A0A087YA66_POEFO Loading...

Galactose-3-O-sulfotransferase 1a

AlphaFold DB , UniProt , Accession A0A087YA66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 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
1M46.3Very low46.5Very low244 Ų244140.6 Ų140.6100%1.20271%0.708SS**  045.50-75.1-179.9-109.200112.6
2A45.3Very low47.1Very low88 Ų88138.6 Ų138.673%0.72770%0.697SS**  trans-112-10.3-178.100000114.6
3G43.8Very low47.9Very low62 Ų62132.8 Ų132.864%0.63968%0.676SS**Hα-helixtrans-84.3-20.3-172.300000116.5
4K46Very low48.5Very low189 Ų189134.4 Ų134.482%0.82268%0.676SS**Hα-helixtrans-80.3-35.7-179-86.1-177173.9-179.50112.7R7 Q8K4-R7 PolarHBondContact O-N 3.4Å; K4-Q8 PolarHBondContact O-N 3.47Å
5Q44.4Very low49.3Very low131 Ų131128.4 Ų128.461%0.61266%0.661SS**Hα-helixtrans-69.1-42.2-176.9-136.5164.5-200111.9R7 Q8 W9Q5-R7 VanDerWaalsContact C-N 3.35Å; Q5-R7 PolarHBondContact O-N 3.13Å; Q5-Q8 PolarHBondContact O-N 3.04Å; Q5-W9 VanDerWaalsContact O-CD1 3.22Å; Q5-W9 PolarHBondContact O-N 3.26Å; Q5-W9 VanDerWaalsContact O-N 3.07Å
6G44.8Very low50.4Low41 Ų41127.7 Ų127.742%0.42366%0.658SS.*Hα-helixtrans-67.2-28.7177.300000114.8R10G6-R10 WeakPolarHBondContact O-CB 3.14Å; G6-R10 WeakPolarHBondContact O-CG 3.3Å; G6-R10 PolarHBondContact O-N 3.2Å
7R46Very low51.7Low209 Ų209126 Ų12679%0.78965%0.65SS**Hα-helixtrans-73.1-38.2173.7-103.5-178.7-179.9179.82.4112.1K4 Q5 S11K4-R7 PolarHBondContact O-N 3.4Å; Q5-R7 VanDerWaalsContact C-N 3.35Å; Q5-R7 PolarHBondContact O-N 3.13Å; R7-S11 WeakPolarHBondContact O-CB 3.26Å; R7-S11 PolarHBondContact O-N 3.48Å
8Q47.3Very low52.7Low126 Ų126125.1 Ų125.159%0.58965%0.645SS**Hα-helixtrans-68.1-42.3178.2-158.2172.94.500111.3K4 Q5 S11 M12K4-Q8 PolarHBondContact O-N 3.47Å; Q5-Q8 PolarHBondContact O-N 3.04Å; Q8-S11 WeakPolarHBondContact O-CB 3.48Å; Q8-S11 PolarHBondContact O-N 3.31Å; Q8-M12 WeakPolarHBondContact O-CG 3.46Å; Q8-M12 PolarHBondContact O-N 3.15Å
9W45.4Very low53.6Low181 Ų181120.3 Ų120.369%0.68663%0.629SS**Hα-helixtrans-63.5-42.6174.4-84.265.9000112.9Q5 S11 M12 C13Q5-W9 VanDerWaalsContact O-CD1 3.22Å; Q5-W9 PolarHBondContact O-N 3.26Å; Q5-W9 VanDerWaalsContact O-N 3.07Å; W9-S11 VanDerWaalsContact C-N 3.31Å; W9-S11 PolarHBondContact O-N 3.33Å; W9-M12 PolarHBondContact O-N 3.33Å; W9-C13 WeakPolarHBondContact O-CB 3.4Å; W9-C13 PolarHBondContact O-N 3.1Å
10R49Very low54.6Low195 Ų195118 Ų11874%0.73662%0.621SS**Hα-helixtrans-64.4-34.3173.7-77.7-179.3176.7-168.3-0.3112.7G6 K14G6-R10 WeakPolarHBondContact O-CB 3.14Å; G6-R10 WeakPolarHBondContact O-CG 3.3Å; G6-R10 PolarHBondContact O-N 3.2Å; R10-K14 WeakPolarHBondContact O-CB 3.49Å; R10-K14 VanDerWaalsContact O-CG 3.24Å; R10-K14 WeakPolarHBondContact O-CG 3.47Å; R10-K14 PolarHBondContact O-N 3.47Å
11S53.1Low55.4Low81 Ų81117.2 Ų117.257%0.56662%0.617SS**Hα-helixtrans-71.3-39.9175.8-166.30000112.1R7 Q8 W9 K14 G15R7-S11 WeakPolarHBondContact O-CB 3.26Å; R7-S11 PolarHBondContact O-N 3.48Å; Q8-S11 WeakPolarHBondContact O-CB 3.48Å; Q8-S11 PolarHBondContact O-N 3.31Å; W9-S11 VanDerWaalsContact C-N 3.31Å; W9-S11 PolarHBondContact O-N 3.33Å; S11-K14 PolarHBondContact O-N 3.24Å; S11-G15 PolarHBondContact O-N 3.17Å
12M53.4Low56.6Low116 Ų116109.7 Ų109.757%0.57158%0.581SS**Hα-helixtrans-67.6-42.7175.3-72.6-174.970.800111.8Q8 W9 K14 G15 L16Q8-M12 WeakPolarHBondContact O-CG 3.46Å; Q8-M12 PolarHBondContact O-N 3.15Å; W9-M12 PolarHBondContact O-N 3.33Å; M12-K14 VanDerWaalsContact C-N 3.33Å; M12-K14 PolarHBondContact O-N 3.42Å; M12-G15 PolarHBondContact O-N 2.67Å; M12-L16 WeakPolarHBondContact O-CB 3.47Å; M12-L16 PolarHBondContact O-N 2.95Å
13C57.6Low57.5Low64 Ų64109.3 Ų109.343%0.43257%0.569SS.*Hα-helixtrans-60.7-41.4172.3-80.40000111.9W9 L16 I17W9-C13 WeakPolarHBondContact O-CB 3.4Å; W9-C13 PolarHBondContact O-N 3.1Å; C13-L16 PolarHBondContact O-N 2.93Å; C13-I17 VanDerWaalsContact O-CB 3.31Å; C13-I17 WeakPolarHBondContact O-CB 3.44Å; C13-I17 WeakPolarHBondContact O-CD1 3.11Å; C13-I17 WeakPolarHBondContact O-CG1 3.37Å; C13-I17 PolarHBondContact O-N 2.87Å
14K57Low58.7Low155 Ų155109.3 Ų109.367%0.67456%0.56SS**Hα-helixtrans-64.3-39.1174.7-76.4176.6178.7-168.20112.4R10 S11 M12 L18R10-K14 WeakPolarHBondContact O-CB 3.49Å; R10-K14 VanDerWaalsContact O-CG 3.24Å; R10-K14 WeakPolarHBondContact O-CG 3.47Å; R10-K14 PolarHBondContact O-N 3.47Å; S11-K14 PolarHBondContact O-N 3.24Å; M12-K14 VanDerWaalsContact C-N 3.33Å; M12-K14 PolarHBondContact O-N 3.42Å; K14-L18 WeakPolarHBondContact O-CB 3.44Å; K14-L18 PolarHBondContact O-N 3.48Å
15G60.5Low59.7Low44 Ų44103.3 Ų103.345%0.45454%0.541SS..Hα-helixtrans-67.2-40.1175.100000113.1S11 M12 G19S11-G15 PolarHBondContact O-N 3.17Å; M12-G15 PolarHBondContact O-N 2.67Å; G15-G19 WeakPolarHBondContact O-CA 3.33Å; G15-G19 PolarHBondContact O-N 3.05Å
16L67Low60.2Low117 Ų117100 Ų10061%0.61353%0.526SS*.Hα-helixtrans-66.2-45.8174.1-97.8149.8000111.7M12 C13 G19 T20M12-L16 WeakPolarHBondContact O-CB 3.47Å; M12-L16 PolarHBondContact O-N 2.95Å; C13-L16 PolarHBondContact O-N 2.93Å; L16-G19 PolarHBondContact O-N 3.39Å; L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 2.7Å
17I72.3Confident61.1Low99 Ų99102.6 Ų102.651%0.50853%0.53SS..Hα-helixtrans-64.5-44177.4-68.9164.1000110.6C13 G19 T20 L21C13-I17 VanDerWaalsContact O-CB 3.31Å; C13-I17 WeakPolarHBondContact O-CB 3.44Å; C13-I17 WeakPolarHBondContact O-CD1 3.11Å; C13-I17 WeakPolarHBondContact O-CG1 3.37Å; C13-I17 PolarHBondContact O-N 2.87Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-T20 WeakPolarHBondContact CA-OG1 3.22Å; I17-T20 PolarHBondContact O-OG1 2.96Å; I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 VanDerWaalsContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 2.85Å
18L70Confident61.6Low110 Ų11097.4 Ų97.458%0.57652%0.517SS*.Hα-helixtrans-66.4-39.2176.5-172.568000110.8K14 L21 L22K14-L18 WeakPolarHBondContact O-CB 3.44Å; K14-L18 PolarHBondContact O-N 3.48Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-L22 HydrophobicContact CD1-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 PolarHBondContact O-N 3.01Å
19G69.2Low62.1Low33 Ų3397.1 Ų97.134%0.3452%0.519SS..Hα-helixtrans-61.7-49.6175.100000112G15 L16 I17 L22 T23G15-G19 WeakPolarHBondContact O-CA 3.33Å; G15-G19 PolarHBondContact O-N 3.05Å; L16-G19 PolarHBondContact O-N 3.39Å; I17-G19 VanDerWaalsContact C-N 3.33Å; G19-L22 PolarHBondContact O-N 2.9Å; G19-T23 WeakPolarHBondContact O-CG2 3.3Å; G19-T23 PolarHBondContact O-N 3.02Å; G19-T23 PolarHBondContact O-OG1 2.88Å
20T73.1Confident62.5Low75 Ų7592.8 Ų92.846%0.4650%0.503SS..Hα-helixtrans-65.5-40.7175.839.20000112L16 I17 L22 T23 S24L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 2.7Å; I17-T20 WeakPolarHBondContact CA-OG1 3.22Å; I17-T20 PolarHBondContact O-OG1 2.96Å; T20-L22 PolarHBondContact O-N 2.74Å; T20-T23 VanDerWaalsContact CA-OG1 3.29Å; T20-T23 WeakPolarHBondContact CA-OG1 3.35Å; T20-T23 PolarHBondContact O-N 3.47Å; T20-T23 PolarHBondContact O-OG1 3.31Å; T20-S24 WeakPolarHBondContact O-CB 3.45Å; T20-S24 PolarHBondContact O-N 3.37Å; T20-S24 PolarHBondContact O-OG 2.83Å
21L71.8Confident62.5Low101 Ų10187.1 Ų87.153%0.52949%0.492SS..Hα-helixtrans-62.2-42.5173.8-108135.2000112I17 L18 C25I17-L21 HydrophobicContact CG2-CD1 3.92Å; I17-L21 VanDerWaalsContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CB 3.46Å; I17-L21 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 3.42Å; L21-C25 WeakPolarHBondContact O-CB 3.2Å; L21-C25 PolarHBondContact O-N 3.37Å
22L72.3Confident62.1Low86 Ų8688 Ų8845%0.4549%0.49SS..Hα-helixtrans-66.2-45.6176.7-115.7131.4000110.9L18 G19 T20 C25 M26L18-L22 HydrophobicContact CD1-CD1 4.45Å; L18-L22 HydrophobicContact CG-CD1 4.22Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 PolarHBondContact O-N 3.01Å; G19-L22 PolarHBondContact O-N 2.9Å; T20-L22 PolarHBondContact O-N 2.74Å; L22-C25 PolarHBondContact O-N 2.68Å; L22-M26 HydrophobicContact CD2-CE 4.18Å; L22-M26 HydrophobicContact CD2-CG 4.49Å; L22-M26 WeakPolarHBondContact O-CB 3.44Å; L22-M26 WeakPolarHBondContact O-CG 3.39Å; L22-M26 PolarHBondContact O-N 3.21Å
23T64Low61.4Low80 Ų8087.4 Ų87.449%0.49150%0.495SS..Hα-helixtrans-65.9-40.3177.152.30000111.5G19 T20 M26 I27G19-T23 WeakPolarHBondContact O-CG2 3.3Å; G19-T23 PolarHBondContact O-N 3.02Å; G19-T23 PolarHBondContact O-OG1 2.88Å; T20-T23 VanDerWaalsContact CA-OG1 3.29Å; T20-T23 WeakPolarHBondContact CA-OG1 3.35Å; T20-T23 PolarHBondContact O-N 3.47Å; T20-T23 PolarHBondContact O-OG1 3.31Å; T23-M26 PolarHBondContact O-N 3.16Å; T23-I27 VanDerWaalsContact O-CB 3.29Å; T23-I27 WeakPolarHBondContact O-CB 3.41Å; T23-I27 WeakPolarHBondContact O-CD1 3.38Å; T23-I27 WeakPolarHBondContact O-CG1 3.44Å; T23-I27 PolarHBondContact O-N 2.94Å
24S68.1Low60.9Low62 Ų6290.8 Ų90.843%0.43451%0.507SS..Hα-helixtrans-68.9-40.7177.4-66.60000111.8T20 M26 L28T20-S24 WeakPolarHBondContact O-CB 3.45Å; T20-S24 PolarHBondContact O-N 3.37Å; T20-S24 PolarHBondContact O-OG 2.83Å; S24-M26 VanDerWaalsContact C-N 3.34Å; S24-L28 VanDerWaalsContact O-CB 3.26Å; S24-L28 WeakPolarHBondContact O-CB 3.05Å; S24-L28 WeakPolarHBondContact O-CD1 3.42Å; S24-L28 PolarHBondContact O-N 2.95Å
25C66.7Low60Low64 Ų6492.1 Ų92.143%0.43252%0.516SS..Hα-helixtrans-66.3-35.2171.8-84.90000112.1L21 L22 L28 L29L21-C25 WeakPolarHBondContact O-CB 3.2Å; L21-C25 PolarHBondContact O-N 3.37Å; L22-C25 PolarHBondContact O-N 2.68Å; C25-L28 PolarHBondContact O-N 2.03Å; C25-L29 WeakPolarHBondContact O-CB 3.01Å; C25-L29 VanDerWaalsContact O-CG 3.24Å; C25-L29 WeakPolarHBondContact O-CG 3.41Å; C25-L29 PolarHBondContact O-N 3.26Å
26M56.8Low59.3Low60 Ų6094 Ų9430%0.29651%0.513SS..Hα-helixtrans-74.2-37.9176.9-71.7-69.5158.600112L22 T23 S24 L29 Y30 L415L22-M26 HydrophobicContact CD2-CE 4.18Å; L22-M26 HydrophobicContact CD2-CG 4.49Å; L22-M26 WeakPolarHBondContact O-CB 3.44Å; L22-M26 WeakPolarHBondContact O-CG 3.39Å; L22-M26 PolarHBondContact O-N 3.21Å; T23-M26 PolarHBondContact O-N 3.16Å; S24-M26 VanDerWaalsContact C-N 3.34Å; M26-L29 HydrophobicContact CE-CD1 4.29Å; M26-L29 PolarHBondContact O-N 2.9Å; M26-L29 HydrophobicContact SD-CD1 4.13Å; M26-Y30 WeakPolarHBondContact O-CB 3.38Å; M26-Y30 PolarHBondContact O-N 3.38Å; M26-L415 HydrophobicContact CE-CD2 4.46Å
27I62.7Low57.9Low97 Ų9791.8 Ų91.850%0.49751%0.511SS..Hα-helixtrans-63.9-44.4169.8-69.6163.2000108.9T23 L29 Y30 C31T23-I27 VanDerWaalsContact O-CB 3.29Å; T23-I27 WeakPolarHBondContact O-CB 3.41Å; T23-I27 WeakPolarHBondContact O-CD1 3.38Å; T23-I27 WeakPolarHBondContact O-CG1 3.44Å; T23-I27 PolarHBondContact O-N 2.94Å; I27-L29 PolarHBondContact O-N 3.08Å; I27-Y30 CarbonylContact O-C 3.59Å; I27-Y30 PolarHBondContact O-N 2.85Å; I27-Y30 VanDerWaalsContact O-N 3.1Å; I27-C31 WeakPolarHBondContact O-CA 3.26Å; I27-C31 WeakPolarHBondContact O-CB 3.2Å; I27-C31 PolarHBondContact O-N 2.79Å; I27-C31 PolarHBondContact O-SG 3.34Å
28L55.8Low56.3Low100 Ų10095 Ų9552%0.52452%0.524SS..Hα-helixtrans-60.5-41171.8-90.3151.5000112S24 C25 Y30 C31 L32S24-L28 VanDerWaalsContact O-CB 3.26Å; S24-L28 WeakPolarHBondContact O-CB 3.05Å; S24-L28 WeakPolarHBondContact O-CD1 3.42Å; S24-L28 PolarHBondContact O-N 2.95Å; C25-L28 PolarHBondContact O-N 2.03Å; L28-Y30 VanDerWaalsContact C-N 3.25Å; L28-Y30 PolarHBondContact O-N 3.39Å; L28-C31 PolarHBondContact O-N 3.36Å; L28-L32 WeakPolarHBondContact O-CA 3.49Å; L28-L32 WeakPolarHBondContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CD1 3.33Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.05Å
29L58.3Low55.1Low120 Ų12098.1 Ų98.163%0.62853%0.533SS*.Hα-helixtrans-67.8-25.3174.7-76.2164.6000113.1C25 M26 I27C25-L29 WeakPolarHBondContact O-CB 3.01Å; C25-L29 VanDerWaalsContact O-CG 3.24Å; C25-L29 WeakPolarHBondContact O-CG 3.41Å; C25-L29 PolarHBondContact O-N 3.26Å; M26-L29 HydrophobicContact CE-CD1 4.29Å; M26-L29 PolarHBondContact O-N 2.9Å; M26-L29 HydrophobicContact SD-CD1 4.13Å; I27-L29 PolarHBondContact O-N 3.08Å
30Y54.4Low54.1Low90 Ų90103.4 Ų103.435%0.35355%0.554SS.*Hα-helixtrans-86.5-31.9176.4-161.1-95.7000112.8M26 I27 L28M26-Y30 WeakPolarHBondContact O-CB 3.38Å; M26-Y30 PolarHBondContact O-N 3.38Å; I27-Y30 CarbonylContact O-C 3.59Å; I27-Y30 PolarHBondContact O-N 2.85Å; I27-Y30 VanDerWaalsContact O-N 3.1Å; L28-Y30 VanDerWaalsContact C-N 3.25Å; L28-Y30 PolarHBondContact O-N 3.39Å
31C48.3Very low53.2Low75 Ų75102.5 Ų102.551%0.50755%0.549SS..Hα-helixtrans-104.9-9.8-173.7-64.40000113.3I27 L28 P33I27-C31 WeakPolarHBondContact O-CA 3.26Å; I27-C31 WeakPolarHBondContact O-CB 3.2Å; I27-C31 PolarHBondContact O-N 2.79Å; I27-C31 PolarHBondContact O-SG 3.34Å; L28-C31 PolarHBondContact O-N 3.36Å; C31-P33 WeakPolarHBondContact O-CD 3.48Å
32L43.8Very low52.3Low101 Ų101102.9 Ų102.953%0.52956%0.558SS.*  trans-58.8109.8167.8-89.9163.9000105.2L28 I34L28-L32 WeakPolarHBondContact O-CA 3.49Å; L28-L32 WeakPolarHBondContact O-CB 3.29Å; L28-L32 WeakPolarHBondContact O-CD1 3.33Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 3.05Å; L32-I34 VanDerWaalsContact C-N 3.33Å; L32-I34 PolarHBondContact O-N 3.09Å
33P40.6Very low51.8Low103 Ų103105.6 Ų105.667%0.66957%0.568SS**  trans-62.6113.2161.613.50.4000102.7C31 Q35C31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-Q35 PolarHBondContact O-N 3.3Å
34I46.6Very low52Low135 Ų135106.1 Ų106.169%0.69257%0.567SS**  trans-54.8108.7151.6-62173.6000101.6L32 Q36L32-I34 VanDerWaalsContact C-N 3.33Å; L32-I34 PolarHBondContact O-N 3.09Å; I34-Q36 HydrophobicContact CG2-CG 4.48Å; I34-Q36 PolarHBondContact O-N 3.45Å
35Q36.8Very low52.1Low183 Ų183108.4 Ų108.486%0.85558%0.58SS**  trans-5691.8165.3-91.2-178.4-51.100104.1P33 A37P33-Q35 PolarHBondContact O-N 3.3Å; Q35-A37 PolarHBondContact O-N 2.83Å
36Q45.8Very low52.4Low82 Ų82107 Ų10738%0.38357%0.569SS.*  trans-66.993.8162.5-71.9179-43.200101.8I34 H38 Q124 S126I34-Q36 HydrophobicContact CG2-CG 4.48Å; I34-Q36 PolarHBondContact O-N 3.45Å; Q36-H38 PolarHBondContact O-N 3.11Å; Q36-Q124 VanDerWaalsContact OE1-CD 3.26Å; Q36-S126 PolarHBondContact NE2-OG 3.23Å
37A39.3Very low52.9Low71 Ų71106.8 Ų106.859%0.58757%0.573SS**  trans-46116.8158.500000104.6Q35 F39Q35-A37 PolarHBondContact O-N 2.83Å; A37-F39 HydrophobicContact CB-CD2 3.92Å; A37-F39 HydrophobicContact CB-CE2 4.32Å; A37-F39 PolarHBondContact O-N 3.18Å
38H38.8Very low53Low167 Ų167110.4 Ų110.477%0.77358%0.581SS**  trans-66.170.8172.3-83.4-78.4000107.2Q36 N40Q36-H38 PolarHBondContact O-N 3.11Å; H38-N40 PolarHBondContact O-N 3.25Å
39F44.7Very low53.7Low175 Ų175108.1 Ų108.177%0.76857%0.574SS**  trans-67.9110.4156.6-94.6-90.6000104.3A37 P41A37-F39 HydrophobicContact CB-CD2 3.92Å; A37-F39 HydrophobicContact CB-CE2 4.32Å; A37-F39 PolarHBondContact O-N 3.18Å; F39-P41 WeakPolarHBondContact O-CD 3.45Å
40N46.8Very low54.3Low144 Ų144103.6 Ų103.677%0.7755%0.552SS**  trans-84.286.7158.6-77.7-21.9000105.8H38H38-N40 PolarHBondContact O-N 3.25Å
41P54.3Low54.6Low57 Ų57102 Ų10237%0.3756%0.557SS.*  trans-58.2152.5168.928.7-35.7000108.5F39 E43 P133F39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-E43 PolarHBondContact O-N 3.2Å; P41-P133 HydrophobicContact CB-CG 4.34Å; P41-P133 HydrophobicContact CG-CG 4.46Å
42P53.5Low54.3Low109 Ų109107.5 Ų107.571%0.70858%0.575SS**  trans-50.6131.1174.319.7-30.5000109.9I44P42-I44 PolarHBondContact O-N 3Å
43E61.4Low54.2Low143 Ų143113.1 Ų113.167%0.66859%0.59SS**  trans-69.699-179.4-69.8-162.6143.700109.3P41 K153P41-E43 PolarHBondContact O-N 3.2Å; E43-K153 IonicContact OE1-NZ 3.31Å; E43-K153 PolarHBondContact OE1-NZ 3Å
44I68.3Low53.9Low91 Ų91113 Ų11347%0.46759%0.589SS.*PPolyproline II helixtrans-84.7118.1169.5-54.8-176.1000106.8P42 P133P42-I44 PolarHBondContact O-N 3Å; I44-P133 HydrophobicContact CB-CB 4.44Å; I44-P133 HydrophobicContact CD1-CB 3.9Å; I44-P133 HydrophobicContact CG1-CB 4.24Å
45P69.9Low53.2Low110 Ų110111.6 Ų111.671%0.71459%0.591SS**PPolyproline II helixtrans-62.8141.9179.924.9-32.3000110.5
46V74.2Confident53.2Low33 Ų33110.4 Ų110.420%0.259%0.585CS.*PPolyproline II helixtrans-62.7136171.6-172.50000107.9C136 K153V46-C136 HydrophobicContact CG1-CB 3.88Å; V46-K153 WeakPolarHBondContact CG2-O 3.47Å
47P67.5Low52.6Low57 Ų57113.9 Ų113.937%0.3761%0.605SS.*PPolyproline II helixtrans-58.8151.4174.525.5-35000110.9S49 C136P47-S49 PolarHBondContact O-N 3.25Å; P47-C136 HydrophobicContact CG-CB 3.68Å
48Y63.4Low52.5Low172 Ų172118 Ų11868%0.67561%0.612SS**SBendtrans-58.3-21.9177.9-177.2-98.4000113.1
49S71.2Confident52.5Low53 Ų53115.4 Ų115.437%0.37161%0.61SS.*  trans-145.4142.6173-178.10000110.1P47 A51P47-S49 PolarHBondContact O-N 3.25Å; S49-A51 PolarHBondContact O-N 3.29Å; S49-A51 PolarHBondContact OG-N 3.45Å
50C70.8Confident52Low24 Ų24117 Ų11716%0.16262%0.616CS.*SBendtrans-73.8-7173.6-51.30000113.1H52 C136 F137 P156C50-H52 PolarHBondContact O-N 3.15Å; C50-C136 WeakPolarHBondContact CA-SG 3.38Å; C50-C136 HydrophobicContact CB-CB 3.65Å; C50-C136 WeakPolarHBondContact CB-SG 3.45Å; C50-C136 PolarHBondContact N-SG 3.23Å; C50-C136 VanDerWaalsContact N-SG 3.35Å; C50-C136 WeakPolarHBondContact SG-CB 3.45Å; C50-C136 CovalentContact SG-SG 2.04Å; C50-C136 PolarHBondContact SG-SG 3.16Å; C50-F137 PolarHBondContact SG-N 2.61Å; C50-F137 PolarHBondContact SG-O 2.57Å; C50-P156 VanDerWaalsContact SG-CG 3.57Å
51A59.8Low51.3Low56 Ų56116.3 Ų116.346%0.46362%0.618SS.*  trans-80.6117.1179.200000111.6S49 R53S49-A51 PolarHBondContact O-N 3.29Å; S49-A51 PolarHBondContact OG-N 3.45Å; A51-R53 VanDerWaalsContact C-N 3.29Å; A51-R53 HydrophobicContact CB-CG 4.36Å; A51-R53 PolarHBondContact O-N 2.98Å; A51-R53 VanDerWaalsContact O-N 3.1Å
52H43.6Very low50.6Low192 Ų192119 Ų11989%0.88964%0.638SS**  trans-65.897.6140.6-101.87.2000106.8C50 P54C50-H52 PolarHBondContact O-N 3.15Å; H52-P54 WeakPolarHBondContact O-CD 3.39Å
53R40.1Very low49.6Very low219 Ų219120.4 Ų120.483%0.82665%0.645SS**  trans-73113.9161.4-79.6-176.2-179.2177.72.1106.7A51 S55A51-R53 VanDerWaalsContact C-N 3.29Å; A51-R53 HydrophobicContact CB-CG 4.36Å; A51-R53 PolarHBondContact O-N 2.98Å; A51-R53 VanDerWaalsContact O-N 3.1Å; R53-S55 PolarHBondContact O-N 2.9Å
54P34.8Very low48.4Very low101 Ų101121.1 Ų121.166%0.65665%0.653SS**  trans-59.2124.3156.111.8-4.8000106.1H52 H56H52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-H56 PolarHBondContact O-N 3.38Å
55S32.2Very low47.1Very low105 Ų105125.5 Ų125.573%0.73467%0.674SS**  trans-64.177176.831.60000110.3R53 L57R53-S55 PolarHBondContact O-N 2.9Å; S55-L57 PolarHBondContact O-N 3.43Å; S55-L57 VanDerWaalsContact O-N 3.08Å
56H36Very low45.4Very low157 Ų157125.5 Ų125.573%0.72768%0.676SS**  trans-81.472.1155.2-77.2-74.4000108.3P54 H58P54-H56 PolarHBondContact O-N 3.38Å; H56-H58 PolarHBondContact O-N 3.48Å
57L34.9Very low44Very low155 Ų155133.7 Ų133.781%0.81271%0.713SS**  trans-64.589.6155.1-90.5149.5000107.1S55S55-L57 PolarHBondContact O-N 3.43Å; S55-L57 VanDerWaalsContact O-N 3.08Å
58H36Very low42.6Very low158 Ų158140.1 Ų140.173%0.73174%0.735SS**  trans-77.5124.2153.8-89.4-61.4000107.6H56 K60H56-H58 PolarHBondContact O-N 3.48Å; H58-K60 PolarHBondContact O-N 3.19Å
59P37.9Very low41.4Very low113 Ų113139.8 Ų139.873%0.73474%0.744SS**  trans-64.8119.6177.726.8000108.7T61P59-T61 PolarHBondContact O-N 3.46Å
60K34.7Very low39.9Very low207 Ų207142.3 Ų142.390%0.976%0.762SS**  trans-73.7104.2166.3-79.5-175.5176.9179.20108H58 S62H58-K60 PolarHBondContact O-N 3.19Å; K60-S62 PolarHBondContact O-N 3.4Å
61T33.5Very low38.8Very low131 Ų131146.2 Ų146.280%0.80479%0.79SS**  trans-62.3124162.4-13.90000108.3P59P59-T61 PolarHBondContact O-N 3.46Å
62S37.7Very low38.6Very low113 Ų113152.3 Ų152.379%0.7981%0.809SS**  trans-66127.1174.4360000110.5K60K60-S62 PolarHBondContact O-N 3.4Å
63T34.2Very low39.8Very low139 Ų139148.7 Ų148.785%0.85381%0.805SS**  trans-149.3145.4158.11.80000110.8
64N34.7Very low42Very low157 Ų157142 Ų14284%0.8479%0.791SS**  trans-65.8152.7-154.6-76.4-30.7000117.7
65M42.5Very low44.6Very low184 Ų184141.7 Ų141.791%0.90679%0.791SS**  trans-3.8122.6155.5-69.7174.666.200118.3
66S33Very low47.6Very low109 Ų109140 Ų14076%0.76278%0.777SS**  trans-145.6130.5138.2350000108.8K68S66-K68 PolarHBondContact O-N 2.8Å; S66-K68 VanDerWaalsContact O-N 3.07Å
67Q46.3Very low50.4Low206 Ų206136.5 Ų136.596%0.96376%0.76SS**  trans-55.1109.9176.3-77.9169.8-39.700109.8
68K36.6Very low53.3Low192 Ų192131.1 Ų131.184%0.83573%0.733SS**  trans-113.1122.7164.5-113178178.5177.50106.7S66 S70S66-K68 PolarHBondContact O-N 2.8Å; S66-K68 VanDerWaalsContact O-N 3.07Å; K68-S70 PolarHBondContact O-N 3.07Å
69N38.1Very low56.1Low164 Ų164124.4 Ų124.488%0.87770%0.703SS**  trans-39.9113.2166.3-79.2-21.3000108.7S71N69-S71 PolarHBondContact O-N 3.32Å
70S39.6Very low59Low106 Ų106119 Ų11974%0.74167%0.668SS**  trans-72.984.5179.259.30000108K68 Q72K68-S70 PolarHBondContact O-N 3.07Å; S70-Q72 VanDerWaalsContact C-N 3.25Å; S70-Q72 PolarHBondContact O-N 2.83Å
71S48.9Very low62Low106 Ų106109.2 Ų109.274%0.74163%0.625SS**  trans-52.3105.7145.854.10000105.1N69 S73N69-S71 PolarHBondContact O-N 3.32Å; S71-S73 PolarHBondContact O-N 3.26Å
72Q55.3Low65.1Low185 Ų185103 Ų10386%0.86459%0.587SS**  trans-54.1102.6179.9-110.9164.4-20.900107.6S70 C74S70-Q72 VanDerWaalsContact C-N 3.25Å; S70-Q72 PolarHBondContact O-N 2.83Å; Q72-C74 PolarHBondContact O-N 2.93Å
73S69.1Low68Low115 Ų11597.6 Ų97.680%0.80455%0.55SS*.  trans-70.797.7175.7175.20000106.5S71S71-S73 PolarHBondContact O-N 3.26Å
74C85.9Confident71Confident79 Ų7991 Ų9153%0.53451%0.509SS..PPolyproline II helixtrans-88.5137174.679.50000110Q72 C269Q72-C74 PolarHBondContact O-N 2.93Å; C74-C269 HydrophobicContact CB-CB 4.01Å; C74-C269 WeakPolarHBondContact CB-SG 3.45Å; C74-C269 WeakPolarHBondContact SG-CB 3.46Å; C74-C269 CovalentContact SG-SG 2.03Å; C74-C269 PolarHBondContact SG-SG 2.89Å
75S89.8Confident74Confident95 Ų9583.5 Ų83.566%0.66447%0.469SS*.PPolyproline II helixtrans-90.3138.8-178.6-62.30000109.9K77S75-K77 PolarHBondContact O-N 3.08Å
76P94.1Very high76.5Confident68 Ų6875.4 Ų75.444%0.44243%0.429SS..PPolyproline II helixtrans-57.1128177-24.132.8000111.5L268 C269P76-L268 WeakPolarHBondContact CA-O 3.24Å; P76-C269 WeakPolarHBondContact CA-O 3.26Å
77K95Very high79.4Confident85 Ų8572.4 Ų72.437%0.3740%0.402SS..PPolyproline II helixtrans-76.5133171.5-64.6-163.1179.8-171.50109.7S75 S160 L268 W270S75-K77 PolarHBondContact O-N 3.08Å; K77-S160 WeakPolarHBondContact CD-OG 3.46Å; K77-S160 PolarHBondContact NZ-OG 2.96Å; K77-L268 HydrophobicContact CB-CB 4.36Å; K77-L268 HydrophobicContact CB-CD2 4.06Å; K77-L268 HydrophobicContact CD-CD2 4.19Å; K77-L268 PolarHBondContact N-O 3.11Å; K77-W270 PolarHBondContact O-NE1 3.42Å
78V95.7Very high81.7Confident41 Ų4162.6 Ų62.625%0.24836%0.356CS..  trans-116.4-19.8-175.8-63.70000113.5F100 L106V78-F100 HydrophobicContact CG1-CE1 4.21Å; V78-F100 HydrophobicContact CG1-CZ 4.31Å; V78-L106 HydrophobicContact CB-CD1 3.84Å; V78-L106 HydrophobicContact CB-CD2 3.82Å; V78-L106 HydrophobicContact CG1-CD1 4.31Å; V78-L106 HydrophobicContact CG1-CD2 4.25Å; V78-L106 HydrophobicContact CG2-CD2 4.3Å
79D96.4Very high84.2Confident18 Ų1855.2 Ų55.210%0.09633%0.331CS..  trans-91.2110.6177.8-56.5-55.6000109.7N138 P156 T159 S160D79-N138 CarbonylContact C-O 3.55Å; D79-N138 VanDerWaalsContact CA-O 3.27Å; D79-N138 WeakPolarHBondContact CA-O 3.31Å; D79-N138 WeakPolarHBondContact OD1-CA 3.35Å; D79-N138 PolarHBondContact OD1-ND2 3.44Å; D79-P156 HydrophobicContact CB-CG 4.25Å; D79-T159 HydrophobicContact CB-CG2 4.48Å; D79-S160 PolarHBondContact O-N 2.91Å
80I97.8Very high86.7Confident0 Ų047.6 Ų47.60%029%0.291CS..EExtended strand (participates in β ladder)trans-135121.6-168.3-61.8166.7000110.4L97 N138 I139 I140 I162 L268 W270I80-L97 HydrophobicContact CD1-CD2 4.3Å; I80-L97 HydrophobicContact CG2-CD2 4.25Å; I80-N138 PolarHBondContact N-O 3.29Å; I80-I139 HydrophobicContact CB-CG1 4.42Å; I80-I139 VanDerWaalsContact O-CA 3.31Å; I80-I139 WeakPolarHBondContact O-CA 3.47Å; I80-I140 PolarHBondContact O-N 3.44Å; I80-I140 VanDerWaalsContact O-N 3.08Å; I80-I162 HydrophobicContact CG2-CD1 3.92Å; I80-L268 HydrophobicContact CD1-CD1 3.83Å; I80-L268 HydrophobicContact CG1-CD1 4.35Å; I80-W270 HydrophobicContact CD1-CH2 3.76Å; I80-W270 HydrophobicContact CD1-CZ2 3.18Å
81M98.1Very high89.3Confident0 Ų043.4 Ų43.40%026%0.261CS..EExtended strand (participates in β ladder)trans-98.6110.1162.9-169.4-77.2167.100107.9M83 M144 F146 V151 L155 T159 S160 Y161 I162 F248M81-M83 HydrophobicContact CE-CB 3.68Å; M81-M83 HydrophobicContact CE-CG 4.3Å; M81-M83 HydrophobicContact CE-SD 3.81Å; M81-M83 HydrophobicContact SD-CB 3.85Å; M81-M83 PolarHBondContact SD-N 3.06Å; M81-M144 HydrophobicContact CE-CE 4.3Å; M81-M144 HydrophobicContact CE-SD 4.07Å; M81-F146 HydrophobicContact CE-CD2 3.82Å; M81-F146 HydrophobicContact CE-CE2 3.62Å; M81-F146 HydrophobicContact SD-CE2 4.36Å; M81-V151 HydrophobicContact CE-CG1 4.35Å; M81-V151 HydrophobicContact CG-CG1 3.78Å; M81-L155 HydrophobicContact CB-CD1 3.69Å; M81-L155 HydrophobicContact CG-CD1 3.85Å; M81-T159 HydrophobicContact CB-CG2 3.95Å; M81-S160 PolarHBondContact N-O 3.06Å; M81-Y161 HydrophobicContact CB-CD1 3.74Å; M81-Y161 HydrophobicContact CB-CD2 4.29Å; M81-Y161 HydrophobicContact CB-CE1 3.81Å; M81-Y161 HydrophobicContact CB-CE2 4.34Å; M81-Y161 HydrophobicContact CB-CG 3.99Å; M81-Y161 HydrophobicContact CG-CD1 3.74Å; M81-Y161 HydrophobicContact CG-CE1 3.59Å; M81-Y161 HydrophobicContact CG-CG 4.49Å; M81-Y161 WeakPolarHBondContact O-CA 3.41Å; M81-Y161 HydrophobicContact SD-CD1 3.7Å; M81-Y161 HydrophobicContact SD-CE1 4Å; M81-I162 PolarHBondContact O-N 3.35Å; M81-F248 HydrophobicContact SD-CE1 4.22Å
82F98.6Very high91.5Very high0 Ų038.5 Ų38.50%023%0.227CC..EExtended strand (participates in β ladder)trans-99.8106.1169.2175.9-125.7000110K84 F93 L97 I140 C141 I162 I164 M252F82-K84 HydrophobicContact CD1-CB 4.07Å; F82-K84 HydrophobicContact CE1-CB 3.75Å; F82-K84 HydrophobicContact CE1-CG 3.78Å; F82-K84 HydrophobicContact CZ-CB 4.35Å; F82-K84 HydrophobicContact CZ-CG 4.36Å; F82-K84 PolarHBondContact O-N 3.45Å; F82-F93 HydrophobicContact CB-CE1 4.32Å; F82-F93 AromaticContact CD1-CD1 3.87Å; F82-F93 HydrophobicContact CD1-CD1 3.87Å; F82-F93 HydrophobicContact CD1-CE1 4.22Å; F82-F93 AromaticContact CD2-CD1 3.64Å; F82-F93 HydrophobicContact CD2-CD1 3.64Å; F82-F93 AromaticContact CD2-CE1 3.54Å; F82-F93 HydrophobicContact CD2-CE1 3.54Å; F82-F93 AromaticContact CE1-CD1 3.71Å; F82-F93 HydrophobicContact CE1-CD1 3.71Å; F82-F93 HydrophobicContact CE1-CE1 4.46Å; F82-F93 AromaticContact CE2-CD1 3.49Å; F82-F93 HydrophobicContact CE2-CD1 3.49Å; F82-F93 VanDerWaalsContact CE2-CD1 3.49Å; F82-F93 AromaticContact CE2-CE1 3.84Å; F82-F93 HydrophobicContact CE2-CE1 3.84Å; F82-F93 AromaticContact CG-CD1 3.84Å; F82-F93 HydrophobicContact CG-CD1 3.84Å; F82-F93 AromaticContact CG-CE1 3.76Å; F82-F93 HydrophobicContact CG-CE1 3.76Å; F82-F93 HydrophobicContact CZ-CB 4.49Å; F82-F93 AromaticContact CZ-CD1 3.53Å; F82-F93 HydrophobicContact CZ-CD1 3.53Å; F82-F93 HydrophobicContact CZ-CE1 4.31Å; F82-F93 HydrophobicContact CZ-CG 4.46Å; F82-L97 HydrophobicContact CB-CD1 3.54Å; F82-L97 HydrophobicContact CD1-CD1 3.75Å; F82-L97 HydrophobicContact CG-CD1 3.81Å; F82-I140 PolarHBondContact N-O 3.45Å; F82-C141 HydrophobicContact CB-CB 3.99Å; F82-C141 HydrophobicContact CD1-CB 4Å; F82-I162 CarbonylContact C-O 3.11Å; F82-I162 VanDerWaalsContact CA-O 3.31Å; F82-I162 WeakPolarHBondContact CA-O 3.3Å; F82-I162 HydrophobicContact CD2-CG2 4.49Å; F82-I164 HydrophobicContact CE2-CB 4.44Å; F82-I164 HydrophobicContact CE2-CG2 3.87Å; F82-I164 HydrophobicContact CZ-CG2 3.76Å; F82-M252 HydrophobicContact CE2-CE 4.41Å
83M98.3Very high93.5Very high0 Ų029.7 Ų29.70%019%0.186CC..EExtended strand (participates in β ladder)trans-75.697.9171.5-175.656.1-156.200108.8M81 T85 M144 F146 I162 T163 D223 F224 F248M81-M83 HydrophobicContact CE-CB 3.68Å; M81-M83 HydrophobicContact CE-CG 4.3Å; M81-M83 HydrophobicContact CE-SD 3.81Å; M81-M83 HydrophobicContact SD-CB 3.85Å; M81-M83 PolarHBondContact SD-N 3.06Å; M83-T85 PolarHBondContact O-N 2.79Å; M83-M144 HydrophobicContact CE-CG 3.79Å; M83-M144 VanDerWaalsContact CE-O 3.24Å; M83-M144 WeakPolarHBondContact CE-O 3.33Å; M83-M144 HydrophobicContact SD-CG 3.6Å; M83-M144 VanDerWaalsContact SD-CG 3.6Å; M83-M144 HydrophobicContact SD-SD 3.99Å; M83-F146 HydrophobicContact CE-CB 3.88Å; M83-F146 HydrophobicContact SD-CB 3.79Å; M83-F146 HydrophobicContact SD-CD2 3.77Å; M83-F146 HydrophobicContact SD-CG 4.08Å; M83-I162 PolarHBondContact N-O 2.88Å; M83-T163 WeakPolarHBondContact O-CB 3.29Å; M83-T163 PolarHBondContact O-OG1 2.97Å; M83-D223 HydrophobicContact CE-CB 4.19Å; M83-D223 WeakPolarHBondContact CE-O 3.31Å; M83-F224 HydrophobicContact CB-CE1 4.43Å; M83-F224 HydrophobicContact CG-CD1 4.15Å; M83-F224 HydrophobicContact CG-CE1 3.92Å; M83-F248 HydrophobicContact CB-CE1 3.43Å; M83-F248 VanDerWaalsContact CB-CE1 3.43Å; M83-F248 HydrophobicContact CB-CZ 3.53Å; M83-F248 HydrophobicContact CG-CE1 4.4Å; M83-F248 HydrophobicContact CG-CZ 4.05Å
84K97.6Very high94.9Very high1 Ų124.3 Ų24.30%0.00415%0.148CC..  trans-77.3105.2-177.5-169.6-173.3-175.1-155.50111F82 S90 L94 C141 H143 E399F82-K84 HydrophobicContact CD1-CB 4.07Å; F82-K84 HydrophobicContact CE1-CB 3.75Å; F82-K84 HydrophobicContact CE1-CG 3.78Å; F82-K84 HydrophobicContact CZ-CB 4.35Å; F82-K84 HydrophobicContact CZ-CG 4.36Å; F82-K84 PolarHBondContact O-N 3.45Å; K84-S90 WeakPolarHBondContact CE-OG 3.31Å; K84-S90 WeakPolarHBondContact CG-OG 3.39Å; K84-L94 HydrophobicContact CD-CD1 3.92Å; K84-C141 WeakPolarHBondContact CB-O 3.2Å; K84-H143 WeakPolarHBondContact CE-NE2 3.41Å; K84-H143 PolarHBondContact NZ-CD2 3.37Å; K84-H143 PolarHBondContact NZ-NE2 3.47Å; K84-H143 PolarHBondContact O-ND1 3.39Å; K84-E399 IonicContact NZ-OE1 3.18Å; K84-E399 PolarHBondContact NZ-OE1 2.87Å; K84-E399 IonicContact NZ-OE2 3.44Å; K84-E399 PolarHBondContact NZ-OE2 3.05Å
85T97.1Very high95.4Very high0 Ų020.8 Ų20.80%012%0.124CC..  trans-82.6154.7171.254.90000111.6M83 T88 S90 I164 L165 L220 D223 F224M83-T85 PolarHBondContact O-N 2.79Å; T85-T88 PolarHBondContact O-OG1 3.21Å; T85-T88 WeakPolarHBondContact OG1-CB 3.2Å; T85-T88 WeakPolarHBondContact OG1-CG2 3.44Å; T85-T88 PolarHBondContact OG1-OG1 3.28Å; T85-S90 PolarHBondContact O-OG 3.04Å; T85-I164 PolarHBondContact OG1-O 2.87Å; T85-L165 HydrophobicContact CG2-CD2 4.47Å; T85-L220 HydrophobicContact CG2-CD2 4Å; T85-D223 VanDerWaalsContact CA-OD2 3.28Å; T85-D223 WeakPolarHBondContact CA-OD2 3.29Å; T85-D223 HydrophobicContact CG2-CB 4.27Å; T85-F224 HydrophobicContact CG2-CE2 4.28Å; T85-F224 HydrophobicContact CG2-CZ 4.22Å
86H96.1Very high95.9Very high13 Ų1316.2 Ų16.26%0.069%0.092CC..THydrogen-bonded Turntrans-73.2141.5180-72.493.4000112.1T88 Y119 H143 L171 F179 L219 D223H86-T88 WeakPolarHBondContact O-CG2 3.41Å; H86-T88 PolarHBondContact O-N 2.95Å; H86-T88 VanDerWaalsContact O-N 3.07Å; H86-Y119 AromaticContact CE1-CE1 3.84Å; H86-Y119 AromaticContact CE1-CE2 3.7Å; H86-Y119 AromaticContact CE1-CZ 3.5Å; H86-Y119 VanDerWaalsContact CE1-CZ 3.5Å; H86-Y119 AromaticContact ND1-CZ 3.99Å; H86-H143 AromaticContact CD2-CE1 3.55Å; H86-H143 AromaticContact CD2-ND1 3.82Å; H86-H143 AromaticContact CD2-NE2 3.96Å; H86-H143 AromaticContact CE1-ND1 3.71Å; H86-H143 AromaticContact CG-CE1 3.93Å; H86-H143 AromaticContact NE2-CE1 3.73Å; H86-H143 AromaticContact NE2-CG 3.76Å; H86-H143 AromaticContact NE2-ND1 3.53Å; H86-L171 WeakPolarHBondContact O-CD1 3.31Å; H86-F179 AromaticContact CD2-CZ 3.81Å; H86-L219 HydrophobicContact CB-CD2 3.8Å; H86-L219 HydrophobicContact CB-CG 4.27Å; H86-D223 IonicContact CE1-OD1 3.82Å; H86-D223 PolarHBondContact CE1-OD1 2.79Å; H86-D223 IonicContact CG-OD2 3.4Å; H86-D223 PolarHBondContact N-OD2 3.15Å; H86-D223 VanDerWaalsContact ND1-CG 3.32Å; H86-D223 IonicContact ND1-OD1 3.97Å; H86-D223 PolarHBondContact ND1-OD1 2.82Å; H86-D223 IonicContact ND1-OD2 3.36Å; H86-D223 PolarHBondContact ND1-OD2 2.86Å
87K93.9Very high96.1Very high46 Ų4613 Ų1320%0.27%0.071CC..THydrogen-bonded Turntrans58.723169.9-47.4-51.9-62.3-176.30116R166 L171 S174 Y178 F179K87-R166 VanDerWaalsContact O-CD 3.29Å; K87-R166 WeakPolarHBondContact O-CD 3.28Å; K87-R166 PolarHBondContact O-NH1 3.19Å; K87-L171 HydrophobicContact CB-CD1 3.74Å; K87-S174 WeakPolarHBondContact CE-OG 3.28Å; K87-Y178 HydrophobicContact CD-CD1 4.21Å; K87-Y178 HydrophobicContact CD-CG 4.19Å; K87-F179 HydrophobicContact CD-CE2 3.98Å; K87-F179 HydrophobicContact CD-CZ 4.44Å; K87-F179 HydrophobicContact CG-CE2 4.01Å
88T94.5Very high96.2Very high0 Ų09 Ų90%05%0.054CC..SBendtrans-106.637179.953.20000113.2T85 H86 S90 I164 R166 L171 L220 V254T85-T88 PolarHBondContact O-OG1 3.21Å; T85-T88 WeakPolarHBondContact OG1-CB 3.2Å; T85-T88 WeakPolarHBondContact OG1-CG2 3.44Å; T85-T88 PolarHBondContact OG1-OG1 3.28Å; H86-T88 WeakPolarHBondContact O-CG2 3.41Å; H86-T88 PolarHBondContact O-N 2.95Å; H86-T88 VanDerWaalsContact O-N 3.07Å; T88-S90 PolarHBondContact O-N 2.78Å; T88-I164 WeakPolarHBondContact O-CD1 3.46Å; T88-I164 WeakPolarHBondContact OG1-CG2 3.17Å; T88-R166 HydrophobicContact CG2-CB 3.76Å; T88-L171 HydrophobicContact CG2-CD1 4.03Å; T88-L220 HydrophobicContact CG2-CD2 3.83Å; T88-V254 WeakPolarHBondContact O-CG2 3.49Å
89A89.3Confident96.3Very high37 Ų378.2 Ų8.231%0.3065%0.046SC..SBendtrans55.417.3-174.200000114.8S91 T92 V254A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.48Å; A89-T92 WeakPolarHBondContact O-CB 3.49Å; A89-T92 PolarHBondContact O-N 3.07Å; A89-V254 HydrophobicContact CB-CG1 4.28Å; A89-V254 HydrophobicContact CB-CG2 4.17Å
90S90.6Very high96.4Very high5 Ų57.5 Ų7.54%0.0354%0.042CC..Hα-helixtrans-67.7-20.3-168.758.80000114.7K84 T85 T88 T92 F93 L94K84-S90 WeakPolarHBondContact CE-OG 3.31Å; K84-S90 WeakPolarHBondContact CG-OG 3.39Å; T85-S90 PolarHBondContact O-OG 3.04Å; T88-S90 PolarHBondContact O-N 2.78Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.42Å; S90-F93 PolarHBondContact O-N 2.89Å; S90-L94 WeakPolarHBondContact O-CB 3.34Å; S90-L94 PolarHBondContact O-N 3.29Å
91S92.8Very high96.4Very high17 Ų177.5 Ų7.512%0.1194%0.042CC..Hα-helixtrans-64.9-31.8169.7-59.50000113.2A89 N95 N281 E399A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.48Å; S91-N95 PolarHBondContact O-N 3.42Å; S91-N95 VanDerWaalsContact O-N 3.15Å; S91-N281 WeakPolarHBondContact CB-ND2 3.37Å; S91-N281 PolarHBondContact OG-ND2 2.8Å; S91-N281 VanDerWaalsContact OG-ND2 3.07Å; S91-E399 WeakPolarHBondContact CB-OE2 3.3Å; S91-E399 PolarHBondContact OG-OE2 3.37Å
92T96.1Very high96.3Very high4 Ų410.4 Ų10.43%0.0256%0.056CC..Hα-helixtrans-67.4-45.9175.3-62.70000110.1A89 S90 N95 I96 F257 F277 F278 L280A89-T92 WeakPolarHBondContact O-CB 3.49Å; A89-T92 PolarHBondContact O-N 3.07Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 3.42Å; T92-N95 WeakPolarHBondContact O-CB 3.5Å; T92-N95 PolarHBondContact O-N 3.26Å; T92-I96 PolarHBondContact O-N 3.02Å; T92-F257 HydrophobicContact CG2-CE1 3.96Å; T92-F257 HydrophobicContact CG2-CZ 3.83Å; T92-F277 HydrophobicContact CG2-CB 3.94Å; T92-F277 HydrophobicContact CG2-CD2 3.52Å; T92-F277 HydrophobicContact CG2-CE2 4.36Å; T92-F277 HydrophobicContact CG2-CG 4Å; T92-F278 WeakPolarHBondContact CG2-O 3.07Å; T92-L280 PolarHBondContact OG1-N 3.19Å
