000115.4D66D64-D66 VanDerWaalsContact C-N 3.28Å
65E56Low69.5Low186 Ų186123 Ų12387%0.86968%0.678SS**THydrogen-bonded Turntrans-79.4-11.6174.5-70.1-100.6142.100112.7
66D56.1Low67.5Low149 Ų149123.7 Ų123.780%0.79769%0.69SS**THydrogen-bonded Turntrans-98.3-3.2-178.9-59.6-14.2000113D64 S68D64-D66 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.35Å
67S58.2Low65.4Low103 Ų103127.3 Ų127.372%0.7271%0.712SS**  trans-75.673.8170.4-176.30000109D69S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 2.98Å
68S56.3Low62.8Low96 Ų96130 Ų13067%0.67173%0.727SS**  trans-55.590.9173.7-174.60000110.5D66 S70D66-S68 PolarHBondContact O-N 3.35Å; S68-S70 PolarHBondContact O-N 3.44Å; S68-S70 PolarHBondContact OG-OG 3.25Å
69D62.3Low60.5Low159 Ų159128.7 Ų128.785%0.8573%0.726SS**  trans-69.384.9157.3-171.425.1000106.5S67 D71S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 2.98Å; D69-D71 PolarHBondContact O-N 2.87Å
70S60.8Low58.2Low94 Ų94132.1 Ų132.166%0.65774%0.742SS**  trans-69114.2176.9-73.70000109.2S68S68-S70 PolarHBondContact O-N 3.44Å; S68-S70 PolarHBondContact OG-OG 3.25Å
71D61.8Low55.5Low129 Ų129129.9 Ų129.969%0.6976%0.758SS**  trans-36128.6169.4-161.7-66.3000113.2D69 T73D69-D71 PolarHBondContact O-N 2.87Å; D71-T73 PolarHBondContact OD1-N 3.36Å; D71-T73 PolarHBondContact OD1-OG1 3.07Å
72A53.3Low53.5Low99 Ų99131.9 Ų131.982%0.81877%0.767SS**  trans-142.576.7152.700000109.4A74A72-A74 PolarHBondContact O-N 2.95Å
73T63.8Low52Low125 Ų125124.8 Ų124.877%0.76776%0.758SS**  trans-63.6111.9149.746.10000109.5D71D71-T73 PolarHBondContact OD1-N 3.36Å; D71-T73 PolarHBondContact OD1-OG1 3.07Å
74A47.5Very low50.5Low95 Ų95125.4 Ų125.479%0.78576%0.762SS**  trans-155.397.6155.400000109.6A72 S76A72-A74 PolarHBondContact O-N 2.95Å; A74-S76 PolarHBondContact O-N 2.89Å
75S55.2Low49.4Very low129 Ų129128.4 Ų128.490%0.90276%0.763SS**  trans-58.5130.7158.2-680000109.7
76S52.2Low48.3Very low116 Ų116127.4 Ų127.481%0.81176%0.758SS**  -165126.4128.6-133.10000111.7A74A74-S76 PolarHBondContact O-N 2.89Å
77E52.2Low47.5Very low189 Ų189130.5 Ų130.588%0.88376%0.759SS**  trans-45.1124.8151.1175.2161.2-141.200111.5
78N39.2Very low46.2Very low156 Ų156133.1 Ų133.183%0.83477%0.765SS**  trans-177.6146.9135.8-16838.3000111.8
79S44.6Very low45.2Very low71 Ų71132 Ų13250%0.49777%0.768SS.*  trans-64.5158-175.6-155.30000116
80E42.3Very low44.2Very low182 Ų182128.1 Ų128.185%0.8577%0.766SS**  trans21.4127.2149.871.8-152.5123.300120.7
81G34.8Very low43.7Very low81 Ų81133.1 Ų133.184%0.83578%0.776SS**  trans178.993.9167.300000113.2
82E38.1Very low43.2Very low184 Ų184136.1 Ų136.186%0.8678%0.782SS**  trans-57.1144.9164.8-177.6-100.4159.900111
83G36.3Very low43.1Very low55 Ų55141.8 Ų141.857%0.56778%0.783SS**  trans16384.4173.200000115.8
84T30.6Very low42.5Very low99 Ų99147.4 Ų147.461%0.60779%0.79SS**  trans39.1135.3131.721.80000121.7
85R36.4Very low42.3Very low200 Ų200148.3 Ų148.376%0.75579%0.791SS**  102.5119.4126-85.6175-125.9-150.92.4120.2
86E33.2Very low42.1Very low164 Ų164147.1 Ų147.177%0.76678%0.782SS**  trans75.9151.4134.9-43.4-96.9155.400114.7
87R38.1Very low42.3Very low215 Ų215147.9 Ų147.981%0.81178%0.784SS**  cis178.5140.3-10.3168.8172.9-170.7-135.35.3103.3
88D31.7Very low41.8Very low158 Ų158141.9 Ų141.985%0.84577%0.773SS**  trans41131.9145.9-146.4-87.6000121.3