93F97.6Very high96.2Very high0 Ų015.8 Ų15.80%08%0.079CC..Hα-helixtrans-68.2-37.8178-173.8-120.1000112.6F82 S90 N95 I96 L97 I162 M252 F257 L261 L264F82-F93 HydrophobicContact CB-CE1 4.32Å; F82-F93 AromaticContact CD1-CD1 3.87Å; F82-F93 HydrophobicContact CD1-CD1 3.87Å; F82-F93 HydrophobicContact CD1-CE1 4.22Å; F82-F93 AromaticContact CD2-CD1 3.64Å; F82-F93 HydrophobicContact CD2-CD1 3.64Å; F82-F93 AromaticContact CD2-CE1 3.54Å; F82-F93 HydrophobicContact CD2-CE1 3.54Å; F82-F93 AromaticContact CE1-CD1 3.71Å; F82-F93 HydrophobicContact CE1-CD1 3.71Å; F82-F93 HydrophobicContact CE1-CE1 4.46Å; F82-F93 AromaticContact CE2-CD1 3.49Å; F82-F93 HydrophobicContact CE2-CD1 3.49Å; F82-F93 VanDerWaalsContact CE2-CD1 3.49Å; F82-F93 AromaticContact CE2-CE1 3.84Å; F82-F93 HydrophobicContact CE2-CE1 3.84Å; F82-F93 AromaticContact CG-CD1 3.84Å; F82-F93 HydrophobicContact CG-CD1 3.84Å; F82-F93 AromaticContact CG-CE1 3.76Å; F82-F93 HydrophobicContact CG-CE1 3.76Å; F82-F93 HydrophobicContact CZ-CB 4.49Å; F82-F93 AromaticContact CZ-CD1 3.53Å; F82-F93 HydrophobicContact CZ-CD1 3.53Å; F82-F93 HydrophobicContact CZ-CE1 4.31Å; F82-F93 HydrophobicContact CZ-CG 4.46Å; S90-F93 PolarHBondContact O-N 2.89Å; F93-N95 VanDerWaalsContact C-N 3.27Å; F93-N95 PolarHBondContact O-N 3.11Å; F93-I96 HydrophobicContact CD2-CB 4.33Å; F93-I96 HydrophobicContact CD2-CD1 4.08Å; F93-I96 HydrophobicContact CE2-CG2 4.34Å; F93-I96 WeakPolarHBondContact O-CA 3.44Å; F93-I96 VanDerWaalsContact O-CB 3.28Å; F93-I96 WeakPolarHBondContact O-CB 3.43Å; F93-I96 PolarHBondContact O-N 2.66Å; F93-L97 HydrophobicContact CD1-CD1 4.04Å; F93-L97 HydrophobicContact CD1-CG 4.28Å; F93-L97 HydrophobicContact CE1-CD1 3.72Å; F93-L97 HydrophobicContact CE1-CD2 4.03Å; F93-L97 HydrophobicContact CE1-CG 3.91Å; F93-L97 HydrophobicContact CE2-CD2 4.34Å; F93-L97 HydrophobicContact CE2-CG 4.46Å; F93-L97 HydrophobicContact CZ-CD1 4.28Å; F93-L97 HydrophobicContact CZ-CD2 3.73Å; F93-L97 HydrophobicContact CZ-CG 4Å; F93-L97 PolarHBondContact O-N 3.18Å; F93-I162 HydrophobicContact CE1-CG2 4.42Å; F93-M252 HydrophobicContact CD1-CE 3.74Å; F93-M252 HydrophobicContact CD2-CE 4.09Å; F93-M252 HydrophobicContact CE1-CE 3.74Å; F93-M252 HydrophobicContact CE2-CE 4.18Å; F93-M252 HydrophobicContact CG-CE 3.9Å; F93-M252 HydrophobicContact CZ-CE 3.98Å; F93-F257 HydrophobicContact CB-CZ 4.49Å; F93-L261 HydrophobicContact CD2-CD2 3.9Å; F93-L261 HydrophobicContact CE2-CD2 4.11Å; F93-L264 HydrophobicContact CD2-CD2 4.37Å; F93-L264 HydrophobicContact CE2-CD2 3.23Å; F93-L264 HydrophobicContact CZ-CD1 4.08Å; F93-L264 HydrophobicContact CZ-CD2 3.56Å; F93-L264 HydrophobicContact CZ-CG 4.49Å
94L96.9Very high96.1Very high1 Ų119 Ų191%0.0059%0.094CC..Hα-helixtrans-61.1-35.5175177.8152.5000112.1K84 S90 I96 L97 F98 C141 E399K84-L94 HydrophobicContact CD-CD1 3.92Å; S90-L94 WeakPolarHBondContact O-CB 3.34Å; S90-L94 PolarHBondContact O-N 3.29Å; L94-I96 VanDerWaalsContact C-N 3.35Å; L94-I96 PolarHBondContact O-N 2.88Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-F98 HydrophobicContact CD1-CE1 4.48Å; L94-F98 HydrophobicContact CD1-CZ 4.13Å; L94-F98 HydrophobicContact CD2-CD1 4.31Å; L94-F98 HydrophobicContact CD2-CD2 3.65Å; L94-F98 HydrophobicContact CD2-CE1 3.85Å; L94-F98 HydrophobicContact CD2-CE2 3.13Å; L94-F98 HydrophobicContact CD2-CG 4.22Å; L94-F98 HydrophobicContact CD2-CZ 3.22Å; L94-F98 HydrophobicContact CG-CD1 4.39Å; L94-F98 HydrophobicContact CG-CE1 3.86Å; L94-F98 HydrophobicContact CG-CE2 4.07Å; L94-F98 HydrophobicContact CG-CZ 3.67Å; L94-F98 WeakPolarHBondContact O-CD1 3.49Å; L94-F98 VanDerWaalsContact O-CG 3.31Å; L94-F98 WeakPolarHBondContact O-CG 3.39Å; L94-F98 PolarHBondContact O-N 3.44Å; L94-C141 WeakPolarHBondContact CD1-O 3.24Å; L94-E399 HydrophobicContact CD1-CG 4.35Å; L94-E399 HydrophobicContact CD2-CB 4.27Å; L94-E399 HydrophobicContact CD2-CG 3.75Å
95N97.9Very high96Very high5 Ų527.5 Ų27.53%0.02713%0.133CC..Hα-helixtrans-63.8-37.2171.9-174.9-77.1000112.9S91 T92 F93 R99 L280 K394 M397S91-N95 PolarHBondContact O-N 3.42Å; S91-N95 VanDerWaalsContact O-N 3.15Å; T92-N95 WeakPolarHBondContact O-CB 3.5Å; T92-N95 PolarHBondContact O-N 3.26Å; F93-N95 VanDerWaalsContact C-N 3.27Å; F93-N95 PolarHBondContact O-N 3.11Å; N95-R99 WeakPolarHBondContact O-CG 3.32Å; N95-R99 PolarHBondContact O-N 3.49Å; N95-R99 VanDerWaalsContact O-N 3.16Å; N95-R99 PolarHBondContact O-NE 2.88Å; N95-R99 PolarHBondContact OD1-NE 2.95Å; N95-R99 PolarHBondContact OD1-NH2 3.21Å; N95-L280 HydrophobicContact CB-CD1 3.77Å; N95-K394 PolarHBondContact ND2-O 2.94Å; N95-M397 PolarHBondContact ND2-O 3.24Å
96I98.4Very high95.9Very high0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-60.1-51.2171-68.4166.6000109.9T92 F93 L94 F98 R99 F100 L261 W270 D274 L275 F277T92-I96 PolarHBondContact O-N 3.02Å; F93-I96 HydrophobicContact CD2-CB 4.33Å; F93-I96 HydrophobicContact CD2-CD1 4.08Å; F93-I96 HydrophobicContact CE2-CG2 4.34Å; F93-I96 WeakPolarHBondContact O-CA 3.44Å; F93-I96 VanDerWaalsContact O-CB 3.28Å; F93-I96 WeakPolarHBondContact O-CB 3.43Å; F93-I96 PolarHBondContact O-N 2.66Å; L94-I96 VanDerWaalsContact C-N 3.35Å; L94-I96 PolarHBondContact O-N 2.88Å; I96-F98 VanDerWaalsContact C-N 3.34Å; I96-F98 PolarHBondContact O-N 3.09Å; I96-R99 VanDerWaalsContact CG1-NH2 3.32Å; I96-R99 PolarHBondContact O-N 3.08Å; I96-F100 WeakPolarHBondContact O-CB 3.42Å; I96-F100 PolarHBondContact O-N 3.01Å; I96-L261 HydrophobicContact CD1-CD1 3.99Å; I96-L261 HydrophobicContact CD1-CD2 3.88Å; I96-W270 HydrophobicContact CG2-CZ3 3.94Å; I96-D274 WeakPolarHBondContact CG2-O 3.46Å; I96-L275 HydrophobicContact CG2-CD2 4.4Å; I96-F277 HydrophobicContact CD1-CB 3.94Å; I96-F277 HydrophobicContact CG1-CB 4.14Å
97L98.4Very high95.8Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-60.5-40.1-179.9-65.9179.4000112.9I80 F82 F93 L94 F100 G101 C141 W270I80-L97 HydrophobicContact CD1-CD2 4.3Å; I80-L97 HydrophobicContact CG2-CD2 4.25Å; F82-L97 HydrophobicContact CB-CD1 3.54Å; F82-L97 HydrophobicContact CD1-CD1 3.75Å; F82-L97 HydrophobicContact CG-CD1 3.81Å; F93-L97 HydrophobicContact CD1-CD1 4.04Å; F93-L97 HydrophobicContact CD1-CG 4.28Å; F93-L97 HydrophobicContact CE1-CD1 3.72Å; F93-L97 HydrophobicContact CE1-CD2 4.03Å; F93-L97 HydrophobicContact CE1-CG 3.91Å; F93-L97 HydrophobicContact CE2-CD2 4.34Å; F93-L97 HydrophobicContact CE2-CG 4.46Å; F93-L97 HydrophobicContact CZ-CD1 4.28Å; F93-L97 HydrophobicContact CZ-CD2 3.73Å; F93-L97 HydrophobicContact CZ-CG 4Å; F93-L97 PolarHBondContact O-N 3.18Å; L94-L97 PolarHBondContact O-N 3.15Å; L97-F100 PolarHBondContact O-N 3.35Å; L97-G101 PolarHBondContact O-N 3.07Å; L97-C141 HydrophobicContact CD1-CB 3.66Å; L97-W270 HydrophobicContact CD2-CH2 3.84Å
98F98.3Very high96Very high0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-63.2-46.5177.4-74-3000112.4L94 I96 G101 E102 F108 F110 C141 Y402 L403 L406L94-F98 HydrophobicContact CD1-CE1 4.48Å; L94-F98 HydrophobicContact CD1-CZ 4.13Å; L94-F98 HydrophobicContact CD2-CD1 4.31Å; L94-F98 HydrophobicContact CD2-CD2 3.65Å; L94-F98 HydrophobicContact CD2-CE1 3.85Å; L94-F98 HydrophobicContact CD2-CE2 3.13Å; L94-F98 HydrophobicContact CD2-CG 4.22Å; L94-F98 HydrophobicContact CD2-CZ 3.22Å; L94-F98 HydrophobicContact CG-CD1 4.39Å; L94-F98 HydrophobicContact CG-CE1 3.86Å; L94-F98 HydrophobicContact CG-CE2 4.07Å; L94-F98 HydrophobicContact CG-CZ 3.67Å; L94-F98 WeakPolarHBondContact O-CD1 3.49Å; L94-F98 VanDerWaalsContact O-CG 3.31Å; L94-F98 WeakPolarHBondContact O-CG 3.39Å; L94-F98 PolarHBondContact O-N 3.44Å; I96-F98 VanDerWaalsContact C-N 3.34Å; I96-F98 PolarHBondContact O-N 3.09Å; F98-G101 PolarHBondContact O-N 3.39Å; F98-E102 PolarHBondContact O-N 3.18Å; F98-F108 HydrophobicContact CD1-CD1 4.47Å; F98-F108 AromaticContact CD1-CE1 3.77Å; F98-F108 HydrophobicContact CD1-CE1 3.77Å; F98-F108 HydrophobicContact CD1-CZ 4.15Å; F98-F108 HydrophobicContact CE1-CE1 4.22Å; F98-F110 AromaticContact CE1-CE1 3.76Å; F98-F110 HydrophobicContact CE1-CE1 3.76Å; F98-F110 HydrophobicContact CE1-CZ 4.07Å; F98-F110 HydrophobicContact CZ-CE1 4.13Å; F98-C141 VanDerWaalsContact CE1-SG 3.59Å; F98-Y402 HydrophobicContact CB-CD1 4.11Å; F98-Y402 HydrophobicContact CB-CD2 4.37Å; F98-Y402 HydrophobicContact CB-CE1 3.71Å; F98-Y402 HydrophobicContact CB-CE2 3.97Å; F98-Y402 HydrophobicContact CB-CG 4.42Å; F98-Y402 AromaticContact CD2-CD1 3.67Å; F98-Y402 HydrophobicContact CD2-CD1 3.67Å; F98-Y402 AromaticContact CD2-CD2 3.89Å; F98-Y402 HydrophobicContact CD2-CD2 3.89Å; F98-Y402 HydrophobicContact CD2-CE1 4.16Å; F98-Y402 HydrophobicContact CD2-CE2 4.35Å; F98-Y402 AromaticContact CD2-CG 3.51Å; F98-Y402 HydrophobicContact CD2-CG 3.51Å; F98-Y402 HydrophobicContact CE2-CG 4.22Å; F98-Y402 HydrophobicContact CG-CD1 4.42Å; F98-Y402 HydrophobicContact CG-CE1 4.49Å; F98-Y402 HydrophobicContact CG-CG 4.44Å; F98-L403 HydrophobicContact CE1-CD2 4.45Å; F98-L403 HydrophobicContact CE2-CD2 4.08Å; F98-L403 HydrophobicContact CE2-CG 3.99Å; F98-L403 HydrophobicContact CZ-CD2 3.5Å; F98-L403 HydrophobicContact CZ-CG 3.88Å; F98-L406 HydrophobicContact CB-CD1 3.98Å; F98-L406 HydrophobicContact CD1-CD1 3.79Å; F98-L406 HydrophobicContact CD2-CD1 3.71Å; F98-L406 HydrophobicContact CE1-CD1 4.14Å; F98-L406 HydrophobicContact CE2-CD1 4.04Å; F98-L406 HydrophobicContact CG-CD1 3.56Å; F98-L406 HydrophobicContact CZ-CD1 4.26Å
99R98Very high96.1Very high26 Ų2630.6 Ų30.610%0.09815%0.149CC..Hα-helixtrans-64-42.3176.5-74-179.6-68145.82.3111.6N95 I96 E102 K103 L276 K394 Y402N95-R99 WeakPolarHBondContact O-CG 3.32Å; N95-R99 PolarHBondContact O-N 3.49Å; N95-R99 VanDerWaalsContact O-N 3.16Å; N95-R99 PolarHBondContact O-NE 2.88Å; N95-R99 PolarHBondContact OD1-NE 2.95Å; N95-R99 PolarHBondContact OD1-NH2 3.21Å; I96-R99 VanDerWaalsContact CG1-NH2 3.32Å; I96-R99 PolarHBondContact O-N 3.08Å; R99-E102 PolarHBondContact O-N 2.71Å; R99-K103 VanDerWaalsContact O-CB 3.31Å; R99-K103 WeakPolarHBondContact O-CB 3.46Å; R99-K103 PolarHBondContact O-N 3.01Å; R99-L276 PolarHBondContact NH1-O 2.89Å; R99-L276 PolarHBondContact NH2-O 3.44Å; R99-K394 HydrophobicContact CG-CB 4.14Å; R99-Y402 HydrophobicContact CG-CE1 4.18Å; R99-Y402 VanDerWaalsContact CG-OH 3.22Å; R99-Y402 WeakPolarHBondContact CG-OH 3.5Å
100F97.9Very high96.5Very high2 Ų229.7 Ų29.71%0.00914%0.138CC..Hα-helixtrans-61.1-47.6176.1-175.2-91.7000111.5V78 I96 L97 E102 K103 H104 L106 W270 D274V78-F100 HydrophobicContact CG1-CE1 4.21Å; V78-F100 HydrophobicContact CG1-CZ 4.31Å; I96-F100 WeakPolarHBondContact O-CB 3.42Å; I96-F100 PolarHBondContact O-N 3.01Å; L97-F100 PolarHBondContact O-N 3.35Å; F100-E102 PolarHBondContact O-N 3.38Å; F100-K103 WeakPolarHBondContact O-CB 3.49Å; F100-K103 PolarHBondContact O-N 3.23Å; F100-H104 AromaticContact CD2-CD2 3.74Å; F100-H104 AromaticContact CE1-CD2 3.82Å; F100-H104 AromaticContact CE2-CD2 3.44Å; F100-H104 VanDerWaalsContact CE2-CD2 3.44Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.13Å; F100-H104 AromaticContact CE2-NE2 3.43Å; F100-H104 WeakPolarHBondContact CE2-NE2 3.39Å; F100-H104 AromaticContact CZ-CD2 3.48Å; F100-H104 VanDerWaalsContact CZ-CD2 3.48Å; F100-H104 WeakPolarHBondContact CZ-CD2 3.48Å; F100-H104 AromaticContact CZ-NE2 3.72Å; F100-H104 PolarHBondContact O-CD2 3.39Å; F100-H104 VanDerWaalsContact O-CD2 3.32Å; F100-H104 PolarHBondContact O-N 2.99Å; F100-L106 HydrophobicContact CD1-CD1 3.9Å; F100-L106 HydrophobicContact CE1-CD1 3.75Å; F100-W270 HydrophobicContact CB-CH2 3.8Å; F100-W270 HydrophobicContact CB-CZ2 4.27Å; F100-W270 HydrophobicContact CB-CZ3 4.26Å; F100-W270 AromaticContact CD1-CH2 3.68Å; F100-W270 HydrophobicContact CD1-CH2 3.68Å; F100-W270 AromaticContact CD1-CZ2 3.28Å; F100-W270 HydrophobicContact CD1-CZ2 3.28Å; F100-W270 AromaticContact CD2-CD2 3.96Å; F100-W270 HydrophobicContact CD2-CD2 3.96Å; F100-W270 AromaticContact CD2-CE2 3.71Å; F100-W270 HydrophobicContact CD2-CE3 4.1Å; F100-W270 AromaticContact CD2-CH2 3.75Å; F100-W270 HydrophobicContact CD2-CH2 3.75Å; F100-W270 AromaticContact CD2-CZ2 3.56Å; F100-W270 HydrophobicContact CD2-CZ2 3.56Å; F100-W270 HydrophobicContact CD2-CZ3 4.03Å; F100-W270 AromaticContact CE1-CE2 3.75Å; F100-W270 HydrophobicContact CE1-CH2 4.18Å; F100-W270 AromaticContact CE1-CZ2 3.31Å; F100-W270 HydrophobicContact CE1-CZ2 3.31Å; F100-W270 AromaticContact CE1-NE1 3.89Å; F100-W270 AromaticContact CE2-CD1 3.89Å; F100-W270 AromaticContact CE2-CD2 3.75Å; F100-W270 HydrophobicContact CE2-CD2 3.75Å; F100-W270 AromaticContact CE2-CE2 3.34Å; F100-W270 HydrophobicContact CE2-CE3 4.36Å; F100-W270 HydrophobicContact CE2-CG 4.06Å; F100-W270 HydrophobicContact CE2-CH2 4.24Å; F100-W270 AromaticContact CE2-CZ2 3.59Å; F100-W270 HydrophobicContact CE2-CZ2 3.59Å; F100-W270 AromaticContact CE2-NE1 3.48Å; F100-W270 AromaticContact CG-CH2 3.43Å; F100-W270 HydrophobicContact CG-CH2 3.43Å; F100-W270 VanDerWaalsContact CG-CH2 3.43Å; F100-W270 AromaticContact CG-CZ2 3.41Å; F100-W270 HydrophobicContact CG-CZ2 3.41Å; F100-W270 VanDerWaalsContact CG-CZ2 3.41Å; F100-W270 HydrophobicContact CG-CZ3 4.07Å; F100-W270 AromaticContact CZ-CD1 3.98Å; F100-W270 HydrophobicContact CZ-CD2 4.23Å; F100-W270 AromaticContact CZ-CE2 3.37Å; F100-W270 HydrophobicContact CZ-CH2 4.44Å; F100-W270 AromaticContact CZ-CZ2 3.47Å; F100-W270 HydrophobicContact CZ-CZ2 3.47Å; F100-W270 VanDerWaalsContact CZ-CZ2 3.47Å; F100-W270 AromaticContact CZ-NE1 3.23Å; F100-D274 HydrophobicContact CD2-CB 4.15Å
101G97.4Very high96.7Very high0 Ų029.4 Ų29.40%014%0.137CC..Hα-helixtrans-64.8-38.3178.100000113.7L97 F98 H104 H105 L106L97-G101 PolarHBondContact O-N 3.07Å; F98-G101 PolarHBondContact O-N 3.39Å; G101-H104 CarbonylContact O-C 3.51Å; G101-H104 PolarHBondContact O-N 3.4Å; G101-H105 WeakPolarHBondContact O-CA 3.38Å; G101-H105 PolarHBondContact O-N 2.91Å; G101-L106 PolarHBondContact O-N 3.43Å
102E96.8Very high96.4Very high62 Ų6231.9 Ų31.929%0.2915%0.148SC..Hα-helixtrans-63.6-44.3171.7-79.1-172.4117.900111.9F98 R99 F100 H104 H105 K394 Y402 L406F98-E102 PolarHBondContact O-N 3.18Å; R99-E102 PolarHBondContact O-N 2.71Å; F100-E102 PolarHBondContact O-N 3.38Å; E102-H104 VanDerWaalsContact C-N 3.25Å; E102-H104 PolarHBondContact O-N 3.45Å; E102-H105 PolarHBondContact O-N 3.49Å; E102-K394 WeakPolarHBondContact OE1-CE 3.33Å; E102-K394 IonicContact OE1-NZ 2.74Å; E102-K394 PolarHBondContact OE1-NZ 3.34Å; E102-K394 WeakPolarHBondContact OE2-CE 3.48Å; E102-K394 IonicContact OE2-NZ 2.68Å; E102-K394 PolarHBondContact OE2-NZ 3.01Å; E102-Y402 VanDerWaalsContact OE2-CE2 3.24Å; E102-Y402 WeakPolarHBondContact OE2-CE2 3.33Å; E102-Y402 VanDerWaalsContact OE2-CZ 3.29Å; E102-Y402 PolarHBondContact OE2-OH 3.03Å; E102-L406 HydrophobicContact CG-CD2 3.64Å
103K95.9Very high95.9Very high113 Ų11332.2 Ų32.249%0.49115%0.151SC..Hα-helixtrans-58.5-38.1178.5177.3-171.9174.5-166.60111.8R99 F100 D274R99-K103 VanDerWaalsContact O-CB 3.31Å; R99-K103 WeakPolarHBondContact O-CB 3.46Å; R99-K103 PolarHBondContact O-N 3.01Å; F100-K103 WeakPolarHBondContact O-CB 3.49Å; F100-K103 PolarHBondContact O-N 3.23Å; K103-D274 WeakPolarHBondContact CD-OD1 3.34Å; K103-D274 IonicContact NZ-OD1 3.21Å; K103-D274 PolarHBondContact NZ-OD1 2.91Å; K103-D274 IonicContact NZ-OD2 3.04Å; K103-D274 PolarHBondContact NZ-OD2 2.92Å
104H95.6Very high95.6Very high67 Ų6733.8 Ų33.831%0.3116%0.157SC..THydrogen-bonded Turntrans-102.47.4-175.9-70.8-81.6000114.1F100 G101 E102 L106F100-H104 AromaticContact CD2-CD2 3.74Å; F100-H104 AromaticContact CE1-CD2 3.82Å; F100-H104 AromaticContact CE2-CD2 3.44Å; F100-H104 VanDerWaalsContact CE2-CD2 3.44Å; F100-H104 WeakPolarHBondContact CE2-CD2 3.13Å; F100-H104 AromaticContact CE2-NE2 3.43Å; F100-H104 WeakPolarHBondContact CE2-NE2 3.39Å; F100-H104 AromaticContact CZ-CD2 3.48Å; F100-H104 VanDerWaalsContact CZ-CD2 3.48Å; F100-H104 WeakPolarHBondContact CZ-CD2 3.48Å; F100-H104 AromaticContact CZ-NE2 3.72Å; F100-H104 PolarHBondContact O-CD2 3.39Å; F100-H104 VanDerWaalsContact O-CD2 3.32Å; F100-H104 PolarHBondContact O-N 2.99Å; G101-H104 CarbonylContact O-C 3.51Å; G101-H104 PolarHBondContact O-N 3.4Å; E102-H104 VanDerWaalsContact C-N 3.25Å; E102-H104 PolarHBondContact O-N 3.45Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 HydrophobicContact CB-CD1 4Å; H104-L106 HydrophobicContact CB-CD2 3.97Å; H104-L106 HydrophobicContact CB-CG 3.69Å; H104-L106 PolarHBondContact O-N 3.41Å
105H95.5Very high95.3Very high179 Ų17935.4 Ų35.483%0.82917%0.166SC*.THydrogen-bonded Turntrans5342.1-178.4-55.8-66000113.8G101 E102G101-H105 WeakPolarHBondContact O-CA 3.38Å; G101-H105 PolarHBondContact O-N 2.91Å; E102-H105 PolarHBondContact O-N 3.49Å
106L95.7Very high95.1Very high23 Ų2336 Ų3612%0.1217%0.169CC..PPolyproline II helixtrans-83.2147.6-174.6-58.5-178.4000112.4V78 F100 G101 H104 N138 I139V78-L106 HydrophobicContact CB-CD1 3.84Å; V78-L106 HydrophobicContact CB-CD2 3.82Å; V78-L106 HydrophobicContact CG1-CD1 4.31Å; V78-L106 HydrophobicContact CG1-CD2 4.25Å; V78-L106 HydrophobicContact CG2-CD2 4.3Å; F100-L106 HydrophobicContact CD1-CD1 3.9Å; F100-L106 HydrophobicContact CE1-CD1 3.75Å; G101-L106 PolarHBondContact O-N 3.43Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 HydrophobicContact CB-CD1 4Å; H104-L106 HydrophobicContact CB-CD2 3.97Å; H104-L106 HydrophobicContact CB-CG 3.69Å; H104-L106 PolarHBondContact O-N 3.41Å; L106-N138 HydrophobicContact CB-CB 3.91Å; L106-N138 HydrophobicContact CD1-CB 4.49Å; L106-N138 HydrophobicContact CD2-CB 4.27Å; L106-N138 HydrophobicContact CG-CB 4.44Å; L106-I139 HydrophobicContact CB-CD1 4.33Å; L106-I139 HydrophobicContact CD1-CD1 3.73Å; L106-I139 HydrophobicContact CD1-CG1 4.26Å
107Q95.3Very high95Very high78 Ų7836 Ų3636%0.36417%0.169SC..PPolyproline II helixtrans-85.5118.7177-169.5176.6-16.800110.6C136 F137 N138 I139Q107-C136 VanDerWaalsContact CD-O 3.31Å; Q107-C136 PolarHBondContact NE2-O 3.1Å; Q107-C136 PolarHBondContact OE1-O 3.17Å; Q107-F137 HydrophobicContact CG-CD1 3.8Å; Q107-F137 HydrophobicContact CG-CE1 4.26Å; Q107-N138 PolarHBondContact N-OD1 3.02Å; Q107-N138 PolarHBondContact O-N 3.48Å; Q107-I139 PolarHBondContact O-N 3.25Å; Q107-I139 VanDerWaalsContact O-N 3.14Å
108F97.1Very high94.8Very high24 Ų2439.4 Ų39.411%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-92.1137.1175.9-70.7-94.8000111.5F98 F110 F137 I139F98-F108 HydrophobicContact CD1-CD1 4.47Å; F98-F108 AromaticContact CD1-CE1 3.77Å; F98-F108 HydrophobicContact CD1-CE1 3.77Å; F98-F108 HydrophobicContact CD1-CZ 4.15Å; F98-F108 HydrophobicContact CE1-CE1 4.22Å; F108-F110 HydrophobicContact CB-CD1 3.99Å; F108-F110 HydrophobicContact CB-CD2 3.68Å; F108-F110 HydrophobicContact CB-CE1 3.62Å; F108-F110 HydrophobicContact CB-CE2 3.28Å; F108-F110 HydrophobicContact CB-CG 4.02Å; F108-F110 HydrophobicContact CB-CZ 3.24Å; F108-F110 AromaticContact CD1-CE1 3.71Å; F108-F110 HydrophobicContact CD1-CE1 3.71Å; F108-F110 HydrophobicContact CD1-CE2 4.39Å; F108-F110 AromaticContact CD1-CZ 3.52Å; F108-F110 HydrophobicContact CD1-CZ 3.52Å; F108-F110 HydrophobicContact CD2-CE2 4.05Å; F108-F110 AromaticContact CD2-CZ 3.83Å; F108-F110 HydrophobicContact CD2-CZ 3.83Å; F108-F110 HydrophobicContact CE1-CZ 4.27Å; F108-F110 AromaticContact CG-CE1 3.81Å; F108-F110 HydrophobicContact CG-CE1 3.81Å; F108-F110 AromaticContact CG-CE2 3.69Å; F108-F110 HydrophobicContact CG-CE2 3.69Å; F108-F110 AromaticContact CG-CZ 3.25Å; F108-F110 HydrophobicContact CG-CZ 3.25Å; F108-F110 PolarHBondContact O-N 3.4Å; F108-F137 VanDerWaalsContact C-CD1 3.45Å; F108-F137 VanDerWaalsContact O-CD1 3.31Å; F108-F137 WeakPolarHBondContact O-CD1 3.24Å; F108-I139 CarbonylContact C-O 3.39Å; F108-I139 WeakPolarHBondContact CA-O 3.37Å; F108-I139 HydrophobicContact CD1-CB 3.64Å; F108-I139 HydrophobicContact CD1-CD1 4.5Å; F108-I139 HydrophobicContact CD1-CG2 3.69Å; F108-I139 HydrophobicContact CE1-CB 3.76Å; F108-I139 HydrophobicContact CE1-CD1 3.8Å; F108-I139 HydrophobicContact CE1-CG1 4.35Å; F108-I139 HydrophobicContact CE1-CG2 3.61Å; F108-I139 HydrophobicContact CG-CB 4.37Å; F108-I139 HydrophobicContact CZ-CD1 3.9Å
109A96.8Very high94.7Very high0 Ų039.6 Ų39.60%018%0.184CC..EExtended strand (participates in β ladder)trans-83.5104.5162.200000107.4F117 V128 F137 I139 I140A109-F117 WeakPolarHBondContact O-CZ 3.47Å; A109-V128 HydrophobicContact CB-CG1 3.83Å; A109-V128 HydrophobicContact CB-CG2 4.03Å; A109-F137 VanDerWaalsContact CA-CD1 3.43Å; A109-F137 HydrophobicContact CB-CB 3.84Å; A109-F137 HydrophobicContact CB-CD1 3.63Å; A109-F137 HydrophobicContact CB-CD2 4.04Å; A109-F137 HydrophobicContact CB-CE1 4.15Å; A109-F137 HydrophobicContact CB-CG 3.56Å; A109-I139 PolarHBondContact N-O 2.87Å; A109-I140 HydrophobicContact CB-CD1 4.01Å; A109-I140 HydrophobicContact CB-CG1 3.66Å
110F97.3Very high94.6Very high17 Ų1740 Ų408%0.07519%0.19CC..  trans-105.6151.6178.1-72.2-43.8000111.8F98 F108 V128 K129 N142 L403 L406 V408F98-F110 AromaticContact CE1-CE1 3.76Å; F98-F110 HydrophobicContact CE1-CE1 3.76Å; F98-F110 HydrophobicContact CE1-CZ 4.07Å; F98-F110 HydrophobicContact CZ-CE1 4.13Å; F108-F110 HydrophobicContact CB-CD1 3.99Å; F108-F110 HydrophobicContact CB-CD2 3.68Å; F108-F110 HydrophobicContact CB-CE1 3.62Å; F108-F110 HydrophobicContact CB-CE2 3.28Å; F108-F110 HydrophobicContact CB-CG 4.02Å; F108-F110 HydrophobicContact CB-CZ 3.24Å; F108-F110 AromaticContact CD1-CE1 3.71Å; F108-F110 HydrophobicContact CD1-CE1 3.71Å; F108-F110 HydrophobicContact CD1-CE2 4.39Å; F108-F110 AromaticContact CD1-CZ 3.52Å; F108-F110 HydrophobicContact CD1-CZ 3.52Å; F108-F110 HydrophobicContact CD2-CE2 4.05Å; F108-F110 AromaticContact CD2-CZ 3.83Å; F108-F110 HydrophobicContact CD2-CZ 3.83Å; F108-F110 HydrophobicContact CE1-CZ 4.27Å; F108-F110 AromaticContact CG-CE1 3.81Å; F108-F110 HydrophobicContact CG-CE1 3.81Å; F108-F110 AromaticContact CG-CE2 3.69Å; F108-F110 HydrophobicContact CG-CE2 3.69Å; F108-F110 AromaticContact CG-CZ 3.25Å; F108-F110 HydrophobicContact CG-CZ 3.25Å; F108-F110 PolarHBondContact O-N 3.4Å; F110-V128 WeakPolarHBondContact O-CA 3.17Å; F110-K129 WeakPolarHBondContact O-CB 3.37Å; F110-K129 PolarHBondContact O-N 2.94Å; F110-N142 VanDerWaalsContact CD1-OD1 3.28Å; F110-N142 WeakPolarHBondContact CD1-OD1 3.33Å; F110-L403 HydrophobicContact CD1-CD2 3.98Å; F110-L403 HydrophobicContact CE1-CD2 3.88Å; F110-L406 HydrophobicContact CE2-CB 3.72Å; F110-L406 HydrophobicContact CE2-CD1 4.27Å; F110-L406 HydrophobicContact CZ-CB 4.02Å; F110-L406 HydrophobicContact CZ-CD1 3.73Å; F110-L406 HydrophobicContact CZ-CG 4.5Å; F110-V408 HydrophobicContact CB-CG2 3.6Å; F110-V408 HydrophobicContact CD1-CG2 4.02Å; F110-V408 HydrophobicContact CD2-CG2 3.5Å; F110-V408 VanDerWaalsContact CD2-CG2 3.5Å; F110-V408 HydrophobicContact CE2-CG2 4.12Å; F110-V408 HydrophobicContact CG-CG2 3.44Å; F110-V408 VanDerWaalsContact CG-CG2 3.44Å
111P95.4Very high94.5Very high0 Ų043.3 Ų43.30%021%0.214CC..BIsolated β-bridgetrans-65.4165.4168.329.2-35.2000111R114 D116 F117 N142 V408P111-R114 WeakPolarHBondContact CG-O 3.16Å; P111-D116 WeakPolarHBondContact CB-O 3.38Å; P111-F117 HydrophobicContact CB-CD1 3.75Å; P111-F117 HydrophobicContact CB-CE1 3.94Å; P111-F117 HydrophobicContact CB-CG 4.32Å; P111-F117 HydrophobicContact CG-CE1 4.5Å; P111-F117 VanDerWaalsContact N-CE1 3.31Å; P111-N142 HydrophobicContact CG-CB 4.32Å; P111-V408 HydrophobicContact CG-CG1 4.5Å; P111-V408 WeakPolarHBondContact O-CG1 3.28Å
112N87Confident94.5Very high68 Ų6847 Ų4736%0.36423%0.233SC..SBendtrans-109.6149.5167-167.120.3000109.8R114 K129N112-R114 PolarHBondContact O-N 3.38Å; N112-K129 HydrophobicContact CB-CB 4.04Å; N112-K129 HydrophobicContact CB-CG 4.2Å
113S85.3Confident94.6Very high12 Ų1244.1 Ų44.18%0.08422%0.22CC..SBendtrans65.4-28.3177.872.10000118.4N409 L410 W411 I412S113-N409 CarbonylContact C-O 3.45Å; S113-N409 WeakPolarHBondContact CA-O 3.38Å; S113-N409 PolarHBondContact N-O 2.93Å; S113-L410 CarbonylContact O-C 3.55Å; S113-W411 PolarHBondContact O-N 3.04Å; S113-I412 WeakPolarHBondContact O-CB 3.18Å; S113-I412 PolarHBondContact O-N 3.08Å; S113-I412 WeakPolarHBondContact OG-CD1 3.3Å
114R90.2Very high94.7Very high33 Ų3341.3 Ų41.313%0.12521%0.208CC..SBendtrans-125.2173.7-178.2-63.9177.662160.6-3.2111.2P111 N112 D116 Y119 L410 I412P111-R114 WeakPolarHBondContact CG-O 3.16Å; N112-R114 PolarHBondContact O-N 3.38Å; R114-D116 IonicContact CZ-OD1 3.04Å; R114-D116 VanDerWaalsContact CZ-OD1 3.28Å; R114-D116 IonicContact CZ-OD2 2.71Å; R114-D116 IonicContact NE-OD1 3.53Å; R114-D116 PolarHBondContact NE-OD1 3.43Å; R114-D116 IonicContact NE-OD2 2.65Å; R114-D116 PolarHBondContact NE-OD2 2.9Å; R114-D116 IonicContact NH2-OD1 2.75Å; R114-D116 PolarHBondContact NH2-OD1 3.32Å; R114-D116 VanDerWaalsContact NH2-OD1 3.17Å; R114-D116 IonicContact NH2-OD2 3.05Å; R114-D116 PolarHBondContact NH2-OD2 2.91Å; R114-Y119 PolarHBondContact NH2-O 2.72Å; R114-L410 VanDerWaalsContact C-CD2 3.41Å; R114-L410 WeakPolarHBondContact O-CD2 2.93Å; R114-I412 HydrophobicContact CG-CB 4.06Å; R114-I412 HydrophobicContact CG-CD1 4.08Å; R114-I412 HydrophobicContact CG-CG2 4.13Å
115N91.3Very high94.6Very high35 Ų3539.7 Ų39.719%0.18720%0.199CC..SBendtrans-91.7-1.5172.761.1-68.9000114N142 I400 L403 L410 T413N115-N142 PolarHBondContact O-ND2 2.53Å; N115-I400 HydrophobicContact CB-CD1 3.58Å; N115-L403 HydrophobicContact CB-CD1 3.94Å; N115-L410 HydrophobicContact CB-CD2 4.01Å; N115-T413 PolarHBondContact N-OG1 3.36Å; N115-T413 PolarHBondContact OD1-OG1 2.84Å
116D94.7Very high94.5Very high17 Ų1734.3 Ų34.39%0.09118%0.182CC..BIsolated β-bridgetrans-129.8166.8177.966.564.6000110.5P111 R114 F118 Y119 H143P111-D116 WeakPolarHBondContact CB-O 3.38Å; R114-D116 IonicContact CZ-OD1 3.04Å; R114-D116 VanDerWaalsContact CZ-OD1 3.28Å; R114-D116 IonicContact CZ-OD2 2.71Å; R114-D116 IonicContact NE-OD1 3.53Å; R114-D116 PolarHBondContact NE-OD1 3.43Å; R114-D116 IonicContact NE-OD2 2.65Å; R114-D116 PolarHBondContact NE-OD2 2.9Å; R114-D116 IonicContact NH2-OD1 2.75Å; R114-D116 PolarHBondContact NH2-OD1 3.32Å; R114-D116 VanDerWaalsContact NH2-OD1 3.17Å; R114-D116 IonicContact NH2-OD2 3.05Å; R114-D116 PolarHBondContact NH2-OD2 2.91Å; D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 2.85Å; D116-F118 WeakPolarHBondContact OD1-CA 3.22Å; D116-F118 PolarHBondContact OD1-N 3.02Å; D116-Y119 PolarHBondContact OD1-N 3.28Å; D116-H143 WeakPolarHBondContact CA-O 3.36Å; D116-H143 HydrophobicContact CB-CB 3.83Å
117F96.3Very high94.5Very high0 Ų033.9 Ų33.90%018%0.18CC..SBendtrans-89.561.7176.4-65.1-73.7000112.4A109 P111 Y119 F123 Q127 V128 I140 N142 H143 M144A109-F117 WeakPolarHBondContact O-CZ 3.47Å; P111-F117 HydrophobicContact CB-CD1 3.75Å; P111-F117 HydrophobicContact CB-CE1 3.94Å; P111-F117 HydrophobicContact CB-CG 4.32Å; P111-F117 HydrophobicContact CG-CE1 4.5Å; P111-F117 VanDerWaalsContact N-CE1 3.31Å; F117-Y119 VanDerWaalsContact C-N 3.3Å; F117-Y119 PolarHBondContact O-N 3.01Å; F117-F123 HydrophobicContact CB-CD2 3.64Å; F117-F123 HydrophobicContact CB-CE2 3.98Å; F117-F123 HydrophobicContact CD1-CD2 4.18Å; F117-F123 AromaticContact CD1-CE2 3.61Å; F117-F123 HydrophobicContact CD1-CE2 3.61Å; F117-F123 HydrophobicContact CD2-CD2 4.03Å; F117-F123 AromaticContact CD2-CE2 3.88Å; F117-F123 HydrophobicContact CD2-CE2 3.88Å; F117-F123 AromaticContact CE1-CE2 3.9Å; F117-F123 HydrophobicContact CE1-CE2 3.9Å; F117-F123 HydrophobicContact CE2-CE2 4.11Å; F117-F123 AromaticContact CG-CD2 3.72Å; F117-F123 HydrophobicContact CG-CD2 3.72Å; F117-F123 AromaticContact CG-CE2 3.57Å; F117-F123 HydrophobicContact CG-CE2 3.57Å; F117-F123 HydrophobicContact CZ-CE2 4.12Å; F117-Q127 HydrophobicContact CB-CB 4.45Å; F117-Q127 HydrophobicContact CD1-CB 4.09Å; F117-Q127 PolarHBondContact O-OE1 2.85Å; F117-Q127 VanDerWaalsContact O-OE1 3.13Å; F117-V128 HydrophobicContact CE1-CG2 3.83Å; F117-V128 HydrophobicContact CZ-CG2 4.39Å; F117-I140 HydrophobicContact CE2-CG2 4.03Å; F117-I140 HydrophobicContact CZ-CG2 4.3Å; F117-N142 HydrophobicContact CD2-CB 3.99Å; F117-N142 HydrophobicContact CE2-CB 3.63Å; F117-N142 HydrophobicContact CZ-CB 4.34Å; F117-H143 WeakPolarHBondContact CD2-O 3.47Å; F117-H143 PolarHBondContact N-O 3.18Å; F117-M144 HydrophobicContact CB-CB 4.14Å; F117-M144 HydrophobicContact CD2-CB 3.99Å; F117-M144 HydrophobicContact CD2-CE 3.85Å; F117-M144 HydrophobicContact CE2-CE 3.82Å
118F94.1Very high94.5Very high71 Ų7130.4 Ų30.431%0.31116%0.163SC..SBendtrans53.942.4178.7-66.4-88.9000114.2D116 S121 Q127D116-F118 VanDerWaalsContact C-N 3.33Å; D116-F118 PolarHBondContact O-N 2.85Å; D116-F118 WeakPolarHBondContact OD1-CA 3.22Å; D116-F118 PolarHBondContact OD1-N 3.02Å; F118-S121 WeakPolarHBondContact O-CB 3.42Å; F118-S121 PolarHBondContact O-N 3.32Å; F118-S121 VanDerWaalsContact O-N 3.1Å; F118-Q127 HydrophobicContact CD2-CB 3.99Å; F118-Q127 HydrophobicContact CD2-CG 3.74Å; F118-Q127 HydrophobicContact CE2-CB 4.39Å; F118-Q127 HydrophobicContact CE2-CG 4.36Å
119Y94.6Very high94.4Very high4 Ų432.4 Ų32.42%0.01617%0.172CC..THydrogen-bonded Turntrans-60.1137174-168.4-90.2000110.2H86 R114 D116 F117 R145 F214 Y215 F222 D223H86-Y119 AromaticContact CE1-CE1 3.84Å; H86-Y119 AromaticContact CE1-CE2 3.7Å; H86-Y119 AromaticContact CE1-CZ 3.5Å; H86-Y119 VanDerWaalsContact CE1-CZ 3.5Å; H86-Y119 AromaticContact ND1-CZ 3.99Å; R114-Y119 PolarHBondContact NH2-O 2.72Å; D116-Y119 PolarHBondContact OD1-N 3.28Å; F117-Y119 VanDerWaalsContact C-N 3.3Å; F117-Y119 PolarHBondContact O-N 3.01Å; Y119-R145 HydrophobicContact CD2-CB 4Å; Y119-R145 HydrophobicContact CE2-CB 4.06Å; Y119-F214 HydrophobicContact CD1-CE2 4.19Å; Y119-F214 AromaticContact CE1-CD2 3.94Å; Y119-F214 HydrophobicContact CE1-CD2 3.94Å; Y119-F214 AromaticContact CE1-CE2 3.45Å; Y119-F214 HydrophobicContact CE1-CE2 3.45Å; Y119-F214 VanDerWaalsContact CE1-CE2 3.45Å; Y119-F214 HydrophobicContact CE1-CZ 4.2Å; Y119-Y215 AromaticContact CE1-CE1 3.9Å; Y119-Y215 HydrophobicContact CE1-CE1 3.9Å; Y119-F222 HydrophobicContact CE1-CE1 4.2Å; Y119-F222 HydrophobicContact CE2-CD1 4.28Å; Y119-F222 HydrophobicContact CE2-CE1 4.15Å; Y119-F222 AromaticContact CZ-CD1 3.79Å; Y119-F222 AromaticContact CZ-CE1 3.66Å; Y119-F222 WeakPolarHBondContact OH-CD1 3.45Å; Y119-D223 WeakPolarHBondContact CE2-OD1 3.19Å; Y119-D223 PolarHBondContact OH-OD1 2.96Å
120P95.8Very high94.1Very high34 Ų3437.8 Ų37.822%0.22120%0.201CC..THydrogen-bonded Turncis-96.48.917.240-40.4000116.3R145 F214 F222P120-R145 WeakPolarHBondContact O-CD 3.34Å; P120-F214 HydrophobicContact CB-CD1 4.06Å; P120-F214 HydrophobicContact CB-CD2 4.49Å; P120-F214 HydrophobicContact CB-CE1 3.56Å; P120-F214 HydrophobicContact CB-CE2 4.08Å; P120-F214 HydrophobicContact CB-CZ 3.59Å; P120-F214 HydrophobicContact CG-CD1 4.31Å; P120-F214 HydrophobicContact CG-CE1 3.51Å; P120-F214 HydrophobicContact CG-CZ 3.76Å; P120-F222 HydrophobicContact CB-CE1 3.89Å; P120-F222 HydrophobicContact CB-CZ 3.93Å
121S96.8Very high93.8Very high73 Ų7339.1 Ų39.151%0.5121%0.206SC..SBendtrans-65.4146.3177.6-62.90000111F118 F123 R145F118-S121 WeakPolarHBondContact O-CB 3.42Å; F118-S121 PolarHBondContact O-N 3.32Å; F118-S121 VanDerWaalsContact O-N 3.1Å; S121-F123 PolarHBondContact O-N 3.38Å; S121-R145 WeakPolarHBondContact O-CB 3.18Å
122L98.2Very high93.6Very high78 Ų7846 Ų4641%0.40824%0.236SC..BIsolated β-bridgetrans-53.1138.6171.6-76.4169.2000110.1R145 F146 N147L122-R145 HydrophobicContact CD2-CG 3.96Å; L122-F146 WeakPolarHBondContact CD2-O 3.36Å; L122-N147 HydrophobicContact CB-CB 4.42Å
123F98.2Very high93.6Very high0 Ų045.7 Ų45.70%024%0.237CC..PPolyproline II helixtrans-56.1142.1179.4176.4-101000111.1F117 S121 V128 M144 R145 N147 E150 V151 L154F117-F123 HydrophobicContact CB-CD2 3.64Å; F117-F123 HydrophobicContact CB-CE2 3.98Å; F117-F123 HydrophobicContact CD1-CD2 4.18Å; F117-F123 AromaticContact CD1-CE2 3.61Å; F117-F123 HydrophobicContact CD1-CE2 3.61Å; F117-F123 HydrophobicContact CD2-CD2 4.03Å; F117-F123 AromaticContact CD2-CE2 3.88Å; F117-F123 HydrophobicContact CD2-CE2 3.88Å; F117-F123 AromaticContact CE1-CE2 3.9Å; F117-F123 HydrophobicContact CE1-CE2 3.9Å; F117-F123 HydrophobicContact CE2-CE2 4.11Å; F117-F123 AromaticContact CG-CD2 3.72Å; F117-F123 HydrophobicContact CG-CD2 3.72Å; F117-F123 AromaticContact CG-CE2 3.57Å; F117-F123 HydrophobicContact CG-CE2 3.57Å; F117-F123 HydrophobicContact CZ-CE2 4.12Å; S121-F123 PolarHBondContact O-N 3.38Å; F123-V128 HydrophobicContact CE2-CG2 4.29Å; F123-V128 HydrophobicContact CZ-CG2 3.93Å; F123-M144 HydrophobicContact CB-CB 4.12Å; F123-M144 HydrophobicContact CB-CG 4.49Å; F123-M144 HydrophobicContact CB-SD 3.98Å; F123-M144 HydrophobicContact CD1-SD 4.42Å; F123-M144 HydrophobicContact CD2-CB 4.09Å; F123-M144 HydrophobicContact CD2-CE 3.91Å; F123-M144 HydrophobicContact CD2-SD 4.09Å; F123-M144 HydrophobicContact CE2-CE 4.06Å; F123-M144 HydrophobicContact CG-CB 4.43Å; F123-M144 HydrophobicContact CG-CE 4.24Å; F123-M144 HydrophobicContact CG-SD 3.9Å; F123-R145 VanDerWaalsContact CB-O 3.29Å; F123-R145 WeakPolarHBondContact CB-O 3.43Å; F123-R145 PolarHBondContact N-O 2.92Å; F123-N147 HydrophobicContact CB-CB 3.9Å; F123-N147 WeakPolarHBondContact O-CB 3.38Å; F123-N147 PolarHBondContact O-ND2 2.66Å; F123-E150 HydrophobicContact CD1-CB 3.99Å; F123-E150 HydrophobicContact CE1-CB 4.3Å; F123-V151 HydrophobicContact CD1-CG2 3.57Å; F123-V151 HydrophobicContact CE1-CG2 3.78Å; F123-V151 HydrophobicContact CG-CG2 4.36Å; F123-L154 HydrophobicContact CE1-CD1 3.77Å; F123-L154 HydrophobicContact CZ-CD1 3.53Å
124Q96.8Very high93.4Very high54 Ų5446.2 Ų46.225%0.25225%0.245SC..  trans-136.4141.1167.8-63-176.58.500109.2Q36 S126 Q127Q36-Q124 VanDerWaalsContact OE1-CD 3.26Å; Q124-S126 PolarHBondContact O-N 3.4Å; Q124-S126 VanDerWaalsContact O-N 3.1Å; Q124-S126 PolarHBondContact OE1-OG 2.82Å; Q124-Q127 HydrophobicContact CB-CG 4.25Å; Q124-Q127 WeakPolarHBondContact O-CB 3.33Å; Q124-Q127 WeakPolarHBondContact O-CG 3.42Å; Q124-Q127 PolarHBondContact O-N 3.14Å; Q124-Q127 PolarHBondContact O-OE1 3.13Å
125R95.2Very high93.3Very high33 Ų3347 Ų4713%0.12525%0.251CS..G310 helixtrans-61.5-23.3-179.966.8-163.2142.4149.1-0.2114.2Q127 V128 Y131 E150 L154R125-Q127 PolarHBondContact O-N 3.32Å; R125-V128 WeakPolarHBondContact O-CB 3.44Å; R125-V128 PolarHBondContact O-N 3Å; R125-Y131 HydrophobicContact CB-CE1 4.44Å; R125-Y131 WeakPolarHBondContact CD-OH 3.23Å; R125-Y131 HydrophobicContact CG-CD1 4.33Å; R125-Y131 HydrophobicContact CG-CE1 3.77Å; R125-E150 WeakPolarHBondContact CD-OE2 3.2Å; R125-E150 VanDerWaalsContact CG-OE2 3.29Å; R125-E150 WeakPolarHBondContact CG-OE2 3.38Å; R125-E150 IonicContact CZ-OE1 3.49Å; R125-E150 IonicContact CZ-OE2 2.84Å; R125-E150 PolarHBondContact N-OE2 3.34Å; R125-E150 IonicContact NE-OE1 2.86Å; R125-E150 PolarHBondContact NE-OE1 3.47Å; R125-E150 IonicContact NE-OE2 3.42Å; R125-E150 PolarHBondContact NE-OE2 3.39Å; R125-E150 IonicContact NH2-OE1 2.73Å; R125-E150 PolarHBondContact NH2-OE1 2.93Å; R125-E150 IonicContact NH2-OE2 3.8Å; R125-L154 HydrophobicContact CB-CD1 3.81Å; R125-L154 HydrophobicContact CB-CD2 3.81Å; R125-L154 HydrophobicContact CB-CG 3.79Å
126S93.6Very high93.2Very high67 Ų6745.8 Ų45.847%0.46924%0.244SC..G310 helixtrans-62-18.1172.458.30000113.6Q36 Q124 V128Q36-S126 PolarHBondContact NE2-OG 3.23Å; Q124-S126 PolarHBondContact O-N 3.4Å; Q124-S126 VanDerWaalsContact O-N 3.1Å; Q124-S126 PolarHBondContact OE1-OG 2.82Å; S126-V128 VanDerWaalsContact C-N 3.3Å
127Q95.3Very high93.2Very high14 Ų1445.2 Ų45.27%0.06524%0.241CC..G310 helixtrans-80.1-13176.2-58.5166.5-25.300112.5F117 F118 Q124 R125F117-Q127 HydrophobicContact CB-CB 4.45Å; F117-Q127 HydrophobicContact CD1-CB 4.09Å; F117-Q127 PolarHBondContact O-OE1 2.85Å; F117-Q127 VanDerWaalsContact O-OE1 3.13Å; F118-Q127 HydrophobicContact CD2-CB 3.99Å; F118-Q127 HydrophobicContact CD2-CG 3.74Å; F118-Q127 HydrophobicContact CE2-CB 4.39Å; F118-Q127 HydrophobicContact CE2-CG 4.36Å; Q124-Q127 HydrophobicContact CB-CG 4.25Å; Q124-Q127 WeakPolarHBondContact O-CB 3.33Å; Q124-Q127 WeakPolarHBondContact O-CG 3.42Å; Q124-Q127 PolarHBondContact O-N 3.14Å; Q124-Q127 PolarHBondContact O-OE1 3.13Å; R125-Q127 PolarHBondContact O-N 3.32Å
128V95.8Very high93.3Very high4 Ų446 Ų462%0.02425%0.246CC..BIsolated β-bridgetrans-72.8130175.3176.90000109.3A109 F110 F117 F123 R125 S126 D130 Y131 F137 L154A109-V128 HydrophobicContact CB-CG1 3.83Å; A109-V128 HydrophobicContact CB-CG2 4.03Å; F110-V128 WeakPolarHBondContact O-CA 3.17Å; F117-V128 HydrophobicContact CE1-CG2 3.83Å; F117-V128 HydrophobicContact CZ-CG2 4.39Å; F123-V128 HydrophobicContact CE2-CG2 4.29Å; F123-V128 HydrophobicContact CZ-CG2 3.93Å; R125-V128 WeakPolarHBondContact O-CB 3.44Å; R125-V128 PolarHBondContact O-N 3Å; S126-V128 VanDerWaalsContact C-N 3.3Å; V128-D130 PolarHBondContact O-N 3.07Å; V128-Y131 WeakPolarHBondContact O-CB 3.48Å; V128-Y131 PolarHBondContact O-N 3.04Å; V128-F137 HydrophobicContact CG1-CE1 3.92Å; V128-F137 HydrophobicContact CG1-CE2 4.08Å; V128-F137 HydrophobicContact CG1-CZ 3.56Å; V128-L154 HydrophobicContact CG2-CD1 3.65Å