89G35Very low42.1Very low71 Ų71141.4 Ų141.473%0.73278%0.776SS**  trans136125.2135.300000116.3
90G41.8Very low41.7Very low78 Ų78141.5 Ų141.580%0.80479%0.788SS**  trans141.562.5150.100000118.4
91K49.8Very low41.7Very low199 Ų199140.8 Ų140.887%0.86579%0.789SS**  trans-59.6142.6155.5-66.6169.8176.1172.10110.1
92K50.7Low42.8Very low192 Ų192142.5 Ų142.584%0.83579%0.785SS**  trans154.6138.1148.1-88.8164.2-175.7-175.70108.6
93R52.4Low42.8Very low218 Ų218138.9 Ų138.982%0.82378%0.78SS**  cis-163.8126.15.7-85.1146.778.7-157.82.8106.1
94R51.2Low43.1Very low243 Ų243141.3 Ų141.392%0.91779%0.788SS**  18.8108.2115.7-153.4175.6-171-131.93.8115.7
95S41.8Very low44Very low115 Ų115142 Ų14280%0.80480%0.798SS**  trans-140.4141.8146.753.50000109.5
96S51.4Low44.3Very low104 Ų104137.2 Ų137.273%0.72780%0.795SS**  trans-81.7166.7-148.5-55.60000116.3
97P56.6Low45Very low131 Ų131135.4 Ų135.485%0.85180%0.8SS**  trans-84.5151173.635.4-32.6000111.2
98G41.4Very low45.3Very low63 Ų63131.9 Ų131.965%0.64979%0.793SS**  trans-155.7113.417700000113.7
99V45.1Very low46.1Very low147 Ų147132.8 Ų132.889%0.89180%0.797SS**  trans54.7118.4142.4-67.40000118.2
100G36.8Very low46.5Very low72 Ų72133.4 Ų133.474%0.74279%0.79SS**  cis83.577.320.600000111.8
101L41.7Very low46.7Very low168 Ų168137.6 Ų137.688%0.8879%0.792SS**  trans-149.9136.6158.3-95166.8000110.5
102P58Low46.4Very low116 Ų116135.4 Ų135.475%0.75379%0.789SS**  trans-99.9173.5179.638.9-31.9000112.6
103S39.8Very low46.2Very low108 Ų108131.8 Ų131.876%0.75579%0.788SS**  trans101.6112161.4-157.10000116.2
104S41Very low45.7Very low106 Ų106131.8 Ų131.874%0.74179%0.788SS**  -178.2136.189.6-73.90000112.2
105S50Low45.2Very low115 Ų115125.8 Ų125.880%0.80478%0.784SS**  trans-49.2136.2160.850.10000113.3
106S43.6Very low45.5Very low99 Ų99123.2 Ų123.269%0.69278%0.776SS**  trans-156.7104.2150.31780000110.5
107S47.4Very low45.3Very low126 Ų126124.2 Ų124.288%0.88178%0.777SS**  trans-70.4118.3164.7-47.70000109.2
108H44.4Very low45Very low141 Ų141125.6 Ų125.665%0.65378%0.777SS**  trans-148.297.5156.560.2-79.2000109.9S110H108-S110 PolarHBondContact O-N 3.3Å; H108-S110 VanDerWaalsContact O-N 3.17Å
109L47.5Very low45.5Very low177 Ų177128.2 Ų128.293%0.92778%0.783SS**  trans-76.394.1161.3-66.6174.6000107L111L109-L111 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact O-N 3.11Å
110S43.6Very low45.4Very low84 Ų84129.1 Ų129.159%0.58778%0.782SS**  trans-71.7100.3172.1-62.70000109.5H108 L112H108-S110 PolarHBondContact O-N 3.3Å; H108-S110 VanDerWaalsContact O-N 3.17Å; S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 VanDerWaalsContact O-N 3.08Å
111L45.9Very low46.1Very low165 Ų165135 Ų13586%0.86479%0.79SS**  trans-67.994.2159.8-68.7170.4000107.8L109 S113L109-L111 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact O-N 3.11Å; L111-S113 PolarHBondContact O-N 3.48Å; L111-S113 VanDerWaalsContact O-N 3.1Å
112L45.1Very low46.1Very low153 Ų153132.4 Ų132.480%0.80179%0.786SS**  trans-72.9100162.7-85.185.8000108.1S110 R114S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 VanDerWaalsContact O-N 3.08Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.08Å
113S45.2Very low45.8Very low116 Ų116132.8 Ų132.881%0.81179%0.791SS**  trans-60.692.9159.9-54.90000109L111 S115L111-S113 PolarHBondContact O-N 3.48Å; L111-S113 VanDerWaalsContact O-N 3.1Å; S113-S115 PolarHBondContact O-N 3.16Å