129K93.2Very high93.4Very high66 Ų6642.7 Ų42.729%0.28723%0.231SC..THydrogen-bonded Turntrans-54.4130.1177.6-174.6-168.4170.9-160.30110.3F110 N112 Y131 G407F110-K129 WeakPolarHBondContact O-CB 3.37Å; F110-K129 PolarHBondContact O-N 2.94Å; N112-K129 HydrophobicContact CB-CB 4.04Å; N112-K129 HydrophobicContact CB-CG 4.2Å; K129-Y131 PolarHBondContact O-N 2.66Å; K129-Y131 VanDerWaalsContact O-N 3.11Å; K129-G407 PolarHBondContact NZ-O 2.86Å
130D90.7Very high93.6Very high113 Ų11342.5 Ų42.560%0.60423%0.23SC*.THydrogen-bonded Turntrans58.618.6176.8-52-38.7000114.9V128 K132 M135V128-D130 PolarHBondContact O-N 3.07Å; D130-K132 PolarHBondContact O-N 3.49Å; D130-M135 VanDerWaalsContact O-SD 3.34Å
131Y92.6Very high93.7Very high46 Ų4640.9 Ų40.918%0.1822%0.22CC..  trans-59.6136.4-179.2173.5-102.4000112.7R125 V128 K129 M135 F137 L154R125-Y131 HydrophobicContact CB-CE1 4.44Å; R125-Y131 WeakPolarHBondContact CD-OH 3.23Å; R125-Y131 HydrophobicContact CG-CD1 4.33Å; R125-Y131 HydrophobicContact CG-CE1 3.77Å; V128-Y131 WeakPolarHBondContact O-CB 3.48Å; V128-Y131 PolarHBondContact O-N 3.04Å; K129-Y131 PolarHBondContact O-N 2.66Å; K129-Y131 VanDerWaalsContact O-N 3.11Å; Y131-M135 HydrophobicContact CD2-CB 4.33Å; Y131-M135 HydrophobicContact CE2-CB 4.42Å; Y131-F137 HydrophobicContact CD2-CE2 4.1Å; Y131-L154 HydrophobicContact CD2-CD2 3.52Å; Y131-L154 HydrophobicContact CE2-CD2 3.4Å; Y131-L154 VanDerWaalsContact CE2-CD2 3.4Å
132K89.9Confident93.7Very high144 Ų14437.4 Ų37.463%0.62620%0.195SC*.  trans-133.8147.1170.8-62.1176.6-176.5176.30109.1D130 G134 M135D130-K132 PolarHBondContact O-N 3.49Å; K132-G134 PolarHBondContact O-N 2.86Å; K132-M135 HydrophobicContact CB-CG 4.07Å; K132-M135 HydrophobicContact CB-SD 3.84Å; K132-M135 HydrophobicContact CG-SD 4.2Å; K132-M135 PolarHBondContact N-SD 3.42Å; K132-M135 VanDerWaalsContact O-CB 3.29Å; K132-M135 WeakPolarHBondContact O-CB 3.22Å; K132-M135 VanDerWaalsContact O-CG 3.27Å; K132-M135 WeakPolarHBondContact O-CG 3.36Å; K132-M135 PolarHBondContact O-N 2.93Å
133P87.1Confident93.6Very high61 Ų6134.7 Ų34.740%0.39618%0.181SC..THydrogen-bonded Turntrans-50.4133.7174.5-28.436.4000112.5P41 I44 M135P41-P133 HydrophobicContact CB-CG 4.34Å; P41-P133 HydrophobicContact CG-CG 4.46Å; I44-P133 HydrophobicContact CB-CB 4.44Å; I44-P133 HydrophobicContact CD1-CB 3.9Å; I44-P133 HydrophobicContact CG1-CB 4.24Å; P133-M135 VanDerWaalsContact C-N 3.34Å
134G81.4Confident93.6Very high24 Ų2434.7 Ų34.725%0.24718%0.181CC..THydrogen-bonded Turntrans85.2-4.1-177.500000115.2K132K132-G134 PolarHBondContact O-N 2.86Å
135M88.8Confident93.7Very high50 Ų5034.6 Ų34.625%0.24618%0.178CC..  trans-66.2142.9170.9-73.2-175.57200111.4D130 Y131 K132 P133 F137D130-M135 VanDerWaalsContact O-SD 3.34Å; Y131-M135 HydrophobicContact CD2-CB 4.33Å; Y131-M135 HydrophobicContact CE2-CB 4.42Å; K132-M135 HydrophobicContact CB-CG 4.07Å; K132-M135 HydrophobicContact CB-SD 3.84Å; K132-M135 HydrophobicContact CG-SD 4.2Å; K132-M135 PolarHBondContact N-SD 3.42Å; K132-M135 VanDerWaalsContact O-CB 3.29Å; K132-M135 WeakPolarHBondContact O-CB 3.22Å; K132-M135 VanDerWaalsContact O-CG 3.27Å; K132-M135 WeakPolarHBondContact O-CG 3.36Å; K132-M135 PolarHBondContact O-N 2.93Å; P133-M135 VanDerWaalsContact C-N 3.34Å; M135-F137 HydrophobicContact CB-CE2 3.9Å; M135-F137 HydrophobicContact CB-CZ 4.27Å; M135-F137 HydrophobicContact CE-CE1 4.25Å; M135-F137 HydrophobicContact CE-CZ 3.78Å
136C89.3Confident93.8Very high8 Ų833.2 Ų33.25%0.05417%0.173CC..  trans-120.4141179-169.20000108.8V46 P47 C50 Q107V46-C136 HydrophobicContact CG1-CB 3.88Å; P47-C136 HydrophobicContact CG-CB 3.68Å; C50-C136 WeakPolarHBondContact CA-SG 3.38Å; C50-C136 HydrophobicContact CB-CB 3.65Å; C50-C136 WeakPolarHBondContact CB-SG 3.45Å; C50-C136 PolarHBondContact N-SG 3.23Å; C50-C136 VanDerWaalsContact N-SG 3.35Å; C50-C136 WeakPolarHBondContact SG-CB 3.45Å; C50-C136 CovalentContact SG-SG 2.04Å; C50-C136 PolarHBondContact SG-SG 3.16Å; Q107-C136 VanDerWaalsContact CD-O 3.31Å; Q107-C136 PolarHBondContact NE2-O 3.1Å; Q107-C136 PolarHBondContact OE1-O 3.17Å
137F95Very high94.1Very high6 Ų631.8 Ų31.83%0.02616%0.16CC..  trans-125.5143.7177.2-60.6-92.6000109.6C50 Q107 F108 A109 V128 Y131 M135 L154 L155C50-F137 PolarHBondContact SG-N 2.61Å; C50-F137 PolarHBondContact SG-O 2.57Å; Q107-F137 HydrophobicContact CG-CD1 3.8Å; Q107-F137 HydrophobicContact CG-CE1 4.26Å; F108-F137 VanDerWaalsContact C-CD1 3.45Å; F108-F137 VanDerWaalsContact O-CD1 3.31Å; F108-F137 WeakPolarHBondContact O-CD1 3.24Å; A109-F137 VanDerWaalsContact CA-CD1 3.43Å; A109-F137 HydrophobicContact CB-CB 3.84Å; A109-F137 HydrophobicContact CB-CD1 3.63Å; A109-F137 HydrophobicContact CB-CD2 4.04Å; A109-F137 HydrophobicContact CB-CE1 4.15Å; A109-F137 HydrophobicContact CB-CG 3.56Å; V128-F137 HydrophobicContact CG1-CE1 3.92Å; V128-F137 HydrophobicContact CG1-CE2 4.08Å; V128-F137 HydrophobicContact CG1-CZ 3.56Å; Y131-F137 HydrophobicContact CD2-CE2 4.1Å; M135-F137 HydrophobicContact CB-CE2 3.9Å; M135-F137 HydrophobicContact CB-CZ 4.27Å; M135-F137 HydrophobicContact CE-CE1 4.25Å; M135-F137 HydrophobicContact CE-CZ 3.78Å; F137-L154 HydrophobicContact CD2-CB 4.21Å; F137-L154 HydrophobicContact CD2-CD2 3.82Å; F137-L154 HydrophobicContact CE2-CD2 3.69Å; F137-L154 PolarHBondContact N-O 3.06Å; F137-L155 VanDerWaalsContact O-CD2 3.23Å; F137-L155 WeakPolarHBondContact O-CD2 3.37Å
138N96.6Very high94.1Very high17 Ų1731.3 Ų31.39%0.09116%0.159CC..SBendtrans-81.6-43.1175.8-57.9109.4000110.7D79 I80 L106 Q107D79-N138 CarbonylContact C-O 3.55Å; D79-N138 VanDerWaalsContact CA-O 3.27Å; D79-N138 WeakPolarHBondContact CA-O 3.31Å; D79-N138 WeakPolarHBondContact OD1-CA 3.35Å; D79-N138 PolarHBondContact OD1-ND2 3.44Å; I80-N138 PolarHBondContact N-O 3.29Å; L106-N138 HydrophobicContact CB-CB 3.91Å; L106-N138 HydrophobicContact CD1-CB 4.49Å; L106-N138 HydrophobicContact CD2-CB 4.27Å; L106-N138 HydrophobicContact CG-CB 4.44Å; Q107-N138 PolarHBondContact N-OD1 3.02Å; Q107-N138 PolarHBondContact O-N 3.48Å
139I97.9Very high94.1Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-125.8128.8-172.3-57.7177.5000111.8I80 L106 Q107 F108 A109 C141I80-I139 HydrophobicContact CB-CG1 4.42Å; I80-I139 VanDerWaalsContact O-CA 3.31Å; I80-I139 WeakPolarHBondContact O-CA 3.47Å; L106-I139 HydrophobicContact CB-CD1 4.33Å; L106-I139 HydrophobicContact CD1-CD1 3.73Å; L106-I139 HydrophobicContact CD1-CG1 4.26Å; Q107-I139 PolarHBondContact O-N 3.25Å; Q107-I139 VanDerWaalsContact O-N 3.14Å; F108-I139 CarbonylContact C-O 3.39Å; F108-I139 WeakPolarHBondContact CA-O 3.37Å; F108-I139 HydrophobicContact CD1-CB 3.64Å; F108-I139 HydrophobicContact CD1-CD1 4.5Å; F108-I139 HydrophobicContact CD1-CG2 3.69Å; F108-I139 HydrophobicContact CE1-CB 3.76Å; F108-I139 HydrophobicContact CE1-CD1 3.8Å; F108-I139 HydrophobicContact CE1-CG1 4.35Å; F108-I139 HydrophobicContact CE1-CG2 3.61Å; F108-I139 HydrophobicContact CG-CB 4.37Å; F108-I139 HydrophobicContact CZ-CD1 3.9Å; A109-I139 PolarHBondContact N-O 2.87Å; I139-C141 HydrophobicContact CG2-CB 4.08Å
140I97.9Very high94.3Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-120.5123.1165.4-49.5-170.5000108I80 F82 A109 F117 M144 L154 L155I80-I140 PolarHBondContact O-N 3.44Å; I80-I140 VanDerWaalsContact O-N 3.08Å; F82-I140 PolarHBondContact N-O 3.45Å; A109-I140 HydrophobicContact CB-CD1 4.01Å; A109-I140 HydrophobicContact CB-CG1 3.66Å; F117-I140 HydrophobicContact CE2-CG2 4.03Å; F117-I140 HydrophobicContact CZ-CG2 4.3Å; I140-M144 HydrophobicContact CG2-CE 3.5Å; I140-M144 VanDerWaalsContact CG2-CE 3.5Å; I140-L154 HydrophobicContact CD1-CB 3.85Å; I140-L154 HydrophobicContact CD1-CD1 3.8Å; I140-L155 HydrophobicContact CD1-CD1 3.82Å; I140-L155 HydrophobicContact CD1-CD2 3.94Å; I140-L155 HydrophobicContact CD1-CG 3.75Å; I140-L155 HydrophobicContact CG1-CD1 4.25Å; I140-L155 HydrophobicContact CG1-CD2 3.82Å; I140-L155 HydrophobicContact CG1-CG 4.19Å
141C97.6Very high94.6Very high0 Ų027.9 Ų27.90%015%0.147CC..  trans-1501.8-172.259.10000116.2F82 K84 L94 L97 F98 I139F82-C141 HydrophobicContact CB-CB 3.99Å; F82-C141 HydrophobicContact CD1-CB 4Å; K84-C141 WeakPolarHBondContact CB-O 3.2Å; L94-C141 WeakPolarHBondContact CD1-O 3.24Å; L97-C141 HydrophobicContact CD1-CB 3.66Å; F98-C141 VanDerWaalsContact CE1-SG 3.59Å; I139-C141 HydrophobicContact CG2-CB 4.08Å
142N97Very high94.6Very high0 Ų028 Ų280%016%0.157CC..SBendtrans-80.6162175.5-70.772.2000111.9F110 P111 N115 F117 M144 L403F110-N142 VanDerWaalsContact CD1-OD1 3.28Å; F110-N142 WeakPolarHBondContact CD1-OD1 3.33Å; P111-N142 HydrophobicContact CG-CB 4.32Å; N115-N142 PolarHBondContact O-ND2 2.53Å; F117-N142 HydrophobicContact CD2-CB 3.99Å; F117-N142 HydrophobicContact CE2-CB 3.63Å; F117-N142 HydrophobicContact CZ-CB 4.34Å; N142-M144 PolarHBondContact O-N 3.21Å; N142-L403 WeakPolarHBondContact ND2-CD2 3.41Å
143H96.4Very high94.7Very high21 Ų2123.8 Ų23.810%0.09714%0.138CC..BIsolated β-bridgetrans-58.5134.8174.7-77.6-61.4000111.5K84 H86 D116 F117K84-H143 WeakPolarHBondContact CE-NE2 3.41Å; K84-H143 PolarHBondContact NZ-CD2 3.37Å; K84-H143 PolarHBondContact NZ-NE2 3.47Å; K84-H143 PolarHBondContact O-ND1 3.39Å; H86-H143 AromaticContact CD2-CE1 3.55Å; H86-H143 AromaticContact CD2-ND1 3.82Å; H86-H143 AromaticContact CD2-NE2 3.96Å; H86-H143 AromaticContact CE1-ND1 3.71Å; H86-H143 AromaticContact CG-CE1 3.93Å; H86-H143 AromaticContact NE2-CE1 3.73Å; H86-H143 AromaticContact NE2-CG 3.76Å; H86-H143 AromaticContact NE2-ND1 3.53Å; D116-H143 WeakPolarHBondContact CA-O 3.36Å; D116-H143 HydrophobicContact CB-CB 3.83Å; F117-H143 WeakPolarHBondContact CD2-O 3.47Å; F117-H143 PolarHBondContact N-O 3.18Å
144M97.5Very high95.1Very high0 Ų020.9 Ų20.90%012%0.12CC..  trans-149.2165.7173.765.7176.567.500109.3M81 M83 F117 F123 I140 N142 F146 V151M81-M144 HydrophobicContact CE-CE 4.3Å; M81-M144 HydrophobicContact CE-SD 4.07Å; M83-M144 HydrophobicContact CE-CG 3.79Å; M83-M144 VanDerWaalsContact CE-O 3.24Å; M83-M144 WeakPolarHBondContact CE-O 3.33Å; M83-M144 HydrophobicContact SD-CG 3.6Å; M83-M144 VanDerWaalsContact SD-CG 3.6Å; M83-M144 HydrophobicContact SD-SD 3.99Å; F117-M144 HydrophobicContact CB-CB 4.14Å; F117-M144 HydrophobicContact CD2-CB 3.99Å; F117-M144 HydrophobicContact CD2-CE 3.85Å; F117-M144 HydrophobicContact CE2-CE 3.82Å; F123-M144 HydrophobicContact CB-CB 4.12Å; F123-M144 HydrophobicContact CB-CG 4.49Å; F123-M144 HydrophobicContact CB-SD 3.98Å; F123-M144 HydrophobicContact CD1-SD 4.42Å; F123-M144 HydrophobicContact CD2-CB 4.09Å; F123-M144 HydrophobicContact CD2-CE 3.91Å; F123-M144 HydrophobicContact CD2-SD 4.09Å; F123-M144 HydrophobicContact CE2-CE 4.06Å; F123-M144 HydrophobicContact CG-CB 4.43Å; F123-M144 HydrophobicContact CG-CE 4.24Å; F123-M144 HydrophobicContact CG-SD 3.9Å; I140-M144 HydrophobicContact CG2-CE 3.5Å; I140-M144 VanDerWaalsContact CG2-CE 3.5Å; N142-M144 PolarHBondContact O-N 3.21Å; M144-F146 HydrophobicContact SD-CD2 4.14Å; M144-V151 HydrophobicContact CE-CG2 4.4Å; M144-V151 HydrophobicContact SD-CG2 3.88Å
145R98.4Very high95.7Very high52 Ų5220 Ų2020%0.19611%0.109CC..BIsolated β-bridgetrans-94.6117157.3-172.4176.5-178.5-1680.1107.3Y119 P120 S121 L122 F123 N147 F222 L226Y119-R145 HydrophobicContact CD2-CB 4Å; Y119-R145 HydrophobicContact CE2-CB 4.06Å; P120-R145 WeakPolarHBondContact O-CD 3.34Å; S121-R145 WeakPolarHBondContact O-CB 3.18Å; L122-R145 HydrophobicContact CD2-CG 3.96Å; F123-R145 VanDerWaalsContact CB-O 3.29Å; F123-R145 WeakPolarHBondContact CB-O 3.43Å; F123-R145 PolarHBondContact N-O 2.92Å; R145-N147 PolarHBondContact O-N 3.44Å; R145-F222 WeakPolarHBondContact CG-O 3.26Å; R145-L226 PolarHBondContact NH2-O 2.82Å; R145-L226 VanDerWaalsContact NH2-O 3.16Å
146F98.6Very high95.8Very high5 Ų517.8 Ų17.82%0.02210%0.099CC..  trans-61.4130.4-162.4-173.7-124.6000112.4M81 M83 L122 M144 A148 V151 Y161 D223 G225 F243 F248M81-F146 HydrophobicContact CE-CD2 3.82Å; M81-F146 HydrophobicContact CE-CE2 3.62Å; M81-F146 HydrophobicContact SD-CE2 4.36Å; M83-F146 HydrophobicContact CE-CB 3.88Å; M83-F146 HydrophobicContact SD-CB 3.79Å; M83-F146 HydrophobicContact SD-CD2 3.77Å; M83-F146 HydrophobicContact SD-CG 4.08Å; L122-F146 WeakPolarHBondContact CD2-O 3.36Å; M144-F146 HydrophobicContact SD-CD2 4.14Å; F146-A148 HydrophobicContact CD1-CB 4.4Å; F146-A148 HydrophobicContact CE1-CB 3.7Å; F146-A148 HydrophobicContact CZ-CB 3.93Å; F146-V151 HydrophobicContact CD2-CG2 4.12Å; F146-V151 HydrophobicContact CE2-CB 4.2Å; F146-V151 HydrophobicContact CE2-CG1 4.25Å; F146-V151 HydrophobicContact CE2-CG2 3.92Å; F146-Y161 HydrophobicContact CE2-CE1 4.4Å; F146-Y161 HydrophobicContact CZ-CE1 4.23Å; F146-D223 WeakPolarHBondContact CB-O 3.36Å; F146-D223 PolarHBondContact N-O 3.17Å; F146-G225 WeakPolarHBondContact O-CA 3.1Å; F146-F243 HydrophobicContact CD1-CE1 4.08Å; F146-F243 HydrophobicContact CD1-CZ 4.33Å; F146-F243 AromaticContact CE1-CE1 3.86Å; F146-F243 HydrophobicContact CE1-CE1 3.86Å; F146-F243 AromaticContact CE1-CZ 3.89Å; F146-F243 HydrophobicContact CE1-CZ 3.89Å; F146-F248 HydrophobicContact CE1-CE2 4.31Å; F146-F248 HydrophobicContact CE1-CZ 4.4Å; F146-F248 HydrophobicContact CZ-CZ 4.26Å
147N98.4Very high95.7Very high37 Ų3725.2 Ų25.220%0.19814%0.137CC..  trans-129.492.1171.7-174.9-12.6000108.5L122 F123 R145 P149 E150 V151L122-N147 HydrophobicContact CB-CB 4.42Å; F123-N147 HydrophobicContact CB-CB 3.9Å; F123-N147 WeakPolarHBondContact O-CB 3.38Å; F123-N147 PolarHBondContact O-ND2 2.66Å; R145-N147 PolarHBondContact O-N 3.44Å; N147-P149 VanDerWaalsContact OD1-CD 3.3Å; N147-P149 WeakPolarHBondContact OD1-CD 3.4Å; N147-E150 HydrophobicContact CB-CB 4.25Å; N147-E150 WeakPolarHBondContact ND2-CG 3.26Å; N147-E150 PolarHBondContact O-N 3.01Å; N147-E150 VanDerWaalsContact O-N 3.08Å; N147-V151 WeakPolarHBondContact O-CG2 3.36Å; N147-V151 PolarHBondContact O-N 3.36Å
148A96.8Very high95.4Very high4 Ų428.9 Ų28.93%0.03316%0.157CC..Hα-helixtrans-50.7-51.8-174.100000114.7F146 E150 V151 A152 F243F146-A148 HydrophobicContact CD1-CB 4.4Å; F146-A148 HydrophobicContact CE1-CB 3.7Å; F146-A148 HydrophobicContact CZ-CB 3.93Å; A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.34Å; A148-V151 PolarHBondContact O-N 2.92Å; A148-A152 WeakPolarHBondContact O-CB 3.41Å; A148-A152 PolarHBondContact O-N 3.24Å; A148-F243 HydrophobicContact CB-CE2 4.11Å; A148-F243 HydrophobicContact CB-CZ 3.6Å
149P96Very high95.4Very high80 Ų8028.1 Ų28.152%0.51915%0.153SC..Hα-helixtrans-56.7-38.5175.5-28.634.1000114.1N147 K153N147-P149 VanDerWaalsContact OD1-CD 3.3Å; N147-P149 WeakPolarHBondContact OD1-CD 3.4Å; P149-K153 VanDerWaalsContact O-CE 3.32Å; P149-K153 WeakPolarHBondContact O-CE 3.38Å; P149-K153 VanDerWaalsContact O-CG 3.28Å; P149-K153 WeakPolarHBondContact O-CG 3.26Å
150E96.6Very high95.3Very high31 Ų3128.3 Ų28.315%0.14515%0.154CC..Hα-helixtrans-78.3-33.7-178.6-72-64.2111.600112.5F123 R125 N147 A148 K153F123-E150 HydrophobicContact CD1-CB 3.99Å; F123-E150 HydrophobicContact CE1-CB 4.3Å; R125-E150 WeakPolarHBondContact CD-OE2 3.2Å; R125-E150 VanDerWaalsContact CG-OE2 3.29Å; R125-E150 WeakPolarHBondContact CG-OE2 3.38Å; R125-E150 IonicContact CZ-OE1 3.49Å; R125-E150 IonicContact CZ-OE2 2.84Å; R125-E150 PolarHBondContact N-OE2 3.34Å; R125-E150 IonicContact NE-OE1 2.86Å; R125-E150 PolarHBondContact NE-OE1 3.47Å; R125-E150 IonicContact NE-OE2 3.42Å; R125-E150 PolarHBondContact NE-OE2 3.39Å; R125-E150 IonicContact NH2-OE1 2.73Å; R125-E150 PolarHBondContact NH2-OE1 2.93Å; R125-E150 IonicContact NH2-OE2 3.8Å; N147-E150 HydrophobicContact CB-CB 4.25Å; N147-E150 WeakPolarHBondContact ND2-CG 3.26Å; N147-E150 PolarHBondContact O-N 3.01Å; N147-E150 VanDerWaalsContact O-N 3.08Å; A148-E150 VanDerWaalsContact C-N 3.29Å; A148-E150 PolarHBondContact O-N 3.34Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 WeakPolarHBondContact OE1-CE 3.13Å; E150-K153 IonicContact OE1-NZ 3.17Å; E150-K153 PolarHBondContact OE1-NZ 3.36Å
151V96.3Very high95.4Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-64.9-42.3173.1170.20000111.4M81 F123 M144 F146 N147 A148 K153 L154 L155 Y161M81-V151 HydrophobicContact CE-CG1 4.35Å; M81-V151 HydrophobicContact CG-CG1 3.78Å; F123-V151 HydrophobicContact CD1-CG2 3.57Å; F123-V151 HydrophobicContact CE1-CG2 3.78Å; F123-V151 HydrophobicContact CG-CG2 4.36Å; M144-V151 HydrophobicContact CE-CG2 4.4Å; M144-V151 HydrophobicContact SD-CG2 3.88Å; F146-V151 HydrophobicContact CD2-CG2 4.12Å; F146-V151 HydrophobicContact CE2-CB 4.2Å; F146-V151 HydrophobicContact CE2-CG1 4.25Å; F146-V151 HydrophobicContact CE2-CG2 3.92Å; N147-V151 WeakPolarHBondContact O-CG2 3.36Å; N147-V151 PolarHBondContact O-N 3.36Å; A148-V151 PolarHBondContact O-N 2.92Å; V151-K153 PolarHBondContact O-N 3.26Å; V151-K153 VanDerWaalsContact O-N 3.11Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.1Å; V151-L155 HydrophobicContact CG1-CD1 3.62Å; V151-Y161 HydrophobicContact CG1-CE1 4.01Å
152A93.3Very high95.4Very high48 Ų4829.6 Ų29.640%0.39716%0.159SC..Hα-helixtrans-61.3-21.5178.600000113.3A148 L154A148-A152 WeakPolarHBondContact O-CB 3.41Å; A148-A152 PolarHBondContact O-N 3.24Å; A152-L154 PolarHBondContact O-N 3.49Å
153K92.9Very high95.5Very high55 Ų5529.6 Ų29.624%0.23916%0.159CC..THydrogen-bonded Turntrans-85.58.6179.2-63.5173.3-160.5179.70113.7E43 V46 P149 E150 V151E43-K153 IonicContact OE1-NZ 3.31Å; E43-K153 PolarHBondContact OE1-NZ 3Å; V46-K153 WeakPolarHBondContact CG2-O 3.47Å; P149-K153 VanDerWaalsContact O-CE 3.32Å; P149-K153 WeakPolarHBondContact O-CE 3.38Å; P149-K153 VanDerWaalsContact O-CG 3.28Å; P149-K153 WeakPolarHBondContact O-CG 3.26Å; E150-K153 PolarHBondContact O-N 3.44Å; E150-K153 WeakPolarHBondContact OE1-CE 3.13Å; E150-K153 IonicContact OE1-NZ 3.17Å; E150-K153 PolarHBondContact OE1-NZ 3.36Å; V151-K153 PolarHBondContact O-N 3.26Å; V151-K153 VanDerWaalsContact O-N 3.11Å
154L94.4Very high95.6Very high0 Ų028.6 Ų28.60%016%0.155CC..SBendtrans-121.8-12178.7-69.4174.6000113.7F123 R125 V128 Y131 F137 I140 V151 A152F123-L154 HydrophobicContact CE1-CD1 3.77Å; F123-L154 HydrophobicContact CZ-CD1 3.53Å; R125-L154 HydrophobicContact CB-CD1 3.81Å; R125-L154 HydrophobicContact CB-CD2 3.81Å; R125-L154 HydrophobicContact CB-CG 3.79Å; V128-L154 HydrophobicContact CG2-CD1 3.65Å; Y131-L154 HydrophobicContact CD2-CD2 3.52Å; Y131-L154 HydrophobicContact CE2-CD2 3.4Å; Y131-L154 VanDerWaalsContact CE2-CD2 3.4Å; F137-L154 HydrophobicContact CD2-CB 4.21Å; F137-L154 HydrophobicContact CD2-CD2 3.82Å; F137-L154 HydrophobicContact CE2-CD2 3.69Å; F137-L154 PolarHBondContact N-O 3.06Å; I140-L154 HydrophobicContact CD1-CB 3.85Å; I140-L154 HydrophobicContact CD1-CD1 3.8Å; V151-L154 PolarHBondContact O-N 3.38Å; V151-L154 VanDerWaalsContact O-N 3.1Å; A152-L154 PolarHBondContact O-N 3.49Å
155L93.7Very high95.6Very high5 Ų528.6 Ų28.63%0.02616%0.155CC..SBendtrans-127.9146.6-162.9-71.9171.1000110.9M81 F137 I140 V151 T159M81-L155 HydrophobicContact CB-CD1 3.69Å; M81-L155 HydrophobicContact CG-CD1 3.85Å; F137-L155 VanDerWaalsContact O-CD2 3.23Å; F137-L155 WeakPolarHBondContact O-CD2 3.37Å; I140-L155 HydrophobicContact CD1-CD1 3.82Å; I140-L155 HydrophobicContact CD1-CD2 3.94Å; I140-L155 HydrophobicContact CD1-CG 3.75Å; I140-L155 HydrophobicContact CG1-CD1 4.25Å; I140-L155 HydrophobicContact CG1-CD2 3.82Å; I140-L155 HydrophobicContact CG1-CG 4.19Å; V151-L155 HydrophobicContact CG1-CD1 3.62Å; L155-T159 HydrophobicContact CB-CG2 4.35Å; L155-T159 HydrophobicContact CD1-CG2 3.98Å; L155-T159 HydrophobicContact CD2-CG2 4.21Å; L155-T159 HydrophobicContact CG-CG2 4.41Å
156P91.8Very high95.6Very high5 Ų528.3 Ų28.33%0.03215%0.154CC..  trans-56.4153.6168.5-27.237.1000113C50 D79 D158 T159C50-P156 VanDerWaalsContact SG-CG 3.57Å; D79-P156 HydrophobicContact CB-CG 4.25Å; P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.31Å; P156-D158 PolarHBondContact O-N 3.16Å; P156-T159 WeakPolarHBondContact CD-OG1 3.48Å; P156-T159 VanDerWaalsContact O-CB 3.25Å; P156-T159 WeakPolarHBondContact O-CB 3.2Å; P156-T159 PolarHBondContact O-N 3.3Å; P156-T159 PolarHBondContact O-OG1 3.29Å
157L87.5Confident95.6Very high163 Ų16328.6 Ų28.685%0.85316%0.155SC*.THydrogen-bonded Turntrans-63.4-30-177.8-70.8174.3000113.7T159L157-T159 VanDerWaalsContact C-N 3.31Å
158D88.4Confident95.6Very high84 Ų8426.9 Ų26.945%0.44915%0.146SC..THydrogen-bonded Turntrans-92.112.1-179.466.8-29.9000113.6P156 S160P156-D158 VanDerWaalsContact C-N 3.27Å; P156-D158 WeakPolarHBondContact CB-OD1 3.31Å; P156-D158 PolarHBondContact O-N 3.16Å; D158-S160 PolarHBondContact O-N 3.36Å
159T95.5Very high95.6Very high1 Ų126.7 Ų26.71%0.00615%0.145CC..PPolyproline II helixtrans-55.7133.4176.7-64.80000111.7D79 M81 L155 P156 L157 Y161D79-T159 HydrophobicContact CB-CG2 4.48Å; M81-T159 HydrophobicContact CB-CG2 3.95Å; L155-T159 HydrophobicContact CB-CG2 4.35Å; L155-T159 HydrophobicContact CD1-CG2 3.98Å; L155-T159 HydrophobicContact CD2-CG2 4.21Å; L155-T159 HydrophobicContact CG-CG2 4.41Å; P156-T159 WeakPolarHBondContact CD-OG1 3.48Å; P156-T159 VanDerWaalsContact O-CB 3.25Å; P156-T159 WeakPolarHBondContact O-CB 3.2Å; P156-T159 PolarHBondContact O-N 3.3Å; P156-T159 PolarHBondContact O-OG1 3.29Å; L157-T159 VanDerWaalsContact C-N 3.31Å; T159-Y161 HydrophobicContact CG2-CD2 4.36Å; T159-Y161 HydrophobicContact CG2-CE2 4.15Å; T159-Y161 WeakPolarHBondContact O-CD2 3.38Å; T159-Y161 PolarHBondContact O-N 3.33Å
160S96.9Very high95.6Very high3 Ų324.7 Ų24.72%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-83.4116.1176.1-62.10000110.7K77 D79 M81 D158K77-S160 WeakPolarHBondContact CD-OG 3.46Å; K77-S160 PolarHBondContact NZ-OG 2.96Å; D79-S160 PolarHBondContact O-N 2.91Å; M81-S160 PolarHBondContact N-O 3.06Å; D158-S160 PolarHBondContact O-N 3.36Å
161Y98.4Very high95.5Very high24 Ų2423.3 Ų23.39%0.09412%0.122CC..EExtended strand (participates in β ladder)trans-88.7123.1177.1-78.6-107.6000110.8M81 F146 V151 T159 R247 F248 H249 L250M81-Y161 HydrophobicContact CB-CD1 3.74Å; M81-Y161 HydrophobicContact CB-CD2 4.29Å; M81-Y161 HydrophobicContact CB-CE1 3.81Å; M81-Y161 HydrophobicContact CB-CE2 4.34Å; M81-Y161 HydrophobicContact CB-CG 3.99Å; M81-Y161 HydrophobicContact CG-CD1 3.74Å; M81-Y161 HydrophobicContact CG-CE1 3.59Å; M81-Y161 HydrophobicContact CG-CG 4.49Å; M81-Y161 WeakPolarHBondContact O-CA 3.41Å; M81-Y161 HydrophobicContact SD-CD1 3.7Å; M81-Y161 HydrophobicContact SD-CE1 4Å; F146-Y161 HydrophobicContact CE2-CE1 4.4Å; F146-Y161 HydrophobicContact CZ-CE1 4.23Å; V151-Y161 HydrophobicContact CG1-CE1 4.01Å; T159-Y161 HydrophobicContact CG2-CD2 4.36Å; T159-Y161 HydrophobicContact CG2-CE2 4.15Å; T159-Y161 WeakPolarHBondContact O-CD2 3.38Å; T159-Y161 PolarHBondContact O-N 3.33Å; Y161-R247 WeakPolarHBondContact CB-O 2.96Å; Y161-R247 HydrophobicContact CD1-CG 4.03Å; Y161-R247 HydrophobicContact CE1-CG 4.4Å; Y161-R247 HydrophobicContact CG-CG 4.37Å; Y161-F248 HydrophobicContact CD1-CE1 4.38Å; Y161-H249 PolarHBondContact N-ND1 3.36Å; Y161-H249 PolarHBondContact O-N 3.37Å; Y161-L250 PolarHBondContact O-N 3.19Å
162I98.5Very high95.6Very high3 Ų323.5 Ų23.52%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-135143.1-171.2-53.3170000108.3I80 M81 F82 M83 F93 L250 M252 L264 L268I80-I162 HydrophobicContact CG2-CD1 3.92Å; M81-I162 PolarHBondContact O-N 3.35Å; F82-I162 CarbonylContact C-O 3.11Å; F82-I162 VanDerWaalsContact CA-O 3.31Å; F82-I162 WeakPolarHBondContact CA-O 3.3Å; F82-I162 HydrophobicContact CD2-CG2 4.49Å; M83-I162 PolarHBondContact N-O 2.88Å; F93-I162 HydrophobicContact CE1-CG2 4.42Å; I162-L250 WeakPolarHBondContact CA-O 3.46Å; I162-M252 HydrophobicContact CG2-CE 4.03Å; I162-L264 HydrophobicContact CD1-CD1 3.41Å; I162-L264 VanDerWaalsContact CD1-CD1 3.41Å; I162-L264 HydrophobicContact CG1-CD1 4.29Å; I162-L264 HydrophobicContact CG2-CD1 3.9Å; I162-L268 HydrophobicContact CD1-CD1 3.7Å; I162-L268 HydrophobicContact CD1-CD2 3.91Å; I162-L268 HydrophobicContact CD1-CG 4.16Å
163T98.7Very high95.7Very high0 Ų021.3 Ų21.30%010%0.104CC..EExtended strand (participates in β ladder)trans-147.8176.9171.8-168.40000109.7M83 F224 F248 L250 V251 M252M83-T163 WeakPolarHBondContact O-CB 3.29Å; M83-T163 PolarHBondContact O-OG1 2.97Å; T163-F224 HydrophobicContact CG2-CE1 4.14Å; T163-F224 HydrophobicContact CG2-CZ 3.79Å; T163-F248 HydrophobicContact CG2-CD1 3.77Å; T163-F248 HydrophobicContact CG2-CE1 4.15Å; T163-F248 HydrophobicContact CG2-CG 4.1Å; T163-L250 PolarHBondContact N-O 3.14Å; T163-L250 VanDerWaalsContact N-O 3.11Å; T163-V251 HydrophobicContact CG2-CB 4.15Å; T163-V251 HydrophobicContact CG2-CG1 3.84Å; T163-V251 HydrophobicContact CG2-CG2 3.78Å; T163-M252 WeakPolarHBondContact O-CB 3.29Å; T163-M252 PolarHBondContact O-N 2.97Å
164I98.6Very high95.6Very high0 Ų019.4 Ų19.40%010%0.098CC..EExtended strand (participates in β ladder)trans-137.8134.8177-174.5162.7000109.3F82 T85 T88 M252 V254 F257F82-I164 HydrophobicContact CE2-CB 4.44Å; F82-I164 HydrophobicContact CE2-CG2 3.87Å; F82-I164 HydrophobicContact CZ-CG2 3.76Å; T85-I164 PolarHBondContact OG1-O 2.87Å; T88-I164 WeakPolarHBondContact O-CD1 3.46Å; T88-I164 WeakPolarHBondContact OG1-CG2 3.17Å; I164-M252 CarbonylContact C-O 3.14Å; I164-M252 WeakPolarHBondContact CA-O 3.47Å; I164-M252 HydrophobicContact CB-CB 3.95Å; I164-M252 HydrophobicContact CB-CE 4.11Å; I164-M252 HydrophobicContact CD1-CB 4.15Å; I164-M252 HydrophobicContact CD1-CE 4.42Å; I164-M252 HydrophobicContact CG1-CB 3.86Å; I164-V254 HydrophobicContact CD1-CG2 3.77Å; I164-V254 HydrophobicContact CG1-CG2 3.9Å; I164-F257 HydrophobicContact CD1-CD2 3.69Å; I164-F257 HydrophobicContact CD1-CE2 3.74Å
165L98.6Very high95.6Very high0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans-112.9166.4173.8-51.6-178.6000109.8T85 L220 F224 V251 M252 L253 V254 L309 Y310 F313T85-L165 HydrophobicContact CG2-CD2 4.47Å; L165-L220 HydrophobicContact CB-CD1 4.27Å; L165-L220 HydrophobicContact CD2-CD1 4.13Å; L165-L220 HydrophobicContact CD2-CD2 4.16Å; L165-L220 HydrophobicContact CD2-CG 4.5Å; L165-F224 HydrophobicContact CD2-CE2 3.72Å; L165-F224 HydrophobicContact CD2-CZ 3.92Å; L165-V251 HydrophobicContact CD1-CG1 3.62Å; L165-V251 HydrophobicContact CD2-CG1 4.45Å; L165-V251 HydrophobicContact CG-CG1 3.57Å; L165-M252 PolarHBondContact N-O 2.83Å; L165-L253 HydrophobicContact CB-CD2 4.11Å; L165-L253 WeakPolarHBondContact O-CA 3.5Å; L165-V254 WeakPolarHBondContact O-CG2 3.06Å; L165-V254 PolarHBondContact O-N 3.27Å; L165-L309 HydrophobicContact CD1-CD2 4.41Å; L165-L309 HydrophobicContact CD1-CG 4.2Å; L165-Y310 HydrophobicContact CB-CD2 4.33Å; L165-F313 HydrophobicContact CD1-CB 3.86Å; L165-F313 HydrophobicContact CD1-CD2 3.63Å; L165-F313 HydrophobicContact CD1-CG 3.99Å
166R97.8Very high95.6Very high47 Ų4719.8 Ų19.818%0.17710%0.1CC..  trans-137.7153.5174.6-175.2175-179.3-167.5-10.3108K87 T88 P168 E170 L171 S174 V254 E255 Y310K87-R166 VanDerWaalsContact O-CD 3.29Å; K87-R166 WeakPolarHBondContact O-CD 3.28Å; K87-R166 PolarHBondContact O-NH1 3.19Å; T88-R166 HydrophobicContact CG2-CB 3.76Å; R166-P168 WeakPolarHBondContact O-CD 3.39Å; R166-E170 PolarHBondContact NH2-O 2.82Å; R166-L171 HydrophobicContact CB-CB 4.44Å; R166-L171 HydrophobicContact CB-CD1 4.44Å; R166-S174 PolarHBondContact NH1-OG 3.35Å; R166-V254 HydrophobicContact CB-CB 4.15Å; R166-V254 HydrophobicContact CB-CG2 3.93Å; R166-V254 HydrophobicContact CG-CB 4.05Å; R166-V254 HydrophobicContact CG-CG1 4.35Å; R166-V254 HydrophobicContact CG-CG2 4.24Å; R166-E255 VanDerWaalsContact CG-OE1 3.3Å; R166-E255 WeakPolarHBondContact CG-OE1 3.23Å; R166-Y310 VanDerWaalsContact C-CE2 3.45Å; R166-Y310 WeakPolarHBondContact O-CD2 3.49Å
167D97.8Very high95.5Very high11 Ų1123 Ų236%0.05911%0.114CC..  trans-47.1123.3170.4178.8-92.4000110.7A169 E170 L171 E255 R296 Y310D167-A169 VanDerWaalsContact C-N 3.3Å; D167-A169 PolarHBondContact O-N 3.43Å; D167-A169 PolarHBondContact OD1-N 3.13Å; D167-E170 HydrophobicContact CB-CB 4.19Å; D167-E170 HydrophobicContact CB-CG 4.19Å; D167-E170 PolarHBondContact O-N 3.26Å; D167-E170 PolarHBondContact OD1-N 3.33Å; D167-E170 VanDerWaalsContact OD1-N 3.16Å; D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.44Å; D167-L171 PolarHBondContact O-N 2.78Å; D167-E255 WeakPolarHBondContact CB-OE1 3.21Å; D167-E255 PolarHBondContact N-OE1 3.29Å; D167-R296 IonicContact OD1-CZ 3.71Å; D167-R296 IonicContact OD1-NH1 3.38Å; D167-R296 PolarHBondContact OD1-NH1 2.79Å; D167-R296 IonicContact OD1-NH2 3.28Å; D167-R296 PolarHBondContact OD1-NH2 2.79Å; D167-R296 IonicContact OD2-CZ 3.44Å; D167-R296 IonicContact OD2-NH1 3.53Å; D167-R296 IonicContact OD2-NH2 2.8Å; D167-R296 PolarHBondContact OD2-NH2 3.37Å; D167-Y310 HydrophobicContact CB-CE2 4.47Å; D167-Y310 VanDerWaalsContact N-CE2 3.29Å
168P98.2Very high95.6Very high1 Ų118.3 Ų18.31%0.0069%0.086CC..Hα-helixtrans-63.5-28.8-170.4-29.238.3000115.1R166 F172 L300 N303 D306 W307 Y310R166-P168 WeakPolarHBondContact O-CD 3.39Å; P168-F172 WeakPolarHBondContact O-CB 3.32Å; P168-F172 PolarHBondContact O-N 3.03Å; P168-L300 HydrophobicContact CB-CD2 4.14Å; P168-N303 HydrophobicContact CB-CB 4.29Å; P168-D306 HydrophobicContact CB-CB 3.88Å; P168-D306 VanDerWaalsContact CG-C 3.46Å; P168-D306 HydrophobicContact CG-CB 3.85Å; P168-D306 WeakPolarHBondContact CG-O 3.35Å; P168-W307 HydrophobicContact CG-CB 4.47Å; P168-W307 HydrophobicContact CG-CE3 4.33Å; P168-Y310 HydrophobicContact CG-CG 4.49Å
169A97.5Very high95.8Very high0 Ų015 Ų150%07%0.068CC..Hα-helixtrans-72.5-44.8175.700000111.4D167 L171 F172 E173 L291 R296 A299 L300D167-A169 VanDerWaalsContact C-N 3.3Å; D167-A169 PolarHBondContact O-N 3.43Å; D167-A169 PolarHBondContact OD1-N 3.13Å; A169-L171 VanDerWaalsContact C-N 3.29Å; A169-L171 PolarHBondContact O-N 3.34Å; A169-F172 PolarHBondContact O-N 3.21Å; A169-E173 PolarHBondContact O-N 2.84Å; A169-L291 HydrophobicContact CB-CD1 4.07Å; A169-R296 HydrophobicContact CB-CG 3.84Å; A169-A299 HydrophobicContact CB-CB 3.85Å; A169-L300 HydrophobicContact CB-CD2 3.83Å; A169-L300 HydrophobicContact CB-CG 3.98Å
170E95.6Very high95.5Very high37 Ų3715.3 Ų15.317%0.1737%0.07CC..Hα-helixtrans-66.7-32.9174.7-65-59.9138.900112.4R166 D167 S174 S289 R296R166-E170 PolarHBondContact NH2-O 2.82Å; D167-E170 HydrophobicContact CB-CB 4.19Å; D167-E170 HydrophobicContact CB-CG 4.19Å; D167-E170 PolarHBondContact O-N 3.26Å; D167-E170 PolarHBondContact OD1-N 3.33Å; D167-E170 VanDerWaalsContact OD1-N 3.16Å; E170-S174 VanDerWaalsContact O-CB 3.28Å; E170-S174 WeakPolarHBondContact O-CB 3.25Å; E170-S174 PolarHBondContact O-N 2.81Å; E170-S289 WeakPolarHBondContact OE1-CB 3.4Å; E170-S289 PolarHBondContact OE1-OG 2.9Å; E170-S289 PolarHBondContact OE2-OG 3.29Å; E170-R296 IonicContact OE1-NH1 2.67Å
171L95.9Very high95.1Very high3 Ų321.2 Ų21.22%0.0169%0.092CC..Hα-helixtrans-63.6-50.5171.7178.575.2000110.5H86 K87 T88 R166 D167 A169 S174 S175 L220H86-L171 WeakPolarHBondContact O-CD1 3.31Å; K87-L171 HydrophobicContact CB-CD1 3.74Å; T88-L171 HydrophobicContact CG2-CD1 4.03Å; R166-L171 HydrophobicContact CB-CB 4.44Å; R166-L171 HydrophobicContact CB-CD1 4.44Å; D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.44Å; D167-L171 PolarHBondContact O-N 2.78Å; A169-L171 VanDerWaalsContact C-N 3.29Å; A169-L171 PolarHBondContact O-N 3.34Å; L171-S174 CarbonylContact O-C 3.18Å; L171-S174 PolarHBondContact O-N 3.22Å; L171-S175 WeakPolarHBondContact O-CB 3.44Å; L171-S175 PolarHBondContact O-N 3.31Å; L171-S175 PolarHBondContact O-OG 3.17Å; L171-L220 HydrophobicContact CD2-CD1 3.88Å; L171-L220 HydrophobicContact CD2-CD2 3.78Å; L171-L220 HydrophobicContact CD2-CG 3.46Å; L171-L220 VanDerWaalsContact CD2-CG 3.46Å
172F97.1Very high94.7Very high4 Ų422.3 Ų22.32%0.01810%0.101CC..Hα-helixtrans-63-44.1-177.5-176.1-110000112P168 A169 S174 S175 F176 L195 F198 L199 L216 A299 N303P168-F172 WeakPolarHBondContact O-CB 3.32Å; P168-F172 PolarHBondContact O-N 3.03Å; A169-F172 PolarHBondContact O-N 3.21Å; F172-S174 VanDerWaalsContact C-N 3.29Å; F172-S174 PolarHBondContact O-N 2.81Å; F172-S175 WeakPolarHBondContact CA-OG 3.05Å; F172-S175 PolarHBondContact O-N 2.89Å; F172-S175 PolarHBondContact O-OG 3.45Å; F172-S175 VanDerWaalsContact O-OG 3.04Å; F172-F176 HydrophobicContact CE1-CD2 4.35Å; F172-F176 HydrophobicContact CE2-CD2 4.39Å; F172-F176 AromaticContact CZ-CD2 3.81Å; F172-F176 HydrophobicContact CZ-CD2 3.81Å; F172-F176 WeakPolarHBondContact O-CB 3.17Å; F172-F176 PolarHBondContact O-N 3.06Å; F172-L195 HydrophobicContact CD1-CD1 3.93Å; F172-L195 HydrophobicContact CE1-CD1 3.53Å; F172-L195 HydrophobicContact CZ-CD1 4.4Å; F172-F198 AromaticContact CE1-CD1 3.99Å; F172-F198 HydrophobicContact CE1-CD1 3.99Å; F172-F198 HydrophobicContact CE1-CE1 4.16Å; F172-F198 HydrophobicContact CE2-CE1 4.32Å; F172-F198 AromaticContact CZ-CD1 3.6Å; F172-F198 HydrophobicContact CZ-CD1 3.6Å; F172-F198 AromaticContact CZ-CE1 3.44Å; F172-F198 HydrophobicContact CZ-CE1 3.44Å; F172-F198 VanDerWaalsContact CZ-CE1 3.44Å; F172-F198 HydrophobicContact CZ-CZ 4.28Å; F172-L199 HydrophobicContact CD1-CD2 4Å; F172-L199 HydrophobicContact CE1-CD1 4.5Å; F172-L199 HydrophobicContact CE1-CD2 3.55Å; F172-L199 HydrophobicContact CE1-CG 4.04Å; F172-L216 WeakPolarHBondContact CE2-O 3.11Å; F172-A299 HydrophobicContact CD1-CB 4.16Å; F172-N303 WeakPolarHBondContact CG-ND2 3.27Å
173E94.9Very high94.4Very high1 Ų122.2 Ų22.21%0.00510%0.101CC..Hα-helixtrans-54.6-48.9172.4-175.3-81.2159.800111A169 H177 L195 R283 L291A169-E173 PolarHBondContact O-N 2.84Å; E173-H177 PolarHBondContact O-CD2 2.95Å; E173-H177 PolarHBondContact O-N 3.41Å; E173-H177 VanDerWaalsContact O-N 3.14Å; E173-H177 IonicContact OE1-CD2 2.61Å; E173-H177 PolarHBondContact OE1-CD2 3.34Å; E173-H177 IonicContact OE1-NE2 3.26Å; E173-H177 PolarHBondContact OE1-NE2 3.24Å; E173-L195 HydrophobicContact CB-CD2 4.09Å; E173-L195 HydrophobicContact CG-CD2 3.74Å; E173-R283 IonicContact OE1-CZ 2.66Å; E173-R283 IonicContact OE1-NH1 3.38Å; E173-R283 PolarHBondContact OE1-NH1 3.31Å; E173-R283 IonicContact OE1-NH2 3.09Å; E173-R283 PolarHBondContact OE1-NH2 2.9Å; E173-R283 IonicContact OE2-CZ 3.59Å; E173-R283 IonicContact OE2-NH1 2.71Å; E173-R283 PolarHBondContact OE2-NH1 3.19Å; E173-R283 IonicContact OE2-NH2 2.88Å; E173-R283 PolarHBondContact OE2-NH2 3.24Å; E173-L291 HydrophobicContact CB-CD1 4.07Å; E173-L291 HydrophobicContact CB-CD2 4.46Å; E173-L291 HydrophobicContact CB-CG 4.26Å; E173-L291 HydrophobicContact CG-CD2 4.37Å; E173-L291 HydrophobicContact CG-CG 4.21Å
174S92.8Very high94.2Very high16 Ų1624.2 Ų24.211%0.11211%0.114CC..Hα-helixtrans-70.1-33.6-178.3168.50000113K87 R166 E170 L171 F172 Y178K87-S174 WeakPolarHBondContact CE-OG 3.28Å; R166-S174 PolarHBondContact NH1-OG 3.35Å; E170-S174 VanDerWaalsContact O-CB 3.28Å; E170-S174 WeakPolarHBondContact O-CB 3.25Å; E170-S174 PolarHBondContact O-N 2.81Å; L171-S174 CarbonylContact O-C 3.18Å; L171-S174 PolarHBondContact O-N 3.22Å; F172-S174 VanDerWaalsContact C-N 3.29Å; F172-S174 PolarHBondContact O-N 2.81Å; S174-Y178 VanDerWaalsContact O-CB 3.25Å; S174-Y178 WeakPolarHBondContact O-CB 3.46Å; S174-Y178 PolarHBondContact O-N 3.46Å
175S93.2Very high93.8Very high2 Ų227.4 Ų27.41%0.01413%0.128CC..Hα-helixtrans-75-44.8177.668.70000110.7L171 F172 H177 Y178 F179L171-S175 WeakPolarHBondContact O-CB 3.44Å; L171-S175 PolarHBondContact O-N 3.31Å; L171-S175 PolarHBondContact O-OG 3.17Å; F172-S175 WeakPolarHBondContact CA-OG 3.05Å; F172-S175 PolarHBondContact O-N 2.89Å; F172-S175 PolarHBondContact O-OG 3.45Å; F172-S175 VanDerWaalsContact O-OG 3.04Å; S175-H177 PolarHBondContact O-N 3.29Å; S175-Y178 PolarHBondContact O-N 2.9Å; S175-Y178 VanDerWaalsContact O-N 3.12Å; S175-F179 WeakPolarHBondContact O-CB 3.46Å; S175-F179 WeakPolarHBondContact O-CD2 3.2Å; S175-F179 PolarHBondContact O-N 2.89Å
176F93.8Very high93.5Very high11 Ų1127.7 Ų27.75%0.04813%0.129CC..Hα-helixtrans-58.7-47.4178.8-167.7-83.9000111.3F172 Y178 G180 T186 I189 K194 L195 F198 L216F172-F176 HydrophobicContact CE1-CD2 4.35Å; F172-F176 HydrophobicContact CE2-CD2 4.39Å; F172-F176 AromaticContact CZ-CD2 3.81Å; F172-F176 HydrophobicContact CZ-CD2 3.81Å; F172-F176 WeakPolarHBondContact O-CB 3.17Å; F172-F176 PolarHBondContact O-N 3.06Å; F176-Y178 VanDerWaalsContact C-N 3.35Å; F176-Y178 PolarHBondContact O-N 2.63Å; F176-G180 WeakPolarHBondContact O-CA 3.49Å; F176-G180 PolarHBondContact O-N 2.67Å; F176-T186 HydrophobicContact CE2-CG2 4Å; F176-T186 HydrophobicContact CZ-CG2 4.13Å; F176-I189 HydrophobicContact CE2-CD1 4.31Å; F176-I189 HydrophobicContact CZ-CD1 3.75Å; F176-K194 HydrophobicContact CE1-CB 3.91Å; F176-K194 HydrophobicContact CZ-CB 4.2Å; F176-K194 WeakPolarHBondContact CZ-O 3.44Å; F176-L195 HydrophobicContact CB-CD1 3.91Å; F176-L195 HydrophobicContact CD1-CB 3.89Å; F176-L195 HydrophobicContact CD1-CD1 3.98Å; F176-L195 HydrophobicContact CD1-CG 4.49Å; F176-L195 HydrophobicContact CD2-CD1 4.08Å; F176-L195 HydrophobicContact CE1-CB 3.99Å; F176-L195 HydrophobicContact CG-CD1 3.73Å; F176-F198 HydrophobicContact CD2-CG 4.47Å; F176-F198 HydrophobicContact CE2-CB 3.73Å; F176-F198 HydrophobicContact CE2-CD1 4.24Å; F176-F198 AromaticContact CE2-CD2 3.79Å; F176-F198 HydrophobicContact CE2-CD2 3.79Å; F176-F198 HydrophobicContact CE2-CE2 4.49Å; F176-F198 AromaticContact CE2-CG 3.63Å; F176-F198 HydrophobicContact CE2-CG 3.63Å; F176-F198 HydrophobicContact CZ-CB 3.89Å; F176-F198 HydrophobicContact CZ-CD2 4.48Å; F176-F198 HydrophobicContact CZ-CG 4.29Å; F176-L216 HydrophobicContact CD2-CD2 3.88Å; F176-L216 HydrophobicContact CE2-CD2 4.23Å
177H90.4Very high93.2Very high71 Ų7132.2 Ų32.233%0.32915%0.147SC..Hα-helixtrans-63.5-38.3175.6-81.7-64000113.3E173 S175 R283E173-H177 PolarHBondContact O-CD2 2.95Å; E173-H177 PolarHBondContact O-N 3.41Å; E173-H177 VanDerWaalsContact O-N 3.14Å; E173-H177 IonicContact OE1-CD2 2.61Å; E173-H177 PolarHBondContact OE1-CD2 3.34Å; E173-H177 IonicContact OE1-NE2 3.26Å; E173-H177 PolarHBondContact OE1-NE2 3.24Å; S175-H177 PolarHBondContact O-N 3.29Å; H177-R283 PolarHBondContact CD2-NH1 3.06Å; H177-R283 VanDerWaalsContact CD2-NH1 3.28Å
178Y89Confident92.8Very high65 Ų6536.8 Ų36.826%0.25518%0.175SC..Hα-helixtrans-79.3-38.6-175.6-173.7-93.7000112.9K87 S174 S175 F176 P369K87-Y178 HydrophobicContact CD-CD1 4.21Å; K87-Y178 HydrophobicContact CD-CG 4.19Å; S174-Y178 VanDerWaalsContact O-CB 3.25Å; S174-Y178 WeakPolarHBondContact O-CB 3.46Å; S174-Y178 PolarHBondContact O-N 3.46Å; S175-Y178 PolarHBondContact O-N 2.9Å; S175-Y178 VanDerWaalsContact O-N 3.12Å; F176-Y178 VanDerWaalsContact C-N 3.35Å; F176-Y178 PolarHBondContact O-N 2.63Å; Y178-P369 HydrophobicContact CD2-CB 3.97Å; Y178-P369 HydrophobicContact CD2-CG 4.35Å; Y178-P369 HydrophobicContact CE2-CB 4.13Å
179F91.7Very high92.6Very high16 Ų1637 Ų377%0.0718%0.176CC..Hα-helixtrans-104.9-15-172.4-63.4-67.3000114.1H86 K87 S175 R181 V182 V183 Y215H86-F179 AromaticContact CD2-CZ 3.81Å; K87-F179 HydrophobicContact CD-CE2 3.98Å; K87-F179 HydrophobicContact CD-CZ 4.44Å; K87-F179 HydrophobicContact CG-CE2 4.01Å; S175-F179 WeakPolarHBondContact O-CB 3.46Å; S175-F179 WeakPolarHBondContact O-CD2 3.2Å; S175-F179 PolarHBondContact O-N 2.89Å; F179-R181 VanDerWaalsContact C-N 3.27Å; F179-R181 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact O-N 3.1Å; F179-V182 HydrophobicContact CB-CG2 4.2Å; F179-V182 HydrophobicContact CD1-CG2 4.22Å; F179-V182 WeakPolarHBondContact O-CA 3.31Å; F179-V182 WeakPolarHBondContact O-CG2 3.45Å; F179-V182 PolarHBondContact O-N 3.35Å; F179-V183 HydrophobicContact CB-CG2 4.5Å; F179-V183 WeakPolarHBondContact O-CG2 3.48Å; F179-V183 PolarHBondContact O-N 3.4Å; F179-Y215 HydrophobicContact CB-CD2 3.93Å; F179-Y215 HydrophobicContact CB-CG 3.94Å; F179-Y215 HydrophobicContact CD1-CD1 4.13Å; F179-Y215 AromaticContact CD1-CD2 3.98Å; F179-Y215 HydrophobicContact CD1-CD2 3.98Å; F179-Y215 AromaticContact CD1-CE1 3.91Å; F179-Y215 HydrophobicContact CD1-CE1 3.91Å; F179-Y215 AromaticContact CD1-CE2 3.75Å; F179-Y215 HydrophobicContact CD1-CE2 3.75Å; F179-Y215 HydrophobicContact CD1-CG 4.18Å; F179-Y215 AromaticContact CD1-CZ 3.7Å; F179-Y215 AromaticContact CD2-CD1 3.62Å; F179-Y215 HydrophobicContact CD2-CD1 3.62Å; F179-Y215 HydrophobicContact CD2-CD2 4.48Å; F179-Y215 HydrophobicContact CD2-CE1 4.03Å; F179-Y215 AromaticContact CD2-CG 3.88Å; F179-Y215 HydrophobicContact CD2-CG 3.88Å; F179-Y215 HydrophobicContact CE1-CD1 4.2Å; F179-Y215 AromaticContact CE1-CE1 3.62Å; F179-Y215 HydrophobicContact CE1-CE1 3.62Å; F179-Y215 HydrophobicContact CE1-CE2 4.1Å; F179-Y215 AromaticContact CE1-CZ 3.55Å; F179-Y215 AromaticContact CE2-CD1 3.7Å; F179-Y215 HydrophobicContact CE2-CD1 3.7Å; F179-Y215 AromaticContact CE2-CE1 3.76Å; F179-Y215 HydrophobicContact CE2-CE1 3.76Å; F179-Y215 HydrophobicContact CE2-CG 4.41Å; F179-Y215 AromaticContact CG-CD1 3.86Å; F179-Y215 HydrophobicContact CG-CD1 3.86Å; F179-Y215 AromaticContact CG-CD2 3.91Å; F179-Y215 HydrophobicContact CG-CD2 3.91Å; F179-Y215 HydrophobicContact CG-CE1 4.11Å; F179-Y215 HydrophobicContact CG-CE2 4.16Å; F179-Y215 AromaticContact CG-CG 3.75Å; F179-Y215 HydrophobicContact CG-CG 3.75Å; F179-Y215 AromaticContact CZ-CD1 3.99Å; F179-Y215 HydrophobicContact CZ-CD1 3.99Å; F179-Y215 AromaticContact CZ-CE1 3.54Å; F179-Y215 HydrophobicContact CZ-CE1 3.54Å; F179-Y215 AromaticContact CZ-CZ 3.99Å
180G90.5Very high92.4Very high6 Ų640.1 Ų40.16%0.06220%0.197CC..G310 helixtrans-50.4-45-174.800000113.1F176 V182 V183 T186 W187F176-G180 WeakPolarHBondContact O-CA 3.49Å; F176-G180 PolarHBondContact O-N 2.67Å; G180-V182 PolarHBondContact O-N 2.61Å; G180-V183 CarbonylContact O-C 3.58Å; G180-V183 PolarHBondContact O-N 3.32Å; G180-V183 VanDerWaalsContact O-O 3.04Å; G180-T186 WeakPolarHBondContact CA-OG1 3.43Å; G180-T186 PolarHBondContact O-OG1 3.38Å; G180-W187 PolarHBondContact O-NE1 3.38Å
181R88.3Confident92.1Very high128 Ų12841 Ų4148%0.48322%0.215SC..G310 helixtrans-62.1-16.8177.7-71-160.5177.9111.4-12.3115.6F179 W187 I370 G371F179-R181 VanDerWaalsContact C-N 3.27Å; F179-R181 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact O-N 3.1Å; R181-W187 VanDerWaalsContact O-CZ2 3.29Å; R181-W187 WeakPolarHBondContact O-CZ2 3.45Å; R181-W187 PolarHBondContact O-NE1 3.03Å; R181-W187 VanDerWaalsContact O-NE1 3.09Å; R181-I370 HydrophobicContact CB-CB 4.48Å; R181-I370 WeakPolarHBondContact CD-O 3.44Å; R181-I370 PolarHBondContact NH1-O 2.89Å; R181-G371 VanDerWaalsContact CZ-O 3.31Å; R181-G371 PolarHBondContact NH1-O 2.9Å; R181-G371 PolarHBondContact NH2-O 3.45Å
182V89.6Confident91.6Very high47 Ų4749.3 Ų49.329%0.28526%0.26SS..G310 helixtrans-104.45.4173.6-58.50000113.3F179 G180 N212 I370F179-V182 HydrophobicContact CB-CG2 4.2Å; F179-V182 HydrophobicContact CD1-CG2 4.22Å; F179-V182 WeakPolarHBondContact O-CA 3.31Å; F179-V182 WeakPolarHBondContact O-CG2 3.45Å; F179-V182 PolarHBondContact O-N 3.35Å; G180-V182 PolarHBondContact O-N 2.61Å; V182-N212 PolarHBondContact O-ND2 3.19Å; V182-I370 HydrophobicContact CG1-CD1 3.7Å
183V93.4Very high91.3Very high0 Ų053.1 Ų53.10%028%0.281CS..  trans-114101.9174.2-173.30000108.8F179 G180 F185 T186 N212 Y215 L216F179-V183 HydrophobicContact CB-CG2 4.5Å; F179-V183 WeakPolarHBondContact O-CG2 3.48Å; F179-V183 PolarHBondContact O-N 3.4Å; G180-V183 CarbonylContact O-C 3.58Å; G180-V183 PolarHBondContact O-N 3.32Å; G180-V183 VanDerWaalsContact O-O 3.04Å; V183-F185 HydrophobicContact CG1-CB 4.49Å; V183-F185 PolarHBondContact O-N 2.72Å; V183-F185 VanDerWaalsContact O-N 3.11Å; V183-T186 HydrophobicContact CB-CG2 4.07Å; V183-T186 HydrophobicContact CG1-CG2 4.24Å; V183-T186 PolarHBondContact O-N 3.23Å; V183-T186 PolarHBondContact O-OG1 2.93Å; V183-N212 HydrophobicContact CG2-CB 3.92Å; V183-N212 WeakPolarHBondContact CG2-O 3.44Å; V183-Y215 HydrophobicContact CG2-CD2 4.17Å; V183-L216 HydrophobicContact CG1-CD1 3.58Å; V183-L216 HydrophobicContact CG1-CG 3.98Å
184P92.9Very high91.2Very high43 Ų4356.1 Ų56.128%0.27929%0.294SS..G310 helixtrans-53.7-34.2-173-30.437.3000115T186 W187 F211P184-T186 PolarHBondContact O-N 3.29Å; P184-T186 VanDerWaalsContact O-N 3.14Å; P184-W187 HydrophobicContact CB-CD2 4.39Å; P184-W187 HydrophobicContact CB-CE3 4.25Å; P184-W187 HydrophobicContact CB-CH2 4.43Å; P184-W187 HydrophobicContact CB-CZ3 4.27Å; P184-W187 HydrophobicContact CG-CH2 4.18Å; P184-W187 HydrophobicContact CG-CZ2 4.27Å; P184-W187 HydrophobicContact CG-CZ3 4.46Å; P184-W187 VanDerWaalsContact O-CB 3.29Å; P184-W187 WeakPolarHBondContact O-CB 3.29Å; P184-W187 PolarHBondContact O-N 2.69Å; P184-F211 WeakPolarHBondContact CD-O 3.37Å; P184-F211 HydrophobicContact CG-CB 4.42Å; P184-F211 HydrophobicContact CG-CD1 4.19Å
185F90.4Very high91.3Very high66 Ų6655.7 Ų55.729%0.28929%0.29SS..G310 helixtrans-60.3-23177.7-78.6-79.7000114.1V183 W187 T188 Y205 D207 G210V183-F185 HydrophobicContact CG1-CB 4.49Å; V183-F185 PolarHBondContact O-N 2.72Å; V183-F185 VanDerWaalsContact O-N 3.11Å; F185-W187 VanDerWaalsContact C-N 3.32Å; F185-T188 PolarHBondContact O-OG1 3.28Å; F185-Y205 WeakPolarHBondContact CB-O 3.2Å; F185-D207 HydrophobicContact CE1-CB 3.82Å; F185-D207 HydrophobicContact CE2-CB 3.78Å; F185-D207 HydrophobicContact CZ-CB 3.36Å; F185-G210 VanDerWaalsContact CE2-CA 3.44Å
186T92Very high91.4Very high6 Ų656.9 Ų56.94%0.03730%0.297CS..G310 helixtrans-81.9-12.8176.4730000113.1F176 G180 V183 P184 I189 K194 L216F176-T186 HydrophobicContact CE2-CG2 4Å; F176-T186 HydrophobicContact CZ-CG2 4.13Å; G180-T186 WeakPolarHBondContact CA-OG1 3.43Å; G180-T186 PolarHBondContact O-OG1 3.38Å; V183-T186 HydrophobicContact CB-CG2 4.07Å; V183-T186 HydrophobicContact CG1-CG2 4.24Å; V183-T186 PolarHBondContact O-N 3.23Å; V183-T186 PolarHBondContact O-OG1 2.93Å; P184-T186 PolarHBondContact O-N 3.29Å; P184-T186 VanDerWaalsContact O-N 3.14Å; T186-I189 HydrophobicContact CG2-CD1 4.36Å; T186-K194 PolarHBondContact O-NZ 3.35Å; T186-L216 HydrophobicContact CG2-CD1 3.95Å; T186-L216 HydrophobicContact CG2-CD2 3.98Å
187W92.1Very high91.5Very high142 Ų14259.9 Ų59.954%0.53831%0.311SS..THydrogen-bonded Turntrans-74.4-33.2-175.1-58-6.3000111.7G180 R181 P184 F185 I189 K194G180-W187 PolarHBondContact O-NE1 3.38Å; R181-W187 VanDerWaalsContact O-CZ2 3.29Å; R181-W187 WeakPolarHBondContact O-CZ2 3.45Å; R181-W187 PolarHBondContact O-NE1 3.03Å; R181-W187 VanDerWaalsContact O-NE1 3.09Å; P184-W187 HydrophobicContact CB-CD2 4.39Å; P184-W187 HydrophobicContact CB-CE3 4.25Å; P184-W187 HydrophobicContact CB-CH2 4.43Å; P184-W187 HydrophobicContact CB-CZ3 4.27Å; P184-W187 HydrophobicContact CG-CH2 4.18Å; P184-W187 HydrophobicContact CG-CZ2 4.27Å; P184-W187 HydrophobicContact CG-CZ3 4.46Å; P184-W187 VanDerWaalsContact O-CB 3.29Å; P184-W187 WeakPolarHBondContact O-CB 3.29Å; P184-W187 PolarHBondContact O-N 2.69Å; F185-W187 VanDerWaalsContact C-N 3.32Å; W187-I189 VanDerWaalsContact C-N 3.33Å; W187-K194 PolarHBondContact O-NZ 3Å
188T89.8Confident91.8Very high108 Ų10856.5 Ų56.566%0.66330%0.296SS*.SBendtrans-80.1-12.6179.452.60000113.6F185F185-T188 PolarHBondContact O-OG1 3.28Å
189I94.5Very high92.2Very high4 Ų453.6 Ų53.62%0.02128%0.284CS..  trans-61.1124.1176.1-57.5172.8000108.8F176 T186 W187 K194 E197 F198 Y205F176-I189 HydrophobicContact CE2-CD1 4.31Å; F176-I189 HydrophobicContact CZ-CD1 3.75Å; T186-I189 HydrophobicContact CG2-CD1 4.36Å; W187-I189 VanDerWaalsContact C-N 3.33Å; I189-K194 HydrophobicContact CB-CB 4.21Å; I189-K194 HydrophobicContact CB-CD 4.3Å; I189-K194 HydrophobicContact CB-CG 4.13Å; I189-K194 HydrophobicContact CD1-CB 4.49Å; I189-K194 HydrophobicContact CG2-CB 3.88Å; I189-K194 HydrophobicContact CG2-CG 4.02Å; I189-K194 WeakPolarHBondContact O-CE 3.39Å; I189-K194 PolarHBondContact O-NZ 3.42Å; I189-E197 HydrophobicContact CG2-CB 3.48Å; I189-E197 VanDerWaalsContact CG2-CB 3.48Å; I189-E197 HydrophobicContact CG2-CG 4.35Å; I189-F198 HydrophobicContact CD1-CB 4.04Å; I189-F198 HydrophobicContact CD1-CD2 3.95Å; I189-F198 HydrophobicContact CD1-CG 4.49Å; I189-Y205 HydrophobicContact CB-CE1 4.45Å; I189-Y205 HydrophobicContact CD1-CG 4.24Å; I189-Y205 HydrophobicContact CG1-CD1 3.58Å; I189-Y205 HydrophobicContact CG1-CD2 4.28Å; I189-Y205 HydrophobicContact CG1-CE1 3.96Å; I189-Y205 HydrophobicContact CG1-CG 3.76Å
190P92.5Very high92.4Very high67 Ų6756.5 Ų56.544%0.43530%0.3SS..  trans-71.5163.3-178.730.8-35.3000111.8Y205P190-Y205 WeakPolarHBondContact CD-OH 3.04Å
191G88.6Confident92.7Very high55 Ų5559.6 Ų59.657%0.56732%0.315SS*.SBendtrans75.5174.5174.300000115.3
192D85.8Confident93Very high177 Ų17754.4 Ų54.495%0.94730%0.298SS*.SBendtrans-82.3-34.2179-67.7-32.3000111.7K194D192-K194 PolarHBondContact O-N 3.04Å
193D90.9Very high93.3Very high85 Ų8559.1 Ų59.146%0.45532%0.317SS..  trans-92.568.9178.1-168.50.3000112.1L195 T196 E197D193-L195 PolarHBondContact O-N 2.99Å; D193-T196 VanDerWaalsContact CG-CB 3.47Å; D193-T196 PolarHBondContact O-N 3.25Å; D193-T196 PolarHBondContact OD1-N 3.4Å; D193-T196 PolarHBondContact OD1-OG1 3.43Å; D193-T196 VanDerWaalsContact OD2-CB 3.29Å; D193-T196 WeakPolarHBondContact OD2-CB 3.49Å; D193-T196 PolarHBondContact OD2-OG1 2.71Å; D193-E197 PolarHBondContact O-N 3.3Å
194K93.8Very high93.3Very high64 Ų6462.7 Ų62.728%0.27834%0.342SS..Hα-helixtrans-62.4-26.5-177.8-65.1-173.2166.4-144.10114.2F176 T186 W187 I189 D192 F198F176-K194 HydrophobicContact CE1-CB 3.91Å; F176-K194 HydrophobicContact CZ-CB 4.2Å; F176-K194 WeakPolarHBondContact CZ-O 3.44Å; T186-K194 PolarHBondContact O-NZ 3.35Å; W187-K194 PolarHBondContact O-NZ 3Å; I189-K194 HydrophobicContact CB-CB 4.21Å; I189-K194 HydrophobicContact CB-CD 4.3Å; I189-K194 HydrophobicContact CB-CG 4.13Å; I189-K194 HydrophobicContact CD1-CB 4.49Å; I189-K194 HydrophobicContact CG2-CB 3.88Å; I189-K194 HydrophobicContact CG2-CG 4.02Å; I189-K194 WeakPolarHBondContact O-CE 3.39Å; I189-K194 PolarHBondContact O-NZ 3.42Å; D192-K194 PolarHBondContact O-N 3.04Å; K194-F198 VanDerWaalsContact O-CB 3.29Å; K194-F198 WeakPolarHBondContact O-CB 3.19Å; K194-F198 PolarHBondContact O-N 3.15Å
195L94.3Very high93.4Very high7 Ų762.7 Ų62.74%0.03734%0.337CS..Hα-helixtrans-69.8-45.1178.8174.861.8000110.2F172 E173 F176 D193 F198 L199 L291F172-L195 HydrophobicContact CD1-CD1 3.93Å; F172-L195 HydrophobicContact CE1-CD1 3.53Å; F172-L195 HydrophobicContact CZ-CD1 4.4Å; E173-L195 HydrophobicContact CB-CD2 4.09Å; E173-L195 HydrophobicContact CG-CD2 3.74Å; F176-L195 HydrophobicContact CB-CD1 3.91Å; F176-L195 HydrophobicContact CD1-CB 3.89Å; F176-L195 HydrophobicContact CD1-CD1 3.98Å; F176-L195 HydrophobicContact CD1-CG 4.49Å; F176-L195 HydrophobicContact CD2-CD1 4.08Å; F176-L195 HydrophobicContact CE1-CB 3.99Å; F176-L195 HydrophobicContact CG-CD1 3.73Å; D193-L195 PolarHBondContact O-N 2.99Å; L195-F198 PolarHBondContact O-N 3.3Å; L195-L199 HydrophobicContact CD1-CD1 3.96Å; L195-L199 HydrophobicContact CD1-CG 4.2Å; L195-L199 HydrophobicContact CG-CD1 4.09Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 2.92Å; L195-L291 HydrophobicContact CD2-CD2 3.91Å
196T95.4Very high93.7Very high27 Ų2760.9 Ų60.917%0.16633%0.329CS..Hα-helixtrans-59.7-50.7175.4-68.90000111D193 F198 L199 L200 L295D193-T196 VanDerWaalsContact CG-CB 3.47Å; D193-T196 PolarHBondContact O-N 3.25Å; D193-T196 PolarHBondContact OD1-N 3.4Å; D193-T196 PolarHBondContact OD1-OG1 3.43Å; D193-T196 VanDerWaalsContact OD2-CB 3.29Å; D193-T196 WeakPolarHBondContact OD2-CB 3.49Å; D193-T196 PolarHBondContact OD2-OG1 2.71Å; T196-F198 VanDerWaalsContact C-N 3.31Å; T196-F198 PolarHBondContact O-N 2.94Å; T196-L199 PolarHBondContact O-N 3.12Å; T196-L199 VanDerWaalsContact O-N 3.1Å; T196-L200 HydrophobicContact CG2-CD1 4.15Å; T196-L200 HydrophobicContact CG2-CG 4.5Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.47Å; T196-L295 HydrophobicContact CG2-CD1 4.34Å; T196-L295 HydrophobicContact CG2-CD2 4.08Å; T196-L295 VanDerWaalsContact OG1-CD1 3.25Å; T196-L295 WeakPolarHBondContact OG1-CD1 3.29Å
197E96.4Very high93.8Very high73 Ų7363.7 Ų63.734%0.34134%0.344SS..Hα-helixtrans-59.3-40.1178-66.9-60.3144.200112.5I189 D193 L200 D201I189-E197 HydrophobicContact CG2-CB 3.48Å; I189-E197 VanDerWaalsContact CG2-CB 3.48Å; I189-E197 HydrophobicContact CG2-CG 4.35Å; D193-E197 PolarHBondContact O-N 3.3Å; E197-L200 PolarHBondContact O-N 2.96Å; E197-D201 PolarHBondContact O-N 3.43Å
198F97Very high93.9Very high0 Ų059.8 Ų59.80%034%0.337CS..Hα-helixtrans-60.7-47.3173.4-176.1-85.5000111.9F172 F176 I189 K194 L195 T196 L200 D201 P202 Y205 F206 L216 W302F172-F198 AromaticContact CE1-CD1 3.99Å; F172-F198 HydrophobicContact CE1-CD1 3.99Å; F172-F198 HydrophobicContact CE1-CE1 4.16Å; F172-F198 HydrophobicContact CE2-CE1 4.32Å; F172-F198 AromaticContact CZ-CD1 3.6Å; F172-F198 HydrophobicContact CZ-CD1 3.6Å; F172-F198 AromaticContact CZ-CE1 3.44Å; F172-F198 HydrophobicContact CZ-CE1 3.44Å; F172-F198 VanDerWaalsContact CZ-CE1 3.44Å; F172-F198 HydrophobicContact CZ-CZ 4.28Å; F176-F198 HydrophobicContact CD2-CG 4.47Å; F176-F198 HydrophobicContact CE2-CB 3.73Å; F176-F198 HydrophobicContact CE2-CD1 4.24Å; F176-F198 AromaticContact CE2-CD2 3.79Å; F176-F198 HydrophobicContact CE2-CD2 3.79Å; F176-F198 HydrophobicContact CE2-CE2 4.49Å; F176-F198 AromaticContact CE2-CG 3.63Å; F176-F198 HydrophobicContact CE2-CG 3.63Å; F176-F198 HydrophobicContact CZ-CB 3.89Å; F176-F198 HydrophobicContact CZ-CD2 4.48Å; F176-F198 HydrophobicContact CZ-CG 4.29Å; I189-F198 HydrophobicContact CD1-CB 4.04Å; I189-F198 HydrophobicContact CD1-CD2 3.95Å; I189-F198 HydrophobicContact CD1-CG 4.49Å; K194-F198 VanDerWaalsContact O-CB 3.29Å; K194-F198 WeakPolarHBondContact O-CB 3.19Å; K194-F198 PolarHBondContact O-N 3.15Å; L195-F198 PolarHBondContact O-N 3.3Å; T196-F198 VanDerWaalsContact C-N 3.31Å; T196-F198 PolarHBondContact O-N 2.94Å; F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 3.18Å; F198-D201 CarbonylContact O-C 3.6Å; F198-D201 VanDerWaalsContact O-C 3.22Å; F198-D201 PolarHBondContact O-N 2.99Å; F198-P202 HydrophobicContact CD1-CB 4.06Å; F198-P202 HydrophobicContact CE1-CB 3.58Å; F198-P202 HydrophobicContact CZ-CB 3.91Å; F198-P202 WeakPolarHBondContact O-CA 3.41Å; F198-P202 WeakPolarHBondContact O-CB 3.19Å; F198-P202 WeakPolarHBondContact O-CD 3.32Å; F198-Y205 HydrophobicContact CD2-CD2 4.46Å; F198-Y205 HydrophobicContact CD2-CG 4.44Å; F198-F206 HydrophobicContact CE2-CB 4.48Å; F198-F206 HydrophobicContact CZ-CB 4.4Å; F198-L216 HydrophobicContact CE2-CD1 4.09Å; F198-L216 HydrophobicContact CZ-CB 4.35Å; F198-W302 AromaticContact CE1-CD1 3.87Å; F198-W302 HydrophobicContact CE1-CD2 4.42Å; F198-W302 AromaticContact CE1-CE2 3.88Å; F198-W302 HydrophobicContact CE1-CG 4.42Å; F198-W302 HydrophobicContact CE1-CZ2 4.38Å; F198-W302 AromaticContact CE1-NE1 3.51Å; F198-W302 AromaticContact CZ-CE2 3.9Å; F198-W302 AromaticContact CZ-CZ2 3.96Å; F198-W302 HydrophobicContact CZ-CZ2 3.96Å; F198-W302 AromaticContact CZ-NE1 3.75Å
199L97.1Very high94.1Very high4 Ų462.8 Ų62.82%0.02134%0.343CS..Hα-helixtrans-71.1-22.6-176.2-73.4173.4000113.3F172 L195 T196 L291 L295 R298 A299F172-L199 HydrophobicContact CD1-CD2 4Å; F172-L199 HydrophobicContact CE1-CD1 4.5Å; F172-L199 HydrophobicContact CE1-CD2 3.55Å; F172-L199 HydrophobicContact CE1-CG 4.04Å; L195-L199 HydrophobicContact CD1-CD1 3.96Å; L195-L199 HydrophobicContact CD1-CG 4.2Å; L195-L199 HydrophobicContact CG-CD1 4.09Å; L195-L199 WeakPolarHBondContact O-CG 3.28Å; L195-L199 PolarHBondContact O-N 2.92Å; T196-L199 PolarHBondContact O-N 3.12Å; T196-L199 VanDerWaalsContact O-N 3.1Å; L199-L291 HydrophobicContact CD1-CD2 4.32Å; L199-L295 HydrophobicContact CB-CD2 4.09Å; L199-L295 HydrophobicContact CD1-CB 4.2Å; L199-L295 HydrophobicContact CD1-CD2 4.2Å; L199-R298 HydrophobicContact CB-CB 4.27Å; L199-R298 HydrophobicContact CD2-CB 4.48Å; L199-R298 WeakPolarHBondContact O-CD 2.96Å; L199-A299 HydrophobicContact CD1-CB 4.12Å; L199-A299 HydrophobicContact CD2-CB 3.86Å
200L96.3Very high94.1Very high78 Ų7863.1 Ų63.141%0.40835%0.348SS..Hα-helixtrans-71.6-35.3173.8-71.1175000112.1T196 E197 F198T196-L200 HydrophobicContact CG2-CD1 4.15Å; T196-L200 HydrophobicContact CG2-CG 4.5Å; T196-L200 WeakPolarHBondContact O-CG 3.47Å; T196-L200 PolarHBondContact O-N 3.47Å; E197-L200 PolarHBondContact O-N 2.96Å; F198-L200 VanDerWaalsContact C-N 3.27Å; F198-L200 PolarHBondContact O-N 3.18Å
201D95.5Very high94.2Very high70 Ų7065.1 Ų65.137%0.37435%0.35SS..SBendtrans-147.871.3179.8-174.312.7000112.5E197 F198 H203 S204 Y205E197-D201 PolarHBondContact O-N 3.43Å; F198-D201 CarbonylContact O-C 3.6Å; F198-D201 VanDerWaalsContact O-C 3.22Å; F198-D201 PolarHBondContact O-N 2.99Å; D201-H203 VanDerWaalsContact C-N 3.28Å; D201-H203 PolarHBondContact O-N 3.05Å; D201-S204 VanDerWaalsContact CG-OG 3.23Å; D201-S204 PolarHBondContact O-N 3.38Å; D201-S204 PolarHBondContact OD1-OG 3.32Å; D201-S204 WeakPolarHBondContact OD2-CB 3.3Å; D201-S204 PolarHBondContact OD2-OG 3.36Å; D201-Y205 WeakPolarHBondContact O-CD2 3.42Å
202P95.9Very high94.5Very high19 Ų1963.3 Ų63.312%0.12333%0.327CS..G310 helixtrans-68.9-28-170.526.7-35.6000112.8F198 S204 Y205 F206 W302F198-P202 HydrophobicContact CD1-CB 4.06Å; F198-P202 HydrophobicContact CE1-CB 3.58Å; F198-P202 HydrophobicContact CZ-CB 3.91Å; F198-P202 WeakPolarHBondContact O-CA 3.41Å; F198-P202 WeakPolarHBondContact O-CB 3.19Å; F198-P202 WeakPolarHBondContact O-CD 3.32Å; P202-S204 VanDerWaalsContact C-N 3.29Å; P202-S204 PolarHBondContact O-N 3.1Å; P202-Y205 CarbonylContact O-C 3.51Å; P202-Y205 PolarHBondContact O-N 2.7Å; P202-Y205 VanDerWaalsContact O-N 3.11Å; P202-F206 VanDerWaalsContact O-CB 3.25Å; P202-F206 WeakPolarHBondContact O-CB 3.33Å; P202-F206 PolarHBondContact O-N 3.15Å; P202-F206 VanDerWaalsContact O-N 3.1Å; P202-W302 HydrophobicContact CB-CD2 3.6Å; P202-W302 HydrophobicContact CB-CE3 3.46Å; P202-W302 VanDerWaalsContact CB-CE3 3.46Å; P202-W302 HydrophobicContact CB-CG 4.29Å; P202-W302 HydrophobicContact CB-CH2 3.88Å; P202-W302 HydrophobicContact CB-CZ2 4.03Å; P202-W302 HydrophobicContact CB-CZ3 3.6Å; P202-W302 HydrophobicContact CG-CD2 3.91Å; P202-W302 HydrophobicContact CG-CE3 3.37Å; P202-W302 HydrophobicContact CG-CH2 4.44Å; P202-W302 HydrophobicContact CG-CZ3 3.67Å
203H94.5Very high94.9Very high146 Ų14655.1 Ų55.168%0.67628%0.283SS*.G310 helixtrans-66.8-28.6179.3-67.2-76.2000112.9D201 Y205 W302D201-H203 VanDerWaalsContact C-N 3.28Å; D201-H203 PolarHBondContact O-N 3.05Å; H203-Y205 PolarHBondContact O-N 2.75Å; H203-W302 AromaticContact CE1-CZ3 3.78Å; H203-W302 AromaticContact NE2-CZ3 3.96Å
204S94.4Very high95.2Very high76 Ų7652.1 Ų52.153%0.53127%0.266SS..G310 helixtrans-72.7-17173.8-72.10000113.8D201 P202D201-S204 VanDerWaalsContact CG-OG 3.23Å; D201-S204 PolarHBondContact O-N 3.38Å; D201-S204 PolarHBondContact OD1-OG 3.32Å; D201-S204 WeakPolarHBondContact OD2-CB 3.3Å; D201-S204 PolarHBondContact OD2-OG 3.36Å; P202-S204 VanDerWaalsContact C-N 3.29Å; P202-S204 PolarHBondContact O-N 3.1Å
205Y94.8Very high95.3Very high42 Ų4250.4 Ų50.417%0.16526%0.258CS..G310 helixtrans-123.314.6-173.8-54.1-64.6000113.3F185 I189 P190 F198 D201 P202 H203F185-Y205 WeakPolarHBondContact CB-O 3.2Å; I189-Y205 HydrophobicContact CB-CE1 4.45Å; I189-Y205 HydrophobicContact CD1-CG 4.24Å; I189-Y205 HydrophobicContact CG1-CD1 3.58Å; I189-Y205 HydrophobicContact CG1-CD2 4.28Å; I189-Y205 HydrophobicContact CG1-CE1 3.96Å; I189-Y205 HydrophobicContact CG1-CG 3.76Å; P190-Y205 WeakPolarHBondContact CD-OH 3.04Å; F198-Y205 HydrophobicContact CD2-CD2 4.46Å; F198-Y205 HydrophobicContact CD2-CG 4.44Å; D201-Y205 WeakPolarHBondContact O-CD2 3.42Å; P202-Y205 CarbonylContact O-C 3.51Å; P202-Y205 PolarHBondContact O-N 2.7Å; P202-Y205 VanDerWaalsContact O-N 3.11Å; H203-Y205 PolarHBondContact O-N 2.75Å
206F95.9Very high95.5Very high29 Ų2950.1 Ų50.113%0.12726%0.257CS..  trans-132.6128.5-179.6179.1-98.6000111.6F198 P202 P208 L216 K217 T229 W302F198-F206 HydrophobicContact CE2-CB 4.48Å; F198-F206 HydrophobicContact CZ-CB 4.4Å; P202-F206 VanDerWaalsContact O-CB 3.25Å; P202-F206 WeakPolarHBondContact O-CB 3.33Å; P202-F206 PolarHBondContact O-N 3.15Å; P202-F206 VanDerWaalsContact O-N 3.1Å; F206-P208 HydrophobicContact CE1-CB 4.2Å; F206-P208 HydrophobicContact CZ-CB 4.34Å; F206-L216 HydrophobicContact CD2-CB 4.05Å; F206-L216 HydrophobicContact CE2-CB 4.33Å; F206-K217 HydrophobicContact CE1-CD 3.89Å; F206-K217 HydrophobicContact CE2-CB 3.78Å; F206-K217 HydrophobicContact CE2-CD 4.48Å; F206-K217 HydrophobicContact CZ-CB 3.88Å; F206-K217 HydrophobicContact CZ-CD 3.83Å; F206-K217 HydrophobicContact CZ-CG 4.48Å; F206-T229 HydrophobicContact CZ-CG2 4.41Å; F206-W302 HydrophobicContact CB-CH2 3.78Å; F206-W302 HydrophobicContact CB-CZ2 3.72Å; F206-W302 AromaticContact CD1-CH2 3.7Å; F206-W302 HydrophobicContact CD1-CH2 3.7Å; F206-W302 AromaticContact CD1-CZ2 3.84Å; F206-W302 HydrophobicContact CD1-CZ2 3.84Å; F206-W302 AromaticContact CD2-CZ2 3.88Å; F206-W302 HydrophobicContact CD2-CZ2 3.88Å; F206-W302 HydrophobicContact CE1-CH2 4.44Å; F206-W302 HydrophobicContact CE1-CZ2 4.44Å; F206-W302 HydrophobicContact CE2-CZ2 4.47Å; F206-W302 AromaticContact CG-CH2 3.75Å; F206-W302 HydrophobicContact CG-CH2 3.75Å; F206-W302 AromaticContact CG-CZ2 3.52Å; F206-W302 HydrophobicContact CG-CZ2 3.52Å
207D95.1Very high95.6Very high65 Ų6550 Ų5035%0.34825%0.254SS..  trans-129.3121.7169.5179.8-9.4000107.9F185 E209 G210 S213F185-D207 HydrophobicContact CE1-CB 3.82Å; F185-D207 HydrophobicContact CE2-CB 3.78Å; F185-D207 HydrophobicContact CZ-CB 3.36Å; D207-E209 PolarHBondContact O-N 2.88Å; D207-E209 PolarHBondContact OD1-N 3.24Å; D207-G210 PolarHBondContact O-N 2.65Å; D207-S213 WeakPolarHBondContact O-CB 3.4Å; D207-S213 PolarHBondContact O-OG 2.9Å; D207-S213 VanDerWaalsContact O-OG 3.1Å
208P94.3Very high95.7Very high60 Ų6046.7 Ų46.739%0.3924%0.239SC..THydrogen-bonded Turntrans-58.8-30.9179.425.5-35.5000113.2F206 G210 S213 T229F206-P208 HydrophobicContact CE1-CB 4.2Å; F206-P208 HydrophobicContact CZ-CB 4.34Å; P208-G210 PolarHBondContact O-N 3.34Å; P208-S213 PolarHBondContact O-OG 3.29Å; P208-T229 HydrophobicContact CB-CG2 3.67Å
209E93.4Very high95.8Very high171 Ų17146.9 Ų46.980%0.79924%0.239SC*.THydrogen-bonded Turntrans-85.8-0.4178-61.2-58.1118.500112.6D207D207-E209 PolarHBondContact O-N 2.88Å; D207-E209 PolarHBondContact OD1-N 3.24Å
210G93.6Very high95.8Very high11 Ų1146.7 Ų46.711%0.11324%0.238CC..SBendtrans-64144-179.600000114.1F185 D207 P208 N212 S213F185-G210 VanDerWaalsContact CE2-CA 3.44Å; D207-G210 PolarHBondContact O-N 2.65Å; P208-G210 PolarHBondContact O-N 3.34Å; G210-N212 PolarHBondContact O-N 2.9Å; G210-N212 VanDerWaalsContact O-N 3.11Å; G210-S213 VanDerWaalsContact O-CB 3.32Å; G210-S213 WeakPolarHBondContact O-CB 3.5Å; G210-S213 PolarHBondContact O-N 2.99Å; G210-S213 PolarHBondContact O-OG 3.09Å
211F94.5Very high96Very high109 Ų10943 Ų4348%0.47822%0.219SC..THydrogen-bonded Turntrans-58.1121.2175.2-175.8-100.1000111P184 S213P184-F211 WeakPolarHBondContact CD-O 3.37Å; P184-F211 HydrophobicContact CG-CB 4.42Å; P184-F211 HydrophobicContact CG-CD1 4.19Å; F211-S213 PolarHBondContact O-N 3.37Å
212N95.3Very high96.1Very high17 Ų1740.2 Ų40.29%0.09120%0.204CC..THydrogen-bonded Turntrans59.515.3-176.2-66.9-22.8000115.7V182 V183 G210 F214 Y215V182-N212 PolarHBondContact O-ND2 3.19Å; V183-N212 HydrophobicContact CG2-CB 3.92Å; V183-N212 WeakPolarHBondContact CG2-O 3.44Å; G210-N212 PolarHBondContact O-N 2.9Å; G210-N212 VanDerWaalsContact O-N 3.11Å; N212-F214 HydrophobicContact CB-CE1 4.39Å; N212-F214 HydrophobicContact CB-CZ 4.17Å; N212-F214 PolarHBondContact O-N 3.27Å; N212-F214 VanDerWaalsContact O-N 3.15Å; N212-F214 WeakPolarHBondContact OD1-CZ 3.47Å; N212-Y215 HydrophobicContact CB-CD2 4.02Å; N212-Y215 HydrophobicContact CB-CE2 4.26Å; N212-Y215 PolarHBondContact O-N 2.85Å
213S95.5Very high96.2Very high4 Ų439.3 Ų39.33%0.02820%0.198CC..G310 helixtrans-59.5-26.2-179.9630000113.2D207 P208 G210 F211 Y215 L216D207-S213 WeakPolarHBondContact O-CB 3.4Å; D207-S213 PolarHBondContact O-OG 2.9Å; D207-S213 VanDerWaalsContact O-OG 3.1Å; P208-S213 PolarHBondContact O-OG 3.29Å; G210-S213 VanDerWaalsContact O-CB 3.32Å; G210-S213 WeakPolarHBondContact O-CB 3.5Å; G210-S213 PolarHBondContact O-N 2.99Å; G210-S213 PolarHBondContact O-OG 3.09Å; F211-S213 PolarHBondContact O-N 3.37Å; S213-Y215 PolarHBondContact O-N 2.88Å; S213-L216 WeakPolarHBondContact O-CB 3.25Å; S213-L216 PolarHBondContact O-N 2.94Å
214F96.1Very high96.4Very high22 Ų2232.4 Ų32.410%0.09617%0.166CC..G310 helixtrans-56.9-21177.454.3-101.6000114.3Y119 P120 N212 L216 F222 N228Y119-F214 HydrophobicContact CD1-CE2 4.19Å; Y119-F214 AromaticContact CE1-CD2 3.94Å; Y119-F214 HydrophobicContact CE1-CD2 3.94Å; Y119-F214 AromaticContact CE1-CE2 3.45Å; Y119-F214 HydrophobicContact CE1-CE2 3.45Å; Y119-F214 VanDerWaalsContact CE1-CE2 3.45Å; Y119-F214 HydrophobicContact CE1-CZ 4.2Å; P120-F214 HydrophobicContact CB-CD1 4.06Å; P120-F214 HydrophobicContact CB-CD2 4.49Å; P120-F214 HydrophobicContact CB-CE1 3.56Å; P120-F214 HydrophobicContact CB-CE2 4.08Å; P120-F214 HydrophobicContact CB-CZ 3.59Å; P120-F214 HydrophobicContact CG-CD1 4.31Å; P120-F214 HydrophobicContact CG-CE1 3.51Å; P120-F214 HydrophobicContact CG-CZ 3.76Å; N212-F214 HydrophobicContact CB-CE1 4.39Å; N212-F214 HydrophobicContact CB-CZ 4.17Å; N212-F214 PolarHBondContact O-N 3.27Å; N212-F214 VanDerWaalsContact O-N 3.15Å; N212-F214 WeakPolarHBondContact OD1-CZ 3.47Å; F214-L216 PolarHBondContact O-N 3.32Å; F214-F222 HydrophobicContact CB-CD1 3.97Å; F214-F222 HydrophobicContact CB-CD2 3.91Å; F214-F222 HydrophobicContact CB-CE1 3.71Å; F214-F222 HydrophobicContact CB-CE2 3.62Å; F214-F222 HydrophobicContact CB-CG 4.05Å; F214-F222 HydrophobicContact CB-CZ 3.51Å; F214-F222 HydrophobicContact CD1-CE1 4.29Å; F214-F222 AromaticContact CD1-CZ 3.96Å; F214-F222 HydrophobicContact CD1-CZ 3.96Å; F214-F222 HydrophobicContact CD2-CD1 4.13Å; F214-F222 AromaticContact CD2-CE1 3.66Å; F214-F222 HydrophobicContact CD2-CE1 3.66Å; F214-F222 HydrophobicContact CD2-CZ 4.15Å; F214-F222 HydrophobicContact CE2-CE1 4.43Å; F214-F222 HydrophobicContact CG-CD1 4.23Å; F214-F222 AromaticContact CG-CE1 3.6Å; F214-F222 HydrophobicContact CG-CE1 3.6Å; F214-F222 HydrophobicContact CG-CE2 4.23Å; F214-F222 AromaticContact CG-CZ 3.59Å; F214-F222 HydrophobicContact CG-CZ 3.59Å; F214-N228 PolarHBondContact O-ND2 3.34Å
215Y97.1Very high96.6Very high29 Ų2929.7 Ų29.711%0.11415%0.15CC..G310 helixtrans-71.4-15172.3-71.3-55.5000113.9Y119 F179 V183 N212 S213 L219Y119-Y215 AromaticContact CE1-CE1 3.9Å; Y119-Y215 HydrophobicContact CE1-CE1 3.9Å; F179-Y215 HydrophobicContact CB-CD2 3.93Å; F179-Y215 HydrophobicContact CB-CG 3.94Å; F179-Y215 HydrophobicContact CD1-CD1 4.13Å; F179-Y215 AromaticContact CD1-CD2 3.98Å; F179-Y215 HydrophobicContact CD1-CD2 3.98Å; F179-Y215 AromaticContact CD1-CE1 3.91Å; F179-Y215 HydrophobicContact CD1-CE1 3.91Å; F179-Y215 AromaticContact CD1-CE2 3.75Å; F179-Y215 HydrophobicContact CD1-CE2 3.75Å; F179-Y215 HydrophobicContact CD1-CG 4.18Å; F179-Y215 AromaticContact CD1-CZ 3.7Å; F179-Y215 AromaticContact CD2-CD1 3.62Å; F179-Y215 HydrophobicContact CD2-CD1 3.62Å; F179-Y215 HydrophobicContact CD2-CD2 4.48Å; F179-Y215 HydrophobicContact CD2-CE1 4.03Å; F179-Y215 AromaticContact CD2-CG 3.88Å; F179-Y215 HydrophobicContact CD2-CG 3.88Å; F179-Y215 HydrophobicContact CE1-CD1 4.2Å; F179-Y215 AromaticContact CE1-CE1 3.62Å; F179-Y215 HydrophobicContact CE1-CE1 3.62Å; F179-Y215 HydrophobicContact CE1-CE2 4.1Å; F179-Y215 AromaticContact CE1-CZ 3.55Å; F179-Y215 AromaticContact CE2-CD1 3.7Å; F179-Y215 HydrophobicContact CE2-CD1 3.7Å; F179-Y215 AromaticContact CE2-CE1 3.76Å; F179-Y215 HydrophobicContact CE2-CE1 3.76Å; F179-Y215 HydrophobicContact CE2-CG 4.41Å; F179-Y215 AromaticContact CG-CD1 3.86Å; F179-Y215 HydrophobicContact CG-CD1 3.86Å; F179-Y215 AromaticContact CG-CD2 3.91Å; F179-Y215 HydrophobicContact CG-CD2 3.91Å; F179-Y215 HydrophobicContact CG-CE1 4.11Å; F179-Y215 HydrophobicContact CG-CE2 4.16Å; F179-Y215 AromaticContact CG-CG 3.75Å; F179-Y215 HydrophobicContact CG-CG 3.75Å; F179-Y215 AromaticContact CZ-CD1 3.99Å; F179-Y215 HydrophobicContact CZ-CD1 3.99Å; F179-Y215 AromaticContact CZ-CE1 3.54Å; F179-Y215 HydrophobicContact CZ-CE1 3.54Å; F179-Y215 AromaticContact CZ-CZ 3.99Å; V183-Y215 HydrophobicContact CG2-CD2 4.17Å; N212-Y215 HydrophobicContact CB-CD2 4.02Å; N212-Y215 HydrophobicContact CB-CE2 4.26Å; N212-Y215 PolarHBondContact O-N 2.85Å; S213-Y215 PolarHBondContact O-N 2.88Å; Y215-L219 HydrophobicContact CD1-CD1 3.9Å; Y215-L219 HydrophobicContact CD1-CD2 4.15Å
216L97Very high96.8Very high1 Ų129.5 Ų29.51%0.00515%0.152CC..G310 helixtrans-99.5-4.8-171.7-58.7-175.8000114.2F172 F176 V183 T186 F198 F206 S213 F214 W302F172-L216 WeakPolarHBondContact CE2-O 3.11Å; F176-L216 HydrophobicContact CD2-CD2 3.88Å; F176-L216 HydrophobicContact CE2-CD2 4.23Å; V183-L216 HydrophobicContact CG1-CD1 3.58Å; V183-L216 HydrophobicContact CG1-CG 3.98Å; T186-L216 HydrophobicContact CG2-CD1 3.95Å; T186-L216 HydrophobicContact CG2-CD2 3.98Å; F198-L216 HydrophobicContact CE2-CD1 4.09Å; F198-L216 HydrophobicContact CZ-CB 4.35Å; F206-L216 HydrophobicContact CD2-CB 4.05Å; F206-L216 HydrophobicContact CE2-CB 4.33Å; S213-L216 WeakPolarHBondContact O-CB 3.25Å; S213-L216 PolarHBondContact O-N 2.94Å; F214-L216 PolarHBondContact O-N 3.32Å; L216-W302 PolarHBondContact O-NE1 3.21Å
217K98.1Very high96.9Very high25 Ų2531.6 Ų31.611%0.10916%0.164CC..SBendtrans-148.9131.1-178.7-168178.7-178.6-1740110.8F206 L219 N228 W302F206-K217 HydrophobicContact CE1-CD 3.89Å; F206-K217 HydrophobicContact CE2-CB 3.78Å; F206-K217 HydrophobicContact CE2-CD 4.48Å; F206-K217 HydrophobicContact CZ-CB 3.88Å; F206-K217 HydrophobicContact CZ-CD 3.83Å; F206-K217 HydrophobicContact CZ-CG 4.48Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 2.96Å; K217-L219 VanDerWaalsContact O-N 3.15Å; K217-N228 PolarHBondContact O-ND2 3.41Å; K217-W302 HydrophobicContact CB-CZ2 4.24Å; K217-W302 HydrophobicContact CD-CH2 4.25Å; K217-W302 HydrophobicContact CD-CZ2 3.95Å; K217-W302 HydrophobicContact CG-CZ2 4.16Å
218N98.7Very high97Very high3 Ų328.8 Ų28.82%0.01615%0.149CC..  trans39.554.6175.3-56.5-59.3000113.9L220 F221 F222 N228 N303 I305 D306N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.99Å; N218-F221 HydrophobicContact CB-CB 4.23Å; N218-F221 PolarHBondContact O-N 3.34Å; N218-F222 PolarHBondContact O-N 3.01Å; N218-N228 HydrophobicContact CB-CB 3.9Å; N218-N228 PolarHBondContact ND2-O 3.49Å; N218-N228 WeakPolarHBondContact O-CB 3.18Å; N218-N303 PolarHBondContact N-OD1 2.95Å; N218-N303 WeakPolarHBondContact OD1-CA 3.34Å; N218-N303 PolarHBondContact OD1-O 3.48Å; N218-I305 HydrophobicContact CB-CB 4.26Å; N218-I305 PolarHBondContact OD1-N 3Å; N218-I305 VanDerWaalsContact OD1-N 3.16Å; N218-D306 VanDerWaalsContact C-CG 3.5Å; N218-D306 VanDerWaalsContact CA-CG 3.43Å; N218-D306 VanDerWaalsContact CA-OD2 3.3Å; N218-D306 WeakPolarHBondContact CA-OD2 3.2Å; N218-D306 PolarHBondContact OD1-N 3.45Å; N218-D306 VanDerWaalsContact OD1-N 3.15Å
219L98.4Very high97.1Very high3 Ų328.1 Ų28.12%0.01614%0.144CC..Hα-helixtrans-64.4-32.8-170.8-17955.7000113H86 Y215 K217 F222 D223 D306H86-L219 HydrophobicContact CB-CD2 3.8Å; H86-L219 HydrophobicContact CB-CG 4.27Å; Y215-L219 HydrophobicContact CD1-CD1 3.9Å; Y215-L219 HydrophobicContact CD1-CD2 4.15Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 2.96Å; K217-L219 VanDerWaalsContact O-N 3.15Å; L219-F222 PolarHBondContact O-N 3.04Å; L219-D223 WeakPolarHBondContact O-CB 3.29Å; L219-D223 VanDerWaalsContact O-CG 3.31Å; L219-D223 PolarHBondContact O-N 2.84Å; L219-D306 PolarHBondContact N-OD2 3.45Å