114R41.4Very low46.5Very low218 Ų218131.5 Ų131.582%0.82380%0.795SS**  trans-81.995170.6-161.7164.2175.8-981.3108.5L112L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.08Å
115S41.3Very low46.8Very low118 Ų118130.4 Ų130.483%0.82579%0.788SS**  trans-58.6135.7163.2179.90000110.1S113S113-S115 PolarHBondContact O-N 3.16Å
116G48.8Very low46.9Very low61 Ų61128.8 Ų128.863%0.62977%0.773SS**  trans9484.2155.700000117
117V46.8Very low47.7Very low125 Ų125128.8 Ų128.876%0.75877%0.771SS**  trans-144125.3139.3-72.60000109.1
118N50.6Low48.2Very low159 Ų159131.2 Ų131.285%0.8576%0.761SS**PPolyproline II helixtrans-58.5131.7175.6-100.5-25000111.2L120N118-L120 PolarHBondContact O-N 3.32Å
119P52.2Low49.1Very low118 Ų118130.4 Ų130.477%0.76676%0.761SS**PPolyproline II helixtrans-80116.1158.1-2.721.3000108.4Q121P119-Q121 PolarHBondContact O-N 3.05Å
120L42.1Very low49.9Very low166 Ų166128.9 Ų128.987%0.86975%0.754SS**PPolyproline II helixtrans-52.6134.1163-125.568.8000108.9N118 S122N118-L120 PolarHBondContact O-N 3.32Å; L120-S122 PolarHBondContact O-N 2.85Å; L120-S122 VanDerWaalsContact O-N 3.08Å
121Q52.6Low51.2Low195 Ų195130 Ų13091%0.91176%0.758SS**  trans-52.2110.9-179.6-63.4-177.3-14.600111P119P119-Q121 PolarHBondContact O-N 3.05Å
122S41Very low52.6Low114 Ų114127.1 Ų127.180%0.79774%0.743SS**  trans-103.8107.1159.6-169.60000106.9L120 G124L120-S122 PolarHBondContact O-N 2.85Å; L120-S122 VanDerWaalsContact O-N 3.08Å; S122-G124 PolarHBondContact O-N 2.99Å
123S52.7Low53.9Low124 Ų124123.3 Ų123.387%0.86773%0.727SS**THydrogen-bonded Turntrans-53.3128.3175.1-750000111.2
124G53.1Low54.9Low81 Ų81126.3 Ų126.384%0.83573%0.726SS**THydrogen-bonded Turntrans113.514.715000000119.2S122S122-G124 PolarHBondContact O-N 2.99Å
125S48.6Very low56.5Low84 Ų84119.3 Ų119.359%0.58771%0.708SS**  trans-101.1113.1170.2-178.30000110.7
126T51.2Low58.3Low80 Ų80114.8 Ų114.849%0.49168%0.676SS.*  trans-56.3138.117047.80000110Y128 L129T126-Y128 PolarHBondContact O-N 2.85Å; T126-L129 PolarHBondContact O-N 3Å
127P60.7Low59.3Low100 Ų100118.6 Ų118.665%0.64968%0.678SS**THydrogen-bonded Turntrans-64.1-16.1-177.425-33.8000113.1
128Y58.5Low60.5Low176 Ų176121.9 Ų121.969%0.6968%0.678SS**Hα-helixtrans-71.4-27.4178.4-71.7-78000114.1T126 N130 L132T126-Y128 PolarHBondContact O-N 2.85Å; Y128-N130 VanDerWaalsContact C-N 3.29Å; Y128-N130 PolarHBondContact O-N 2.9Å; Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 VanDerWaalsContact O-CG 3.25Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å
129L62.8Low61.6Low124 Ų124118.6 Ų118.665%0.64966%0.66SS**Hα-helixtrans-74.4-22.4-179.6-68.1-174.5000113.1T126T126-L129 PolarHBondContact O-N 3Å
130N64.3Low62.6Low146 Ų146115 Ų11578%0.78164%0.64SS**Hα-helixtrans-92.9-16.5-174.5-130.6-17.5000113.3Y128Y128-N130 VanDerWaalsContact C-N 3.29Å; Y128-N130 PolarHBondContact O-N 2.9Å
131T71.3Confident63.8Low108 Ų108112.6 Ų112.666%0.66363%0.634SS**Hα-helixtrans-100.6-10.4-179.357.70000113.6
132L75.3Confident64.1Low104 Ų104109.2 Ų109.255%0.54563%0.63SS.*SBendtrans-76.6130.3177.6-70.8171000110.2Y128 F134Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 VanDerWaalsContact O-CG 3.25Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; L132-F134 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact O-N 3.1Å
133P71.1Confident65.2Low72 Ų72108.1 Ų108.147%0.46863%0.627SS.*PPolyproline II helixtrans-61.1117.517125.5-31000108.4P135 E137P133-P135 CarbonylContact O-C 3.16Å; P133-P135 VanDerWaalsContact O-O 3.1Å; P133-E137 WeakPolarHBondContact CG-OE1 3.35Å
134F66.4Low65.1Low180 Ų180110.6 Ų110.679%0.78963%0.625SS**SBendtrans-91.7129.7172.6-168.9-95.7000109.5L132L132-F134 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact O-N 3.1Å
135P75.6Confident65Low70 Ų70118 Ų11846%0.45563%0.628SS.*SBendcis-78.8149.31.631.9-34.1000113P133P133-P135 CarbonylContact O-C 3.16Å; P133-P135 VanDerWaalsContact O-O 3.1Å
136P78.1Confident65.1Low24 Ų24122.3 Ų122.316%0.15664%0.641CS.*PPolyproline II helixtrans-51.2141.5176.5-24.631.7000112.1Y138 L139 A140P136-Y138 HydrophobicContact CB-CD1 3.67Å; P136-Y138 HydrophobicContact CB-CD2 4.35Å; P136-Y138 HydrophobicContact CB-CE1 3.17Å; P136-Y138 HydrophobicContact CB-CE2 3.91Å; P136-Y138 HydrophobicContact CB-CG 4.24Å; P136-Y138 HydrophobicContact CG-CE1 4.05Å; P136-Y138 HydrophobicContact CG-CE2 4.36Å; P136-Y138 WeakPolarHBondContact CG-OH 3.24Å; P136-Y138 PolarHBondContact O-N 3.47Å; P136-L139 WeakPolarHBondContact O-CA 3.44Å; P136-L139 PolarHBondContact O-N 3.48Å; P136-A140 PolarHBondContact O-N 2.93Å
137E71.5Confident64.8Low141 Ų141127.7 Ų127.766%0.65966%0.657SS**THydrogen-bonded Turntrans-60.2-21.7-171.9-68.1101.917300114.1P133 L139 A140P133-E137 WeakPolarHBondContact CG-OE1 3.35Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-A140 PolarHBondContact O-N 3.21Å
138Y72.1Confident64.5Low193 Ų193132.9 Ų132.976%0.75767%0.669SS**THydrogen-bonded Turntrans-75.1-17.9174.257.3-98.3000114P136P136-Y138 HydrophobicContact CB-CD1 3.67Å; P136-Y138 HydrophobicContact CB-CD2 4.35Å; P136-Y138 HydrophobicContact CB-CE1 3.17Å; P136-Y138 HydrophobicContact CB-CE2 3.91Å; P136-Y138 HydrophobicContact CB-CG 4.24Å; P136-Y138 HydrophobicContact CG-CE1 4.05Å; P136-Y138 HydrophobicContact CG-CE2 4.36Å; P136-Y138 WeakPolarHBondContact CG-OH 3.24Å; P136-Y138 PolarHBondContact O-N 3.47Å
139L73.1Confident64.2Low90 Ų90133.4 Ų133.447%0.47168%0.678SS.*THydrogen-bonded Turntrans-97.7-12.1171.2-62.8-178.6000112.3P136 E137P136-L139 WeakPolarHBondContact O-CA 3.44Å; P136-L139 PolarHBondContact O-N 3.48Å; E137-L139 VanDerWaalsContact C-N 3.31Å
140A71.9Confident64Low42 Ų42138.6 Ų138.635%0.34769%0.689SS.*SBendtrans-73.4127.517400000109.1P136 E137P136-A140 PolarHBondContact O-N 2.93Å; E137-A140 PolarHBondContact O-N 3.21Å
141P67.6Low63.4Low116 Ų116141.5 Ų141.575%0.75370%0.695SS**PPolyproline II helixtrans-53.3135.5172.5-25.434.2000110A143P141-A143 PolarHBondContact O-N 3.35Å
142P60.2Low62.4Low125 Ų125142.9 Ų142.981%0.81270%0.703SS**PPolyproline II helixtrans-58.5116.8-178.723.1-31.6000108.4E144P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.4Å
143A63.1Low61Low90 Ų90147.4 Ų147.474%0.74472%0.719SS**  trans-64.997.6171.600000107.2P141 R145P141-A143 PolarHBondContact O-N 3.35Å; A143-R145 PolarHBondContact O-N 3.04Å
144E51.2Low59.9Low176 Ų176148.6 Ų148.682%0.82274%0.735SS**  trans-51108.9169-106.8-157.5157.500107.4P142 M146P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.4Å; E144-M146 PolarHBondContact O-N 2.87Å
145R50.3Low59.1Low237 Ų237146.1 Ų146.189%0.89474%0.737SS**  trans-68.687.7170-67.1-179.4-177.5149.90106.2A143 K147A143-R145 PolarHBondContact O-N 3.04Å; R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.26Å