220L98.6Very high97.3Very high0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-65.3-48176.2-59.3169.9000110T85 T88 L165 L171 N218 F222 D223 F224 D306 L309T85-L220 HydrophobicContact CG2-CD2 4Å; T88-L220 HydrophobicContact CG2-CD2 3.83Å; L165-L220 HydrophobicContact CB-CD1 4.27Å; L165-L220 HydrophobicContact CD2-CD1 4.13Å; L165-L220 HydrophobicContact CD2-CD2 4.16Å; L165-L220 HydrophobicContact CD2-CG 4.5Å; L171-L220 HydrophobicContact CD2-CD1 3.88Å; L171-L220 HydrophobicContact CD2-CD2 3.78Å; L171-L220 HydrophobicContact CD2-CG 3.46Å; L171-L220 VanDerWaalsContact CD2-CG 3.46Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.99Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 2.89Å; L220-D223 WeakPolarHBondContact O-CB 3.44Å; L220-D223 PolarHBondContact O-N 2.87Å; L220-D223 VanDerWaalsContact O-N 3.16Å; L220-F224 WeakPolarHBondContact O-CD2 3.4Å; L220-F224 PolarHBondContact O-N 3.4Å; L220-F224 VanDerWaalsContact O-N 3.09Å; L220-D306 WeakPolarHBondContact CB-OD1 3.34Å; L220-D306 HydrophobicContact CD1-CB 4.46Å; L220-D306 PolarHBondContact N-OD1 3Å; L220-D306 PolarHBondContact N-OD2 3.1Å; L220-L309 HydrophobicContact CB-CD2 3.93Å
221F98.5Very high97.5Very high1 Ų126.8 Ų26.80%0.00414%0.135CC..Hα-helixtrans-59.5-40.5177.8-150.5-111000111.8N218 F224 L226 D227 L230 I241 I305 D306N218-F221 HydrophobicContact CB-CB 4.23Å; N218-F221 PolarHBondContact O-N 3.34Å; F221-F224 PolarHBondContact O-N 2.84Å; F221-L226 HydrophobicContact CD1-CB 3.47Å; F221-L226 VanDerWaalsContact CD1-CB 3.47Å; F221-L226 HydrophobicContact CD1-CD1 4.18Å; F221-L226 HydrophobicContact CD1-CG 4.46Å; F221-L226 HydrophobicContact CD2-CD1 3.83Å; F221-L226 HydrophobicContact CE1-CB 3.38Å; F221-L226 HydrophobicContact CE1-CD1 3.83Å; F221-L226 HydrophobicContact CE1-CG 4.19Å; F221-L226 HydrophobicContact CE2-CD1 3.43Å; F221-L226 VanDerWaalsContact CE2-CD1 3.43Å; F221-L226 HydrophobicContact CG-CB 4.1Å; F221-L226 HydrophobicContact CG-CD1 4.18Å; F221-L226 HydrophobicContact CZ-CB 3.94Å; F221-L226 HydrophobicContact CZ-CD1 3.43Å; F221-L226 VanDerWaalsContact CZ-CD1 3.43Å; F221-L226 HydrophobicContact CZ-CG 4.25Å; F221-L226 WeakPolarHBondContact O-CB 3.3Å; F221-L226 PolarHBondContact O-N 3.33Å; F221-D227 VanDerWaalsContact CD1-O 3.29Å; F221-D227 WeakPolarHBondContact CD1-O 3.43Å; F221-D227 WeakPolarHBondContact CE1-O 3.41Å; F221-L230 HydrophobicContact CE1-CD1 4.44Å; F221-I241 HydrophobicContact CE2-CG1 4.32Å; F221-I305 HydrophobicContact CB-CG2 3.95Å; F221-I305 HydrophobicContact CD1-CG2 3.76Å; F221-I305 HydrophobicContact CD2-CG2 3.49Å; F221-I305 VanDerWaalsContact CD2-CG2 3.49Å; F221-I305 HydrophobicContact CE1-CG2 4.05Å; F221-I305 HydrophobicContact CE2-CG2 3.81Å; F221-I305 HydrophobicContact CG-CG2 3.47Å; F221-I305 VanDerWaalsContact CG-CG2 3.47Å; F221-I305 HydrophobicContact CZ-CG2 4.07Å; F221-D306 WeakPolarHBondContact CB-OD1 3.5Å; F221-D306 PolarHBondContact N-OD1 3.38Å
222F98.7Very high97.6Very high11 Ų1124.2 Ų24.25%0.04813%0.126CC..Hα-helixtrans-61.9-45.6173.7-169.1-100.7000112.6Y119 P120 R145 F214 N218 L219 L220 F224 G225 N228Y119-F222 HydrophobicContact CE1-CE1 4.2Å; Y119-F222 HydrophobicContact CE2-CD1 4.28Å; Y119-F222 HydrophobicContact CE2-CE1 4.15Å; Y119-F222 AromaticContact CZ-CD1 3.79Å; Y119-F222 AromaticContact CZ-CE1 3.66Å; Y119-F222 WeakPolarHBondContact OH-CD1 3.45Å; P120-F222 HydrophobicContact CB-CE1 3.89Å; P120-F222 HydrophobicContact CB-CZ 3.93Å; R145-F222 WeakPolarHBondContact CG-O 3.26Å; F214-F222 HydrophobicContact CB-CD1 3.97Å; F214-F222 HydrophobicContact CB-CD2 3.91Å; F214-F222 HydrophobicContact CB-CE1 3.71Å; F214-F222 HydrophobicContact CB-CE2 3.62Å; F214-F222 HydrophobicContact CB-CG 4.05Å; F214-F222 HydrophobicContact CB-CZ 3.51Å; F214-F222 HydrophobicContact CD1-CE1 4.29Å; F214-F222 AromaticContact CD1-CZ 3.96Å; F214-F222 HydrophobicContact CD1-CZ 3.96Å; F214-F222 HydrophobicContact CD2-CD1 4.13Å; F214-F222 AromaticContact CD2-CE1 3.66Å; F214-F222 HydrophobicContact CD2-CE1 3.66Å; F214-F222 HydrophobicContact CD2-CZ 4.15Å; F214-F222 HydrophobicContact CE2-CE1 4.43Å; F214-F222 HydrophobicContact CG-CD1 4.23Å; F214-F222 AromaticContact CG-CE1 3.6Å; F214-F222 HydrophobicContact CG-CE1 3.6Å; F214-F222 HydrophobicContact CG-CE2 4.23Å; F214-F222 AromaticContact CG-CZ 3.59Å; F214-F222 HydrophobicContact CG-CZ 3.59Å; N218-F222 PolarHBondContact O-N 3.01Å; L219-F222 PolarHBondContact O-N 3.04Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 PolarHBondContact O-N 2.89Å; F222-F224 PolarHBondContact O-N 3.5Å; F222-G225 WeakPolarHBondContact O-CA 3.44Å; F222-G225 PolarHBondContact O-N 2.79Å; F222-N228 HydrophobicContact CB-CB 3.77Å; F222-N228 HydrophobicContact CD2-CB 4.16Å; F222-N228 VanDerWaalsContact CD2-CG 3.48Å; F222-N228 WeakPolarHBondContact CD2-OD1 3.46Å; F222-N228 HydrophobicContact CG-CB 4.43Å
223D98.6Very high97.7Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-57.7-38177.5-77.3-16.5000111M83 T85 H86 Y119 F146 L219 L220 G225M83-D223 HydrophobicContact CE-CB 4.19Å; M83-D223 WeakPolarHBondContact CE-O 3.31Å; T85-D223 VanDerWaalsContact CA-OD2 3.28Å; T85-D223 WeakPolarHBondContact CA-OD2 3.29Å; T85-D223 HydrophobicContact CG2-CB 4.27Å; H86-D223 IonicContact CE1-OD1 3.82Å; H86-D223 PolarHBondContact CE1-OD1 2.79Å; H86-D223 IonicContact CG-OD2 3.4Å; H86-D223 PolarHBondContact N-OD2 3.15Å; H86-D223 VanDerWaalsContact ND1-CG 3.32Å; H86-D223 IonicContact ND1-OD1 3.97Å; H86-D223 PolarHBondContact ND1-OD1 2.82Å; H86-D223 IonicContact ND1-OD2 3.36Å; H86-D223 PolarHBondContact ND1-OD2 2.86Å; Y119-D223 WeakPolarHBondContact CE2-OD1 3.19Å; Y119-D223 PolarHBondContact OH-OD1 2.96Å; F146-D223 WeakPolarHBondContact CB-O 3.36Å; F146-D223 PolarHBondContact N-O 3.17Å; L219-D223 WeakPolarHBondContact O-CB 3.29Å; L219-D223 VanDerWaalsContact O-CG 3.31Å; L219-D223 PolarHBondContact O-N 2.84Å; L220-D223 WeakPolarHBondContact O-CB 3.44Å; L220-D223 PolarHBondContact O-N 2.87Å; L220-D223 VanDerWaalsContact O-N 3.16Å; D223-G225 PolarHBondContact O-N 3.48Å
224F98.7Very high97.8Very high2 Ų232.4 Ų32.41%0.00917%0.165CC..THydrogen-bonded Turntrans-70.16.5173.6-71.4-67.3000114.9M83 T85 T163 L165 L220 F221 F222 L226 I244 F248 L309M83-F224 HydrophobicContact CB-CE1 4.43Å; M83-F224 HydrophobicContact CG-CD1 4.15Å; M83-F224 HydrophobicContact CG-CE1 3.92Å; T85-F224 HydrophobicContact CG2-CE2 4.28Å; T85-F224 HydrophobicContact CG2-CZ 4.22Å; T163-F224 HydrophobicContact CG2-CE1 4.14Å; T163-F224 HydrophobicContact CG2-CZ 3.79Å; L165-F224 HydrophobicContact CD2-CE2 3.72Å; L165-F224 HydrophobicContact CD2-CZ 3.92Å; L220-F224 WeakPolarHBondContact O-CD2 3.4Å; L220-F224 PolarHBondContact O-N 3.4Å; L220-F224 VanDerWaalsContact O-N 3.09Å; F221-F224 PolarHBondContact O-N 2.84Å; F222-F224 PolarHBondContact O-N 3.5Å; F224-L226 VanDerWaalsContact C-N 3.3Å; F224-L226 HydrophobicContact CB-CD1 4.21Å; F224-L226 HydrophobicContact CB-CG 4.42Å; F224-I244 HydrophobicContact CB-CD1 3.87Å; F224-I244 HydrophobicContact CB-CG1 4.23Å; F224-I244 HydrophobicContact CD1-CD1 4.11Å; F224-I244 HydrophobicContact CD1-CG1 3.98Å; F224-I244 HydrophobicContact CD1-CG2 4.31Å; F224-I244 HydrophobicContact CD2-CD1 3.49Å; F224-I244 VanDerWaalsContact CD2-CD1 3.49Å; F224-I244 HydrophobicContact CD2-CG1 4.27Å; F224-I244 HydrophobicContact CE1-CG1 4.45Å; F224-I244 HydrophobicContact CE1-CG2 3.95Å; F224-I244 HydrophobicContact CE2-CD1 4.06Å; F224-I244 HydrophobicContact CE2-CG2 4.46Å; F224-I244 HydrophobicContact CG-CD1 3.55Å; F224-I244 HydrophobicContact CG-CG1 3.9Å; F224-I244 HydrophobicContact CZ-CG2 4.05Å; F224-F248 AromaticContact CD1-CE2 3.92Å; F224-F248 HydrophobicContact CD1-CE2 3.92Å; F224-F248 HydrophobicContact CD1-CZ 4.13Å; F224-F248 HydrophobicContact CE1-CD2 4.27Å; F224-F248 HydrophobicContact CE1-CE1 4.39Å; F224-F248 AromaticContact CE1-CE2 3.61Å; F224-F248 HydrophobicContact CE1-CE2 3.61Å; F224-F248 AromaticContact CE1-CZ 3.68Å; F224-F248 HydrophobicContact CE1-CZ 3.68Å; F224-L309 HydrophobicContact CD2-CD2 4.32Å; F224-L309 HydrophobicContact CE2-CD2 4.16Å
225G98.3Very high97.9Very high19 Ų1935.5 Ų35.520%0.19619%0.187CC..THydrogen-bonded Turntrans81.710.2175.800000114.2F146 F222 D223F146-G225 WeakPolarHBondContact O-CA 3.1Å; F222-G225 WeakPolarHBondContact O-CA 3.44Å; F222-G225 PolarHBondContact O-N 2.79Å; D223-G225 PolarHBondContact O-N 3.48Å
226L98.4Very high98Very high38 Ų3839.1 Ų39.120%0.19921%0.205CC..SBendtrans-95.3170.6-177.9-54167.3000110R145 F221 F224 I244R145-L226 PolarHBondContact NH2-O 2.82Å; R145-L226 VanDerWaalsContact NH2-O 3.16Å; F221-L226 HydrophobicContact CD1-CB 3.47Å; F221-L226 VanDerWaalsContact CD1-CB 3.47Å; F221-L226 HydrophobicContact CD1-CD1 4.18Å; F221-L226 HydrophobicContact CD1-CG 4.46Å; F221-L226 HydrophobicContact CD2-CD1 3.83Å; F221-L226 HydrophobicContact CE1-CB 3.38Å; F221-L226 HydrophobicContact CE1-CD1 3.83Å; F221-L226 HydrophobicContact CE1-CG 4.19Å; F221-L226 HydrophobicContact CE2-CD1 3.43Å; F221-L226 VanDerWaalsContact CE2-CD1 3.43Å; F221-L226 HydrophobicContact CG-CB 4.1Å; F221-L226 HydrophobicContact CG-CD1 4.18Å; F221-L226 HydrophobicContact CZ-CB 3.94Å; F221-L226 HydrophobicContact CZ-CD1 3.43Å; F221-L226 VanDerWaalsContact CZ-CD1 3.43Å; F221-L226 HydrophobicContact CZ-CG 4.25Å; F221-L226 WeakPolarHBondContact O-CB 3.3Å; F221-L226 PolarHBondContact O-N 3.33Å; F224-L226 VanDerWaalsContact C-N 3.3Å; F224-L226 HydrophobicContact CB-CD1 4.21Å; F224-L226 HydrophobicContact CB-CG 4.42Å; L226-I244 HydrophobicContact CD1-CD1 4.07Å
227D97.7Very high98.1Very high72 Ų7239.1 Ų39.139%0.38521%0.205SC..  trans-83.9116.9176.7-176.7-7.6000109.6F221 T229 L230F221-D227 VanDerWaalsContact CD1-O 3.29Å; F221-D227 WeakPolarHBondContact CD1-O 3.43Å; F221-D227 WeakPolarHBondContact CE1-O 3.41Å; D227-T229 VanDerWaalsContact C-N 3.33Å; D227-T229 WeakPolarHBondContact OD1-CB 3.42Å; D227-T229 PolarHBondContact OD1-N 3.43Å; D227-T229 PolarHBondContact OD1-OG1 2.97Å; D227-L230 HydrophobicContact CB-CD1 4.11Å; D227-L230 HydrophobicContact CB-CD2 4.1Å; D227-L230 HydrophobicContact CB-CG 3.81Å; D227-L230 WeakPolarHBondContact O-CG 3.45Å
228N97.4Very high98.1Very high7 Ų741.9 Ų41.94%0.03722%0.221CC..SBendtrans-89.40.4-176.566.3-33000113.5F214 K217 N218 F222F214-N228 PolarHBondContact O-ND2 3.34Å; K217-N228 PolarHBondContact O-ND2 3.41Å; N218-N228 HydrophobicContact CB-CB 3.9Å; N218-N228 PolarHBondContact ND2-O 3.49Å; N218-N228 WeakPolarHBondContact O-CB 3.18Å; F222-N228 HydrophobicContact CB-CB 3.77Å; F222-N228 HydrophobicContact CD2-CB 4.16Å; F222-N228 VanDerWaalsContact CD2-CG 3.48Å; F222-N228 WeakPolarHBondContact CD2-OD1 3.46Å; F222-N228 HydrophobicContact CG-CB 4.43Å
229T97.1Very high98.1Very high45 Ų4546.8 Ų46.828%0.27624%0.244SC..SBendtrans-100.9-10.2-178.271.20000113.2F206 P208 D227F206-T229 HydrophobicContact CZ-CG2 4.41Å; P208-T229 HydrophobicContact CB-CG2 3.67Å; D227-T229 VanDerWaalsContact C-N 3.33Å; D227-T229 WeakPolarHBondContact OD1-CB 3.42Å; D227-T229 PolarHBondContact OD1-N 3.43Å; D227-T229 PolarHBondContact OD1-OG1 2.97Å
230L97.7Very high98.1Very high22 Ų2246.8 Ų46.812%0.11525%0.245CC..SBendtrans-52.5152.9177.3-58.9176.9000112.6F221 D227 N234 Q236 V237 I305F221-L230 HydrophobicContact CE1-CD1 4.44Å; D227-L230 HydrophobicContact CB-CD1 4.11Å; D227-L230 HydrophobicContact CB-CD2 4.1Å; D227-L230 HydrophobicContact CB-CG 3.81Å; D227-L230 WeakPolarHBondContact O-CG 3.45Å; L230-N234 HydrophobicContact CB-CB 4.36Å; L230-Q236 HydrophobicContact CD1-CB 3.92Å; L230-V237 HydrophobicContact CB-CG2 4.31Å; L230-V237 HydrophobicContact CD1-CG2 4.26Å; L230-I305 HydrophobicContact CB-CD1 3.97Å; L230-I305 WeakPolarHBondContact O-CD1 3.18Å
231E96.6Very high98.1Very high133 Ų13347.2 Ų47.262%0.62125%0.247SC*.  trans-72.6148.5165.2-61.2-54.4139.400110.6E233 N234E231-E233 VanDerWaalsContact C-N 3.26Å; E231-E233 PolarHBondContact O-N 2.89Å; E231-N234 WeakPolarHBondContact O-CB 3.4Å; E231-N234 PolarHBondContact O-N 3.17Å
232L97.5Very high98.1Very high54 Ų5453.5 Ų53.528%0.28327%0.271SS..THydrogen-bonded Turntrans-59.6-36.5-173.5179.664.3000112.9N234 A304 I305 K308L232-N234 VanDerWaalsContact C-N 3.26Å; L232-N234 PolarHBondContact O-N 3.24Å; L232-A304 HydrophobicContact CD1-CB 4.1Å; L232-A304 HydrophobicContact CD2-CB 4.12Å; L232-I305 HydrophobicContact CD1-CG1 4.25Å; L232-K308 HydrophobicContact CD1-CB 4.27Å; L232-K308 HydrophobicContact CD1-CD 3.88Å
233E97.6Very high98.1Very high148 Ų14855.9 Ų55.969%0.69228%0.281SS*.THydrogen-bonded Turntrans-80.5-4.3-178.6-62.868.9-14800113E231E231-E233 VanDerWaalsContact C-N 3.26Å; E231-E233 PolarHBondContact O-N 2.89Å
234N98.3Very high98.1Very high45 Ų4555.9 Ų55.924%0.24128%0.281CS..  trans-63.2127.4176.9-173.7-47.1000109.9L230 E231 L232 Q236 V237L230-N234 HydrophobicContact CB-CB 4.36Å; E231-N234 WeakPolarHBondContact O-CB 3.4Å; E231-N234 PolarHBondContact O-N 3.17Å; L232-N234 VanDerWaalsContact C-N 3.26Å; L232-N234 PolarHBondContact O-N 3.24Å; N234-Q236 PolarHBondContact O-N 3.18Å; N234-Q236 VanDerWaalsContact OD1-CB 3.26Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.47Å; N234-Q236 WeakPolarHBondContact OD1-CG 3.39Å; N234-Q236 PolarHBondContact OD1-N 2.86Å; N234-V237 HydrophobicContact CB-CG2 4.38Å; N234-V237 VanDerWaalsContact O-CB 3.3Å; N234-V237 WeakPolarHBondContact O-CB 3.2Å; N234-V237 WeakPolarHBondContact O-CG2 3.34Å; N234-V237 PolarHBondContact O-N 3.34Å
235P98.1Very high98.1Very high87 Ų8758 Ų5857%0.56530%0.296SS*.Hα-helixtrans-54.3-29-179.9-27.635.1000114.7V237 D238 E239P235-V237 PolarHBondContact O-N 2.75Å; P235-D238 PolarHBondContact O-N 2.79Å; P235-D238 VanDerWaalsContact O-N 3.16Å; P235-E239 WeakPolarHBondContact O-CG 3.4Å; P235-E239 PolarHBondContact O-N 3.25Å
236Q98.3Very high98.1Very high106 Ų10663.4 Ų63.450%0.49532%0.316SS..Hα-helixtrans-63.4-22.4178-62.3-178.7-80.100112.7L230 N234 G240L230-Q236 HydrophobicContact CD1-CB 3.92Å; N234-Q236 PolarHBondContact O-N 3.18Å; N234-Q236 VanDerWaalsContact OD1-CB 3.26Å; N234-Q236 WeakPolarHBondContact OD1-CB 3.47Å; N234-Q236 WeakPolarHBondContact OD1-CG 3.39Å; N234-Q236 PolarHBondContact OD1-N 2.86Å; Q236-G240 PolarHBondContact O-N 3.2Å
237V98.7Very high98Very high0 Ų064.7 Ų64.70%032%0.318CS..Hα-helixtrans-64-50.8173.2174.80000110.3L230 N234 P235 G240 I241 I305 K308L230-V237 HydrophobicContact CB-CG2 4.31Å; L230-V237 HydrophobicContact CD1-CG2 4.26Å; N234-V237 HydrophobicContact CB-CG2 4.38Å; N234-V237 VanDerWaalsContact O-CB 3.3Å; N234-V237 WeakPolarHBondContact O-CB 3.2Å; N234-V237 WeakPolarHBondContact O-CG2 3.34Å; N234-V237 PolarHBondContact O-N 3.34Å; P235-V237 PolarHBondContact O-N 2.75Å; V237-G240 PolarHBondContact O-N 3.16Å; V237-I241 HydrophobicContact CG1-CD1 4.16Å; V237-I241 WeakPolarHBondContact O-CG1 3.45Å; V237-I241 PolarHBondContact O-N 3.21Å; V237-I305 HydrophobicContact CG1-CG1 4.21Å; V237-I305 HydrophobicContact CG1-CG2 4Å; V237-I305 HydrophobicContact CG2-CD1 3.74Å; V237-I305 HydrophobicContact CG2-CG1 3.93Å; V237-K308 HydrophobicContact CG1-CD 4.09Å
238D98.6Very high98Very high84 Ų8461.8 Ų61.845%0.44930%0.302SS..Hα-helixtrans-68.7-38179.5-75.1-49.9000112.1P235 G240 I241 R242 K308P235-D238 PolarHBondContact O-N 2.79Å; P235-D238 VanDerWaalsContact O-N 3.16Å; D238-G240 VanDerWaalsContact C-N 3.32Å; D238-G240 PolarHBondContact O-N 3.13Å; D238-I241 PolarHBondContact O-N 3.28Å; D238-R242 WeakPolarHBondContact O-CB 3.12Å; D238-R242 PolarHBondContact O-N 2.77Å; D238-K308 WeakPolarHBondContact OD1-CE 3.28Å; D238-K308 IonicContact OD1-NZ 3.19Å; D238-K308 PolarHBondContact OD1-NZ 2.96Å; D238-K308 IonicContact OD2-NZ 3.07Å; D238-K308 PolarHBondContact OD2-NZ 2.97Å
239E98.6Very high98Very high106 Ų10666.4 Ų66.450%0.49532%0.324SS..Hα-helixtrans-60.6-42.2172.2-69175.5175.700111.8P235 R242 F243P235-E239 WeakPolarHBondContact O-CG 3.4Å; P235-E239 PolarHBondContact O-N 3.25Å; E239-R242 PolarHBondContact O-N 2.8Å; E239-F243 VanDerWaalsContact O-CB 3.26Å; E239-F243 WeakPolarHBondContact O-CB 3.35Å; E239-F243 PolarHBondContact O-N 3.39Å
240G98.6Very high98Very high3 Ų364.5 Ų64.53%0.03131%0.312CS..Hα-helixtrans-63.3-47176.200000112.8Q236 V237 D238 R242 F243 I244Q236-G240 PolarHBondContact O-N 3.2Å; V237-G240 PolarHBondContact O-N 3.16Å; D238-G240 VanDerWaalsContact C-N 3.32Å; D238-G240 PolarHBondContact O-N 3.13Å; G240-R242 VanDerWaalsContact C-N 3.34Å; G240-R242 PolarHBondContact O-N 3.17Å; G240-F243 WeakPolarHBondContact O-CB 3.4Å; G240-F243 PolarHBondContact O-N 3.37Å; G240-I244 VanDerWaalsContact O-CG1 3.3Å; G240-I244 WeakPolarHBondContact O-CG1 3.17Å; G240-I244 PolarHBondContact O-N 2.92Å
241I98.8Very high98.1Very high9 Ų963.8 Ų63.85%0.04631%0.308CS..Hα-helixtrans-61.3-44.6176.4-66.8169.8000110.5F221 V237 D238 I244 S245 K308 L309 H312F221-I241 HydrophobicContact CE2-CG1 4.32Å; V237-I241 HydrophobicContact CG1-CD1 4.16Å; V237-I241 WeakPolarHBondContact O-CG1 3.45Å; V237-I241 PolarHBondContact O-N 3.21Å; D238-I241 PolarHBondContact O-N 3.28Å; I241-I244 PolarHBondContact O-N 3.18Å; I241-S245 WeakPolarHBondContact O-CB 3.38Å; I241-S245 PolarHBondContact O-N 3.11Å; I241-K308 HydrophobicContact CD1-CB 4.24Å; I241-K308 HydrophobicContact CD1-CD 4.04Å; I241-K308 HydrophobicContact CD1-CG 3.74Å; I241-L309 HydrophobicContact CG1-CB 4.38Å; I241-L309 HydrophobicContact CG1-CD1 3.94Å; I241-L309 HydrophobicContact CG2-CD1 4.48Å; I241-H312 HydrophobicContact CG2-CB 4.08Å
242R98.6Very high98.2Very high133 Ų13357.5 Ų57.550%0.50228%0.279SS..Hα-helixtrans-61.8-45176.7-176.7178.760.574.53.5111.5D238 E239 G240 I244 S245 E246D238-R242 WeakPolarHBondContact O-CB 3.12Å; D238-R242 PolarHBondContact O-N 2.77Å; E239-R242 PolarHBondContact O-N 2.8Å; G240-R242 VanDerWaalsContact C-N 3.34Å; G240-R242 PolarHBondContact O-N 3.17Å; R242-I244 VanDerWaalsContact C-N 3.33Å; R242-I244 PolarHBondContact O-N 3.47Å; R242-S245 PolarHBondContact O-N 3.45Å; R242-S245 VanDerWaalsContact O-N 3.11Å; R242-E246 WeakPolarHBondContact CD-OE1 2.89Å; R242-E246 HydrophobicContact CG-CG 4.28Å; R242-E246 WeakPolarHBondContact CG-OE1 3.44Å; R242-E246 IonicContact CZ-OE1 3.83Å; R242-E246 VanDerWaalsContact NH1-CD 3.34Å; R242-E246 IonicContact NH1-OE1 2.84Å; R242-E246 PolarHBondContact NH1-OE1 3.2Å; R242-E246 IonicContact NH1-OE2 3.12Å; R242-E246 PolarHBondContact NH1-OE2 3.25Å; R242-E246 VanDerWaalsContact NH1-OE2 3.12Å; R242-E246 WeakPolarHBondContact O-CB 3.48Å; R242-E246 WeakPolarHBondContact O-CG 3.49Å; R242-E246 PolarHBondContact O-N 3.1Å
243F98.4Very high98.2Very high61 Ų6154.9 Ų54.927%0.26827%0.265SS..Hα-helixtrans-56.2-44.5175.6165.1-90.9000112.4F146 A148 E239 G240 R247F146-F243 HydrophobicContact CD1-CE1 4.08Å; F146-F243 HydrophobicContact CD1-CZ 4.33Å; F146-F243 AromaticContact CE1-CE1 3.86Å; F146-F243 HydrophobicContact CE1-CE1 3.86Å; F146-F243 AromaticContact CE1-CZ 3.89Å; F146-F243 HydrophobicContact CE1-CZ 3.89Å; A148-F243 HydrophobicContact CB-CE2 4.11Å; A148-F243 HydrophobicContact CB-CZ 3.6Å; E239-F243 VanDerWaalsContact O-CB 3.26Å; E239-F243 WeakPolarHBondContact O-CB 3.35Å; E239-F243 PolarHBondContact O-N 3.39Å; G240-F243 WeakPolarHBondContact O-CB 3.4Å; G240-F243 PolarHBondContact O-N 3.37Å; F243-R247 VanDerWaalsContact CZ-NH2 3.29Å; F243-R247 VanDerWaalsContact O-CB 3.3Å; F243-R247 WeakPolarHBondContact O-CB 3.47Å; F243-R247 PolarHBondContact O-N 3.24Å
244I98.6Very high98.2Very high0 Ų049.4 Ų49.40%024%0.241CC..Hα-helixtrans-65.7-45175.6-60.5162.2000109.4F224 L226 G240 I241 R242 E246 R247 F248 L309 F313F224-I244 HydrophobicContact CB-CD1 3.87Å; F224-I244 HydrophobicContact CB-CG1 4.23Å; F224-I244 HydrophobicContact CD1-CD1 4.11Å; F224-I244 HydrophobicContact CD1-CG1 3.98Å; F224-I244 HydrophobicContact CD1-CG2 4.31Å; F224-I244 HydrophobicContact CD2-CD1 3.49Å; F224-I244 VanDerWaalsContact CD2-CD1 3.49Å; F224-I244 HydrophobicContact CD2-CG1 4.27Å; F224-I244 HydrophobicContact CE1-CG1 4.45Å; F224-I244 HydrophobicContact CE1-CG2 3.95Å; F224-I244 HydrophobicContact CE2-CD1 4.06Å; F224-I244 HydrophobicContact CE2-CG2 4.46Å; F224-I244 HydrophobicContact CG-CD1 3.55Å; F224-I244 HydrophobicContact CG-CG1 3.9Å; F224-I244 HydrophobicContact CZ-CG2 4.05Å; L226-I244 HydrophobicContact CD1-CD1 4.07Å; G240-I244 VanDerWaalsContact O-CG1 3.3Å; G240-I244 WeakPolarHBondContact O-CG1 3.17Å; G240-I244 PolarHBondContact O-N 2.92Å; I241-I244 PolarHBondContact O-N 3.18Å; R242-I244 VanDerWaalsContact C-N 3.33Å; R242-I244 PolarHBondContact O-N 3.47Å; I244-E246 VanDerWaalsContact C-N 3.33Å; I244-E246 PolarHBondContact O-N 3.31Å; I244-R247 PolarHBondContact O-N 2.97Å; I244-F248 HydrophobicContact CB-CD2 4.39Å; I244-F248 HydrophobicContact CG2-CD2 3.6Å; I244-F248 HydrophobicContact CG2-CE2 4.09Å; I244-F248 HydrophobicContact CG2-CG 4.42Å; I244-F248 WeakPolarHBondContact O-CD2 3.37Å; I244-F248 PolarHBondContact O-N 2.97Å; I244-L309 HydrophobicContact CD1-CD1 3.72Å; I244-F313 HydrophobicContact CB-CE2 4.24Å; I244-F313 HydrophobicContact CB-CZ 4.14Å; I244-F313 HydrophobicContact CG2-CE2 3.7Å; I244-F313 HydrophobicContact CG2-CZ 3.58Å
245S98.3Very high98.1Very high45 Ų4550.6 Ų50.632%0.31525%0.246SC..Hα-helixtrans-63.7-34.8-177.2-167.90000113.6I241 R242 H312I241-S245 WeakPolarHBondContact O-CB 3.38Å; I241-S245 PolarHBondContact O-N 3.11Å; R242-S245 PolarHBondContact O-N 3.45Å; R242-S245 VanDerWaalsContact O-N 3.11Å; S245-H312 WeakPolarHBondContact CB-NE2 3.24Å; S245-H312 PolarHBondContact OG-NE2 3.41Å
246E97.6Very high98.1Very high133 Ų13348.6 Ų48.662%0.62123%0.229SC*.Hα-helixtrans-77.8-28.5177.6-72170.5-176.100112R242 I244R242-E246 WeakPolarHBondContact CD-OE1 2.89Å; R242-E246 HydrophobicContact CG-CG 4.28Å; R242-E246 WeakPolarHBondContact CG-OE1 3.44Å; R242-E246 IonicContact CZ-OE1 3.83Å; R242-E246 VanDerWaalsContact NH1-CD 3.34Å; R242-E246 IonicContact NH1-OE1 2.84Å; R242-E246 PolarHBondContact NH1-OE1 3.2Å; R242-E246 IonicContact NH1-OE2 3.12Å; R242-E246 PolarHBondContact NH1-OE2 3.25Å; R242-E246 VanDerWaalsContact NH1-OE2 3.12Å; R242-E246 WeakPolarHBondContact O-CB 3.48Å; R242-E246 WeakPolarHBondContact O-CG 3.49Å; R242-E246 PolarHBondContact O-N 3.1Å; I244-E246 VanDerWaalsContact C-N 3.33Å; I244-E246 PolarHBondContact O-N 3.31Å
247R96.9Very high98.1Very high66 Ų6644.7 Ų44.725%0.24921%0.21CC..Hα-helixtrans-85.4-45.2-175.4-168.474.366.8108.34.8113.4Y161 F243 I244Y161-R247 WeakPolarHBondContact CB-O 2.96Å; Y161-R247 HydrophobicContact CD1-CG 4.03Å; Y161-R247 HydrophobicContact CE1-CG 4.4Å; Y161-R247 HydrophobicContact CG-CG 4.37Å; F243-R247 VanDerWaalsContact CZ-NH2 3.29Å; F243-R247 VanDerWaalsContact O-CB 3.3Å; F243-R247 WeakPolarHBondContact O-CB 3.47Å; F243-R247 PolarHBondContact O-N 3.24Å; I244-R247 PolarHBondContact O-N 2.97Å
248F98.1Very high98.1Very high11 Ų1146.7 Ų46.75%0.04822%0.219CC..  trans-89.8117-169.4-73-89.3000110.7M81 M83 F146 Y161 T163 F224 I244 L250 V251M81-F248 HydrophobicContact SD-CE1 4.22Å; M83-F248 HydrophobicContact CB-CE1 3.43Å; M83-F248 VanDerWaalsContact CB-CE1 3.43Å; M83-F248 HydrophobicContact CB-CZ 3.53Å; M83-F248 HydrophobicContact CG-CE1 4.4Å; M83-F248 HydrophobicContact CG-CZ 4.05Å; F146-F248 HydrophobicContact CE1-CE2 4.31Å; F146-F248 HydrophobicContact CE1-CZ 4.4Å; F146-F248 HydrophobicContact CZ-CZ 4.26Å; Y161-F248 HydrophobicContact CD1-CE1 4.38Å; T163-F248 HydrophobicContact CG2-CD1 3.77Å; T163-F248 HydrophobicContact CG2-CE1 4.15Å; T163-F248 HydrophobicContact CG2-CG 4.1Å; F224-F248 AromaticContact CD1-CE2 3.92Å; F224-F248 HydrophobicContact CD1-CE2 3.92Å; F224-F248 HydrophobicContact CD1-CZ 4.13Å; F224-F248 HydrophobicContact CE1-CD2 4.27Å; F224-F248 HydrophobicContact CE1-CE1 4.39Å; F224-F248 AromaticContact CE1-CE2 3.61Å; F224-F248 HydrophobicContact CE1-CE2 3.61Å; F224-F248 AromaticContact CE1-CZ 3.68Å; F224-F248 HydrophobicContact CE1-CZ 3.68Å; I244-F248 HydrophobicContact CB-CD2 4.39Å; I244-F248 HydrophobicContact CG2-CD2 3.6Å; I244-F248 HydrophobicContact CG2-CE2 4.09Å; I244-F248 HydrophobicContact CG2-CG 4.42Å; I244-F248 WeakPolarHBondContact O-CD2 3.37Å; I244-F248 PolarHBondContact O-N 2.97Å; F248-L250 VanDerWaalsContact C-N 3.3Å; F248-L250 PolarHBondContact O-N 3.23Å; F248-V251 HydrophobicContact CB-CG2 3.76Å
249H96.9Very high98.1Very high104 Ų10444.5 Ų44.548%0.48121%0.207SC..SBendtrans-67.6-35.3-179.6-65.277.1000111.5Y161 K320Y161-H249 PolarHBondContact N-ND1 3.36Å; Y161-H249 PolarHBondContact O-N 3.37Å; H249-K320 PolarHBondContact O-NZ 2.96Å
250L98.3Very high98.1Very high5 Ų539.5 Ų39.53%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-138.9124.9174.8-178.763.7000110.6Y161 I162 T163 F248 M252 L263 L264 K320Y161-L250 PolarHBondContact O-N 3.19Å; I162-L250 WeakPolarHBondContact CA-O 3.46Å; T163-L250 PolarHBondContact N-O 3.14Å; T163-L250 VanDerWaalsContact N-O 3.11Å; F248-L250 VanDerWaalsContact C-N 3.3Å; F248-L250 PolarHBondContact O-N 3.23Å; L250-M252 HydrophobicContact CD2-CG 3.97Å; L250-M252 HydrophobicContact CD2-SD 4.49Å; L250-M252 HydrophobicContact CG-CG 4.02Å; L250-L263 HydrophobicContact CD1-CB 4.08Å; L250-L263 HydrophobicContact CD1-CD1 4.36Å; L250-L263 HydrophobicContact CD2-CB 4.3Å; L250-L264 HydrophobicContact CD2-CB 3.8Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; L250-K320 HydrophobicContact CD1-CD 4.04Å
251V98.6Very high98.1Very high7 Ų739.3 Ų39.34%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-109.4109.7167.8-178.20000107.4T163 L165 F248 F313T163-V251 HydrophobicContact CG2-CB 4.15Å; T163-V251 HydrophobicContact CG2-CG1 3.84Å; T163-V251 HydrophobicContact CG2-CG2 3.78Å; L165-V251 HydrophobicContact CD1-CG1 3.62Å; L165-V251 HydrophobicContact CD2-CG1 4.45Å; L165-V251 HydrophobicContact CG-CG1 3.57Å; F248-V251 HydrophobicContact CB-CG2 3.76Å; V251-F313 HydrophobicContact CB-CB 4.41Å; V251-F313 HydrophobicContact CB-CD1 3.5Å; V251-F313 VanDerWaalsContact CB-CD1 3.5Å; V251-F313 HydrophobicContact CB-CE1 3.92Å; V251-F313 HydrophobicContact CB-CG 3.97Å; V251-F313 HydrophobicContact CG1-CB 3.93Å; V251-F313 HydrophobicContact CG1-CD1 3.78Å; V251-F313 HydrophobicContact CG1-CD2 4.22Å; V251-F313 HydrophobicContact CG1-CE1 4.39Å; V251-F313 HydrophobicContact CG1-CG 3.69Å; V251-F313 HydrophobicContact CG2-CD1 3.45Å; V251-F313 VanDerWaalsContact CG2-CD1 3.45Å; V251-F313 HydrophobicContact CG2-CE1 3.29Å; V251-F313 HydrophobicContact CG2-CE2 4.48Å; V251-F313 HydrophobicContact CG2-CG 4.15Å; V251-F313 HydrophobicContact CG2-CZ 3.85Å
252M98.8Very high98.1Very high0 Ų038.9 Ų38.90%018%0.179CC..EExtended strand (participates in β ladder)trans-80.3159.4179.3-63.2-169.8-63.900110.8F82 F93 I162 T163 I164 L165 L250 L264F82-M252 HydrophobicContact CE2-CE 4.41Å; F93-M252 HydrophobicContact CD1-CE 3.74Å; F93-M252 HydrophobicContact CD2-CE 4.09Å; F93-M252 HydrophobicContact CE1-CE 3.74Å; F93-M252 HydrophobicContact CE2-CE 4.18Å; F93-M252 HydrophobicContact CG-CE 3.9Å; F93-M252 HydrophobicContact CZ-CE 3.98Å; I162-M252 HydrophobicContact CG2-CE 4.03Å; T163-M252 WeakPolarHBondContact O-CB 3.29Å; T163-M252 PolarHBondContact O-N 2.97Å; I164-M252 CarbonylContact C-O 3.14Å; I164-M252 WeakPolarHBondContact CA-O 3.47Å; I164-M252 HydrophobicContact CB-CB 3.95Å; I164-M252 HydrophobicContact CB-CE 4.11Å; I164-M252 HydrophobicContact CD1-CB 4.15Å; I164-M252 HydrophobicContact CD1-CE 4.42Å; I164-M252 HydrophobicContact CG1-CB 3.86Å; L165-M252 PolarHBondContact N-O 2.83Å; L250-M252 HydrophobicContact CD2-CG 3.97Å; L250-M252 HydrophobicContact CD2-SD 4.49Å; L250-M252 HydrophobicContact CG-CG 4.02Å; M252-L264 HydrophobicContact SD-CB 4.41Å; M252-L264 HydrophobicContact SD-CD1 4.46Å
253L98.6Very high98.1Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-124.5132175.8-58.2176.5000110L165 E255 H256 F257 S260 Y310 N314 F317L165-L253 HydrophobicContact CB-CD2 4.11Å; L165-L253 WeakPolarHBondContact O-CA 3.5Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 2.8Å; L253-H256 HydrophobicContact CB-CB 4.48Å; L253-H256 CarbonylContact O-C 3.51Å; L253-H256 PolarHBondContact O-N 3.19Å; L253-H256 VanDerWaalsContact O-N 3.13Å; L253-F257 WeakPolarHBondContact O-CA 3.31Å; L253-F257 PolarHBondContact O-N 3.48Å; L253-F257 VanDerWaalsContact O-N 3.11Å; L253-S260 PolarHBondContact N-OG 2.82Å; L253-S260 PolarHBondContact O-OG 3.04Å; L253-Y310 HydrophobicContact CD2-CD2 4.24Å; L253-Y310 HydrophobicContact CD2-CE2 3.8Å; L253-N314 HydrophobicContact CD1-CB 4.31Å; L253-F317 HydrophobicContact CD1-CB 3.76Å; L253-F317 HydrophobicContact CD1-CD1 3.84Å; L253-F317 HydrophobicContact CD1-CD2 4.18Å; L253-F317 HydrophobicContact CD1-CG 3.66Å; L253-F317 HydrophobicContact CG-CB 4.38Å; L253-F317 HydrophobicContact CG-CD2 4.17Å; L253-F317 HydrophobicContact CG-CG 4.15Å
254V97Very high98.1Very high32 Ų3230.2 Ų30.219%0.19415%0.146CC..G310 helixtrans-61.8-36.7179.4171.90000112T88 A89 I164 L165 R166 H256 F257T88-V254 WeakPolarHBondContact O-CG2 3.49Å; A89-V254 HydrophobicContact CB-CG1 4.28Å; A89-V254 HydrophobicContact CB-CG2 4.17Å; I164-V254 HydrophobicContact CD1-CG2 3.77Å; I164-V254 HydrophobicContact CG1-CG2 3.9Å; L165-V254 WeakPolarHBondContact O-CG2 3.06Å; L165-V254 PolarHBondContact O-N 3.27Å; R166-V254 HydrophobicContact CB-CB 4.15Å; R166-V254 HydrophobicContact CB-CG2 3.93Å; R166-V254 HydrophobicContact CG-CB 4.05Å; R166-V254 HydrophobicContact CG-CG1 4.35Å; R166-V254 HydrophobicContact CG-CG2 4.24Å; V254-H256 PolarHBondContact O-N 3Å; V254-F257 WeakPolarHBondContact O-CB 3.37Å; V254-F257 PolarHBondContact O-N 3.46Å
255E96.3Very high98.1Very high71 Ų7132.1 Ų32.133%0.33215%0.154SC..G310 helixtrans-63.8-24.1179.3-64.568.9-153.200111.8R166 D167 L253 Y310R166-E255 VanDerWaalsContact CG-OE1 3.3Å; R166-E255 WeakPolarHBondContact CG-OE1 3.23Å; D167-E255 WeakPolarHBondContact CB-OE1 3.21Å; D167-E255 PolarHBondContact N-OE1 3.29Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 2.8Å; E255-Y310 PolarHBondContact OE2-OH 2.97Å
256H97.9Very high98Very high44 Ų4433.7 Ų33.720%0.20416%0.159CC..G310 helixtrans-126.544.1179-56.4-54.8000109.9L253 V254 E258 E259 S260 F317 W318L253-H256 HydrophobicContact CB-CB 4.48Å; L253-H256 CarbonylContact O-C 3.51Å; L253-H256 PolarHBondContact O-N 3.19Å; L253-H256 VanDerWaalsContact O-N 3.13Å; V254-H256 PolarHBondContact O-N 3Å; H256-E258 VanDerWaalsContact C-N 3.3Å; H256-E258 PolarHBondContact O-N 2.85Å; H256-E259 WeakPolarHBondContact CA-OE2 3.34Å; H256-E259 HydrophobicContact CB-CB 4.28Å; H256-E259 PolarHBondContact O-N 2.96Å; H256-S260 VanDerWaalsContact O-CB 3.26Å; H256-S260 WeakPolarHBondContact O-CB 3.43Å; H256-S260 PolarHBondContact O-N 3.36Å; H256-S260 PolarHBondContact O-OG 2.9Å; H256-F317 HydrophobicContact CB-CE1 3.63Å; H256-F317 HydrophobicContact CB-CZ 3.6Å; H256-F317 AromaticContact CD2-CE1 3.99Å; H256-F317 AromaticContact CG-CE1 3.95Å; H256-W318 AromaticContact CD2-CZ2 3.92Å; H256-W318 AromaticContact CE1-CZ2 3.55Å; H256-W318 AromaticContact ND1-CZ2 3.95Å; H256-W318 AromaticContact NE2-CZ2 3.5Å; H256-W318 WeakPolarHBondContact NE2-CZ2 3.48Å; H256-W318 AromaticContact NE2-NE1 3.94Å
257F98.2Very high98Very high24 Ų2429.6 Ų29.611%0.10515%0.148CC..Hα-helixtrans-59.8-39.2-170.6-171.4-102.6000112.6T92 F93 I164 L253 V254 S260 L261 F277T92-F257 HydrophobicContact CG2-CE1 3.96Å; T92-F257 HydrophobicContact CG2-CZ 3.83Å; F93-F257 HydrophobicContact CB-CZ 4.49Å; I164-F257 HydrophobicContact CD1-CD2 3.69Å; I164-F257 HydrophobicContact CD1-CE2 3.74Å; L253-F257 WeakPolarHBondContact O-CA 3.31Å; L253-F257 PolarHBondContact O-N 3.48Å; L253-F257 VanDerWaalsContact O-N 3.11Å; V254-F257 WeakPolarHBondContact O-CB 3.37Å; V254-F257 PolarHBondContact O-N 3.46Å; F257-S260 WeakPolarHBondContact O-CB 3.37Å; F257-S260 PolarHBondContact O-N 2.81Å; F257-L261 HydrophobicContact CD1-CD1 4.05Å; F257-L261 HydrophobicContact CD1-CG 4.4Å; F257-L261 HydrophobicContact CE1-CD1 3.61Å; F257-L261 HydrophobicContact CE1-CG 4.13Å; F257-L261 HydrophobicContact CZ-CD1 4.25Å; F257-L261 HydrophobicContact CZ-CD2 4.44Å; F257-L261 HydrophobicContact CZ-CG 4.44Å; F257-L261 WeakPolarHBondContact O-CG 3.14Å; F257-L261 PolarHBondContact O-N 3.39Å; F257-F277 HydrophobicContact CD1-CE1 4.17Å; F257-F277 AromaticContact CD1-CE2 3.93Å; F257-F277 HydrophobicContact CD1-CE2 3.93Å; F257-F277 AromaticContact CD1-CZ 3.69Å; F257-F277 HydrophobicContact CD1-CZ 3.69Å; F257-F277 HydrophobicContact CE1-CD1 4.22Å; F257-F277 AromaticContact CE1-CD2 3.95Å; F257-F277 HydrophobicContact CE1-CD2 3.95Å; F257-F277 HydrophobicContact CE1-CE1 4Å; F257-F277 AromaticContact CE1-CE2 3.72Å; F257-F277 HydrophobicContact CE1-CE2 3.72Å; F257-F277 HydrophobicContact CE1-CG 4.21Å; F257-F277 AromaticContact CE1-CZ 3.75Å; F257-F277 HydrophobicContact CE1-CZ 3.75Å
258E98.4Very high98Very high42 Ų4226.6 Ų26.620%0.19614%0.137CC..Hα-helixtrans-73.3-43.8-178.4-66.6168139.800111.2H256 S260 L261 I262 F277 V333 L336 R337H256-E258 VanDerWaalsContact C-N 3.3Å; H256-E258 PolarHBondContact O-N 2.85Å; E258-S260 PolarHBondContact O-N 3.15Å; E258-L261 PolarHBondContact O-N 3.39Å; E258-I262 WeakPolarHBondContact O-CG1 3.29Å; E258-I262 PolarHBondContact O-N 3.33Å; E258-F277 HydrophobicContact CG-CE1 4.41Å; E258-F277 HydrophobicContact CG-CZ 4.1Å; E258-V333 HydrophobicContact CB-CG1 4.05Å; E258-V333 HydrophobicContact CB-CG2 4.39Å; E258-L336 HydrophobicContact CB-CD2 4.33Å; E258-R337 WeakPolarHBondContact OE1-CG 3.38Å; E258-R337 IonicContact OE1-NE 3.77Å; E258-R337 PolarHBondContact OE1-NE 3.38Å; E258-R337 IonicContact OE2-CZ 2.68Å; E258-R337 IonicContact OE2-NE 3.21Å; E258-R337 PolarHBondContact OE2-NE 3.07Å; E258-R337 IonicContact OE2-NH2 3.88Å; E258-R337 PolarHBondContact OE2-NH2 3.21Å
259E98.8Very high97.9Very high39 Ų3927.4 Ų27.418%0.18214%0.143CC..Hα-helixtrans-59.2-39.3170.6-65.478.5-177.100111.2H256 L261 I262 L263 F317 M329 V333H256-E259 WeakPolarHBondContact CA-OE2 3.34Å; H256-E259 HydrophobicContact CB-CB 4.28Å; H256-E259 PolarHBondContact O-N 2.96Å; E259-L261 VanDerWaalsContact C-N 3.35Å; E259-L261 PolarHBondContact O-N 3.01Å; E259-I262 PolarHBondContact O-N 3.27Å; E259-L263 PolarHBondContact O-N 2.98Å; E259-F317 HydrophobicContact CB-CE1 4.49Å; E259-F317 HydrophobicContact CB-CZ 3.88Å; E259-M329 HydrophobicContact CB-CG 4.45Å; E259-M329 HydrophobicContact CB-SD 3.88Å; E259-M329 HydrophobicContact CG-CG 3.96Å; E259-M329 HydrophobicContact CG-SD 3.98Å; E259-V333 HydrophobicContact CG-CG2 4.03Å
260S98.7Very high97.9Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-60.7-42.5175.8-65.30000112L253 H256 F257 E258 L263 L264 F317L253-S260 PolarHBondContact N-OG 2.82Å; L253-S260 PolarHBondContact O-OG 3.04Å; H256-S260 VanDerWaalsContact O-CB 3.26Å; H256-S260 WeakPolarHBondContact O-CB 3.43Å; H256-S260 PolarHBondContact O-N 3.36Å; H256-S260 PolarHBondContact O-OG 2.9Å; F257-S260 WeakPolarHBondContact O-CB 3.37Å; F257-S260 PolarHBondContact O-N 2.81Å; E258-S260 PolarHBondContact O-N 3.15Å; S260-L263 PolarHBondContact O-N 2.85Å; S260-L264 WeakPolarHBondContact O-CB 3.35Å; S260-L264 PolarHBondContact O-N 3.37Å; S260-F317 VanDerWaalsContact OG-CE2 3.28Å; S260-F317 WeakPolarHBondContact OG-CE2 3.46Å
261L98.7Very high97.8Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-67.7-34.3175.1-69.3-178.4000112.2F93 I96 F257 E258 E259 L264 K265 L275 F277 L336F93-L261 HydrophobicContact CD2-CD2 3.9Å; F93-L261 HydrophobicContact CE2-CD2 4.11Å; I96-L261 HydrophobicContact CD1-CD1 3.99Å; I96-L261 HydrophobicContact CD1-CD2 3.88Å; F257-L261 HydrophobicContact CD1-CD1 4.05Å; F257-L261 HydrophobicContact CD1-CG 4.4Å; F257-L261 HydrophobicContact CE1-CD1 3.61Å; F257-L261 HydrophobicContact CE1-CG 4.13Å; F257-L261 HydrophobicContact CZ-CD1 4.25Å; F257-L261 HydrophobicContact CZ-CD2 4.44Å; F257-L261 HydrophobicContact CZ-CG 4.44Å; F257-L261 WeakPolarHBondContact O-CG 3.14Å; F257-L261 PolarHBondContact O-N 3.39Å; E258-L261 PolarHBondContact O-N 3.39Å; E259-L261 VanDerWaalsContact C-N 3.35Å; E259-L261 PolarHBondContact O-N 3.01Å; L261-L264 HydrophobicContact CD2-CD2 4.09Å; L261-L264 WeakPolarHBondContact O-CB 3.4Å; L261-L264 PolarHBondContact O-N 2.78Å; L261-K265 WeakPolarHBondContact O-CB 3.12Å; L261-K265 PolarHBondContact O-N 3.07Å; L261-L275 HydrophobicContact CB-CD1 4.48Å; L261-L275 VanDerWaalsContact O-CD1 3.31Å; L261-L275 WeakPolarHBondContact O-CD1 3.4Å; L261-F277 HydrophobicContact CD1-CD1 3.42Å; L261-F277 VanDerWaalsContact CD1-CD1 3.42Å; L261-F277 HydrophobicContact CD1-CE1 3.43Å; L261-F277 VanDerWaalsContact CD1-CE1 3.43Å; L261-F277 HydrophobicContact CD1-CG 4.37Å; L261-F277 HydrophobicContact CD1-CZ 4.37Å; L261-L336 HydrophobicContact CB-CD2 4.18Å; L261-L336 HydrophobicContact CD1-CD2 4.29Å