146M50.7Low57.5Low174 Ų174151.8 Ų151.886%0.85775%0.754SS**  trans-50.195.5162.741.7-178.199.200107.9E144 K148E144-M146 PolarHBondContact O-N 2.87Å; M146-K148 PolarHBondContact O-N 2.98Å
147K46Very low55.7Low193 Ų193158.9 Ų158.984%0.83979%0.785SS**  trans-54.2125.1165.3-88.3-175.1170.7175.60105.6R145 E149R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.26Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.38Å
148K53Low54.3Low209 Ų209162.5 Ų162.591%0.90980%0.799SS**  trans-53.294.8172.1-82.8176.6170170.40109.1M146M146-K148 PolarHBondContact O-N 2.98Å
149E52.8Low52.7Low188 Ų188161.5 Ų161.588%0.87980%0.798SS**  trans-69.2134.2165.1-74.3-128115.700108.7K147 K151K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.38Å; E149-K151 PolarHBondContact O-N 3.33Å
150R57.9Low50.9Low233 Ų233164.7 Ų164.788%0.87981%0.811SS**  trans-69.6121.9-175.1-72171.3157.7-167.5-5.5109.7T152R150-T152 PolarHBondContact O-N 3.19Å
151K51.9Low49.3Very low206 Ų206169.2 Ų169.290%0.89683%0.834SS**  trans7.698.5148.6-173.5174.3173.7176.70115.3E149E149-K151 PolarHBondContact O-N 3.33Å
152T49.6Very low47.9Very low137 Ų137169.1 Ų169.184%0.8484%0.836SS**  trans-106.1134.9161.643.10000110.1R150R150-T152 PolarHBondContact O-N 3.19Å
153K47Very low46.9Very low199 Ų199166.5 Ų166.587%0.86583%0.832SS**PPolyproline II helixtrans-67.9137.4-176.3-79.3179.3169.4178.20111.2
154A48.8Very low46.1Very low98 Ų98172 Ų17281%0.8184%0.839SS**PPolyproline II helixtrans-70.913816800000112
155P48.1Very low45.6Very low128 Ų128170.6 Ų170.683%0.83184%0.842SS**PPolyproline II helixtrans-95.6144.7156.732.6-27.2000111.9
156K41.6Very low45.2Very low188 Ų188165.6 Ų165.682%0.81784%0.838SS**PPolyproline II helixtrans-72.6147.6-171.8-72.8-177.1173.4-178.70113.9
157H41.9Very low44.7Very low173 Ų173161.3 Ų161.380%0.80183%0.83SS**  trans4.6129.9151.5-40.7-77.3000119
158K40.4Very low44.6Very low218 Ų218158.1 Ų158.195%0.94883%0.829SS**  trans-143.9141.2137.5-107.1-162.4178.3-174.60112.8
159K39Very low44.1Very low172 Ų172156.5 Ų156.575%0.74883%0.83SS**  trans-63.1146.6-171.8-177.4176.1175.7175.90115.6
160E35.6Very low43.4Very low157 Ų157151.9 Ų151.973%0.73482%0.823SS**  trans30.6132150.2-60.5173.7153.600120.5
161T39.5Very low42.6Very low137 Ų137145.1 Ų145.184%0.8482%0.817SS**  -146.6125.9126.868.50000111.8
162S36.9Very low42.1Very low113 Ų113142.9 Ų142.979%0.7982%0.815SS**  trans-24.2132.2160.552.90000118.9
163G40.2Very low42.2Very low71 Ų71145.9 Ų145.973%0.73281%0.812SS**  69.4109.9113.400000119
164K44.7Very low42.5Very low205 Ų205142.4 Ų142.489%0.89181%0.81SS**  trans-154.8111.1136.1-111166.8-176.6179.30109.7
165V40.9Very low41.9Very low147 Ų147143 Ų14389%0.89181%0.814SS**PPolyproline II helixtrans-73.1121.6170.3179.70000107.1
166V41.7Very low41.5Very low132 Ų132139.9 Ų139.980%0.881%0.806SS**PPolyproline II helixtrans-94.5117.4169.4174.70000107.3
167A40.6Very low42Very low83 Ų83137.4 Ų137.469%0.68681%0.809SS**PPolyproline II helixtrans-71.1140.2171.900000110.3
168P45.2Very low42.1Very low127 Ų127136.1 Ų136.183%0.82581%0.813SS**PPolyproline II helixtrans-82.5117.6169.631-28.1000109.4
169L42.7Very low42.4Very low175 Ų175129.9 Ų129.992%0.91680%0.803SS**PPolyproline II helixtrans-77.4124.5166.7-173.165.8000108.4
170A37.2Very low43Very low91 Ų91127.1 Ų127.175%0.75280%0.803SS**PPolyproline II helixtrans-61.4128.1-178.100000112.3