262I98.8Very high97.7Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-66.9-41.6173.8-63.1-48.7000111.4E258 E259 L264 K265 D266 L272 Y324 M329 D332 V333 L336E258-I262 WeakPolarHBondContact O-CG1 3.29Å; E258-I262 PolarHBondContact O-N 3.33Å; E259-I262 PolarHBondContact O-N 3.27Å; I262-L264 VanDerWaalsContact C-N 3.31Å; I262-L264 PolarHBondContact O-N 2.77Å; I262-K265 WeakPolarHBondContact O-CB 3.4Å; I262-K265 PolarHBondContact O-N 2.69Å; I262-D266 PolarHBondContact O-N 2.03Å; I262-D266 VanDerWaalsContact O-N 3.15Å; I262-L272 HydrophobicContact CD1-CD1 3.94Å; I262-Y324 HydrophobicContact CG2-CE1 3.76Å; I262-Y324 HydrophobicContact CG2-CE2 4.17Å; I262-Y324 WeakPolarHBondContact CG2-OH 3.1Å; I262-M329 HydrophobicContact CB-CE 4.3Å; I262-M329 HydrophobicContact CB-SD 3.7Å; I262-M329 HydrophobicContact CG1-SD 4.26Å; I262-M329 HydrophobicContact CG2-CE 4.02Å; I262-M329 HydrophobicContact CG2-SD 3.66Å; I262-D332 HydrophobicContact CD1-CB 3.96Å; I262-D332 HydrophobicContact CG1-CB 4.16Å; I262-D332 HydrophobicContact CG2-CB 3.98Å; I262-V333 HydrophobicContact CG1-CG2 3.83Å; I262-L336 HydrophobicContact CD1-CB 4.36Å; I262-L336 HydrophobicContact CD1-CD2 4.13Å
263L98.8Very high97.5Very high12 Ų1233.6 Ų33.66%0.06318%0.176CC..Hα-helixtrans-63.8-38.4173.1-69.4-178.9000112L250 E259 S260 D266 A267 F317 K320 V321 Y324 M329L250-L263 HydrophobicContact CD1-CB 4.08Å; L250-L263 HydrophobicContact CD1-CD1 4.36Å; L250-L263 HydrophobicContact CD2-CB 4.3Å; E259-L263 PolarHBondContact O-N 2.98Å; S260-L263 PolarHBondContact O-N 2.85Å; L263-D266 PolarHBondContact O-N 2.85Å; L263-A267 VanDerWaalsContact O-CB 3.27Å; L263-A267 WeakPolarHBondContact O-CB 3.32Å; L263-A267 PolarHBondContact O-N 3.14Å; L263-F317 HydrophobicContact CD1-CD2 4.01Å; L263-F317 HydrophobicContact CD1-CE2 3.68Å; L263-F317 HydrophobicContact CD1-CZ 4.2Å; L263-K320 HydrophobicContact CD1-CB 3.87Å; L263-K320 HydrophobicContact CD2-CB 4.27Å; L263-V321 HydrophobicContact CD1-CG2 4.02Å; L263-Y324 HydrophobicContact CD2-CD2 4.4Å; L263-Y324 HydrophobicContact CD2-CG 4.23Å; L263-M329 HydrophobicContact CD2-CE 3.62Å; L263-M329 HydrophobicContact CG-CE 3.79Å
264L98.6Very high97.4Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-61.1-45.4173.5-177.282.6000111.4F93 I162 L250 M252 S260 L261 I262 D266 A267 L268 W270 L275F93-L264 HydrophobicContact CD2-CD2 4.37Å; F93-L264 HydrophobicContact CE2-CD2 3.23Å; F93-L264 HydrophobicContact CZ-CD1 4.08Å; F93-L264 HydrophobicContact CZ-CD2 3.56Å; F93-L264 HydrophobicContact CZ-CG 4.49Å; I162-L264 HydrophobicContact CD1-CD1 3.41Å; I162-L264 VanDerWaalsContact CD1-CD1 3.41Å; I162-L264 HydrophobicContact CG1-CD1 4.29Å; I162-L264 HydrophobicContact CG2-CD1 3.9Å; L250-L264 HydrophobicContact CD2-CB 3.8Å; L250-L264 HydrophobicContact CD2-CD1 3.92Å; M252-L264 HydrophobicContact SD-CB 4.41Å; M252-L264 HydrophobicContact SD-CD1 4.46Å; S260-L264 WeakPolarHBondContact O-CB 3.35Å; S260-L264 PolarHBondContact O-N 3.37Å; L261-L264 HydrophobicContact CD2-CD2 4.09Å; L261-L264 WeakPolarHBondContact O-CB 3.4Å; L261-L264 PolarHBondContact O-N 2.78Å; I262-L264 VanDerWaalsContact C-N 3.31Å; I262-L264 PolarHBondContact O-N 2.77Å; L264-D266 VanDerWaalsContact C-N 3.26Å; L264-D266 PolarHBondContact O-N 2.97Å; L264-A267 PolarHBondContact O-N 2.96Å; L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CG 4.14Å; L264-L268 HydrophobicContact CG-CD1 3.91Å; L264-L268 HydrophobicContact CG-CG 4.37Å; L264-L268 WeakPolarHBondContact O-CB 3.14Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.07Å; L264-W270 HydrophobicContact CD2-CZ3 4.43Å; L264-L275 HydrophobicContact CD2-CD2 3.93Å
265K97.9Very high97.5Very high40 Ų4033 Ų3317%0.17417%0.172CC..Hα-helixtrans-50.3-50.6176.1-163.2-174.8157.8-64.10111.3L261 I262 C269 W270 L272 L275L261-K265 WeakPolarHBondContact O-CB 3.12Å; L261-K265 PolarHBondContact O-N 3.07Å; I262-K265 WeakPolarHBondContact O-CB 3.4Å; I262-K265 PolarHBondContact O-N 2.69Å; K265-C269 WeakPolarHBondContact O-CA 3.45Å; K265-C269 PolarHBondContact O-N 3.01Å; K265-W270 VanDerWaalsContact CE-O 3.32Å; K265-W270 WeakPolarHBondContact CE-O 3.19Å; K265-W270 WeakPolarHBondContact CG-O 3.31Å; K265-W270 PolarHBondContact NZ-O 3.44Å; K265-W270 PolarHBondContact O-N 2.94Å; K265-L272 HydrophobicContact CD-CB 4.44Å; K265-L272 HydrophobicContact CD-CD1 4.19Å; K265-L275 HydrophobicContact CB-CD1 3.46Å; K265-L275 VanDerWaalsContact CB-CD1 3.46Å; K265-L275 HydrophobicContact CD-CD1 4.02Å; K265-L275 HydrophobicContact CG-CD1 3.66Å
266D97.1Very high97.6Very high77 Ų7729.9 Ų29.941%0.41216%0.157SC..Hα-helixtrans-69.8-45.6-176.8-163.678000110.8I262 L263 L264 L268 C269 Y324 R328I262-D266 PolarHBondContact O-N 2.03Å; I262-D266 VanDerWaalsContact O-N 3.15Å; L263-D266 PolarHBondContact O-N 2.85Å; L264-D266 VanDerWaalsContact C-N 3.26Å; L264-D266 PolarHBondContact O-N 2.97Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 2.89Å; D266-C269 PolarHBondContact O-N 2.67Å; D266-Y324 HydrophobicContact CB-CD2 4.06Å; D266-Y324 HydrophobicContact CB-CE2 3.77Å; D266-Y324 WeakPolarHBondContact OD1-CE2 3.09Å; D266-R328 IonicContact OD1-CZ 3.15Å; D266-R328 IonicContact OD1-NH1 2.69Å; D266-R328 IonicContact OD1-NH2 2.93Å; D266-R328 PolarHBondContact OD1-NH2 3.26Å
267A96.1Very high97.5Very high48 Ų4829 Ų2940%0.39715%0.152SC..Hα-helixtrans-64.4-31.8-179.600000113.9L263 L264L263-A267 VanDerWaalsContact O-CB 3.27Å; L263-A267 WeakPolarHBondContact O-CB 3.32Å; L263-A267 PolarHBondContact O-N 3.14Å; L264-A267 PolarHBondContact O-N 2.96Å
268L96.7Very high97.4Very high2 Ų228.4 Ų28.41%0.0115%0.15CC..Hα-helixtrans-104.2-2.4-178-58.5-174.4000114P76 K77 I80 I162 L264 D266 W270P76-L268 WeakPolarHBondContact CA-O 3.24Å; K77-L268 HydrophobicContact CB-CB 4.36Å; K77-L268 HydrophobicContact CB-CD2 4.06Å; K77-L268 HydrophobicContact CD-CD2 4.19Å; K77-L268 PolarHBondContact N-O 3.11Å; I80-L268 HydrophobicContact CD1-CD1 3.83Å; I80-L268 HydrophobicContact CG1-CD1 4.35Å; I162-L268 HydrophobicContact CD1-CD1 3.7Å; I162-L268 HydrophobicContact CD1-CD2 3.91Å; I162-L268 HydrophobicContact CD1-CG 4.16Å; L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CG 4.14Å; L264-L268 HydrophobicContact CG-CD1 3.91Å; L264-L268 HydrophobicContact CG-CG 4.37Å; L264-L268 WeakPolarHBondContact O-CB 3.14Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.07Å; D266-L268 VanDerWaalsContact C-N 3.31Å; D266-L268 PolarHBondContact O-N 2.89Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 VanDerWaalsContact CB-CD1 3.47Å; L268-W270 HydrophobicContact CB-CD2 4.15Å; L268-W270 HydrophobicContact CB-CG 3.86Å; L268-W270 HydrophobicContact CD1-CD2 4.02Å; L268-W270 HydrophobicContact CD1-CE3 4.46Å; L268-W270 HydrophobicContact CD1-CH2 4.28Å; L268-W270 HydrophobicContact CD1-CZ2 3.83Å; L268-W270 PolarHBondContact O-N 3.01Å
269C96.3Very high97.2Very high28 Ų2832.1 Ų32.119%0.18917%0.165CC..THydrogen-bonded Turntrans55.144.8-173.1-69.20000112.9C74 P76 K265 D266C74-C269 HydrophobicContact CB-CB 4.01Å; C74-C269 WeakPolarHBondContact CB-SG 3.45Å; C74-C269 WeakPolarHBondContact SG-CB 3.46Å; C74-C269 CovalentContact SG-SG 2.03Å; C74-C269 PolarHBondContact SG-SG 2.89Å; P76-C269 WeakPolarHBondContact CA-O 3.26Å; K265-C269 WeakPolarHBondContact O-CA 3.45Å; K265-C269 PolarHBondContact O-N 3.01Å; D266-C269 PolarHBondContact O-N 2.67Å
270W97Very high96.8Very high1 Ų130.9 Ų30.90%0.00416%0.16CC..  trans-92.2159.9178-73.59.8000111.9K77 I80 I96 L97 F100 L264 K265 L268 D274 L275K77-W270 PolarHBondContact O-NE1 3.42Å; I80-W270 HydrophobicContact CD1-CH2 3.76Å; I80-W270 HydrophobicContact CD1-CZ2 3.18Å; I96-W270 HydrophobicContact CG2-CZ3 3.94Å; L97-W270 HydrophobicContact CD2-CH2 3.84Å; F100-W270 HydrophobicContact CB-CH2 3.8Å; F100-W270 HydrophobicContact CB-CZ2 4.27Å; F100-W270 HydrophobicContact CB-CZ3 4.26Å; F100-W270 AromaticContact CD1-CH2 3.68Å; F100-W270 HydrophobicContact CD1-CH2 3.68Å; F100-W270 AromaticContact CD1-CZ2 3.28Å; F100-W270 HydrophobicContact CD1-CZ2 3.28Å; F100-W270 AromaticContact CD2-CD2 3.96Å; F100-W270 HydrophobicContact CD2-CD2 3.96Å; F100-W270 AromaticContact CD2-CE2 3.71Å; F100-W270 HydrophobicContact CD2-CE3 4.1Å; F100-W270 AromaticContact CD2-CH2 3.75Å; F100-W270 HydrophobicContact CD2-CH2 3.75Å; F100-W270 AromaticContact CD2-CZ2 3.56Å; F100-W270 HydrophobicContact CD2-CZ2 3.56Å; F100-W270 HydrophobicContact CD2-CZ3 4.03Å; F100-W270 AromaticContact CE1-CE2 3.75Å; F100-W270 HydrophobicContact CE1-CH2 4.18Å; F100-W270 AromaticContact CE1-CZ2 3.31Å; F100-W270 HydrophobicContact CE1-CZ2 3.31Å; F100-W270 AromaticContact CE1-NE1 3.89Å; F100-W270 AromaticContact CE2-CD1 3.89Å; F100-W270 AromaticContact CE2-CD2 3.75Å; F100-W270 HydrophobicContact CE2-CD2 3.75Å; F100-W270 AromaticContact CE2-CE2 3.34Å; F100-W270 HydrophobicContact CE2-CE3 4.36Å; F100-W270 HydrophobicContact CE2-CG 4.06Å; F100-W270 HydrophobicContact CE2-CH2 4.24Å; F100-W270 AromaticContact CE2-CZ2 3.59Å; F100-W270 HydrophobicContact CE2-CZ2 3.59Å; F100-W270 AromaticContact CE2-NE1 3.48Å; F100-W270 AromaticContact CG-CH2 3.43Å; F100-W270 HydrophobicContact CG-CH2 3.43Å; F100-W270 VanDerWaalsContact CG-CH2 3.43Å; F100-W270 AromaticContact CG-CZ2 3.41Å; F100-W270 HydrophobicContact CG-CZ2 3.41Å; F100-W270 VanDerWaalsContact CG-CZ2 3.41Å; F100-W270 HydrophobicContact CG-CZ3 4.07Å; F100-W270 AromaticContact CZ-CD1 3.98Å; F100-W270 HydrophobicContact CZ-CD2 4.23Å; F100-W270 AromaticContact CZ-CE2 3.37Å; F100-W270 HydrophobicContact CZ-CH2 4.44Å; F100-W270 AromaticContact CZ-CZ2 3.47Å; F100-W270 HydrophobicContact CZ-CZ2 3.47Å; F100-W270 VanDerWaalsContact CZ-CZ2 3.47Å; F100-W270 AromaticContact CZ-NE1 3.23Å; L264-W270 HydrophobicContact CD2-CZ3 4.43Å; K265-W270 VanDerWaalsContact CE-O 3.32Å; K265-W270 WeakPolarHBondContact CE-O 3.19Å; K265-W270 WeakPolarHBondContact CG-O 3.31Å; K265-W270 PolarHBondContact NZ-O 3.44Å; K265-W270 PolarHBondContact O-N 2.94Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 VanDerWaalsContact CB-CD1 3.47Å; L268-W270 HydrophobicContact CB-CD2 4.15Å; L268-W270 HydrophobicContact CB-CG 3.86Å; L268-W270 HydrophobicContact CD1-CD2 4.02Å; L268-W270 HydrophobicContact CD1-CE3 4.46Å; L268-W270 HydrophobicContact CD1-CH2 4.28Å; L268-W270 HydrophobicContact CD1-CZ2 3.83Å; L268-W270 PolarHBondContact O-N 3.01Å; W270-D274 HydrophobicContact CE3-CB 4.3Å; W270-L275 HydrophobicContact CE3-CD2 3.73Å; W270-L275 HydrophobicContact CZ3-CD2 4.24Å
271E96.2Very high96.3Very high121 Ų12133.5 Ų33.557%0.56517%0.174SC*.  trans-84154.3172.8-65.4-58.2138.400110.9D273 D274E271-D273 PolarHBondContact O-N 3.18Å; E271-D274 WeakPolarHBondContact O-CB 3.36Å; E271-D274 PolarHBondContact O-N 2.82Å; E271-D274 VanDerWaalsContact O-N 3.14Å
272L96.6Very high95.7Very high30 Ų3034.3 Ų34.316%0.15718%0.181CC..G310 helixtrans-62.5-34.9179.2-17068.8000111.8I262 K265 D274 L275 E335 L336 R339I262-L272 HydrophobicContact CD1-CD1 3.94Å; K265-L272 HydrophobicContact CD-CB 4.44Å; K265-L272 HydrophobicContact CD-CD1 4.19Å; L272-D274 PolarHBondContact O-N 3.31Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 2.81Å; L272-E335 HydrophobicContact CD2-CB 4.19Å; L272-E335 HydrophobicContact CD2-CG 3.58Å; L272-L336 HydrophobicContact CD1-CB 4.11Å; L272-L336 HydrophobicContact CD1-CD1 4.05Å; L272-R339 HydrophobicContact CD2-CG 4.29Å
273D95.8Very high95.1Very high95 Ų9536.4 Ų36.451%0.50819%0.189SC..G310 helixtrans-64.7-23.8178.6-79.8-23.1000112.9E271 L275 R339E271-D273 PolarHBondContact O-N 3.18Å; D273-L275 PolarHBondContact O-N 3.29Å; D273-R339 IonicContact OD1-CZ 2.7Å; D273-R339 IonicContact OD1-NE 3.7Å; D273-R339 IonicContact OD1-NH2 3.93Å; D273-R339 PolarHBondContact OD1-NH2 3.25Å
274D96.5Very high94.1Very high20 Ų2040.9 Ų40.911%0.10721%0.208CC..G310 helixtrans-72.1-18.7174.6-67.6-41.2000112.3I96 F100 K103 W270 E271 L272I96-D274 WeakPolarHBondContact CG2-O 3.46Å; F100-D274 HydrophobicContact CD2-CB 4.15Å; K103-D274 WeakPolarHBondContact CD-OD1 3.34Å; K103-D274 IonicContact NZ-OD1 3.21Å; K103-D274 PolarHBondContact NZ-OD1 2.91Å; K103-D274 IonicContact NZ-OD2 3.04Å; K103-D274 PolarHBondContact NZ-OD2 2.92Å; W270-D274 HydrophobicContact CE3-CB 4.3Å; E271-D274 WeakPolarHBondContact O-CB 3.36Å; E271-D274 PolarHBondContact O-N 2.82Å; E271-D274 VanDerWaalsContact O-N 3.14Å; L272-D274 PolarHBondContact O-N 3.31Å
275L97.7Very high92.8Very high0 Ų043.3 Ų43.30%023%0.233CC..G310 helixtrans-99.5-7.1-174.1-58.1176.6000113.9I96 L261 L264 K265 W270 L272 D273 F277 L336I96-L275 HydrophobicContact CG2-CD2 4.4Å; L261-L275 HydrophobicContact CB-CD1 4.48Å; L261-L275 VanDerWaalsContact O-CD1 3.31Å; L261-L275 WeakPolarHBondContact O-CD1 3.4Å; L264-L275 HydrophobicContact CD2-CD2 3.93Å; K265-L275 HydrophobicContact CB-CD1 3.46Å; K265-L275 VanDerWaalsContact CB-CD1 3.46Å; K265-L275 HydrophobicContact CD-CD1 4.02Å; K265-L275 HydrophobicContact CG-CD1 3.66Å; W270-L275 HydrophobicContact CE3-CD2 3.73Å; W270-L275 HydrophobicContact CZ3-CD2 4.24Å; L272-L275 WeakPolarHBondContact O-CB 3.47Å; L272-L275 PolarHBondContact O-N 2.81Å; D273-L275 PolarHBondContact O-N 3.29Å; L275-F277 WeakPolarHBondContact O-CD1 3.38Å; L275-F277 PolarHBondContact O-N 3.08Å; L275-L336 HydrophobicContact CB-CD1 4.35Å
276L98Very high91.3Very high4 Ų443.7 Ų43.72%0.02124%0.241CC..  trans-58135.6-178.5-55.7-174.8000110R99 L336 R339 N340 M343 M395R99-L276 PolarHBondContact NH1-O 2.89Å; R99-L276 PolarHBondContact NH2-O 3.44Å; L276-L336 HydrophobicContact CD2-CD1 4.07Å; L276-R339 HydrophobicContact CD2-CB 3.47Å; L276-R339 VanDerWaalsContact CD2-CB 3.47Å; L276-R339 HydrophobicContact CD2-CG 4.44Å; L276-N340 VanDerWaalsContact CA-OD1 3.22Å; L276-N340 WeakPolarHBondContact CA-OD1 3.35Å; L276-M343 HydrophobicContact CD1-CE 3.96Å; L276-M395 HydrophobicContact CB-CE 3.99Å
277F97.3Very high89.1Confident25 Ų2546.5 Ų46.511%0.1126%0.26CS..  trans-147.7158-171.970.9-88.6000112.6T92 I96 F257 E258 L261 L275 L336 N340T92-F277 HydrophobicContact CG2-CB 3.94Å; T92-F277 HydrophobicContact CG2-CD2 3.52Å; T92-F277 HydrophobicContact CG2-CE2 4.36Å; T92-F277 HydrophobicContact CG2-CG 4Å; I96-F277 HydrophobicContact CD1-CB 3.94Å; I96-F277 HydrophobicContact CG1-CB 4.14Å; F257-F277 HydrophobicContact CD1-CE1 4.17Å; F257-F277 AromaticContact CD1-CE2 3.93Å; F257-F277 HydrophobicContact CD1-CE2 3.93Å; F257-F277 AromaticContact CD1-CZ 3.69Å; F257-F277 HydrophobicContact CD1-CZ 3.69Å; F257-F277 HydrophobicContact CE1-CD1 4.22Å; F257-F277 AromaticContact CE1-CD2 3.95Å; F257-F277 HydrophobicContact CE1-CD2 3.95Å; F257-F277 HydrophobicContact CE1-CE1 4Å; F257-F277 AromaticContact CE1-CE2 3.72Å; F257-F277 HydrophobicContact CE1-CE2 3.72Å; F257-F277 HydrophobicContact CE1-CG 4.21Å; F257-F277 AromaticContact CE1-CZ 3.75Å; F257-F277 HydrophobicContact CE1-CZ 3.75Å; E258-F277 HydrophobicContact CG-CE1 4.41Å; E258-F277 HydrophobicContact CG-CZ 4.1Å; L261-F277 HydrophobicContact CD1-CD1 3.42Å; L261-F277 VanDerWaalsContact CD1-CD1 3.42Å; L261-F277 HydrophobicContact CD1-CE1 3.43Å; L261-F277 VanDerWaalsContact CD1-CE1 3.43Å; L261-F277 HydrophobicContact CD1-CG 4.37Å; L261-F277 HydrophobicContact CD1-CZ 4.37Å; L275-F277 WeakPolarHBondContact O-CD1 3.38Å; L275-F277 PolarHBondContact O-N 3.08Å; F277-L336 HydrophobicContact CE1-CD2 4.31Å; F277-N340 WeakPolarHBondContact CD1-ND2 3.5Å; F277-N340 WeakPolarHBondContact CE1-ND2 3.28Å; F277-N340 PolarHBondContact N-OD1 3.44Å; F277-N340 PolarHBondContact O-OD1 3.39Å
278F95.9Very high87.1Confident12 Ų1249.3 Ų49.35%0.05327%0.273CS..  trans-115.6144.8163-57.3-41.8000108.8T92 L280 M343 A344 C347 I348 Y378 M395 L396T92-F278 WeakPolarHBondContact CG2-O 3.07Å; F278-L280 PolarHBondContact O-N 3.5Å; F278-M343 HydrophobicContact CE1-CB 4.24Å; F278-M343 HydrophobicContact CE1-CG 4.28Å; F278-M343 HydrophobicContact CZ-CB 4.17Å; F278-M343 HydrophobicContact CZ-CG 3.77Å; F278-A344 HydrophobicContact CD1-CB 4.45Å; F278-A344 HydrophobicContact CE1-CB 3.79Å; F278-A344 HydrophobicContact CZ-CB 4.49Å; F278-C347 HydrophobicContact CE2-CB 3.82Å; F278-C347 HydrophobicContact CZ-CB 3.81Å; F278-I348 HydrophobicContact CD1-CD1 4Å; F278-I348 HydrophobicContact CD2-CD1 4.32Å; F278-I348 HydrophobicContact CE1-CD1 4.07Å; F278-I348 HydrophobicContact CE2-CD1 4.35Å; F278-I348 HydrophobicContact CE2-CG1 4.33Å; F278-I348 HydrophobicContact CG-CD1 4.13Å; F278-I348 HydrophobicContact CZ-CD1 4.21Å; F278-I348 HydrophobicContact CZ-CG1 4.32Å; F278-Y378 HydrophobicContact CB-CE2 4.25Å; F278-M395 HydrophobicContact CD1-CE 4.32Å; F278-M395 HydrophobicContact CD2-CB 3.59Å; F278-M395 HydrophobicContact CD2-CE 4.1Å; F278-M395 HydrophobicContact CE1-CE 4.02Å; F278-M395 HydrophobicContact CE2-CB 3.56Å; F278-M395 HydrophobicContact CE2-CE 3.82Å; F278-M395 HydrophobicContact CE2-CG 4.44Å; F278-M395 HydrophobicContact CE2-SD 4.17Å; F278-M395 HydrophobicContact CG-CE 4.36Å; F278-M395 HydrophobicContact CZ-CE 3.8Å; F278-M395 HydrophobicContact CZ-SD 4.35Å; F278-L396 HydrophobicContact CD2-CD2 3.29Å; F278-L396 HydrophobicContact CD2-CG 4Å; F278-L396 HydrophobicContact CE2-CD2 3.61Å; F278-L396 HydrophobicContact CE2-CG 4.06Å; F278-L396 HydrophobicContact CG-CD2 4.19Å
279K93.3Very high85.6Confident120 Ų12051.6 Ų51.652%0.52229%0.289SS..  trans-7197.6-178.8-173.5177.6179.6175.80109.6A282 Y378K279-A282 HydrophobicContact CD-CB 4.3Å; K279-A282 HydrophobicContact CG-CB 4.31Å; K279-Y378 WeakPolarHBondContact O-CE2 3.46Å; K279-Y378 PolarHBondContact O-OH 3.42Å; K279-Y378 VanDerWaalsContact O-OH 3.07Å
280L91.4Very high84.6Confident14 Ų1456.5 Ų56.57%0.07331%0.307CS..THydrogen-bonded Turntrans-83.8150.6178.8-61.1-178.8000111.2T92 N95 F278 A282 Y378T92-L280 PolarHBondContact OG1-N 3.19Å; N95-L280 HydrophobicContact CB-CD1 3.77Å; F278-L280 PolarHBondContact O-N 3.5Å; L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 3.17Å; L280-Y378 HydrophobicContact CD2-CD2 4.25Å; L280-Y378 HydrophobicContact CD2-CE2 4.16Å
281N86.8Confident84.3Confident54 Ų5457.4 Ų57.429%0.28931%0.312SS..THydrogen-bonded Turntrans57.333.3178.8-64.2-27.3000114.6S91 I375S91-N281 WeakPolarHBondContact CB-ND2 3.37Å; S91-N281 PolarHBondContact OG-ND2 2.8Å; S91-N281 VanDerWaalsContact OG-ND2 3.07Å; N281-I375 HydrophobicContact CB-CG2 3.89Å
282A87.4Confident84.2Confident17 Ų1755 Ų5514%0.1431%0.305CS..PPolyproline II helixtrans-65.3135.8171.600000110.3K279 L280 M376K279-A282 HydrophobicContact CD-CB 4.3Å; K279-A282 HydrophobicContact CG-CB 4.31Å; L280-A282 VanDerWaalsContact C-N 3.26Å; L280-A282 PolarHBondContact O-N 3.17Å; A282-M376 WeakPolarHBondContact O-CB 3.41Å; A282-M376 WeakPolarHBondContact O-CG 3.25Å; A282-M376 PolarHBondContact O-N 2.99Å
283R85.2Confident84.1Confident44 Ų4459.1 Ų59.117%0.16633%0.334CS..BIsolated β-bridgetrans-81.6142.8175.5-169.7-179.460.5178.1-6.5110.5E173 H177 G285 S286 S374E173-R283 IonicContact OE1-CZ 2.66Å; E173-R283 IonicContact OE1-NH1 3.38Å; E173-R283 PolarHBondContact OE1-NH1 3.31Å; E173-R283 IonicContact OE1-NH2 3.09Å; E173-R283 PolarHBondContact OE1-NH2 2.9Å; E173-R283 IonicContact OE2-CZ 3.59Å; E173-R283 IonicContact OE2-NH1 2.71Å; E173-R283 PolarHBondContact OE2-NH1 3.19Å; E173-R283 IonicContact OE2-NH2 2.88Å; E173-R283 PolarHBondContact OE2-NH2 3.24Å; H177-R283 PolarHBondContact CD2-NH1 3.06Å; H177-R283 VanDerWaalsContact CD2-NH1 3.28Å; R283-G285 PolarHBondContact O-N 3.14Å; R283-S286 WeakPolarHBondContact O-CB 3.37Å; R283-S286 PolarHBondContact O-N 2.83Å; R283-S286 VanDerWaalsContact O-N 3.17Å; R283-S286 PolarHBondContact O-OG 3Å; R283-S374 CarbonylContact C-O 3.55Å; R283-S374 WeakPolarHBondContact CA-O 3.44Å
284K79.1Confident84.1Confident106 Ų10660 Ų6046%0.46134%0.335SS..THydrogen-bonded Turntrans-54130.1169.7-175.3172.7175.8170.30109.9S286 E355 S374 M376K284-S286 VanDerWaalsContact C-N 3.32Å; K284-S286 PolarHBondContact O-N 2.87Å; K284-E355 WeakPolarHBondContact CE-OE1 3.04Å; K284-E355 IonicContact NZ-OE1 3.39Å; K284-E355 PolarHBondContact NZ-OE1 2.84Å; K284-E355 IonicContact NZ-OE2 3.46Å; K284-E355 PolarHBondContact NZ-OE2 2.85Å; K284-S374 PolarHBondContact N-O 3.39Å; K284-M376 HydrophobicContact CB-CG 4.44Å; K284-M376 HydrophobicContact CB-SD 3.99Å; K284-M376 HydrophobicContact CG-SD 4.41Å
285G69.8Low84.2Confident51 Ų5159.9 Ų59.953%0.52633%0.334SS..THydrogen-bonded Turntrans71.516.2-179.500000115.8R283 T287R283-G285 PolarHBondContact O-N 3.14Å; G285-T287 PolarHBondContact O-N 3.18Å; G285-T287 VanDerWaalsContact O-N 3.1Å
286S66.6Low84.2Confident49 Ų4963.3 Ų63.334%0.34335%0.347SS..THydrogen-bonded Turntrans-71.87.2-178.555.40000116.1R283 K284 V288R283-S286 WeakPolarHBondContact O-CB 3.37Å; R283-S286 PolarHBondContact O-N 2.83Å; R283-S286 VanDerWaalsContact O-N 3.17Å; R283-S286 PolarHBondContact O-OG 3Å; K284-S286 VanDerWaalsContact C-N 3.32Å; K284-S286 PolarHBondContact O-N 2.87Å; S286-V288 VanDerWaalsContact C-N 3.3Å; S286-V288 PolarHBondContact O-N 2.75Å
287T50.6Low84.2Confident135 Ų13565.9 Ų65.983%0.82837%0.369SS*.THydrogen-bonded Turntrans-79.2-11.3-177.247.10000113.8G285G285-T287 PolarHBondContact O-N 3.18Å; G285-T287 VanDerWaalsContact O-N 3.1Å
288V55.1Low84.2Confident108 Ų10868.5 Ų68.566%0.65538%0.378SS*.SBendtrans-137.9130.4177.9-174.40000108.5S286 K290S286-V288 VanDerWaalsContact C-N 3.3Å; S286-V288 PolarHBondContact O-N 2.75Å; V288-K290 PolarHBondContact O-N 3.32Å
289S65.9Low84.3Confident50 Ų5068 Ų6835%0.3538%0.376SS..  trans-60.8131.2171.1-179.30000109E170 L291E170-S289 WeakPolarHBondContact OE1-CB 3.4Å; E170-S289 PolarHBondContact OE1-OG 2.9Å; E170-S289 PolarHBondContact OE2-OG 3.29Å; S289-L291 PolarHBondContact OG-N 2.8Å
290K75.6Confident84.6Confident130 Ų13063.4 Ų63.457%0.56536%0.357SS*.  trans-81.2-7178-65.5-176178.5-177.30112.5V288V288-K290 PolarHBondContact O-N 3.32Å
291L88.8Confident84.9Confident21 Ų2169.9 Ų69.911%0.1139%0.387CS..  trans-80.4127.8-178.3-64.3175.4000110.6A169 E173 L195 L199 S289 L295 R296A169-L291 HydrophobicContact CB-CD1 4.07Å; E173-L291 HydrophobicContact CB-CD1 4.07Å; E173-L291 HydrophobicContact CB-CD2 4.46Å; E173-L291 HydrophobicContact CB-CG 4.26Å; E173-L291 HydrophobicContact CG-CD2 4.37Å; E173-L291 HydrophobicContact CG-CG 4.21Å; L195-L291 HydrophobicContact CD2-CD2 3.91Å; L199-L291 HydrophobicContact CD1-CD2 4.32Å; S289-L291 PolarHBondContact OG-N 2.8Å; L291-L295 HydrophobicContact CD2-CB 4.01Å; L291-R296 HydrophobicContact CB-CB 4.26Å
292T94Very high85.5Confident70 Ų7068.3 Ų68.343%0.42938%0.377SS..  trans-65.7159163.666.80000109.7E294 L295 R296T292-E294 PolarHBondContact O-N 3.44Å; T292-L295 HydrophobicContact CG2-CD1 4.46Å; T292-L295 PolarHBondContact O-N 3.2Å; T292-L295 VanDerWaalsContact O-N 3.17Å; T292-L295 WeakPolarHBondContact OG1-CG 3.08Å; T292-L295 PolarHBondContact OG1-N 3.1Å; T292-R296 WeakPolarHBondContact O-CB 3.33Å; T292-R296 PolarHBondContact O-N 3.46Å
293P95.6Very high86Confident117 Ų11767.7 Ų67.776%0.7637%0.371SS*.Hα-helixtrans-53.8-36175.8-28.236.1000113.6A297P293-A297 PolarHBondContact O-N 3.35Å; P293-A297 VanDerWaalsContact O-N 3.08Å
294E96.6Very high86.7Confident113 Ų11366.7 Ų66.753%0.52837%0.373SS..Hα-helixtrans-66.3-51.4175.9-174.6-175.3168.400111.9T292 R296 A297 R298T292-E294 PolarHBondContact O-N 3.44Å; E294-R296 PolarHBondContact O-N 3.17Å; E294-A297 WeakPolarHBondContact O-CB 3.4Å; E294-A297 PolarHBondContact O-N 2.75Å; E294-A297 VanDerWaalsContact O-N 3.09Å; E294-R298 PolarHBondContact O-N 3.08Å; E294-R298 IonicContact OE1-CZ 2.83Å; E294-R298 IonicContact OE1-NE 3.86Å; E294-R298 PolarHBondContact OE1-NE 3.48Å; E294-R298 IonicContact OE1-NH2 2.82Å; E294-R298 PolarHBondContact OE1-NH2 2.95Å
295L96.8Very high87.6Confident17 Ų1761.8 Ų61.89%0.08935%0.351CS..Hα-helixtrans-62.7-35.4179.3-69.2173.9000111.7T196 L199 L291 T292 R298 A299T196-L295 HydrophobicContact CG2-CD1 4.34Å; T196-L295 HydrophobicContact CG2-CD2 4.08Å; T196-L295 VanDerWaalsContact OG1-CD1 3.25Å; T196-L295 WeakPolarHBondContact OG1-CD1 3.29Å; L199-L295 HydrophobicContact CB-CD2 4.09Å; L199-L295 HydrophobicContact CD1-CB 4.2Å; L199-L295 HydrophobicContact CD1-CD2 4.2Å; L291-L295 HydrophobicContact CD2-CB 4.01Å; T292-L295 HydrophobicContact CG2-CD1 4.46Å; T292-L295 PolarHBondContact O-N 3.2Å; T292-L295 VanDerWaalsContact O-N 3.17Å; T292-L295 WeakPolarHBondContact OG1-CG 3.08Å; T292-L295 PolarHBondContact OG1-N 3.1Å; L295-R298 PolarHBondContact O-N 2.74Å; L295-A299 WeakPolarHBondContact O-CB 3.43Å; L295-A299 PolarHBondContact O-N 2.8Å
296R97.6Very high89Confident73 Ų7359.4 Ų59.428%0.27533%0.327SS..Hα-helixtrans-61.1-45.3173-179.2174.6172.971.614.2111.6D167 A169 E170 L291 T292 E294 A299 L300D167-R296 IonicContact OD1-CZ 3.71Å; D167-R296 IonicContact OD1-NH1 3.38Å; D167-R296 PolarHBondContact OD1-NH1 2.79Å; D167-R296 IonicContact OD1-NH2 3.28Å; D167-R296 PolarHBondContact OD1-NH2 2.79Å; D167-R296 IonicContact OD2-CZ 3.44Å; D167-R296 IonicContact OD2-NH1 3.53Å; D167-R296 IonicContact OD2-NH2 2.8Å; D167-R296 PolarHBondContact OD2-NH2 3.37Å; A169-R296 HydrophobicContact CB-CG 3.84Å; E170-R296 IonicContact OE1-NH1 2.67Å; L291-R296 HydrophobicContact CB-CB 4.26Å; T292-R296 WeakPolarHBondContact O-CB 3.33Å; T292-R296 PolarHBondContact O-N 3.46Å; E294-R296 PolarHBondContact O-N 3.17Å; R296-A299 PolarHBondContact O-N 3.08Å; R296-L300 WeakPolarHBondContact O-CG 3.41Å; R296-L300 PolarHBondContact O-N 3.49Å
297A98.3Very high90.5Very high57 Ų5760.6 Ų60.647%0.47132%0.324SS..Hα-helixtrans-61.5-45.6177.300000111.5P293 E294 A299 L300 E301P293-A297 PolarHBondContact O-N 3.35Å; P293-A297 VanDerWaalsContact O-N 3.08Å; E294-A297 WeakPolarHBondContact O-CB 3.4Å; E294-A297 PolarHBondContact O-N 2.75Å; E294-A297 VanDerWaalsContact O-N 3.09Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 2.65Å; A297-L300 PolarHBondContact O-N 3.24Å; A297-E301 PolarHBondContact O-N 3.09Å
298R98.4Very high92.8Very high81 Ų8157 Ų5731%0.30630%0.296SS..Hα-helixtrans-60.9-40.2175.4-69174.5177.1-86.90.9112.5L199 E294 L295 E301 W302L199-R298 HydrophobicContact CB-CB 4.27Å; L199-R298 HydrophobicContact CD2-CB 4.48Å; L199-R298 WeakPolarHBondContact O-CD 2.96Å; E294-R298 PolarHBondContact O-N 3.08Å; E294-R298 IonicContact OE1-CZ 2.83Å; E294-R298 IonicContact OE1-NE 3.86Å; E294-R298 PolarHBondContact OE1-NE 3.48Å; E294-R298 IonicContact OE1-NH2 2.82Å; E294-R298 PolarHBondContact OE1-NH2 2.95Å; L295-R298 PolarHBondContact O-N 2.74Å; R298-E301 PolarHBondContact O-N 3.32Å; R298-W302 WeakPolarHBondContact O-CB 3.19Å; R298-W302 PolarHBondContact O-N 3.11Å
299A98.3Very high94.9Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-65.9-37.1176.900000112.5A169 F172 L199 L295 R296 A297 N303A169-A299 HydrophobicContact CB-CB 3.85Å; F172-A299 HydrophobicContact CD1-CB 4.16Å; L199-A299 HydrophobicContact CD1-CB 4.12Å; L199-A299 HydrophobicContact CD2-CB 3.86Å; L295-A299 WeakPolarHBondContact O-CB 3.43Å; L295-A299 PolarHBondContact O-N 2.8Å; R296-A299 PolarHBondContact O-N 3.08Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 2.65Å; A299-N303 WeakPolarHBondContact O-CB 3.28Å; A299-N303 PolarHBondContact O-N 2.68Å; A299-N303 VanDerWaalsContact O-N 3.08Å; A299-N303 PolarHBondContact O-ND2 3.13Å
300L98.6Very high96.5Very high25 Ų2550.1 Ų50.113%0.13125%0.251CS..Hα-helixtrans-69.8-39.4174.2-68.9179000112P168 A169 R296 A297 N303 A304 W307P168-L300 HydrophobicContact CB-CD2 4.14Å; A169-L300 HydrophobicContact CB-CD2 3.83Å; A169-L300 HydrophobicContact CB-CG 3.98Å; R296-L300 WeakPolarHBondContact O-CG 3.41Å; R296-L300 PolarHBondContact O-N 3.49Å; A297-L300 PolarHBondContact O-N 3.24Å; L300-N303 CarbonylContact O-C 3.56Å; L300-N303 PolarHBondContact O-N 3.24Å; L300-A304 VanDerWaalsContact O-CA 3.31Å; L300-A304 WeakPolarHBondContact O-CA 3.48Å; L300-A304 PolarHBondContact O-N 3.02Å; L300-A304 VanDerWaalsContact O-N 3.07Å; L300-W307 HydrophobicContact CD1-CD2 4.38Å; L300-W307 HydrophobicContact CD1-CZ2 4.5Å; L300-W307 HydrophobicContact CD2-CB 4.42Å; L300-W307 HydrophobicContact CD2-CD2 3.96Å; L300-W307 HydrophobicContact CD2-CE3 3.76Å; L300-W307 HydrophobicContact CD2-CG 4.25Å; L300-W307 HydrophobicContact CD2-CZ3 4.36Å
301E98.3Very high97.6Very high150 Ų15047.8 Ų47.870%0.70124%0.242SC*.Hα-helixtrans-63.1-47.8174.9-178.2175.9-161.600111.1A297 R298 N303 A304A297-E301 PolarHBondContact O-N 3.09Å; R298-E301 PolarHBondContact O-N 3.32Å; E301-N303 VanDerWaalsContact C-N 3.25Å; E301-N303 PolarHBondContact O-N 3.24Å; E301-A304 WeakPolarHBondContact O-CB 3.43Å; E301-A304 PolarHBondContact O-N 3.08Å
302W98.5Very high98Very high20 Ų2049.6 Ų49.68%0.07625%0.25CC..Hα-helixtrans-61.5-34.4176.9-179.7-113.1000113F198 P202 H203 F206 L216 K217 R298F198-W302 AromaticContact CE1-CD1 3.87Å; F198-W302 HydrophobicContact CE1-CD2 4.42Å; F198-W302 AromaticContact CE1-CE2 3.88Å; F198-W302 HydrophobicContact CE1-CG 4.42Å; F198-W302 HydrophobicContact CE1-CZ2 4.38Å; F198-W302 AromaticContact CE1-NE1 3.51Å; F198-W302 AromaticContact CZ-CE2 3.9Å; F198-W302 AromaticContact CZ-CZ2 3.96Å; F198-W302 HydrophobicContact CZ-CZ2 3.96Å; F198-W302 AromaticContact CZ-NE1 3.75Å; P202-W302 HydrophobicContact CB-CD2 3.6Å; P202-W302 HydrophobicContact CB-CE3 3.46Å; P202-W302 VanDerWaalsContact CB-CE3 3.46Å; P202-W302 HydrophobicContact CB-CG 4.29Å; P202-W302 HydrophobicContact CB-CH2 3.88Å; P202-W302 HydrophobicContact CB-CZ2 4.03Å; P202-W302 HydrophobicContact CB-CZ3 3.6Å; P202-W302 HydrophobicContact CG-CD2 3.91Å; P202-W302 HydrophobicContact CG-CE3 3.37Å; P202-W302 HydrophobicContact CG-CH2 4.44Å; P202-W302 HydrophobicContact CG-CZ3 3.67Å; H203-W302 AromaticContact CE1-CZ3 3.78Å; H203-W302 AromaticContact NE2-CZ3 3.96Å; F206-W302 HydrophobicContact CB-CH2 3.78Å; F206-W302 HydrophobicContact CB-CZ2 3.72Å; F206-W302 AromaticContact CD1-CH2 3.7Å; F206-W302 HydrophobicContact CD1-CH2 3.7Å; F206-W302 AromaticContact CD1-CZ2 3.84Å; F206-W302 HydrophobicContact CD1-CZ2 3.84Å; F206-W302 AromaticContact CD2-CZ2 3.88Å; F206-W302 HydrophobicContact CD2-CZ2 3.88Å; F206-W302 HydrophobicContact CE1-CH2 4.44Å; F206-W302 HydrophobicContact CE1-CZ2 4.44Å; F206-W302 HydrophobicContact CE2-CZ2 4.47Å; F206-W302 AromaticContact CG-CH2 3.75Å; F206-W302 HydrophobicContact CG-CH2 3.75Å; F206-W302 AromaticContact CG-CZ2 3.52Å; F206-W302 HydrophobicContact CG-CZ2 3.52Å; L216-W302 PolarHBondContact O-NE1 3.21Å; K217-W302 HydrophobicContact CB-CZ2 4.24Å; K217-W302 HydrophobicContact CD-CH2 4.25Å; K217-W302 HydrophobicContact CD-CZ2 3.95Å; K217-W302 HydrophobicContact CG-CZ2 4.16Å; R298-W302 WeakPolarHBondContact O-CB 3.19Å; R298-W302 PolarHBondContact O-N 3.11Å
303N98.7Very high98.3Very high4 Ų446.5 Ų46.52%0.02123%0.23CC..THydrogen-bonded Turntrans-106.442.3177.8-60.9-80.1000112P168 F172 N218 A299 L300 E301 I305 D306 W307P168-N303 HydrophobicContact CB-CB 4.29Å; F172-N303 WeakPolarHBondContact CG-ND2 3.27Å; N218-N303 PolarHBondContact N-OD1 2.95Å; N218-N303 WeakPolarHBondContact OD1-CA 3.34Å; N218-N303 PolarHBondContact OD1-O 3.48Å; A299-N303 WeakPolarHBondContact O-CB 3.28Å; A299-N303 PolarHBondContact O-N 2.68Å; A299-N303 VanDerWaalsContact O-N 3.08Å; A299-N303 PolarHBondContact O-ND2 3.13Å; L300-N303 CarbonylContact O-C 3.56Å; L300-N303 PolarHBondContact O-N 3.24Å; E301-N303 VanDerWaalsContact C-N 3.25Å; E301-N303 PolarHBondContact O-N 3.24Å; N303-I305 VanDerWaalsContact C-N 3.27Å; N303-I305 PolarHBondContact O-N 2.86Å; N303-D306 HydrophobicContact CB-CB 4.36Å; N303-D306 PolarHBondContact O-N 3.36Å; N303-D306 VanDerWaalsContact O-N 3.16Å; N303-W307 PolarHBondContact O-N 3.34Å
304A98.7Very high98.4Very high24 Ų2443.2 Ų43.220%0.19821%0.206CC..Hα-helixtrans-60.1-31.8-17200000114.3L232 L300 E301 W307 K308L232-A304 HydrophobicContact CD1-CB 4.1Å; L232-A304 HydrophobicContact CD2-CB 4.12Å; L300-A304 VanDerWaalsContact O-CA 3.31Å; L300-A304 WeakPolarHBondContact O-CA 3.48Å; L300-A304 PolarHBondContact O-N 3.02Å; L300-A304 VanDerWaalsContact O-N 3.07Å; E301-A304 WeakPolarHBondContact O-CB 3.43Å; E301-A304 PolarHBondContact O-N 3.08Å; A304-W307 PolarHBondContact O-N 3.31Å; A304-K308 WeakPolarHBondContact O-CB 3.33Å; A304-K308 PolarHBondContact O-N 3.41Å
305I98.8Very high98.5Very high3 Ų343.4 Ų43.42%0.01521%0.208CC..Hα-helixtrans-69.2-46.8177.1-66.3170.8000110.1N218 F221 L230 L232 V237 N303 W307 K308 L309N218-I305 HydrophobicContact CB-CB 4.26Å; N218-I305 PolarHBondContact OD1-N 3Å; N218-I305 VanDerWaalsContact OD1-N 3.16Å; F221-I305 HydrophobicContact CB-CG2 3.95Å; F221-I305 HydrophobicContact CD1-CG2 3.76Å; F221-I305 HydrophobicContact CD2-CG2 3.49Å; F221-I305 VanDerWaalsContact CD2-CG2 3.49Å; F221-I305 HydrophobicContact CE1-CG2 4.05Å; F221-I305 HydrophobicContact CE2-CG2 3.81Å; F221-I305 HydrophobicContact CG-CG2 3.47Å; F221-I305 VanDerWaalsContact CG-CG2 3.47Å; F221-I305 HydrophobicContact CZ-CG2 4.07Å; L230-I305 HydrophobicContact CB-CD1 3.97Å; L230-I305 WeakPolarHBondContact O-CD1 3.18Å; L232-I305 HydrophobicContact CD1-CG1 4.25Å; V237-I305 HydrophobicContact CG1-CG1 4.21Å; V237-I305 HydrophobicContact CG1-CG2 4Å; V237-I305 HydrophobicContact CG2-CD1 3.74Å; V237-I305 HydrophobicContact CG2-CG1 3.93Å; N303-I305 VanDerWaalsContact C-N 3.27Å; N303-I305 PolarHBondContact O-N 2.86Å; I305-W307 PolarHBondContact O-N 2.87Å; I305-K308 PolarHBondContact O-N 3.19Å; I305-L309 WeakPolarHBondContact O-CB 3.4Å; I305-L309 PolarHBondContact O-N 3.29Å
306D98.8Very high98.5Very high1 Ų144.3 Ų44.31%0.00521%0.214CC..Hα-helixtrans-62.6-32.8174.8-84.15.2000111.1P168 N218 L219 L220 F221 N303 L309 Y310P168-D306 HydrophobicContact CB-CB 3.88Å; P168-D306 VanDerWaalsContact CG-C 3.46Å; P168-D306 HydrophobicContact CG-CB 3.85Å; P168-D306 WeakPolarHBondContact CG-O 3.35Å; N218-D306 VanDerWaalsContact C-CG 3.5Å; N218-D306 VanDerWaalsContact CA-CG 3.43Å; N218-D306 VanDerWaalsContact CA-OD2 3.3Å; N218-D306 WeakPolarHBondContact CA-OD2 3.2Å; N218-D306 PolarHBondContact OD1-N 3.45Å; N218-D306 VanDerWaalsContact OD1-N 3.15Å; L219-D306 PolarHBondContact N-OD2 3.45Å; L220-D306 WeakPolarHBondContact CB-OD1 3.34Å; L220-D306 HydrophobicContact CD1-CB 4.46Å; L220-D306 PolarHBondContact N-OD1 3Å; L220-D306 PolarHBondContact N-OD2 3.1Å; F221-D306 WeakPolarHBondContact CB-OD1 3.5Å; F221-D306 PolarHBondContact N-OD1 3.38Å; N303-D306 HydrophobicContact CB-CB 4.36Å; N303-D306 PolarHBondContact O-N 3.36Å; N303-D306 VanDerWaalsContact O-N 3.16Å; D306-L309 PolarHBondContact O-N 2.92Å; D306-Y310 VanDerWaalsContact O-CB 3.28Å; D306-Y310 WeakPolarHBondContact O-CB 3.46Å; D306-Y310 PolarHBondContact O-N 3.43Å
307W98.8Very high98.6Very high74 Ų7440.9 Ų40.928%0.2820%0.201SC..Hα-helixtrans-65.3-48.1173.8-178.1-130.1000112.6P168 L300 N303 A304 I305 L309 Y310 Q311P168-W307 HydrophobicContact CG-CB 4.47Å; P168-W307 HydrophobicContact CG-CE3 4.33Å; L300-W307 HydrophobicContact CD1-CD2 4.38Å; L300-W307 HydrophobicContact CD1-CZ2 4.5Å; L300-W307 HydrophobicContact CD2-CB 4.42Å; L300-W307 HydrophobicContact CD2-CD2 3.96Å; L300-W307 HydrophobicContact CD2-CE3 3.76Å; L300-W307 HydrophobicContact CD2-CG 4.25Å; L300-W307 HydrophobicContact CD2-CZ3 4.36Å; N303-W307 PolarHBondContact O-N 3.34Å; A304-W307 PolarHBondContact O-N 3.31Å; I305-W307 PolarHBondContact O-N 2.87Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 3.43Å; W307-Y310 HydrophobicContact CE3-CD1 4.07Å; W307-Y310 AromaticContact CZ3-CD1 3.58Å; W307-Y310 HydrophobicContact CZ3-CD1 3.58Å; W307-Y310 HydrophobicContact CZ3-CE1 4.14Å; W307-Y310 HydrophobicContact CZ3-CG 4.48Å; W307-Y310 PolarHBondContact O-N 3.02Å; W307-Q311 HydrophobicContact CD2-CG 3.91Å; W307-Q311 VanDerWaalsContact CE2-CD 3.43Å; W307-Q311 HydrophobicContact CE3-CG 4.12Å; W307-Q311 HydrophobicContact CH2-CG 3.92Å; W307-Q311 HydrophobicContact CZ2-CG 3.69Å; W307-Q311 VanDerWaalsContact CZ2-NE2 3.32Å; W307-Q311 HydrophobicContact CZ3-CG 4.14Å; W307-Q311 VanDerWaalsContact O-CG 3.31Å; W307-Q311 WeakPolarHBondContact O-CG 2.98Å; W307-Q311 PolarHBondContact O-N 2.87Å
308K98.8Very high98.6Very high58 Ų5841.5 Ų41.525%0.25219%0.191SC..Hα-helixtrans-58.8-43.6174.3-171.2176174.6-178.60111.5L232 V237 D238 I241 A304 I305 Q311 H312L232-K308 HydrophobicContact CD1-CB 4.27Å; L232-K308 HydrophobicContact CD1-CD 3.88Å; V237-K308 HydrophobicContact CG1-CD 4.09Å; D238-K308 WeakPolarHBondContact OD1-CE 3.28Å; D238-K308 IonicContact OD1-NZ 3.19Å; D238-K308 PolarHBondContact OD1-NZ 2.96Å; D238-K308 IonicContact OD2-NZ 3.07Å; D238-K308 PolarHBondContact OD2-NZ 2.97Å; I241-K308 HydrophobicContact CD1-CB 4.24Å; I241-K308 HydrophobicContact CD1-CD 4.04Å; I241-K308 HydrophobicContact CD1-CG 3.74Å; A304-K308 WeakPolarHBondContact O-CB 3.33Å; A304-K308 PolarHBondContact O-N 3.41Å; I305-K308 PolarHBondContact O-N 3.19Å; K308-Q311 PolarHBondContact O-N 2.82Å; K308-H312 PolarHBondContact O-N 3.25Å
309L98.8Very high98.6Very high0 Ų044.2 Ų44.20%021%0.205CC..Hα-helixtrans-59.2-50.5174.5177.571.4000111.8L165 L220 F224 I241 I244 I305 D306 W307 Q311 H312 F313L165-L309 HydrophobicContact CD1-CD2 4.41Å; L165-L309 HydrophobicContact CD1-CG 4.2Å; L220-L309 HydrophobicContact CB-CD2 3.93Å; F224-L309 HydrophobicContact CD2-CD2 4.32Å; F224-L309 HydrophobicContact CE2-CD2 4.16Å; I241-L309 HydrophobicContact CG1-CB 4.38Å; I241-L309 HydrophobicContact CG1-CD1 3.94Å; I241-L309 HydrophobicContact CG2-CD1 4.48Å; I244-L309 HydrophobicContact CD1-CD1 3.72Å; I305-L309 WeakPolarHBondContact O-CB 3.4Å; I305-L309 PolarHBondContact O-N 3.29Å; D306-L309 PolarHBondContact O-N 2.92Å; W307-L309 VanDerWaalsContact C-N 3.32Å; W307-L309 PolarHBondContact O-N 3.43Å; L309-Q311 PolarHBondContact O-N 2.86Å; L309-H312 PolarHBondContact O-N 3.29Å; L309-F313 HydrophobicContact CD1-CD2 3.78Å; L309-F313 HydrophobicContact CD1-CE2 3.52Å; L309-F313 HydrophobicContact CG-CD2 4.22Å; L309-F313 HydrophobicContact CG-CE2 4.42Å; L309-F313 WeakPolarHBondContact O-CD2 3.47Å; L309-F313 PolarHBondContact O-N 3.34Å; L309-F313 VanDerWaalsContact O-N 3.15Å
310Y98.8Very high98.6Very high14 Ų1448.4 Ų48.46%0.05522%0.223CC..Hα-helixtrans-63-41.8-179.4-177.9-89.4000111.6L165 R166 D167 P168 L253 E255 D306 W307 H312 F313 N314L165-Y310 HydrophobicContact CB-CD2 4.33Å; R166-Y310 VanDerWaalsContact C-CE2 3.45Å; R166-Y310 WeakPolarHBondContact O-CD2 3.49Å; D167-Y310 HydrophobicContact CB-CE2 4.47Å; D167-Y310 VanDerWaalsContact N-CE2 3.29Å; P168-Y310 HydrophobicContact CG-CG 4.49Å; L253-Y310 HydrophobicContact CD2-CD2 4.24Å; L253-Y310 HydrophobicContact CD2-CE2 3.8Å; E255-Y310 PolarHBondContact OE2-OH 2.97Å; D306-Y310 VanDerWaalsContact O-CB 3.28Å; D306-Y310 WeakPolarHBondContact O-CB 3.46Å; D306-Y310 PolarHBondContact O-N 3.43Å; W307-Y310 HydrophobicContact CE3-CD1 4.07Å; W307-Y310 AromaticContact CZ3-CD1 3.58Å; W307-Y310 HydrophobicContact CZ3-CD1 3.58Å; W307-Y310 HydrophobicContact CZ3-CE1 4.14Å; W307-Y310 HydrophobicContact CZ3-CG 4.48Å; W307-Y310 PolarHBondContact O-N 3.02Å; Y310-H312 PolarHBondContact O-N 2.89Å; Y310-F313 PolarHBondContact O-N 2.93Å; Y310-N314 HydrophobicContact CD1-CB 4.44Å; Y310-N314 HydrophobicContact CE1-CB 4.2Å; Y310-N314 VanDerWaalsContact O-CB 3.29Å; Y310-N314 WeakPolarHBondContact O-CB 3.12Å; Y310-N314 PolarHBondContact O-N 2.99Å
311Q98.8Very high98.6Very high81 Ų8147.4 Ų47.438%0.37922%0.218SC..Hα-helixtrans-60.3-44177.3-73.4-179.4-49.200112.3W307 K308 L309 N314 Q315W307-Q311 HydrophobicContact CD2-CG 3.91Å; W307-Q311 VanDerWaalsContact CE2-CD 3.43Å; W307-Q311 HydrophobicContact CE3-CG 4.12Å; W307-Q311 HydrophobicContact CH2-CG 3.92Å; W307-Q311 HydrophobicContact CZ2-CG 3.69Å; W307-Q311 VanDerWaalsContact CZ2-NE2 3.32Å; W307-Q311 HydrophobicContact CZ3-CG 4.14Å; W307-Q311 VanDerWaalsContact O-CG 3.31Å; W307-Q311 WeakPolarHBondContact O-CG 2.98Å; W307-Q311 PolarHBondContact O-N 2.87Å; K308-Q311 PolarHBondContact O-N 2.82Å; L309-Q311 PolarHBondContact O-N 2.86Å; Q311-N314 PolarHBondContact O-N 2.61Å; Q311-Q315 WeakPolarHBondContact O-CG 3.33Å; Q311-Q315 PolarHBondContact O-N 2.92Å; Q311-Q315 VanDerWaalsContact O-N 3.11Å
312H98.7Very high98.6Very high59 Ų5944 Ų4427%0.27321%0.205SC..Hα-helixtrans-57.8-48.8175177.678.9000111.5I241 S245 K308 L309 Y310 Q315 T316I241-H312 HydrophobicContact CG2-CB 4.08Å; S245-H312 WeakPolarHBondContact CB-NE2 3.24Å; S245-H312 PolarHBondContact OG-NE2 3.41Å; K308-H312 PolarHBondContact O-N 3.25Å; L309-H312 PolarHBondContact O-N 3.29Å; Y310-H312 PolarHBondContact O-N 2.89Å; H312-Q315 PolarHBondContact O-N 3.11Å; H312-T316 WeakPolarHBondContact O-CG2 3.45Å; H312-T316 PolarHBondContact O-N 2.84Å; H312-T316 VanDerWaalsContact O-N 3.09Å; H312-T316 PolarHBondContact O-OG1 3.04Å
313F98.7Very high98.6Very high5 Ų547.4 Ų47.42%0.02224%0.237CC..Hα-helixtrans-75.1-28.2-178.3-75.9-65.6000114.1L165 I244 V251 L309 Y310 T316 F317L165-F313 HydrophobicContact CD1-CB 3.86Å; L165-F313 HydrophobicContact CD1-CD2 3.63Å; L165-F313 HydrophobicContact CD1-CG 3.99Å; I244-F313 HydrophobicContact CB-CE2 4.24Å; I244-F313 HydrophobicContact CB-CZ 4.14Å; I244-F313 HydrophobicContact CG2-CE2 3.7Å; I244-F313 HydrophobicContact CG2-CZ 3.58Å; V251-F313 HydrophobicContact CB-CB 4.41Å; V251-F313 HydrophobicContact CB-CD1 3.5Å; V251-F313 VanDerWaalsContact CB-CD1 3.5Å; V251-F313 HydrophobicContact CB-CE1 3.92Å; V251-F313 HydrophobicContact CB-CG 3.97Å; V251-F313 HydrophobicContact CG1-CB 3.93Å; V251-F313 HydrophobicContact CG1-CD1 3.78Å; V251-F313 HydrophobicContact CG1-CD2 4.22Å; V251-F313 HydrophobicContact CG1-CE1 4.39Å; V251-F313 HydrophobicContact CG1-CG 3.69Å; V251-F313 HydrophobicContact CG2-CD1 3.45Å; V251-F313 VanDerWaalsContact CG2-CD1 3.45Å; V251-F313 HydrophobicContact CG2-CE1 3.29Å; V251-F313 HydrophobicContact CG2-CE2 4.48Å; V251-F313 HydrophobicContact CG2-CG 4.15Å; V251-F313 HydrophobicContact CG2-CZ 3.85Å; L309-F313 HydrophobicContact CD1-CD2 3.78Å; L309-F313 HydrophobicContact CD1-CE2 3.52Å; L309-F313 HydrophobicContact CG-CD2 4.22Å; L309-F313 HydrophobicContact CG-CE2 4.42Å; L309-F313 WeakPolarHBondContact O-CD2 3.47Å; L309-F313 PolarHBondContact O-N 3.34Å; L309-F313 VanDerWaalsContact O-N 3.15Å; Y310-F313 PolarHBondContact O-N 2.93Å; F313-T316 WeakPolarHBondContact CA-OG1 3.31Å; F313-T316 PolarHBondContact O-N 3.22Å; F313-T316 PolarHBondContact O-OG1 3.15Å; F313-F317 WeakPolarHBondContact O-CB 3.42Å; F313-F317 PolarHBondContact O-N 2.7Å
314N98.7Very high98.6Very high48 Ų4848.1 Ų48.126%0.25724%0.239SC..Hα-helixtrans-62-44.7169.6-176.355.5000111.3L253 Y310 Q311 F317 W318L253-N314 HydrophobicContact CD1-CB 4.31Å; Y310-N314 HydrophobicContact CD1-CB 4.44Å; Y310-N314 HydrophobicContact CE1-CB 4.2Å; Y310-N314 VanDerWaalsContact O-CB 3.29Å; Y310-N314 WeakPolarHBondContact O-CB 3.12Å; Y310-N314 PolarHBondContact O-N 2.99Å; Q311-N314 PolarHBondContact O-N 2.61Å; N314-F317 PolarHBondContact O-N 3.04Å; N314-W318 PolarHBondContact O-N 2.83Å; N314-W318 VanDerWaalsContact O-N 3.14Å; N314-W318 PolarHBondContact OD1-NE1 2.71Å
315Q98.4Very high98.6Very high118 Ų11848.1 Ų48.155%0.55124%0.242SC*.Hα-helixtrans-64.1-45.8176.8-68.3174.727.100112.3Q311 H312 W318 K319Q311-Q315 WeakPolarHBondContact O-CG 3.33Å; Q311-Q315 PolarHBondContact O-N 2.92Å; Q311-Q315 VanDerWaalsContact O-N 3.11Å; H312-Q315 PolarHBondContact O-N 3.11Å; Q315-W318 PolarHBondContact O-N 3.21Å; Q315-K319 WeakPolarHBondContact O-CG 3.37Å; Q315-K319 PolarHBondContact O-N 3.38Å
316T97.8Very high98.6Very high35 Ų3554.4 Ų54.422%0.21527%0.265CS..Hα-helixtrans-69.9-32.5179.4590000112.6H312 F313 K319 K320H312-T316 WeakPolarHBondContact O-CG2 3.45Å; H312-T316 PolarHBondContact O-N 2.84Å; H312-T316 VanDerWaalsContact O-N 3.09Å; H312-T316 PolarHBondContact O-OG1 3.04Å; F313-T316 WeakPolarHBondContact CA-OG1 3.31Å; F313-T316 PolarHBondContact O-N 3.22Å; F313-T316 PolarHBondContact O-OG1 3.15Å; T316-K319 PolarHBondContact O-N 2.85Å; T316-K320 PolarHBondContact O-N 2.8Å; T316-K320 VanDerWaalsContact O-N 3.13Å
317F98.6Very high98.6Very high1 Ų162 Ų620%0.00431%0.305CS..Hα-helixtrans-59.6-51.5173.2178.1-93.9000111.3L253 H256 E259 S260 L263 F313 N314 K319 K320 V321L253-F317 HydrophobicContact CD1-CB 3.76Å; L253-F317 HydrophobicContact CD1-CD1 3.84Å; L253-F317 HydrophobicContact CD1-CD2 4.18Å; L253-F317 HydrophobicContact CD1-CG 3.66Å; L253-F317 HydrophobicContact CG-CB 4.38Å; L253-F317 HydrophobicContact CG-CD2 4.17Å; L253-F317 HydrophobicContact CG-CG 4.15Å; H256-F317 HydrophobicContact CB-CE1 3.63Å; H256-F317 HydrophobicContact CB-CZ 3.6Å; H256-F317 AromaticContact CD2-CE1 3.99Å; H256-F317 AromaticContact CG-CE1 3.95Å; E259-F317 HydrophobicContact CB-CE1 4.49Å; E259-F317 HydrophobicContact CB-CZ 3.88Å; S260-F317 VanDerWaalsContact OG-CE2 3.28Å; S260-F317 WeakPolarHBondContact OG-CE2 3.46Å; L263-F317 HydrophobicContact CD1-CD2 4.01Å; L263-F317 HydrophobicContact CD1-CE2 3.68Å; L263-F317 HydrophobicContact CD1-CZ 4.2Å; F313-F317 WeakPolarHBondContact O-CB 3.42Å; F313-F317 PolarHBondContact O-N 2.7Å; N314-F317 PolarHBondContact O-N 3.04Å; F317-K319 VanDerWaalsContact C-N 3.3Å; F317-K319 PolarHBondContact O-N 3.32Å; F317-K320 WeakPolarHBondContact O-CA 3.27Å; F317-K320 WeakPolarHBondContact O-CB 3.4Å; F317-K320 PolarHBondContact O-N 3.44Å; F317-V321 HydrophobicContact CD1-CG2 4.02Å; F317-V321 HydrophobicContact CE1-CG2 3.62Å; F317-V321 HydrophobicContact CZ-CG2 3.99Å; F317-V321 PolarHBondContact O-N 3.39Å
318W98.6Very high98.6Very high70 Ų7064 Ų6427%0.26531%0.313SS..Hα-helixtrans-65-33.1180-76.6110.5000113H256 N314 Q315 K320 V321 D322H256-W318 AromaticContact CD2-CZ2 3.92Å; H256-W318 AromaticContact CE1-CZ2 3.55Å; H256-W318 AromaticContact ND1-CZ2 3.95Å; H256-W318 AromaticContact NE2-CZ2 3.5Å; H256-W318 WeakPolarHBondContact NE2-CZ2 3.48Å; H256-W318 AromaticContact NE2-NE1 3.94Å; N314-W318 PolarHBondContact O-N 2.83Å; N314-W318 VanDerWaalsContact O-N 3.14Å; N314-W318 PolarHBondContact OD1-NE1 2.71Å; Q315-W318 PolarHBondContact O-N 3.21Å; W318-K320 VanDerWaalsContact C-N 3.3Å; W318-K320 PolarHBondContact O-N 3.27Å; W318-V321 HydrophobicContact CE3-CB 3.91Å; W318-V321 HydrophobicContact CE3-CG1 3.99Å; W318-V321 HydrophobicContact CE3-CG2 4.04Å; W318-V321 HydrophobicContact CZ3-CB 4.28Å; W318-V321 HydrophobicContact CZ3-CG1 3.91Å; W318-V321 HydrophobicContact CZ3-CG2 4.29Å; W318-V321 PolarHBondContact O-N 3.05Å; W318-D322 WeakPolarHBondContact O-CB 3.11Å; W318-D322 PolarHBondContact O-N 3.44Å
319K98.5Very high98.6Very high139 Ų13961.6 Ų61.660%0.60430%0.302SS*.Hα-helixtrans-59.4-39.4169.3-70.3173.5-177.8175.80112.3Q315 T316 F317 D322 A323Q315-K319 WeakPolarHBondContact O-CG 3.37Å; Q315-K319 PolarHBondContact O-N 3.38Å; T316-K319 PolarHBondContact O-N 2.85Å; F317-K319 VanDerWaalsContact C-N 3.3Å; F317-K319 PolarHBondContact O-N 3.32Å; K319-D322 PolarHBondContact O-N 2.95Å; K319-A323 WeakPolarHBondContact O-CB 3.23Å; K319-A323 PolarHBondContact O-N 2.8Å
320K98.6Very high98.5Very high88 Ų8864.6 Ų64.638%0.38333%0.327SS..Hα-helixtrans-68.7-39.9175.1-68.7173.4-175.3-82.70111.8H249 L250 L263 T316 F317 W318 D322 A323 Y324H249-K320 PolarHBondContact O-NZ 2.96Å; L250-K320 HydrophobicContact CD1-CD 4.04Å; L263-K320 HydrophobicContact CD1-CB 3.87Å; L263-K320 HydrophobicContact CD2-CB 4.27Å; T316-K320 PolarHBondContact O-N 2.8Å; T316-K320 VanDerWaalsContact O-N 3.13Å; F317-K320 WeakPolarHBondContact O-CA 3.27Å; F317-K320 WeakPolarHBondContact O-CB 3.4Å; F317-K320 PolarHBondContact O-N 3.44Å; W318-K320 VanDerWaalsContact C-N 3.3Å; W318-K320 PolarHBondContact O-N 3.27Å; K320-D322 VanDerWaalsContact C-N 3.33Å; K320-A323 PolarHBondContact O-N 3.19Å; K320-Y324 WeakPolarHBondContact O-CB 3.29Å; K320-Y324 PolarHBondContact O-N 3.02Å
321V98.7Very high98.5Very high3 Ų371.4 Ų71.42%0.01836%0.357CS..Hα-helixtrans-61.4-42.7173.9176.60000111.2L263 F317 W318 Y324 G325 M329L263-V321 HydrophobicContact CD1-CG2 4.02Å; F317-V321 HydrophobicContact CD1-CG2 4.02Å; F317-V321 HydrophobicContact CE1-CG2 3.62Å; F317-V321 HydrophobicContact CZ-CG2 3.99Å; F317-V321 PolarHBondContact O-N 3.39Å; W318-V321 HydrophobicContact CE3-CB 3.91Å; W318-V321 HydrophobicContact CE3-CG1 3.99Å; W318-V321 HydrophobicContact CE3-CG2 4.04Å; W318-V321 HydrophobicContact CZ3-CB 4.28Å; W318-V321 HydrophobicContact CZ3-CG1 3.91Å; W318-V321 HydrophobicContact CZ3-CG2 4.29Å; W318-V321 PolarHBondContact O-N 3.05Å; V321-Y324 PolarHBondContact O-N 3.11Å; V321-G325 PolarHBondContact O-N 3.1Å; V321-M329 HydrophobicContact CG1-CB 4.38Å; V321-M329 HydrophobicContact CG1-CE 4.24Å; V321-M329 HydrophobicContact CG1-CG 4.07Å; V321-M329 HydrophobicContact CG2-CE 4.23Å
322D98.6Very high98.5Very high80 Ų8069.2 Ų69.243%0.42835%0.348SS..Hα-helixtrans-64.5-43.7176.9-75.4-36.6000111.9W318 K319 K320 Y324 G325 R326W318-D322 WeakPolarHBondContact O-CB 3.11Å; W318-D322 PolarHBondContact O-N 3.44Å; K319-D322 PolarHBondContact O-N 2.95Å; K320-D322 VanDerWaalsContact C-N 3.33Å; D322-Y324 VanDerWaalsContact C-N 3.32Å; D322-Y324 PolarHBondContact O-N 2.88Å; D322-G325 PolarHBondContact O-N 3.31Å; D322-G325 VanDerWaalsContact O-N 3.13Å; D322-R326 VanDerWaalsContact CG-NH2 3.3Å; D322-R326 IonicContact OD1-CZ 2.75Å; D322-R326 IonicContact OD1-NE 3.31Å; D322-R326 PolarHBondContact OD1-NE 3.22Å; D322-R326 IonicContact OD1-NH2 3.73Å; D322-R326 PolarHBondContact OD1-NH2 3.27Å; D322-R326 IonicContact OD2-NH2 3.99Å; D322-R326 PolarHBondContact OD2-NH2 2.04Å; D322-R326 VanDerWaalsContact OD2-NH2 3.08Å
323A98.4Very high98.5Very high90 Ų9066.6 Ų66.674%0.74434%0.336SS*.Hα-helixtrans-63.6-36.1175.500000112.9K319 K320 G325K319-A323 WeakPolarHBondContact O-CB 3.23Å; K319-A323 PolarHBondContact O-N 2.8Å; K320-A323 PolarHBondContact O-N 3.19Å; A323-G325 VanDerWaalsContact C-N 3.32Å
324Y98.3Very high98.5Very high19 Ų1969 Ų698%0.07536%0.357CS..Hα-helixtrans-69.6-31.3173.7-176.6-91.6000112.6I262 L263 D266 K320 V321 D322 R328 M329 D332I262-Y324 HydrophobicContact CG2-CE1 3.76Å; I262-Y324 HydrophobicContact CG2-CE2 4.17Å; I262-Y324 WeakPolarHBondContact CG2-OH 3.1Å; L263-Y324 HydrophobicContact CD2-CD2 4.4Å; L263-Y324 HydrophobicContact CD2-CG 4.23Å; D266-Y324 HydrophobicContact CB-CD2 4.06Å; D266-Y324 HydrophobicContact CB-CE2 3.77Å; D266-Y324 WeakPolarHBondContact OD1-CE2 3.09Å; K320-Y324 WeakPolarHBondContact O-CB 3.29Å; K320-Y324 PolarHBondContact O-N 3.02Å; V321-Y324 PolarHBondContact O-N 3.11Å; D322-Y324 VanDerWaalsContact C-N 3.32Å; D322-Y324 PolarHBondContact O-N 2.88Å; Y324-R328 HydrophobicContact CD1-CB 4.34Å; Y324-R328 HydrophobicContact CD1-CG 4.35Å; Y324-R328 HydrophobicContact CE1-CB 3.94Å; Y324-R328 HydrophobicContact CE1-CG 3.56Å; Y324-R328 VanDerWaalsContact CE2-CZ 3.46Å; Y324-R328 VanDerWaalsContact CZ-NE 3.33Å; Y324-R328 PolarHBondContact OH-NE 2.76Å; Y324-R328 VanDerWaalsContact OH-NE 3.1Å; Y324-R328 PolarHBondContact OH-NH2 2.72Å; Y324-M329 HydrophobicContact CD1-CB 4Å; Y324-M329 HydrophobicContact CD1-CE 3.6Å; Y324-M329 HydrophobicContact CD1-SD 4.46Å; Y324-M329 HydrophobicContact CE1-CB 4.25Å; Y324-M329 HydrophobicContact CE1-CE 4.11Å; Y324-M329 HydrophobicContact CG-CE 3.99Å; Y324-D332 PolarHBondContact OH-OD2 3.2Å
325G98.6Very high98.5Very high25 Ų2570.1 Ų70.126%0.25836%0.361SS..  trans99.6119.9-179.900000112.6V321 D322 A323 L327 R328 M329V321-G325 PolarHBondContact O-N 3.1Å; D322-G325 PolarHBondContact O-N 3.31Å; D322-G325 VanDerWaalsContact O-N 3.13Å; A323-G325 VanDerWaalsContact C-N 3.32Å; G325-L327 PolarHBondContact O-N 3.35Å; G325-R328 PolarHBondContact O-N 3.32Å; G325-M329 WeakPolarHBondContact O-CB 3.45Å; G325-M329 PolarHBondContact O-N 3.1Å
326R98.3Very high98.6Very high134 Ų13464.5 Ų64.551%0.50633%0.334SS..Hα-helixtrans-60.2-39.6-174.5-67.2-171.5-179.7-97.3-10.6114.4D322 M329 A330D322-R326 VanDerWaalsContact CG-NH2 3.3Å; D322-R326 IonicContact OD1-CZ 2.75Å; D322-R326 IonicContact OD1-NE 3.31Å; D322-R326 PolarHBondContact OD1-NE 3.22Å; D322-R326 IonicContact OD1-NH2 3.73Å; D322-R326 PolarHBondContact OD1-NH2 3.27Å; D322-R326 IonicContact OD2-NH2 3.99Å; D322-R326 PolarHBondContact OD2-NH2 2.04Å; D322-R326 VanDerWaalsContact OD2-NH2 3.08Å; R326-M329 PolarHBondContact O-N 3.13Å; R326-A330 PolarHBondContact O-N 2.91Å
327L98.5Very high98.6Very high160 Ų16068.9 Ų68.984%0.83835%0.347SS*.Hα-helixtrans-67-42.3177.9-69.9174.2000111.8G325 K331G325-L327 PolarHBondContact O-N 3.35Å; L327-K331 PolarHBondContact O-N 3.28Å; L327-K331 VanDerWaalsContact O-N 3.17Å
328R98.4Very high98.6Very high118 Ų11874 Ų7445%0.44537%0.369SS..Hα-helixtrans-64-44.6174.8-173.2-174170.3-163.2-7.5110.5D266 Y324 G325 A330 K331 D332D266-R328 IonicContact OD1-CZ 3.15Å; D266-R328 IonicContact OD1-NH1 2.69Å; D266-R328 IonicContact OD1-NH2 2.93Å; D266-R328 PolarHBondContact OD1-NH2 3.26Å; Y324-R328 HydrophobicContact CD1-CB 4.34Å; Y324-R328 HydrophobicContact CD1-CG 4.35Å; Y324-R328 HydrophobicContact CE1-CB 3.94Å; Y324-R328 HydrophobicContact CE1-CG 3.56Å; Y324-R328 VanDerWaalsContact CE2-CZ 3.46Å; Y324-R328 VanDerWaalsContact CZ-NE 3.33Å; Y324-R328 PolarHBondContact OH-NE 2.76Å; Y324-R328 VanDerWaalsContact OH-NE 3.1Å; Y324-R328 PolarHBondContact OH-NH2 2.72Å; G325-R328 PolarHBondContact O-N 3.32Å; R328-A330 PolarHBondContact O-N 2.7Å; R328-K331 PolarHBondContact O-N 3.42Å; R328-D332 PolarHBondContact O-N 3.31Å
329M98.7Very high98.6Very high6 Ų673.8 Ų73.83%0.0337%0.368CS..Hα-helixtrans-55.5-51.3176.3-176.660.171.500111.5E259 I262 L263 V321 Y324 G325 R326 K331 D332 V333E259-M329 HydrophobicContact CB-CG 4.45Å; E259-M329 HydrophobicContact CB-SD 3.88Å; E259-M329 HydrophobicContact CG-CG 3.96Å; E259-M329 HydrophobicContact CG-SD 3.98Å; I262-M329 HydrophobicContact CB-CE 4.3Å; I262-M329 HydrophobicContact CB-SD 3.7Å; I262-M329 HydrophobicContact CG1-SD 4.26Å; I262-M329 HydrophobicContact CG2-CE 4.02Å; I262-M329 HydrophobicContact CG2-SD 3.66Å; L263-M329 HydrophobicContact CD2-CE 3.62Å; L263-M329 HydrophobicContact CG-CE 3.79Å; V321-M329 HydrophobicContact CG1-CB 4.38Å; V321-M329 HydrophobicContact CG1-CE 4.24Å; V321-M329 HydrophobicContact CG1-CG 4.07Å; V321-M329 HydrophobicContact CG2-CE 4.23Å; Y324-M329 HydrophobicContact CD1-CB 4Å; Y324-M329 HydrophobicContact CD1-CE 3.6Å; Y324-M329 HydrophobicContact CD1-SD 4.46Å; Y324-M329 HydrophobicContact CE1-CB 4.25Å; Y324-M329 HydrophobicContact CE1-CE 4.11Å; Y324-M329 HydrophobicContact CG-CE 3.99Å; G325-M329 WeakPolarHBondContact O-CB 3.45Å; G325-M329 PolarHBondContact O-N 3.1Å; R326-M329 PolarHBondContact O-N 3.13Å; M329-K331 VanDerWaalsContact C-N 3.3Å; M329-K331 PolarHBondContact O-N 3.06Å; M329-D332 PolarHBondContact O-N 2.92Å; M329-V333 HydrophobicContact CG-CG2 4.37Å; M329-V333 WeakPolarHBondContact O-CB 3.2Å; M329-V333 VanDerWaalsContact O-CG2 3.3Å; M329-V333 WeakPolarHBondContact O-CG2 3.33Å; M329-V333 PolarHBondContact O-N 3.45Å; M329-V333 HydrophobicContact SD-CG2 4Å
330A98.8Very high98.5Very high64 Ų6467.9 Ų67.953%0.52934%0.344SS..Hα-helixtrans-60.2-39.8-18000000112.5R326 R328 A334R326-A330 PolarHBondContact O-N 2.91Å; R328-A330 PolarHBondContact O-N 2.7Å; A330-A334 WeakPolarHBondContact O-CB 3.33Å; A330-A334 PolarHBondContact O-N 2.7Å
331K98.8Very high98.5Very high156 Ų15671.4 Ų71.468%0.67836%0.359SS*.Hα-helixtrans-64.6-49.1176.6-176.5-174.6175.9-173.80111.8L327 R328 M329 A334 E335L327-K331 PolarHBondContact O-N 3.28Å; L327-K331 VanDerWaalsContact O-N 3.17Å; R328-K331 PolarHBondContact O-N 3.42Å; M329-K331 VanDerWaalsContact C-N 3.3Å; M329-K331 PolarHBondContact O-N 3.06Å; K331-A334 WeakPolarHBondContact O-CB 3.09Å; K331-A334 PolarHBondContact O-N 3.22Å; K331-E335 PolarHBondContact O-N 3.21Å
332D98.6Very high98.4Very high35 Ų3574.5 Ų74.519%0.18737%0.373CS..Hα-helixtrans-70.5-35.1-175.8-76.421000111.4I262 Y324 R328 M329 E335 L336I262-D332 HydrophobicContact CD1-CB 3.96Å; I262-D332 HydrophobicContact CG1-CB 4.16Å; I262-D332 HydrophobicContact CG2-CB 3.98Å; Y324-D332 PolarHBondContact OH-OD2 3.2Å; R328-D332 PolarHBondContact O-N 3.31Å; M329-D332 PolarHBondContact O-N 2.92Å; D332-E335 PolarHBondContact O-N 2.98Å; D332-L336 WeakPolarHBondContact O-CB 3.02Å; D332-L336 PolarHBondContact O-N 3.35Å
333V98.8Very high98.3Very high5 Ų571.1 Ų71.13%0.0336%0.355CS..Hα-helixtrans-63.5-42.8169.91680000111.4E258 E259 I262 M329 E335 L336 R337E258-V333 HydrophobicContact CB-CG1 4.05Å; E258-V333 HydrophobicContact CB-CG2 4.39Å; E259-V333 HydrophobicContact CG-CG2 4.03Å; I262-V333 HydrophobicContact CG1-CG2 3.83Å; M329-V333 HydrophobicContact CG-CG2 4.37Å; M329-V333 WeakPolarHBondContact O-CB 3.2Å; M329-V333 VanDerWaalsContact O-CG2 3.3Å; M329-V333 WeakPolarHBondContact O-CG2 3.33Å; M329-V333 PolarHBondContact O-N 3.45Å; M329-V333 HydrophobicContact SD-CG2 4Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.41Å; V333-L336 PolarHBondContact O-N 2.94Å; V333-R337 WeakPolarHBondContact O-CB 3.27Å; V333-R337 WeakPolarHBondContact O-CG 3.29Å; V333-R337 PolarHBondContact O-N 3.37Å
334A98.8Very high98.2Very high55 Ų5567.8 Ų67.846%0.45533%0.327SS..Hα-helixtrans-62.5-40177.200000111.9A330 K331 R337 K338A330-A334 WeakPolarHBondContact O-CB 3.33Å; A330-A334 PolarHBondContact O-N 2.7Å; K331-A334 WeakPolarHBondContact O-CB 3.09Å; K331-A334 PolarHBondContact O-N 3.22Å; A334-R337 PolarHBondContact O-N 3.22Å; A334-K338 WeakPolarHBondContact O-CB 3.38Å; A334-K338 PolarHBondContact O-N 3.5Å
335E98.7Very high98.1Very high71 Ų7170.3 Ų70.333%0.33235%0.348SS..Hα-helixtrans-67.2-43.7174.9-173.358.6-154.800111.6L272 K331 D332 V333 R337 K338 R339L272-E335 HydrophobicContact CD2-CB 4.19Å; L272-E335 HydrophobicContact CD2-CG 3.58Å; K331-E335 PolarHBondContact O-N 3.21Å; D332-E335 PolarHBondContact O-N 2.98Å; V333-E335 VanDerWaalsContact C-N 3.32Å; V333-E335 PolarHBondContact O-N 3.41Å; E335-R337 VanDerWaalsContact C-N 3.33Å; E335-R337 PolarHBondContact O-N 3.36Å; E335-K338 WeakPolarHBondContact O-CB 3.4Å; E335-K338 PolarHBondContact O-N 2.87Å; E335-K338 IonicContact OE2-NZ 3.52Å; E335-R339 HydrophobicContact CG-CG 4.33Å; E335-R339 WeakPolarHBondContact O-CB 3.38Å; E335-R339 VanDerWaalsContact O-CG 3.29Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.48Å; E335-R339 WeakPolarHBondContact OE1-CG 3.31Å
336L98.8Very high98Very high0 Ų071.8 Ų71.80%035%0.349CS..Hα-helixtrans-56-47.2174.5-179.157.6000111.7E258 L261 I262 L272 L275 L276 F277 D332 V333 K338 R339 N340E258-L336 HydrophobicContact CB-CD2 4.33Å; L261-L336 HydrophobicContact CB-CD2 4.18Å; L261-L336 HydrophobicContact CD1-CD2 4.29Å; I262-L336 HydrophobicContact CD1-CB 4.36Å; I262-L336 HydrophobicContact CD1-CD2 4.13Å; L272-L336 HydrophobicContact CD1-CB 4.11Å; L272-L336 HydrophobicContact CD1-CD1 4.05Å; L275-L336 HydrophobicContact CB-CD1 4.35Å; L276-L336 HydrophobicContact CD2-CD1 4.07Å; F277-L336 HydrophobicContact CE1-CD2 4.31Å; D332-L336 WeakPolarHBondContact O-CB 3.02Å; D332-L336 PolarHBondContact O-N 3.35Å; V333-L336 PolarHBondContact O-N 2.94Å; L336-K338 PolarHBondContact O-N 2.9Å; L336-R339 PolarHBondContact O-N 3.41Å; L336-N340 WeakPolarHBondContact O-CB 3.33Å; L336-N340 PolarHBondContact O-N 3.41Å; L336-N340 PolarHBondContact O-ND2 3.23Å
337R98.5Very high97.9Very high127 Ų12765.4 Ų65.448%0.47933%0.325SS..Hα-helixtrans-59.4-45.4176.8-78.5173.9177.7161.98.2112.1E258 V333 A334 E335 N340 K341E258-R337 WeakPolarHBondContact OE1-CG 3.38Å; E258-R337 IonicContact OE1-NE 3.77Å; E258-R337 PolarHBondContact OE1-NE 3.38Å; E258-R337 IonicContact OE2-CZ 2.68Å; E258-R337 IonicContact OE2-NE 3.21Å; E258-R337 PolarHBondContact OE2-NE 3.07Å; E258-R337 IonicContact OE2-NH2 3.88Å; E258-R337 PolarHBondContact OE2-NH2 3.21Å; V333-R337 WeakPolarHBondContact O-CB 3.27Å; V333-R337 WeakPolarHBondContact O-CG 3.29Å; V333-R337 PolarHBondContact O-N 3.37Å; A334-R337 PolarHBondContact O-N 3.22Å; E335-R337 VanDerWaalsContact C-N 3.33Å; E335-R337 PolarHBondContact O-N 3.36Å; R337-N340 PolarHBondContact O-N 2.92Å; R337-K341 WeakPolarHBondContact O-CB 3.31Å; R337-K341 PolarHBondContact O-N 2.77Å
338K98.6Very high97.8Very high108 Ų10858.1 Ų58.147%0.4729%0.287SS..Hα-helixtrans-60.3-51177.8178.4-172.1164-156.20110.9A334 E335 L336 N340 K341 E342A334-K338 WeakPolarHBondContact O-CB 3.38Å; A334-K338 PolarHBondContact O-N 3.5Å; E335-K338 WeakPolarHBondContact O-CB 3.4Å; E335-K338 PolarHBondContact O-N 2.87Å; E335-K338 IonicContact OE2-NZ 3.52Å; L336-K338 PolarHBondContact O-N 2.9Å; K338-N340 PolarHBondContact O-N 3.48Å; K338-K341 WeakPolarHBondContact O-CB 3.28Å; K338-K341 PolarHBondContact O-N 3.27Å; K338-K341 VanDerWaalsContact O-N 3.15Å; K338-E342 WeakPolarHBondContact CE-OE1 3.47Å; K338-E342 WeakPolarHBondContact O-CG 3.29Å; K338-E342 PolarHBondContact O-N 3.45Å
339R98.1Very high97.7Very high66 Ų6655.8 Ų55.825%0.24928%0.281CS..Hα-helixtrans-61.3-40.6178.8-67.3-66.4-56.6151.8-2.8112.6L272 D273 L276 E335 L336 E342 M343L272-R339 HydrophobicContact CD2-CG 4.29Å; D273-R339 IonicContact OD1-CZ 2.7Å; D273-R339 IonicContact OD1-NE 3.7Å; D273-R339 IonicContact OD1-NH2 3.93Å; D273-R339 PolarHBondContact OD1-NH2 3.25Å; L276-R339 HydrophobicContact CD2-CB 3.47Å; L276-R339 VanDerWaalsContact CD2-CB 3.47Å; L276-R339 HydrophobicContact CD2-CG 4.44Å; E335-R339 HydrophobicContact CG-CG 4.33Å; E335-R339 WeakPolarHBondContact O-CB 3.38Å; E335-R339 VanDerWaalsContact O-CG 3.29Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.48Å; E335-R339 WeakPolarHBondContact OE1-CG 3.31Å; L336-R339 PolarHBondContact O-N 3.41Å; R339-E342 IonicContact CZ-OE2 3.72Å; R339-E342 IonicContact NH1-OE2 3.24Å; R339-E342 PolarHBondContact NH1-OE2 3.46Å; R339-E342 PolarHBondContact O-N 3.14Å; R339-M343 WeakPolarHBondContact O-CB 3.4Å; R339-M343 PolarHBondContact O-N 2.82Å
340N97.9Very high97.4Very high16 Ų1658.7 Ų58.79%0.08631%0.312CS..Hα-helixtrans-63.1-41.1174.1-81-25.5000112.2L276 F277 L336 R337 K338 M343 A344L276-N340 VanDerWaalsContact CA-OD1 3.22Å; L276-N340 WeakPolarHBondContact CA-OD1 3.35Å; F277-N340 WeakPolarHBondContact CD1-ND2 3.5Å; F277-N340 WeakPolarHBondContact CE1-ND2 3.28Å; F277-N340 PolarHBondContact N-OD1 3.44Å; F277-N340 PolarHBondContact O-OD1 3.39Å; L336-N340 WeakPolarHBondContact O-CB 3.33Å; L336-N340 PolarHBondContact O-N 3.41Å; L336-N340 PolarHBondContact O-ND2 3.23Å; R337-N340 PolarHBondContact O-N 2.92Å; K338-N340 PolarHBondContact O-N 3.48Å; N340-M343 PolarHBondContact O-N 3.2Å; N340-A344 VanDerWaalsContact O-CB 3.3Å; N340-A344 WeakPolarHBondContact O-CB 3.16Å; N340-A344 PolarHBondContact O-N 3.09Å
341K97.1Very high97Very high162 Ų16258 Ų5870%0.70431%0.312SS*.Hα-helixtrans-65.3-42.5176.9-174.1177.8180-1800111.9R337 K338 A344 S345R337-K341 WeakPolarHBondContact O-CB 3.31Å; R337-K341 PolarHBondContact O-N 2.77Å; K338-K341 WeakPolarHBondContact O-CB 3.28Å; K338-K341 PolarHBondContact O-N 3.27Å; K338-K341 VanDerWaalsContact O-N 3.15Å; K341-A344 PolarHBondContact O-N 3.15Å; K341-S345 PolarHBondContact O-N 3.11Å
342E96.6Very high96.7Very high67 Ų6757 Ų5731%0.31331%0.31SS..Hα-helixtrans-58.4-51.1173.3-71.5169.7-176.300110.4K338 R339 A344 S345 I346K338-E342 WeakPolarHBondContact CE-OE1 3.47Å; K338-E342 WeakPolarHBondContact O-CG 3.29Å; K338-E342 PolarHBondContact O-N 3.45Å; R339-E342 IonicContact CZ-OE2 3.72Å; R339-E342 IonicContact NH1-OE2 3.24Å; R339-E342 PolarHBondContact NH1-OE2 3.46Å; R339-E342 PolarHBondContact O-N 3.14Å; E342-A344 VanDerWaalsContact C-N 3.32Å; E342-A344 PolarHBondContact O-N 3.37Å; E342-S345 PolarHBondContact O-N 3.3Å; E342-S345 VanDerWaalsContact O-N 3.16Å; E342-S345 PolarHBondContact O-OG 3.29Å; E342-I346 WeakPolarHBondContact O-CG1 3.42Å; E342-I346 PolarHBondContact O-N 2.88Å
343M96.7Very high96.5Very high9 Ų956.9 Ų56.94%0.04431%0.313CS..Hα-helixtrans-62.5-38.4179.2-164.557.669.900112.1L276 F278 R339 N340 S345 I346 C347 L391 M395L276-M343 HydrophobicContact CD1-CE 3.96Å; F278-M343 HydrophobicContact CE1-CB 4.24Å; F278-M343 HydrophobicContact CE1-CG 4.28Å; F278-M343 HydrophobicContact CZ-CB 4.17Å; F278-M343 HydrophobicContact CZ-CG 3.77Å; R339-M343 WeakPolarHBondContact O-CB 3.4Å; R339-M343 PolarHBondContact O-N 2.82Å; N340-M343 PolarHBondContact O-N 3.2Å; M343-S345 PolarHBondContact O-N 3.41Å; M343-I346 PolarHBondContact O-N 3.08Å; M343-C347 WeakPolarHBondContact O-CB 3.18Å; M343-C347 PolarHBondContact O-N 3.35Å; M343-C347 PolarHBondContact O-SG 3.46Å; M343-C347 VanDerWaalsContact SD-SG 3.64Å; M343-L391 HydrophobicContact CE-CD2 4Å; M343-L391 HydrophobicContact SD-CD2 4.38Å; M343-M395 HydrophobicContact CG-CE 3.77Å; M343-M395 HydrophobicContact CG-SD 3.63Å; M343-M395 HydrophobicContact SD-SD 4.3Å
344A96.8Very high96.2Very high20 Ų2058.1 Ų58.117%0.16532%0.321CS..Hα-helixtrans-61.3-43.2175.100000111.7F278 N340 K341 E342 I346 C347 I348F278-A344 HydrophobicContact CD1-CB 4.45Å; F278-A344 HydrophobicContact CE1-CB 3.79Å; F278-A344 HydrophobicContact CZ-CB 4.49Å; N340-A344 VanDerWaalsContact O-CB 3.3Å; N340-A344 WeakPolarHBondContact O-CB 3.16Å; N340-A344 PolarHBondContact O-N 3.09Å; K341-A344 PolarHBondContact O-N 3.15Å; E342-A344 VanDerWaalsContact C-N 3.32Å; E342-A344 PolarHBondContact O-N 3.37Å; A344-I346 PolarHBondContact O-N 3.3Å; A344-C347 PolarHBondContact O-N 3.13Å; A344-I348 HydrophobicContact CB-CD1 3.88Å; A344-I348 WeakPolarHBondContact O-CB 3.14Å; A344-I348 PolarHBondContact O-N 2.56Å
345S96.1Very high95.9Very high73 Ų7359.4 Ų59.451%0.5132%0.318SS..Hα-helixtrans-64.3-29.5177.877.20000113.6K341 E342 M343 K381K341-S345 PolarHBondContact O-N 3.11Å; E342-S345 PolarHBondContact O-N 3.3Å; E342-S345 VanDerWaalsContact O-N 3.16Å; E342-S345 PolarHBondContact O-OG 3.29Å; M343-S345 PolarHBondContact O-N 3.41Å; S345-K381 PolarHBondContact O-NZ 3.35Å
346I96.4Very high95.5Very high55 Ų5556.5 Ų56.528%0.28231%0.305SS..Hα-helixtrans-76.4-47.7176.1-65.2165.8000109.8E342 M343 A344 K381 V384 H388E342-I346 WeakPolarHBondContact O-CG1 3.42Å; E342-I346 PolarHBondContact O-N 2.88Å; M343-I346 PolarHBondContact O-N 3.08Å; A344-I346 PolarHBondContact O-N 3.3Å; I346-K381 WeakPolarHBondContact O-CD 3.29Å; I346-V384 HydrophobicContact CG2-CG1 4.46Å; I346-V384 WeakPolarHBondContact O-CG2 3.49Å; I346-H388 HydrophobicContact CG2-CB 3.95Å
347C97Very high95Very high0 Ų059.7 Ų59.70%034%0.339CS..Hα-helixtrans-93.2-31.4-165.5-61.30000115.5F278 M343 A344 K381 C392 L396F278-C347 HydrophobicContact CE2-CB 3.82Å; F278-C347 HydrophobicContact CZ-CB 3.81Å; M343-C347 WeakPolarHBondContact O-CB 3.18Å; M343-C347 PolarHBondContact O-N 3.35Å; M343-C347 PolarHBondContact O-SG 3.46Å; M343-C347 VanDerWaalsContact SD-SG 3.64Å; A344-C347 PolarHBondContact O-N 3.13Å; C347-K381 WeakPolarHBondContact O-CB 3.48Å; C347-K381 PolarHBondContact O-N 2.97Å; C347-C392 WeakPolarHBondContact CA-SG 3.34Å; C347-C392 HydrophobicContact CB-CB 3.49Å; C347-C392 VanDerWaalsContact CB-CB 3.49Å; C347-C392 WeakPolarHBondContact CB-SG 3.38Å; C347-C392 WeakPolarHBondContact SG-CA 3.38Å; C347-C392 WeakPolarHBondContact SG-CB 3.25Å; C347-C392 CovalentContact SG-SG 2.03Å; C347-C392 PolarHBondContact SG-SG 2.81Å; C347-L396 HydrophobicContact CB-CD1 4.39Å
348I96.5Very high94.7Very high7 Ų757 Ų574%0.03634%0.34CS..BIsolated β-bridgetrans-102.6120-164.2-56.8176.9000110.6F278 A344 G350 G351 Y378 L396F278-I348 HydrophobicContact CD1-CD1 4Å; F278-I348 HydrophobicContact CD2-CD1 4.32Å; F278-I348 HydrophobicContact CE1-CD1 4.07Å; F278-I348 HydrophobicContact CE2-CD1 4.35Å; F278-I348 HydrophobicContact CE2-CG1 4.33Å; F278-I348 HydrophobicContact CG-CD1 4.13Å; F278-I348 HydrophobicContact CZ-CD1 4.21Å; F278-I348 HydrophobicContact CZ-CG1 4.32Å; A344-I348 HydrophobicContact CB-CD1 3.88Å; A344-I348 WeakPolarHBondContact O-CB 3.14Å; A344-I348 PolarHBondContact O-N 2.56Å; I348-G350 PolarHBondContact O-N 3.35Å; I348-G351 PolarHBondContact O-N 3.16Å; I348-G351 VanDerWaalsContact O-N 3.1Å; I348-Y378 HydrophobicContact CD1-CD1 3.79Å; I348-Y378 HydrophobicContact CD1-CE1 3.8Å; I348-Y378 HydrophobicContact CG1-CD1 4.26Å; I348-Y378 HydrophobicContact CG2-CD1 3.75Å; I348-Y378 HydrophobicContact CG2-CE1 4.46Å; I348-L396 HydrophobicContact CD1-CD2 4.13Å; I348-L396 HydrophobicContact CG1-CD2 3.7Å
349E95.8Very high94.4Very high70 Ų7052.3 Ų52.333%0.32732%0.319SS..G310 helixtrans-62.5124.8172.3-171.171.3-139.800109.5G351 N379 K381 K382E349-G351 PolarHBondContact O-N 3.15Å; E349-G351 VanDerWaalsContact O-N 3.15Å; E349-N379 HydrophobicContact CB-CB 3.73Å; E349-N379 WeakPolarHBondContact CB-O 3.09Å; E349-N379 HydrophobicContact CG-CB 4.4Å; E349-N379 PolarHBondContact N-O 2.84Å; E349-K381 HydrophobicContact CB-CB 4.48Å; E349-K381 VanDerWaalsContact OE2-CA 3.3Å; E349-K381 WeakPolarHBondContact OE2-CA 3.3Å; E349-K382 PolarHBondContact OE2-N 2.91Å; E349-K382 VanDerWaalsContact OE2-N 3.13Å
350G92Very high94.1Very high66 Ų6654.9 Ų54.968%0.6833%0.334SS*.G310 helixtrans68.92.7-175.800000115.3I348 Q352I348-G350 PolarHBondContact O-N 3.35Å; G350-Q352 PolarHBondContact O-N 3.34Å
351G91.4Very high93.8Very high51 Ų5157.2 Ų57.253%0.52634%0.344SS..G310 helixtrans69.67.5173.800000116.3I348 E349I348-G351 PolarHBondContact O-N 3.16Å; I348-G351 VanDerWaalsContact O-N 3.1Å; E349-G351 PolarHBondContact O-N 3.15Å; E349-G351 VanDerWaalsContact O-N 3.15Å
352Q91.8Very high93.3Very high134 Ų13454.2 Ų54.263%0.62634%0.34SS*.SBendtrans-142.6162.6-175.164.3-174.7-18.300113.2G350G350-Q352 PolarHBondContact O-N 3.34Å
353A93.4Very high92.8Very high32 Ų3255.5 Ų55.526%0.26435%0.349SS..  trans-70.7147.5172.700000110.7M376 G377 Y378A353-M376 HydrophobicContact CB-CB 4.09Å; A353-G377 CarbonylContact C-O 3.22Å; A353-G377 WeakPolarHBondContact CA-O 3.41Å; A353-G377 WeakPolarHBondContact CB-O 3.47Å; A353-Y378 HydrophobicContact CB-CD1 4.02Å; A353-Y378 HydrophobicContact CB-CE1 3.56Å
354V93.9Very high92.5Very high31 Ų3155.3 Ų55.319%0.18835%0.348CS..BIsolated β-bridgetrans-123.5158.4179.6-610000110.9I359 M376 G377V354-I359 HydrophobicContact CG2-CG1 3.71Å; V354-M376 WeakPolarHBondContact O-CA 3.36Å; V354-G377 PolarHBondContact N-O 3.46Å; V354-G377 PolarHBondContact O-N 3.25Å
355E92.4Very high92.3Very high83 Ų8358 Ų5839%0.38836%0.357SS..  trans-63.2150.3175.2-61.9-171.1-161.700110.5K284 G357 S358 M376K284-E355 WeakPolarHBondContact CE-OE1 3.04Å; K284-E355 IonicContact NZ-OE1 3.39Å; K284-E355 PolarHBondContact NZ-OE1 2.84Å; K284-E355 IonicContact NZ-OE2 3.46Å; K284-E355 PolarHBondContact NZ-OE2 2.85Å; E355-G357 PolarHBondContact O-N 3.22Å; E355-G357 VanDerWaalsContact O-N 3.08Å; E355-S358 WeakPolarHBondContact O-CB 2.96Å; E355-S358 PolarHBondContact O-N 3.16Å; E355-M376 HydrophobicContact CB-SD 4.28Å; E355-M376 HydrophobicContact CG-CE 3.82Å; E355-M376 HydrophobicContact CG-SD 3.74Å; E355-M376 VanDerWaalsContact N-CE 3.35Å
356A88.9Confident92.1Very high9 Ų954.9 Ų54.97%0.07434%0.335CS..G310 helixtrans-55.1-33.5-175.200000113.7S358 I359A356-S358 VanDerWaalsContact C-N 3.27Å; A356-S358 PolarHBondContact O-N 3.49Å; A356-I359 PolarHBondContact O-N 2.94Å
357G88.3Confident91.7Very high68 Ų6856 Ų5670%0.70134%0.336SS*.G310 helixtrans-72-15.5176.900000114.9E355E355-G357 PolarHBondContact O-N 3.22Å; E355-G357 VanDerWaalsContact O-N 3.08Å
358S92.6Very high91.2Very high71 Ų7156.8 Ų56.850%0.49734%0.34SS..G310 helixtrans-992.9179.1-550000113.1E355 A356 N379E355-S358 WeakPolarHBondContact O-CB 2.96Å; E355-S358 PolarHBondContact O-N 3.16Å; A356-S358 VanDerWaalsContact C-N 3.27Å; A356-S358 PolarHBondContact O-N 3.49Å; S358-N379 PolarHBondContact O-ND2 3.25Å