171A40.8Very low43.5Very low90 Ų90125.7 Ų125.774%0.74481%0.807SS**PPolyproline II helixtrans-80.6117165.500000108.7
172N42.1Very low43.6Very low159 Ų159125.1 Ų125.185%0.8580%0.803SS**  trans-92.6110178.6-15713.2000108.3
173Y51.6Low44.2Very low201 Ų201125.2 Ų125.279%0.78880%0.804SS**  trans-126.4132167.5-81.1-81.5000108.9
174P52.3Low44.7Very low126 Ų126126.7 Ų126.782%0.81880%0.803SS**  trans-73.4136.2176.228.4-31.8000111.5
175A37.3Very low44.8Very low109 Ų109121.7 Ų121.790%0.90180%0.8SS**  trans-67.9133.2176.800000112.2
176G39.7Very low45.4Very low63 Ų63118.5 Ų118.565%0.64978%0.784SS**  trans-108.1156.8161.600000110.6
177P50.9Low45.5Very low136 Ų136121.6 Ų121.688%0.88379%0.787SS**  trans-73.7141.9-157.628.5-34.7000114.5
178T45.6Very low46.3Very low146 Ų146124.3 Ų124.390%0.89679%0.79SS**  trans-73.6125.6176.448.40000112.3
179A47Very low46.4Very low88 Ų88125.8 Ų125.873%0.72778%0.78SS**  trans-120.9139.1158.200000108.9
180P50.2Low47.3Very low114 Ų114122 Ų12274%0.7476%0.764SS**  trans-82.6131.2-175.732.1-31.6000110.9T182P180-T182 PolarHBondContact O-N 2.92Å
181P47.2Very low48.3Very low126 Ų126121.5 Ų121.582%0.81875%0.753SS**  trans-77.2112.5161.729.1-28.8000108.7
182T41.4Very low49.1Very low126 Ų126127.8 Ų127.877%0.77376%0.757SS**  trans-51.4134.8167.950.60000110.9P180 S184P180-T182 PolarHBondContact O-N 2.92Å; T182-S184 PolarHBondContact O-N 3.28Å
183S49.4Very low50Low114 Ų114128.8 Ų128.880%0.79776%0.757SS**SBendtrans-50.2119.1167.351.40000112.4
184S50.8Low50Low102 Ų102127.2 Ų127.271%0.71376%0.759SS**  trans164.257.5139.749.30000110.9T182 S186T182-S184 PolarHBondContact O-N 3.28Å; S184-S186 PolarHBondContact O-N 3.35Å
185A46.7Very low50.2Low100 Ų100127.7 Ų127.783%0.82675%0.753SS**  trans-76.579.6159.100000108.1F187A185-F187 PolarHBondContact O-N 2.89Å
186S52.3Low50.9Low81 Ų81128.1 Ų128.157%0.56675%0.75SS**  trans-49.9132.7163.8-59.40000108.8S184 N188S184-S186 PolarHBondContact O-N 3.35Å; S186-N188 VanDerWaalsContact C-N 3.33Å; S186-N188 PolarHBondContact O-N 3.17Å; S186-N188 PolarHBondContact O-ND2 3.11Å
187F44.6Very low51.4Low196 Ų196128.4 Ų128.486%0.8675%0.753SS**  trans-5690.1177.6-79.7-98.1000111A185 W189A185-F187 PolarHBondContact O-N 2.89Å; F187-W189 VanDerWaalsContact C-N 3.34Å; F187-W189 PolarHBondContact O-N 3.08Å
188N57Low51.1Low140 Ų140129.6 Ų129.675%0.74975%0.752SS**  trans-91.171.4174.3-69-54000109.2S186 V190S186-N188 VanDerWaalsContact C-N 3.33Å; S186-N188 PolarHBondContact O-N 3.17Å; S186-N188 PolarHBondContact O-ND2 3.11Å; N188-V190 VanDerWaalsContact C-N 3.32Å
189W47.9Very low50.8Low159 Ų159126.8 Ų126.860%0.60274%0.743SS**  trans-9310168.8-92.552.9000112.9F32 E35 F187 P191F32-W189 AromaticContact CD1-CZ3 3.89Å; F32-W189 HydrophobicContact CD1-CZ3 3.89Å; F32-W189 AromaticContact CE1-CE3 3.75Å; F32-W189 HydrophobicContact CE1-CE3 3.75Å; F32-W189 AromaticContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CZ-CE3 4.46Å; F32-W189 HydrophobicContact CZ-CZ3 4.25Å; E35-W189 WeakPolarHBondContact OE2-CH2 3.35Å; F187-W189 VanDerWaalsContact C-N 3.34Å; F187-W189 PolarHBondContact O-N 3.08Å; W189-P191 WeakPolarHBondContact O-CD 3.48Å
190V61.8Low50.4Low96 Ų96127.6 Ų127.658%0.58275%0.75SS**SBendtrans-88.7118.6175.2-176.20000108.5N188 R192 L195N188-V190 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.1Å; V190-L195 HydrophobicContact CG1-CD1 4.14Å
191P57.2Low50.4Low80 Ų80131.6 Ų131.652%0.51976%0.759SS.*  trans-57.5110.4168.6-23.234.7000109.3W189 Q193 M194W189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-Q193 PolarHBondContact O-N 3.11Å; P191-M194 PolarHBondContact O-N 3.37Å; P191-M194 VanDerWaalsContact O-N 3.16Å
192R58.8Low50.4Low221 Ų221134.8 Ų134.883%0.83476%0.763SS**G310 helixtrans-57.8-17.8-179.2-61.8-180107.4-1154.1112.8V190 M194 L195V190-R192 PolarHBondContact O-N 3.1Å; R192-M194 PolarHBondContact O-N 3.08Å; R192-L195 PolarHBondContact O-N 3.48Å
193Q60.1Low50.7Low181 Ų181137.1 Ų137.185%0.84677%0.765SS**G310 helixtrans-66-16.3178.2-71.6-177.63000114.4P191P191-Q193 PolarHBondContact O-N 3.11Å
194M51.5Low50.4Low168 Ų168135 Ų13583%0.82876%0.761SS**G310 helixtrans-86.7-3.9177.1-67.7-14971.700114.5P191 R192P191-M194 PolarHBondContact O-N 3.37Å; P191-M194 VanDerWaalsContact O-N 3.16Å; R192-M194 PolarHBondContact O-N 3.08Å
195L57.3Low50Low136 Ų136138.9 Ų138.971%0.71277%0.768SS**SBendtrans-113.6-2.2179.5-74.692.1000114.3V190 R192 G197V190-L195 HydrophobicContact CG1-CD1 4.14Å; R192-L195 PolarHBondContact O-N 3.48Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; L195-G197 VanDerWaalsContact O-N 3.15Å
196S51Low49.9Very low117 Ų117139.6 Ų139.682%0.81877%0.767SS**  trans-88.575.6171.3-78.60000110.2
197G51Low49.5Very low70 Ų70143.9 Ų143.972%0.72278%0.783SS**  trans-142.882.6162.200000107.2L195L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; L195-G197 VanDerWaalsContact O-N 3.15Å
198D43.9Very low49.5Very low161 Ų161138 Ų13886%0.86178%0.778SS**SBendtrans169.7142.1134.4-162.721.5000111.5
199A39.8Very low48.8Very low87 Ų87138.9 Ų138.972%0.71978%0.782SS**  trans66.398.5164.100000120.7
200A38.3Very low48.8Very low104 Ų104136.4 Ų136.486%0.8679%0.789SS**  173.8130.3108.700000110.3
201E50.3Low48.2Very low199 Ų199137.4 Ų137.493%0.9379%0.791SS**  trans-67.6135.3177.7-48-167.3163.900110.7
202E47.5Very low47.5Very low192 Ų192144.2 Ų144.290%0.89781%0.807SS**  trans-148.4129.9146.6-155.6-168.9-168.600109.3
203E47.1Very low46.7Very low176 Ų176137.1 Ų137.182%0.82280%0.802SS**  trans-61.7146.1175.2-57.8-159.3151.300111.7
204G44Very low45.9Very low69 Ų69135.3 Ų135.371%0.71180%0.798SS**  trans-162.761.6-178.900000110.6S206G204-S206 PolarHBondContact O-N 3.21Å
205E42.6Very low45.7Very low183 Ų183134.2 Ų134.286%0.85580%0.796SS**  trans-35.3118151.828.5163.9139.700111.8
206S43.5Very low45.3Very low115 Ų115134.7 Ų134.780%0.80480%0.799SS**  trans-154.192.5160.7-177.70000109G204G204-S206 PolarHBondContact O-N 3.21Å
207D43.3Very low45.2Very low172 Ų172140 Ų14092%0.9280%0.801SS**  trans-60134.1161.4-70.6-50.2000109.9
208G45Very low44.8Very low72 Ų72140.1 Ų140.174%0.74280%0.803SS**  trans-155.777-178.200000111.1
209D42.1Very low45Very low158 Ų158142.4 Ų142.485%0.84581%0.808SS**  trans-63.8134.2168.1179.938.5000111.9
210S48.4Very low45.4Very low107 Ų107141.5 Ų141.575%0.74881%0.807SS**  trans176.598.615925.40000107.5
211D49.2Very low45.7Very low117 Ų117145.3 Ų145.363%0.62681%0.807SS**  63.4117.472.7-15934.8000114.5
212R43.2Very low45.5Very low224 Ų224145.1 Ų145.185%0.84581%0.806SS**  trans86.2133.1156.4-74.9161.9-158.8-152.62.5123.5
213G40.7Very low45.6Very low71 Ų71139.9 Ų139.973%0.73280%0.796SS**  trans111.489.9142.200000112.7
214D45Very low46Very low143 Ų143138.4 Ų138.477%0.76579%0.794SS**  51.1104.880.9-166.336.6000113.3
215D45.5Very low46.5Very low145 Ų145142.4 Ų142.478%0.77580%0.798SS**  trans-163.777146.5-91.6-43.5000107.6R217D215-R217 PolarHBondContact O-N 2.96Å
216D50.4Low47.6Very low147 Ų147138.8 Ų138.879%0.78679%0.788SS**  trans-63.7101.3150.417157.9000108.9
217R48.5Very low48.3Very low228 Ų228139.9 Ų139.986%0.8678%0.783SS**  trans-152.5113.4163.7-70.2-163.7-179.3-165.7-1.2113D215D215-R217 PolarHBondContact O-N 2.96Å
218G42.8Very low49.5Very low73 Ų73138.6 Ų138.675%0.75378%0.777SS**  trans112.180.613700000116G220G218-G220 PolarHBondContact O-N 3.18Å
219E47.2Very low50.5Low208 Ų208141.6 Ų141.697%0.97277%0.774SS**  trans-50.3126.2147.8-63.5-177.9160.100109.5
220G48.1Very low51.5Low68 Ų68139.4 Ų139.470%0.70177%0.768SS**  trans-145.592178.800000109.3G218G218-G220 PolarHBondContact O-N 3.18Å
221E45.9Very low51.9Low185 Ų185141.8 Ų141.886%0.86477%0.773SS**  trans31102.6160.669.6-170-143.300118A223E221-A223 PolarHBondContact O-N 2.82Å; E221-A223 VanDerWaalsContact O-N 3.09Å
222E44.6Very low52.4Low195 Ų195148.8 Ų148.891%0.91180%0.802SS**  trans-64100.6152.153.8-151.6156.500109.4D224E222-D224 PolarHBondContact O-N 2.83Å; E222-D224 VanDerWaalsContact O-N 3.07Å
223A50.5Low52.9Low81 Ų81145 Ų14567%0.66980%0.8SS**  trans-65.8106.6167.900000108.6E221 L225E221-A223 PolarHBondContact O-N 2.82Å; E221-A223 VanDerWaalsContact O-N 3.09Å; A223-L225 PolarHBondContact O-N 3.21Å
224D55.9Low53.5Low146 Ų146148.9 Ų148.978%0.78180%0.803SS**  trans-53.599.9173.3-157.614.6000109.6E222 V226E222-D224 PolarHBondContact O-N 2.83Å; E222-D224 VanDerWaalsContact O-N 3.07Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3Å
225L55Low54Low152 Ų152149.2 Ų149.280%0.79681%0.805SS**  trans-77.184.7175.4-71.4174.5000108.3A223 I227A223-L225 PolarHBondContact O-N 3.21Å; L225-I227 PolarHBondContact O-N 3.23Å
226V64.8Low54.5Low107 Ų107149.5 Ų149.565%0.64881%0.807SS**  trans-64.6103.4168.2-179.40000108.1D224 D228D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3Å; V226-D228 PolarHBondContact O-N 3.02Å
227I58.9Low54.7Low138 Ų138149.6 Ų149.671%0.70881%0.808SS**  trans-85.3103.3171.4-59.4171.5000107L225 I229L225-I227 PolarHBondContact O-N 3.23Å; I227-I229 HydrophobicContact CG2-CG1 4.15Å; I227-I229 PolarHBondContact O-N 3.32Å
228D68Low55.2Low146 Ų146144.4 Ų144.478%0.78181%0.805SS**  trans-69.1108.9166.7-86.2-32.8000109.1V226 P230V226-D228 PolarHBondContact O-N 3.02Å; D228-P230 WeakPolarHBondContact O-CD 3.35Å
229I66.2Low56Low134 Ų134149.5 Ų149.569%0.68781%0.809SS**  trans-90.7114.6168.6-59.3174.3000107.2I227 N231I227-I229 HydrophobicContact CG2-CG1 4.15Å; I227-I229 PolarHBondContact O-N 3.32Å; I229-N231 PolarHBondContact O-N 3.03Å
230P61.9Low56.7Low112 Ų112145 Ų14573%0.72780%0.796SS**  trans-71.4127169.528.3-30.8000109.4D228 E232D228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-E232 PolarHBondContact O-N 3.49Å
231N58.1Low57.4Low158 Ų158151.4 Ų151.485%0.84580%0.804SS**  trans-75.5118.4165.7-86.812.4000108.8I229I229-N231 PolarHBondContact O-N 3.03Å
232E59.4Low58.5Low263 Ų263148.4 Ų148.4100%1.22980%0.798SS**  trans-116.20152.2-69.4-165.9-178.500109.4P230P230-E232 PolarHBondContact O-N 3.49Å

Retrieved 232 of 232 residues in 546.9 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).