359I93.5Very high90.5Very high8 Ų856.9 Ų56.94%0.04134%0.341CS..  trans-81.6120.8176.8-59.7173.2000109V354 A356 E361 M364 Q365 P366 N379V354-I359 HydrophobicContact CG2-CG1 3.71Å; A356-I359 PolarHBondContact O-N 2.94Å; I359-E361 WeakPolarHBondContact CG2-O 3.32Å; I359-M364 HydrophobicContact CG2-CB 3.76Å; I359-Q365 HydrophobicContact CB-CG 4.05Å; I359-Q365 HydrophobicContact CD1-CG 4.48Å; I359-Q365 HydrophobicContact CG2-CG 4.02Å; I359-P366 VanDerWaalsContact CD1-CD 3.4Å; I359-P366 HydrophobicContact CD1-CG 4.35Å; I359-N379 WeakPolarHBondContact CA-OD1 3.4Å
360Q91.3Very high89.5Confident121 Ų12156.1 Ų56.157%0.56534%0.338SS*.SBendtrans-74.6-37.8-172.3-63.8175.219.100112.4N379Q360-N379 PolarHBondContact N-OD1 3.1Å
361E91.4Very high88.6Confident64 Ų6454.2 Ų54.230%0.29932%0.319SS..  trans-94.3123.7179.8-65.9-174.3-149.600110.7I359 D363 M364 R393I359-E361 WeakPolarHBondContact CG2-O 3.32Å; E361-D363 PolarHBondContact O-N 2.73Å; E361-M364 HydrophobicContact CB-CB 4.12Å; E361-M364 HydrophobicContact CB-CG 3.89Å; E361-M364 PolarHBondContact O-N 3.1Å; E361-R393 IonicContact OE1-NH1 3.24Å; E361-R393 IonicContact OE2-CZ 3.08Å; E361-R393 IonicContact OE2-NH1 2.65Å; E361-R393 PolarHBondContact OE2-NH1 3.43Å; E361-R393 IonicContact OE2-NH2 2.8Å; E361-R393 PolarHBondContact OE2-NH2 3.11Å
362T86.9Confident87.9Confident99 Ų9955.6 Ų55.661%0.60731%0.312SS*.G310 helixtrans-58.3-36.1178.1500000112.4M364 Q365T362-M364 PolarHBondContact O-N 3.39Å; T362-Q365 WeakPolarHBondContact O-CB 3.45Å; T362-Q365 PolarHBondContact O-N 2.75Å
363D86.5Confident87.4Confident95 Ų9556.9 Ų56.951%0.50832%0.315SS..G310 helixtrans-75.5-2.4-179.2-60.3-12.1000112.8E361 Q401E361-D363 PolarHBondContact O-N 2.73Å; D363-Q401 WeakPolarHBondContact O-CG 3.33Å
364M90.6Very high86.9Confident4 Ų455.7 Ų55.72%0.0231%0.305CS..G310 helixtrans-1060.8173.7-67.1-64.8171.400112.9I359 E361 T362 P366 R393 L396 M397 P398I359-M364 HydrophobicContact CG2-CB 3.76Å; E361-M364 HydrophobicContact CB-CB 4.12Å; E361-M364 HydrophobicContact CB-CG 3.89Å; E361-M364 PolarHBondContact O-N 3.1Å; T362-M364 PolarHBondContact O-N 3.39Å; M364-P366 WeakPolarHBondContact O-CD 3.47Å; M364-R393 HydrophobicContact CE-CB 4.37Å; M364-R393 HydrophobicContact CE-CG 3.3Å; M364-L396 HydrophobicContact SD-CB 4.38Å; M364-M397 HydrophobicContact SD-CB 4.36Å; M364-P398 WeakPolarHBondContact O-CG 3.48Å
365Q91Very high86.7Confident77 Ų7754.7 Ų54.736%0.3630%0.298SS..PPolyproline II helixtrans-77.4121.7-178.9-69.7-174-500111.4I359 T362 Q401I359-Q365 HydrophobicContact CB-CG 4.05Å; I359-Q365 HydrophobicContact CD1-CG 4.48Å; I359-Q365 HydrophobicContact CG2-CG 4.02Å; T362-Q365 WeakPolarHBondContact O-CB 3.45Å; T362-Q365 PolarHBondContact O-N 2.75Å; Q365-Q401 PolarHBondContact O-NE2 3.35Å
366P91.5Very high86.7Confident7 Ų752.3 Ų52.35%0.04529%0.287CS..PPolyproline II helixtrans-71.5151178.327.6-30.6000111.1I359 M364 Q368 I375 P398I359-P366 VanDerWaalsContact CD1-CD 3.4Å; I359-P366 HydrophobicContact CD1-CG 4.35Å; M364-P366 WeakPolarHBondContact O-CD 3.47Å; P366-Q368 PolarHBondContact O-N 3.15Å; P366-Q368 PolarHBondContact O-NE2 2.97Å; P366-Q368 VanDerWaalsContact O-NE2 3.08Å; P366-I375 HydrophobicContact CB-CG2 3.91Å; P366-I375 HydrophobicContact CG-CG2 4.06Å; P366-P398 HydrophobicContact CB-CB 4.29Å; P366-P398 HydrophobicContact CB-CG 4.31Å
367W88.3Confident87Confident78 Ų7852.2 Ų52.230%0.29529%0.287SS..PPolyproline II helixtrans-61.5124.4173-177.8-87.5000110.4I400 T413 W416 R420W367-I400 HydrophobicContact CB-CG1 4.4Å; W367-T413 HydrophobicContact CH2-CG2 4.36Å; W367-T413 WeakPolarHBondContact CH2-O 3.34Å; W367-T413 HydrophobicContact CZ3-CG2 4.11Å; W367-W416 HydrophobicContact CH2-CB 4.44Å; W367-R420 VanDerWaalsContact CE2-NH1 3.28Å
368Q87.9Confident87.3Confident18 Ų1850.2 Ų50.28%0.08426%0.259CS..PPolyproline II helixtrans-89154.3177.8-60.2-56.5-49.500111.1P366 K373 I375 R420P366-Q368 PolarHBondContact O-N 3.15Å; P366-Q368 PolarHBondContact O-NE2 2.97Å; P366-Q368 VanDerWaalsContact O-NE2 3.08Å; Q368-K373 HydrophobicContact CG-CG 4.35Å; Q368-I375 PolarHBondContact NE2-O 3.37Å; Q368-R420 PolarHBondContact O-NH1 2.93Å
369P80.9Confident87.5Confident9 Ų947.5 Ų47.56%0.05824%0.239CC..PPolyproline II helixtrans-64.5164.4162.426.2-31.7000111.2Y178 E372Y178-P369 HydrophobicContact CD2-CB 3.97Å; Y178-P369 HydrophobicContact CD2-CG 4.35Å; Y178-P369 HydrophobicContact CE2-CB 4.13Å; P369-E372 WeakPolarHBondContact CD-O 3.29Å; P369-E372 HydrophobicContact CG-CB 4.18Å; P369-E372 WeakPolarHBondContact CG-O 3Å
370I75.6Confident87.6Confident53 Ų5347.8 Ų47.827%0.27224%0.241SC..THydrogen-bonded Turntrans-65137.7174.1-63.1178.6000108.4R181 V182 E372 R420R181-I370 HydrophobicContact CB-CB 4.48Å; R181-I370 WeakPolarHBondContact CD-O 3.44Å; R181-I370 PolarHBondContact NH1-O 2.89Å; V182-I370 HydrophobicContact CG1-CD1 3.7Å; I370-E372 PolarHBondContact O-N 3.03Å; I370-E372 VanDerWaalsContact O-N 3.13Å; I370-R420 HydrophobicContact CG1-CG 4.43Å
371G72.5Confident87.8Confident27 Ų2745.2 Ų45.228%0.27823%0.227SC..THydrogen-bonded Turntrans639.5175.500000117.5R181 W425R181-G371 VanDerWaalsContact CZ-O 3.31Å; R181-G371 PolarHBondContact NH1-O 2.9Å; R181-G371 PolarHBondContact NH2-O 3.45Å; G371-W425 VanDerWaalsContact CA-O 3.23Å; G371-W425 WeakPolarHBondContact CA-O 3.36Å; G371-W425 WeakPolarHBondContact CA-OXT 3.41Å; G371-W425 PolarHBondContact N-O 3.05Å
372E76.5Confident87.7Confident80 Ų8048.8 Ų48.837%0.37424%0.242SC..  trans-146.9135.1176.6-166.3-169.3-161.800110.7P369 I370 S374P369-E372 WeakPolarHBondContact CD-O 3.29Å; P369-E372 HydrophobicContact CG-CB 4.18Å; P369-E372 WeakPolarHBondContact CG-O 3Å; I370-E372 PolarHBondContact O-N 3.03Å; I370-E372 VanDerWaalsContact O-N 3.13Å; E372-S374 VanDerWaalsContact CD-OG 3.28Å; E372-S374 WeakPolarHBondContact OE1-CB 3.44Å; E372-S374 WeakPolarHBondContact OE2-CB 3.4Å; E372-S374 PolarHBondContact OE2-OG 3.27Å
373K80.6Confident87.9Confident161 Ų16149.9 Ų49.970%0.724%0.244SC*.  trans-102.859.1174.5-65.5-174.6-178.3177.20110.9Q368Q368-K373 HydrophobicContact CG-CG 4.35Å
374S83.6Confident88.2Confident7 Ų745.9 Ų45.95%0.04922%0.223CC..  trans-94.2-10.3-172.655.80000114.6R283 K284 E372R283-S374 CarbonylContact C-O 3.55Å; R283-S374 WeakPolarHBondContact CA-O 3.44Å; K284-S374 PolarHBondContact N-O 3.39Å; E372-S374 VanDerWaalsContact CD-OG 3.28Å; E372-S374 WeakPolarHBondContact OE1-CB 3.44Å; E372-S374 WeakPolarHBondContact OE2-CB 3.4Å; E372-S374 PolarHBondContact OE2-OG 3.27Å
375I89.3Confident88.2Confident9 Ų950.6 Ų50.65%0.04625%0.248CC..BIsolated β-bridgetrans-90.7118.7-177.1-52.5-59.1000110.1N281 P366 Q368N281-I375 HydrophobicContact CB-CG2 3.89Å; P366-I375 HydrophobicContact CB-CG2 3.91Å; P366-I375 HydrophobicContact CG-CG2 4.06Å; Q368-I375 PolarHBondContact NE2-O 3.37Å
376M93.1Very high88.1Confident33 Ų3356.1 Ų56.116%0.16327%0.271CS..  trans-79.9153.6179.5-53.7-67.8-76.400111A282 K284 A353 V354 E355A282-M376 WeakPolarHBondContact O-CB 3.41Å; A282-M376 WeakPolarHBondContact O-CG 3.25Å; A282-M376 PolarHBondContact O-N 2.99Å; K284-M376 HydrophobicContact CB-CG 4.44Å; K284-M376 HydrophobicContact CB-SD 3.99Å; K284-M376 HydrophobicContact CG-SD 4.41Å; A353-M376 HydrophobicContact CB-CB 4.09Å; V354-M376 WeakPolarHBondContact O-CA 3.36Å; E355-M376 HydrophobicContact CB-SD 4.28Å; E355-M376 HydrophobicContact CG-CE 3.82Å; E355-M376 HydrophobicContact CG-SD 3.74Å; E355-M376 VanDerWaalsContact N-CE 3.35Å
377G94.4Very high88Confident7 Ų761.3 Ų61.37%0.07230%0.303CS..BIsolated β-bridgetrans-138.4-161.3173.500000111.4A353 V354A353-G377 CarbonylContact C-O 3.22Å; A353-G377 WeakPolarHBondContact CA-O 3.41Å; A353-G377 WeakPolarHBondContact CB-O 3.47Å; V354-G377 PolarHBondContact N-O 3.46Å; V354-G377 PolarHBondContact O-N 3.25Å
378Y95.9Very high88.3Confident27 Ų2760.6 Ų60.611%0.10630%0.303CS..  trans-134.2149.3-175.5-62.7-83.5000111.5F278 K279 L280 I348 A353 L396F278-Y378 HydrophobicContact CB-CE2 4.25Å; K279-Y378 WeakPolarHBondContact O-CE2 3.46Å; K279-Y378 PolarHBondContact O-OH 3.42Å; K279-Y378 VanDerWaalsContact O-OH 3.07Å; L280-Y378 HydrophobicContact CD2-CD2 4.25Å; L280-Y378 HydrophobicContact CD2-CE2 4.16Å; I348-Y378 HydrophobicContact CD1-CD1 3.79Å; I348-Y378 HydrophobicContact CD1-CE1 3.8Å; I348-Y378 HydrophobicContact CG1-CD1 4.26Å; I348-Y378 HydrophobicContact CG2-CD1 3.75Å; I348-Y378 HydrophobicContact CG2-CE1 4.46Å; A353-Y378 HydrophobicContact CB-CD1 4.02Å; A353-Y378 HydrophobicContact CB-CE1 3.56Å; Y378-L396 HydrophobicContact CD1-CD2 4.4Å; Y378-L396 HydrophobicContact CD2-CD2 3.97Å; Y378-L396 HydrophobicContact CG-CD2 3.74Å
379N96.1Very high88.6Confident14 Ų1465.7 Ų65.78%0.07532%0.321CS..PPolyproline II helixtrans-93.9130.3165.9-78.2-47.6000109.1E349 S358 I359 Q360E349-N379 HydrophobicContact CB-CB 3.73Å; E349-N379 WeakPolarHBondContact CB-O 3.09Å; E349-N379 HydrophobicContact CG-CB 4.4Å; E349-N379 PolarHBondContact N-O 2.84Å; S358-N379 PolarHBondContact O-ND2 3.25Å; I359-N379 WeakPolarHBondContact CA-OD1 3.4Å; Q360-N379 PolarHBondContact N-OD1 3.1Å
380L95.5Very high89.2Confident14 Ų1472.9 Ų72.97%0.07335%0.351CS..BIsolated β-bridgetrans-68.2131.3170.8178.367.3000109V384 C392 L396L380-V384 HydrophobicContact CD1-CG2 4.17Å; L380-C392 HydrophobicContact CD1-CB 3.58Å; L380-L396 HydrophobicContact CB-CD1 4.08Å; L380-L396 HydrophobicContact CD1-CD1 3.77Å
381K95.3Very high90.2Very high66 Ų6673.5 Ų73.529%0.28736%0.355SS..PPolyproline II helixtrans-63.2135.3178.4-169.5-176.6-174.1-177.50111.1S345 I346 C347 E349 D383 V384S345-K381 PolarHBondContact O-NZ 3.35Å; I346-K381 WeakPolarHBondContact O-CD 3.29Å; C347-K381 WeakPolarHBondContact O-CB 3.48Å; C347-K381 PolarHBondContact O-N 2.97Å; E349-K381 HydrophobicContact CB-CB 4.48Å; E349-K381 VanDerWaalsContact OE2-CA 3.3Å; E349-K381 WeakPolarHBondContact OE2-CA 3.3Å; K381-D383 WeakPolarHBondContact CD-OD1 3.35Å; K381-D383 WeakPolarHBondContact CE-OD1 3.11Å; K381-D383 VanDerWaalsContact CG-OD1 3.26Å; K381-D383 WeakPolarHBondContact CG-OD1 3.06Å; K381-D383 PolarHBondContact O-N 3.44Å; K381-V384 HydrophobicContact CB-CG2 3.76Å; K381-V384 WeakPolarHBondContact O-CG2 3.34Å
382K90Very high91.3Very high140 Ų14072.2 Ų72.261%0.60934%0.342SS*.THydrogen-bonded Turntrans-68.5-36.7-169.8-67.8-178.8-178.81780114.1E349E349-K382 PolarHBondContact OE2-N 2.91Å; E349-K382 VanDerWaalsContact OE2-N 3.13Å
383D90.1Very high92.2Very high121 Ų12171.7 Ų71.765%0.64734%0.336SS*.THydrogen-bonded Turntrans-99.124.1-173.265.1-30.9000113.6K381 N385K381-D383 WeakPolarHBondContact CD-OD1 3.35Å; K381-D383 WeakPolarHBondContact CE-OD1 3.11Å; K381-D383 VanDerWaalsContact CG-OD1 3.26Å; K381-D383 WeakPolarHBondContact CG-OD1 3.06Å; K381-D383 PolarHBondContact O-N 3.44Å; D383-N385 PolarHBondContact O-N 3.38Å
384V92.7Very high93Very high11 Ų1165 Ų657%0.06731%0.307CS..  trans-59.6126.2176.4179.40000110.4I346 L380 K381 K386 H388 R389 C392I346-V384 HydrophobicContact CG2-CG1 4.46Å; I346-V384 WeakPolarHBondContact O-CG2 3.49Å; L380-V384 HydrophobicContact CD1-CG2 4.17Å; K381-V384 HydrophobicContact CB-CG2 3.76Å; K381-V384 WeakPolarHBondContact O-CG2 3.34Å; V384-K386 PolarHBondContact O-N 2.94Å; V384-H388 HydrophobicContact CG1-CB 3.91Å; V384-R389 HydrophobicContact CG1-CB 4.21Å; V384-C392 HydrophobicContact CG1-CB 4.42Å
385N91Very high93.6Very high103 Ų10364.7 Ų64.755%0.55131%0.305SS*.  trans-51.8138174.1-175.4-38.6000110.7D383 T387 H388 R389D383-N385 PolarHBondContact O-N 3.38Å; N385-T387 PolarHBondContact O-N 3.3Å; N385-T387 PolarHBondContact OD1-N 3.06Å; N385-T387 PolarHBondContact OD1-OG1 2.89Å; N385-H388 PolarHBondContact O-N 3.3Å; N385-R389 PolarHBondContact O-N 3.16Å
386K89.6Confident93.9Very high193 Ų19364.5 Ų64.584%0.83930%0.304SS*.Hα-helixtrans-46.8-37.6179.4-69.5-175.3179179.40113.2V384 H388 R389V384-K386 PolarHBondContact O-N 2.94Å; K386-H388 VanDerWaalsContact C-N 3.32Å; K386-H388 PolarHBondContact O-N 3.09Å; K386-R389 PolarHBondContact O-N 3.25Å
387T90.1Very high94Very high116 Ų11663 Ų6371%0.71230%0.297SS*.Hα-helixtrans-61.2-37.4178.8-49.70000113N385N385-T387 PolarHBondContact O-N 3.3Å; N385-T387 PolarHBondContact OD1-N 3.06Å; N385-T387 PolarHBondContact OD1-OG1 2.89Å
388H93.3Very high94Very high64 Ų6463 Ų6330%0.29630%0.295SS..Hα-helixtrans-97.3-15.5-176.5-66.593.6000113.2I346 V384 N385 K386 K390 L391 C392I346-H388 HydrophobicContact CG2-CB 3.95Å; V384-H388 HydrophobicContact CG1-CB 3.91Å; N385-H388 PolarHBondContact O-N 3.3Å; K386-H388 VanDerWaalsContact C-N 3.32Å; K386-H388 PolarHBondContact O-N 3.09Å; H388-K390 VanDerWaalsContact C-N 3.33Å; H388-K390 PolarHBondContact O-N 2.85Å; H388-L391 PolarHBondContact O-N 3.29Å; H388-L391 VanDerWaalsContact O-N 3.11Å; H388-C392 WeakPolarHBondContact O-CB 3.45Å; H388-C392 PolarHBondContact O-N 3.46Å; H388-C392 PolarHBondContact O-SG 3.35Å; H388-C392 VanDerWaalsContact O-SG 3.39Å
389R94.3Very high93.9Very high125 Ų12562.4 Ų62.447%0.47229%0.294SS..Hα-helixtrans-55-44.9-171.3-168.9176.6-174.9104.50.7113.2V384 N385 K386 R393V384-R389 HydrophobicContact CG1-CB 4.21Å; N385-R389 PolarHBondContact O-N 3.16Å; K386-R389 PolarHBondContact O-N 3.25Å; R389-R393 WeakPolarHBondContact O-CB 3.5Å; R389-R393 PolarHBondContact O-N 2.67Å
390K94.4Very high93.8Very high159 Ų15962.9 Ų62.969%0.69130%0.296SS*.Hα-helixtrans-64.9-48.5178.3-172.7179.2178.3-1760111.1H388 R393 K394H388-K390 VanDerWaalsContact C-N 3.33Å; H388-K390 PolarHBondContact O-N 2.85Å; K390-R393 PolarHBondContact O-N 3.19Å; K390-K394 WeakPolarHBondContact O-CG 3.38Å; K390-K394 PolarHBondContact O-N 3.43Å
391L95.5Very high93.7Very high67 Ų6764.2 Ų64.235%0.35130%0.302SS..Hα-helixtrans-62.1-48.8180179.159.9000111.5M343 H388 R393 K394 M395M343-L391 HydrophobicContact CE-CD2 4Å; M343-L391 HydrophobicContact SD-CD2 4.38Å; H388-L391 PolarHBondContact O-N 3.29Å; H388-L391 VanDerWaalsContact O-N 3.11Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.29Å; L391-K394 PolarHBondContact O-N 2.86Å; L391-K394 VanDerWaalsContact O-N 3.15Å; L391-M395 HydrophobicContact CD1-CG 4.02Å; L391-M395 HydrophobicContact CD1-SD 4.05Å; L391-M395 HydrophobicContact CD2-SD 4.44Å; L391-M395 HydrophobicContact CG-CG 4.3Å; L391-M395 HydrophobicContact CG-SD 3.91Å; L391-M395 VanDerWaalsContact O-CG 3.31Å; L391-M395 WeakPolarHBondContact O-CG 3.3Å; L391-M395 PolarHBondContact O-N 3.1Å
392C96.7Very high93.7Very high0 Ų061.1 Ų61.10%029%0.288CS..Hα-helixtrans-55.9-46.1176.4-70.50000111.9C347 L380 V384 H388 K394 M395 L396C347-C392 WeakPolarHBondContact CA-SG 3.34Å; C347-C392 HydrophobicContact CB-CB 3.49Å; C347-C392 VanDerWaalsContact CB-CB 3.49Å; C347-C392 WeakPolarHBondContact CB-SG 3.38Å; C347-C392 WeakPolarHBondContact SG-CA 3.38Å; C347-C392 WeakPolarHBondContact SG-CB 3.25Å; C347-C392 CovalentContact SG-SG 2.03Å; C347-C392 PolarHBondContact SG-SG 2.81Å; L380-C392 HydrophobicContact CD1-CB 3.58Å; V384-C392 HydrophobicContact CG1-CB 4.42Å; H388-C392 WeakPolarHBondContact O-CB 3.45Å; H388-C392 PolarHBondContact O-N 3.46Å; H388-C392 PolarHBondContact O-SG 3.35Å; H388-C392 VanDerWaalsContact O-SG 3.39Å; C392-K394 PolarHBondContact O-N 2.95Å; C392-M395 PolarHBondContact O-N 2.99Å; C392-L396 VanDerWaalsContact O-CG 3.26Å; C392-L396 WeakPolarHBondContact O-CG 3.44Å; C392-L396 PolarHBondContact O-N 3.43Å; C392-L396 VanDerWaalsContact O-N 3.09Å
393R95.6Very high93.9Very high69 Ų6954.4 Ų54.426%0.2626%0.259SS..Hα-helixtrans-57.4-49.4176.6-167.4-178-177.977.70.8111E361 M364 R389 K390 L391 M395 L396 M397E361-R393 IonicContact OE1-NH1 3.24Å; E361-R393 IonicContact OE2-CZ 3.08Å; E361-R393 IonicContact OE2-NH1 2.65Å; E361-R393 PolarHBondContact OE2-NH1 3.43Å; E361-R393 IonicContact OE2-NH2 2.8Å; E361-R393 PolarHBondContact OE2-NH2 3.11Å; M364-R393 HydrophobicContact CE-CB 4.37Å; M364-R393 HydrophobicContact CE-CG 3.3Å; R389-R393 WeakPolarHBondContact O-CB 3.5Å; R389-R393 PolarHBondContact O-N 2.67Å; K390-R393 PolarHBondContact O-N 3.19Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.29Å; R393-M395 PolarHBondContact O-N 3.4Å; R393-L396 PolarHBondContact O-N 3.11Å; R393-M397 WeakPolarHBondContact O-CB 3.37Å; R393-M397 PolarHBondContact O-N 3.1Å
394K96.1Very high94.1Very high20 Ų2051.1 Ų51.19%0.08724%0.243CC..Hα-helixtrans-62.4-40.8178.9-66.1-59.6-155.61610112.6N95 R99 E102 K390 L391 C392 L396 M397 Y402 E405N95-K394 PolarHBondContact ND2-O 2.94Å; R99-K394 HydrophobicContact CG-CB 4.14Å; E102-K394 WeakPolarHBondContact OE1-CE 3.33Å; E102-K394 IonicContact OE1-NZ 2.74Å; E102-K394 PolarHBondContact OE1-NZ 3.34Å; E102-K394 WeakPolarHBondContact OE2-CE 3.48Å; E102-K394 IonicContact OE2-NZ 2.68Å; E102-K394 PolarHBondContact OE2-NZ 3.01Å; K390-K394 WeakPolarHBondContact O-CG 3.38Å; K390-K394 PolarHBondContact O-N 3.43Å; L391-K394 PolarHBondContact O-N 2.86Å; L391-K394 VanDerWaalsContact O-N 3.15Å; C392-K394 PolarHBondContact O-N 2.95Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.05Å; K394-M397 HydrophobicContact CD-CE 3.37Å; K394-M397 PolarHBondContact O-N 3.45Å; K394-Y402 HydrophobicContact CB-CE1 4.2Å; K394-Y402 HydrophobicContact CD-CE1 4.28Å; K394-Y402 HydrophobicContact CD-CE2 3.84Å; K394-E405 WeakPolarHBondContact CE-OE2 3.29Å; K394-E405 IonicContact NZ-OE2 3.63Å; K394-E405 PolarHBondContact NZ-OE2 3.19Å
395M96.7Very high94.2Very high1 Ų155 Ų551%0.00526%0.261CS..Hα-helixtrans-66.4-32.3179.7-71.6-176.371.200113.7L276 F278 M343 L391 C392 R393L276-M395 HydrophobicContact CB-CE 3.99Å; F278-M395 HydrophobicContact CD1-CE 4.32Å; F278-M395 HydrophobicContact CD2-CB 3.59Å; F278-M395 HydrophobicContact CD2-CE 4.1Å; F278-M395 HydrophobicContact CE1-CE 4.02Å; F278-M395 HydrophobicContact CE2-CB 3.56Å; F278-M395 HydrophobicContact CE2-CE 3.82Å; F278-M395 HydrophobicContact CE2-CG 4.44Å; F278-M395 HydrophobicContact CE2-SD 4.17Å; F278-M395 HydrophobicContact CG-CE 4.36Å; F278-M395 HydrophobicContact CZ-CE 3.8Å; F278-M395 HydrophobicContact CZ-SD 4.35Å; M343-M395 HydrophobicContact CG-CE 3.77Å; M343-M395 HydrophobicContact CG-SD 3.63Å; M343-M395 HydrophobicContact SD-SD 4.3Å; L391-M395 HydrophobicContact CD1-CG 4.02Å; L391-M395 HydrophobicContact CD1-SD 4.05Å; L391-M395 HydrophobicContact CD2-SD 4.44Å; L391-M395 HydrophobicContact CG-CG 4.3Å; L391-M395 HydrophobicContact CG-SD 3.91Å; L391-M395 VanDerWaalsContact O-CG 3.31Å; L391-M395 WeakPolarHBondContact O-CG 3.3Å; L391-M395 PolarHBondContact O-N 3.1Å; C392-M395 PolarHBondContact O-N 2.99Å; R393-M395 PolarHBondContact O-N 3.4Å
396L95.9Very high94.4Very high4 Ų451.8 Ų51.82%0.02124%0.244CC..Hα-helixtrans-89.1-19.1-179.4-60.7171.3000113.1F278 C347 I348 M364 Y378 L380 C392 R393 K394F278-L396 HydrophobicContact CD2-CD2 3.29Å; F278-L396 HydrophobicContact CD2-CG 4Å; F278-L396 HydrophobicContact CE2-CD2 3.61Å; F278-L396 HydrophobicContact CE2-CG 4.06Å; F278-L396 HydrophobicContact CG-CD2 4.19Å; C347-L396 HydrophobicContact CB-CD1 4.39Å; I348-L396 HydrophobicContact CD1-CD2 4.13Å; I348-L396 HydrophobicContact CG1-CD2 3.7Å; M364-L396 HydrophobicContact SD-CB 4.38Å; Y378-L396 HydrophobicContact CD1-CD2 4.4Å; Y378-L396 HydrophobicContact CD2-CD2 3.97Å; Y378-L396 HydrophobicContact CG-CD2 3.74Å; L380-L396 HydrophobicContact CB-CD1 4.08Å; L380-L396 HydrophobicContact CD1-CD1 3.77Å; C392-L396 VanDerWaalsContact O-CG 3.26Å; C392-L396 WeakPolarHBondContact O-CG 3.44Å; C392-L396 PolarHBondContact O-N 3.43Å; C392-L396 VanDerWaalsContact O-N 3.09Å; R393-L396 PolarHBondContact O-N 3.11Å; K394-L396 VanDerWaalsContact C-N 3.34Å; K394-L396 PolarHBondContact O-N 3.05Å
397M95.6Very high94.6Very high2 Ų244.5 Ų44.51%0.0122%0.223CC..  trans-66.2127.8-173-179.5168.634.200111.8N95 M364 R393 K394 Q401 Y402 E405N95-M397 PolarHBondContact ND2-O 3.24Å; M364-M397 HydrophobicContact SD-CB 4.36Å; R393-M397 WeakPolarHBondContact O-CB 3.37Å; R393-M397 PolarHBondContact O-N 3.1Å; K394-M397 HydrophobicContact CD-CE 3.37Å; K394-M397 PolarHBondContact O-N 3.45Å; M397-Q401 HydrophobicContact CG-CB 3.83Å; M397-Q401 HydrophobicContact SD-CB 4.07Å; M397-Y402 HydrophobicContact CE-CD1 3.62Å; M397-Y402 HydrophobicContact CE-CD2 3.5Å; M397-Y402 HydrophobicContact CE-CE1 4.03Å; M397-Y402 HydrophobicContact CE-CE2 3.95Å; M397-Y402 HydrophobicContact CE-CG 3.34Å; M397-Y402 HydrophobicContact CG-CG 4.47Å; M397-Y402 VanDerWaalsContact SD-CA 3.58Å; M397-Y402 HydrophobicContact SD-CG 4.17Å; M397-E405 HydrophobicContact CE-CG 4.42Å; M397-E405 WeakPolarHBondContact CE-OE2 3.35Å; M397-E405 HydrophobicContact SD-CG 3.96Å
398P94.7Very high94.7Very high7 Ų739.2 Ų39.25%0.04519%0.191CC..  trans-68.6156.6175.9-9.322.1000112.4M364 P366 I400 Q401 Y402M364-P398 WeakPolarHBondContact O-CG 3.48Å; P366-P398 HydrophobicContact CB-CB 4.29Å; P366-P398 HydrophobicContact CB-CG 4.31Å; P398-I400 PolarHBondContact O-N 2.85Å; P398-Q401 PolarHBondContact O-N 2.64Å; P398-Q401 PolarHBondContact O-OE1 3.26Å; P398-Y402 PolarHBondContact O-N 2.9Å
399E93.6Very high94.6Very high15 Ų1539.9 Ų39.97%0.0720%0.196CC..Hα-helixtrans-52-46.5-171.6172.2175163.600114.5K84 S91 L94 Q401 Y402 L403K84-E399 IonicContact NZ-OE1 3.18Å; K84-E399 PolarHBondContact NZ-OE1 2.87Å; K84-E399 IonicContact NZ-OE2 3.44Å; K84-E399 PolarHBondContact NZ-OE2 3.05Å; S91-E399 WeakPolarHBondContact CB-OE2 3.3Å; S91-E399 PolarHBondContact OG-OE2 3.37Å; L94-E399 HydrophobicContact CD1-CG 4.35Å; L94-E399 HydrophobicContact CD2-CB 4.27Å; L94-E399 HydrophobicContact CD2-CG 3.75Å; E399-Q401 VanDerWaalsContact C-N 3.34Å; E399-Q401 PolarHBondContact O-N 2.83Å; E399-Y402 PolarHBondContact O-N 3.06Å; E399-L403 HydrophobicContact CG-CD1 4Å; E399-L403 WeakPolarHBondContact O-CB 3.42Å; E399-L403 WeakPolarHBondContact O-CG 3.45Å; E399-L403 PolarHBondContact O-N 3.29Å
400I92.2Very high94.3Very high24 Ų2434 Ų3412%0.12317%0.174CC..Hα-helixtrans-65.3-39.7-175.5-60.7-56.1000111.3N115 W367 P398 T404 L410 T413N115-I400 HydrophobicContact CB-CD1 3.58Å; W367-I400 HydrophobicContact CB-CG1 4.4Å; P398-I400 PolarHBondContact O-N 2.85Å; I400-T404 PolarHBondContact O-N 3.39Å; I400-T404 VanDerWaalsContact O-N 3.16Å; I400-T404 PolarHBondContact O-OG1 3.3Å; I400-T404 VanDerWaalsContact O-OG1 3.06Å; I400-L410 HydrophobicContact CG2-CD1 3.8Å; I400-L410 WeakPolarHBondContact O-CD1 3.47Å; I400-T413 HydrophobicContact CD1-CG2 4.29Å
401Q93.7Very high93.9Very high41 Ų4133.1 Ų33.119%0.19217%0.166CC..Hα-helixtrans-70.3-42177.4-68.587.1-15.700110.6D363 Q365 M397 P398 E399 L403 T404 E405D363-Q401 WeakPolarHBondContact O-CG 3.33Å; Q365-Q401 PolarHBondContact O-NE2 3.35Å; M397-Q401 HydrophobicContact CG-CB 3.83Å; M397-Q401 HydrophobicContact SD-CB 4.07Å; P398-Q401 PolarHBondContact O-N 2.64Å; P398-Q401 PolarHBondContact O-OE1 3.26Å; E399-Q401 VanDerWaalsContact C-N 3.34Å; E399-Q401 PolarHBondContact O-N 2.83Å; Q401-L403 PolarHBondContact O-N 3.18Å; Q401-T404 WeakPolarHBondContact O-CB 3.44Å; Q401-T404 PolarHBondContact O-N 3.26Å; Q401-T404 VanDerWaalsContact O-N 3.11Å; Q401-E405 PolarHBondContact O-N 2.91Å
402Y95.8Very high93.3Very high1 Ų131.7 Ų31.70%0.00416%0.159CC..Hα-helixtrans-64.9-42.2177.4-150.2156.9000111.7F98 R99 E102 K394 M397 P398 E399 T404 E405 L406F98-Y402 HydrophobicContact CB-CD1 4.11Å; F98-Y402 HydrophobicContact CB-CD2 4.37Å; F98-Y402 HydrophobicContact CB-CE1 3.71Å; F98-Y402 HydrophobicContact CB-CE2 3.97Å; F98-Y402 HydrophobicContact CB-CG 4.42Å; F98-Y402 AromaticContact CD2-CD1 3.67Å; F98-Y402 HydrophobicContact CD2-CD1 3.67Å; F98-Y402 AromaticContact CD2-CD2 3.89Å; F98-Y402 HydrophobicContact CD2-CD2 3.89Å; F98-Y402 HydrophobicContact CD2-CE1 4.16Å; F98-Y402 HydrophobicContact CD2-CE2 4.35Å; F98-Y402 AromaticContact CD2-CG 3.51Å; F98-Y402 HydrophobicContact CD2-CG 3.51Å; F98-Y402 HydrophobicContact CE2-CG 4.22Å; F98-Y402 HydrophobicContact CG-CD1 4.42Å; F98-Y402 HydrophobicContact CG-CE1 4.49Å; F98-Y402 HydrophobicContact CG-CG 4.44Å; R99-Y402 HydrophobicContact CG-CE1 4.18Å; R99-Y402 VanDerWaalsContact CG-OH 3.22Å; R99-Y402 WeakPolarHBondContact CG-OH 3.5Å; E102-Y402 VanDerWaalsContact OE2-CE2 3.24Å; E102-Y402 WeakPolarHBondContact OE2-CE2 3.33Å; E102-Y402 VanDerWaalsContact OE2-CZ 3.29Å; E102-Y402 PolarHBondContact OE2-OH 3.03Å; K394-Y402 HydrophobicContact CB-CE1 4.2Å; K394-Y402 HydrophobicContact CD-CE1 4.28Å; K394-Y402 HydrophobicContact CD-CE2 3.84Å; M397-Y402 HydrophobicContact CE-CD1 3.62Å; M397-Y402 HydrophobicContact CE-CD2 3.5Å; M397-Y402 HydrophobicContact CE-CE1 4.03Å; M397-Y402 HydrophobicContact CE-CE2 3.95Å; M397-Y402 HydrophobicContact CE-CG 3.34Å; M397-Y402 HydrophobicContact CG-CG 4.47Å; M397-Y402 VanDerWaalsContact SD-CA 3.58Å; M397-Y402 HydrophobicContact SD-CG 4.17Å; P398-Y402 PolarHBondContact O-N 2.9Å; E399-Y402 PolarHBondContact O-N 3.06Å; Y402-T404 VanDerWaalsContact C-N 3.25Å; Y402-T404 PolarHBondContact O-N 2.88Å; Y402-E405 PolarHBondContact O-N 3.46Å; Y402-L406 HydrophobicContact CD2-CD1 3.93Å; Y402-L406 HydrophobicContact CD2-CD2 4.48Å; Y402-L406 HydrophobicContact CD2-CG 3.89Å; Y402-L406 HydrophobicContact CE2-CD1 4.05Å; Y402-L406 HydrophobicContact CE2-CD2 4.14Å; Y402-L406 HydrophobicContact CE2-CG 4.03Å; Y402-L406 WeakPolarHBondContact O-CG 3.32Å; Y402-L406 PolarHBondContact O-N 3.22Å
403L95.3Very high92.6Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-56.3-40.7171.9-78.4168.3000111.9F98 F110 N115 N142 E399 Q401 L406 G407 V408 L410F98-L403 HydrophobicContact CE1-CD2 4.45Å; F98-L403 HydrophobicContact CE2-CD2 4.08Å; F98-L403 HydrophobicContact CE2-CG 3.99Å; F98-L403 HydrophobicContact CZ-CD2 3.5Å; F98-L403 HydrophobicContact CZ-CG 3.88Å; F110-L403 HydrophobicContact CD1-CD2 3.98Å; F110-L403 HydrophobicContact CE1-CD2 3.88Å; N115-L403 HydrophobicContact CB-CD1 3.94Å; N142-L403 WeakPolarHBondContact ND2-CD2 3.41Å; E399-L403 HydrophobicContact CG-CD1 4Å; E399-L403 WeakPolarHBondContact O-CB 3.42Å; E399-L403 WeakPolarHBondContact O-CG 3.45Å; E399-L403 PolarHBondContact O-N 3.29Å; Q401-L403 PolarHBondContact O-N 3.18Å; L403-L406 CarbonylContact O-C 3.46Å; L403-L406 PolarHBondContact O-N 3.36Å; L403-G407 PolarHBondContact O-N 3.31Å; L403-V408 HydrophobicContact CB-CB 4.17Å; L403-V408 HydrophobicContact CB-CG2 4.22Å; L403-V408 HydrophobicContact CD2-CG2 3.82Å; L403-V408 VanDerWaalsContact O-CB 3.26Å; L403-V408 WeakPolarHBondContact O-CB 3.48Å; L403-V408 WeakPolarHBondContact O-CG2 3.3Å; L403-V408 PolarHBondContact O-N 3Å; L403-L410 HydrophobicContact CB-CD1 3.95Å
404T93.7Very high92Very high51 Ų5133.6 Ų33.631%0.31317%0.17SC..Hα-helixtrans-63.1-44.5174.8-590000111.1I400 Q401 Y402 L406 G407 L410I400-T404 PolarHBondContact O-N 3.39Å; I400-T404 VanDerWaalsContact O-N 3.16Å; I400-T404 PolarHBondContact O-OG1 3.3Å; I400-T404 VanDerWaalsContact O-OG1 3.06Å; Q401-T404 WeakPolarHBondContact O-CB 3.44Å; Q401-T404 PolarHBondContact O-N 3.26Å; Q401-T404 VanDerWaalsContact O-N 3.11Å; Y402-T404 VanDerWaalsContact C-N 3.25Å; Y402-T404 PolarHBondContact O-N 2.88Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 2.87Å; T404-G407 PolarHBondContact O-N 3.11Å; T404-L410 WeakPolarHBondContact OG1-CD1 2.83Å
405E94.5Very high91.4Very high92 Ų9235.8 Ų35.843%0.4318%0.182SC..Hα-helixtrans-62.1-32.2176.4-71.6-164.3177.600112.7K394 M397 Q401 Y402 G407K394-E405 WeakPolarHBondContact CE-OE2 3.29Å; K394-E405 IonicContact NZ-OE2 3.63Å; K394-E405 PolarHBondContact NZ-OE2 3.19Å; M397-E405 HydrophobicContact CE-CG 4.42Å; M397-E405 WeakPolarHBondContact CE-OE2 3.35Å; M397-E405 HydrophobicContact SD-CG 3.96Å; Q401-E405 PolarHBondContact O-N 2.91Å; Y402-E405 PolarHBondContact O-N 3.46Å; E405-G407 PolarHBondContact O-N 2.67Å
406L95Very high90.5Very high37 Ų3741.3 Ų41.319%0.19420%0.203CC..THydrogen-bonded Turntrans-829.3175-62.7175.4000113.4F98 E102 F110 Y402 L403 T404F98-L406 HydrophobicContact CB-CD1 3.98Å; F98-L406 HydrophobicContact CD1-CD1 3.79Å; F98-L406 HydrophobicContact CD2-CD1 3.71Å; F98-L406 HydrophobicContact CE1-CD1 4.14Å; F98-L406 HydrophobicContact CE2-CD1 4.04Å; F98-L406 HydrophobicContact CG-CD1 3.56Å; F98-L406 HydrophobicContact CZ-CD1 4.26Å; E102-L406 HydrophobicContact CG-CD2 3.64Å; F110-L406 HydrophobicContact CE2-CB 3.72Å; F110-L406 HydrophobicContact CE2-CD1 4.27Å; F110-L406 HydrophobicContact CZ-CB 4.02Å; F110-L406 HydrophobicContact CZ-CD1 3.73Å; F110-L406 HydrophobicContact CZ-CG 4.5Å; Y402-L406 HydrophobicContact CD2-CD1 3.93Å; Y402-L406 HydrophobicContact CD2-CD2 4.48Å; Y402-L406 HydrophobicContact CD2-CG 3.89Å; Y402-L406 HydrophobicContact CE2-CD1 4.05Å; Y402-L406 HydrophobicContact CE2-CD2 4.14Å; Y402-L406 HydrophobicContact CE2-CG 4.03Å; Y402-L406 WeakPolarHBondContact O-CG 3.32Å; Y402-L406 PolarHBondContact O-N 3.22Å; L403-L406 CarbonylContact O-C 3.46Å; L403-L406 PolarHBondContact O-N 3.36Å; T404-L406 VanDerWaalsContact C-N 3.25Å; T404-L406 PolarHBondContact O-N 2.87Å
407G93.1Very high89.5Confident39 Ų3941.9 Ų41.940%0.40221%0.21SC..THydrogen-bonded Turntrans8516.3171.800000115.1K129 L403 T404 E405K129-G407 PolarHBondContact NZ-O 2.86Å; L403-G407 PolarHBondContact O-N 3.31Å; T404-G407 PolarHBondContact O-N 3.11Å; E405-G407 PolarHBondContact O-N 2.67Å
408V93Very high88.6Confident6 Ų650.2 Ų50.24%0.03624%0.241CC..  trans-76.1127.6173.9-173.80000109.9F110 P111 L403 L410F110-V408 HydrophobicContact CB-CG2 3.6Å; F110-V408 HydrophobicContact CD1-CG2 4.02Å; F110-V408 HydrophobicContact CD2-CG2 3.5Å; F110-V408 VanDerWaalsContact CD2-CG2 3.5Å; F110-V408 HydrophobicContact CE2-CG2 4.12Å; F110-V408 HydrophobicContact CG-CG2 3.44Å; F110-V408 VanDerWaalsContact CG-CG2 3.44Å; P111-V408 HydrophobicContact CG-CG1 4.5Å; P111-V408 WeakPolarHBondContact O-CG1 3.28Å; L403-V408 HydrophobicContact CB-CB 4.17Å; L403-V408 HydrophobicContact CB-CG2 4.22Å; L403-V408 HydrophobicContact CD2-CG2 3.82Å; L403-V408 VanDerWaalsContact O-CB 3.26Å; L403-V408 WeakPolarHBondContact O-CB 3.48Å; L403-V408 WeakPolarHBondContact O-CG2 3.3Å; L403-V408 PolarHBondContact O-N 3Å; V408-L410 HydrophobicContact CB-CD2 4.33Å; V408-L410 HydrophobicContact CB-CG 4.41Å; V408-L410 HydrophobicContact CG1-CD2 3.57Å; V408-L410 HydrophobicContact CG1-CG 4.1Å; V408-L410 PolarHBondContact O-N 3.16Å
409N90.6Very high87.7Confident78 Ų7852 Ų5242%0.41725%0.252SS..  trans-78.3111.8172.5-176.5-7.6000109.1S113 W411S113-N409 CarbonylContact C-O 3.45Å; S113-N409 WeakPolarHBondContact CA-O 3.38Å; S113-N409 PolarHBondContact N-O 2.93Å; N409-W411 WeakPolarHBondContact OD1-CB 3.49Å; N409-W411 PolarHBondContact OD1-N 3.4Å; N409-W411 VanDerWaalsContact OD1-N 3.13Å
410L89.1Confident86.6Confident1 Ų154 Ų541%0.00526%0.259CS..  trans-109.231-177-61.3178.5000112.6S113 R114 N115 I400 L403 T404 V408 I412 T413 K414S113-L410 CarbonylContact O-C 3.55Å; R114-L410 VanDerWaalsContact C-CD2 3.41Å; R114-L410 WeakPolarHBondContact O-CD2 2.93Å; N115-L410 HydrophobicContact CB-CD2 4.01Å; I400-L410 HydrophobicContact CG2-CD1 3.8Å; I400-L410 WeakPolarHBondContact O-CD1 3.47Å; L403-L410 HydrophobicContact CB-CD1 3.95Å; T404-L410 WeakPolarHBondContact OG1-CD1 2.83Å; V408-L410 HydrophobicContact CB-CD2 4.33Å; V408-L410 HydrophobicContact CB-CG 4.41Å; V408-L410 HydrophobicContact CG1-CD2 3.57Å; V408-L410 HydrophobicContact CG1-CG 4.1Å; V408-L410 PolarHBondContact O-N 3.16Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 PolarHBondContact O-N 2.95Å; L410-T413 PolarHBondContact O-N 3.38Å; L410-K414 HydrophobicContact CB-CG 4.43Å; L410-K414 WeakPolarHBondContact O-CB 3.26Å; L410-K414 WeakPolarHBondContact O-CG 3.16Å; L410-K414 PolarHBondContact O-N 3.42Å
411W85.2Confident85.4Confident140 Ų14056.5 Ų56.553%0.5328%0.279SS..Hα-helixtrans-58.4-36.8-172.774.9-90.7000113.4S113 N409 L415S113-W411 PolarHBondContact O-N 3.04Å; N409-W411 WeakPolarHBondContact OD1-CB 3.49Å; N409-W411 PolarHBondContact OD1-N 3.4Å; N409-W411 VanDerWaalsContact OD1-N 3.13Å; W411-L415 HydrophobicContact CZ3-CD2 4.29Å; W411-L415 VanDerWaalsContact O-CB 3.26Å; W411-L415 WeakPolarHBondContact O-CB 3.37Å; W411-L415 PolarHBondContact O-N 2.93Å
412I82.5Confident84.1Confident37 Ų3760.9 Ų60.919%0.1930%0.302CS..Hα-helixtrans-67.8-50176.8-62.4180000109.7S113 R114 L410 K414 L415 W416S113-I412 WeakPolarHBondContact O-CB 3.18Å; S113-I412 PolarHBondContact O-N 3.08Å; S113-I412 WeakPolarHBondContact OG-CD1 3.3Å; R114-I412 HydrophobicContact CG-CB 4.06Å; R114-I412 HydrophobicContact CG-CD1 4.08Å; R114-I412 HydrophobicContact CG-CG2 4.13Å; L410-I412 VanDerWaalsContact C-N 3.28Å; L410-I412 PolarHBondContact O-N 2.95Å; I412-K414 VanDerWaalsContact C-N 3.3Å; I412-K414 PolarHBondContact O-N 3.49Å; I412-L415 PolarHBondContact O-N 3.25Å; I412-W416 VanDerWaalsContact O-CD1 3.28Å; I412-W416 PolarHBondContact O-N 2.95Å
413T82.3Confident82.4Confident10 Ų1065.4 Ų65.46%0.06133%0.326CS..Hα-helixtrans-58.7-41.7177.8-52.40000111.5N115 W367 I400 L410 W416 G417N115-T413 PolarHBondContact N-OG1 3.36Å; N115-T413 PolarHBondContact OD1-OG1 2.84Å; W367-T413 HydrophobicContact CH2-CG2 4.36Å; W367-T413 WeakPolarHBondContact CH2-O 3.34Å; W367-T413 HydrophobicContact CZ3-CG2 4.11Å; I400-T413 HydrophobicContact CD1-CG2 4.29Å; L410-T413 PolarHBondContact O-N 3.38Å; T413-W416 PolarHBondContact O-N 2.82Å; T413-G417 PolarHBondContact O-N 3.25Å
414K83.4Confident80.3Confident100 Ų10072.6 Ų72.644%0.43536%0.364SS..Hα-helixtrans-68-39.2177.1-72.9178179.91770112.3L410 I412 G417 R418L410-K414 HydrophobicContact CB-CG 4.43Å; L410-K414 WeakPolarHBondContact O-CB 3.26Å; L410-K414 WeakPolarHBondContact O-CG 3.16Å; L410-K414 PolarHBondContact O-N 3.42Å; I412-K414 VanDerWaalsContact C-N 3.3Å; I412-K414 PolarHBondContact O-N 3.49Å; K414-G417 PolarHBondContact O-N 3.45Å; K414-R418 PolarHBondContact O-N 2.86Å; K414-R418 VanDerWaalsContact O-N 3.08Å
415L84.1Confident78.1Confident65 Ų6580.4 Ų80.434%0.3439%0.388SS..Hα-helixtrans-61.1-48.217517962.8000110.6M26 W411 I412 G417 R418 V419M26-L415 HydrophobicContact CE-CD2 4.46Å; W411-L415 HydrophobicContact CZ3-CD2 4.29Å; W411-L415 VanDerWaalsContact O-CB 3.26Å; W411-L415 WeakPolarHBondContact O-CB 3.37Å; W411-L415 PolarHBondContact O-N 2.93Å; I412-L415 PolarHBondContact O-N 3.25Å; L415-G417 VanDerWaalsContact C-N 3.28Å; L415-G417 PolarHBondContact O-N 2.73Å; L415-R418 WeakPolarHBondContact O-CB 3.38Å; L415-R418 PolarHBondContact O-N 3.16Å; L415-R418 VanDerWaalsContact O-N 3.09Å; L415-V419 HydrophobicContact CD1-CG2 4.41Å; L415-V419 HydrophobicContact CG-CG2 4.48Å; L415-V419 WeakPolarHBondContact O-CG2 3.5Å; L415-V419 PolarHBondContact O-N 2.98Å
416W76.8Confident77.3Confident118 Ų11879.9 Ų79.945%0.44739%0.386SS..Hα-helixtrans-58.2-40.3174-84.1106.8000112.6W367 I412 T413 R418 V419 R420W367-W416 HydrophobicContact CH2-CB 4.44Å; I412-W416 VanDerWaalsContact O-CD1 3.28Å; I412-W416 PolarHBondContact O-N 2.95Å; T413-W416 PolarHBondContact O-N 2.82Å; W416-R418 VanDerWaalsContact C-N 3.29Å; W416-R418 PolarHBondContact O-N 2.67Å; W416-V419 PolarHBondContact O-N 3.21Å; W416-R420 WeakPolarHBondContact O-CB 3.32Å; W416-R420 PolarHBondContact O-N 3.29Å
417G75.2Confident76.4Confident16 Ų1682.1 Ų82.117%0.16540%0.396CS..Hα-helixtrans-57.9-41.2174.800000112.7T413 K414 L415 S421T413-G417 PolarHBondContact O-N 3.25Å; K414-G417 PolarHBondContact O-N 3.45Å; L415-G417 VanDerWaalsContact C-N 3.28Å; L415-G417 PolarHBondContact O-N 2.73Å; G417-S421 PolarHBondContact O-N 2.89Å
418R76.9Confident75.4Confident176 Ų17684.5 Ų84.566%0.66440%0.396SS*.Hα-helixtrans-72.3-44.1176.5-68.8-179.9-176.1-176.70.7112.8K414 L415 W416 R420 S421 I422K414-R418 PolarHBondContact O-N 2.86Å; K414-R418 VanDerWaalsContact O-N 3.08Å; L415-R418 WeakPolarHBondContact O-CB 3.38Å; L415-R418 PolarHBondContact O-N 3.16Å; L415-R418 VanDerWaalsContact O-N 3.09Å; W416-R418 VanDerWaalsContact C-N 3.29Å; W416-R418 PolarHBondContact O-N 2.67Å; R418-R420 VanDerWaalsContact C-N 3.27Å; R418-R420 PolarHBondContact O-N 3.2Å; R418-S421 PolarHBondContact O-N 2.85Å; R418-S421 VanDerWaalsContact O-N 3.15Å; R418-S421 PolarHBondContact O-OG 2.94Å; R418-I422 VanDerWaalsContact O-CG1 3.31Å; R418-I422 WeakPolarHBondContact O-CG1 3.26Å; R418-I422 PolarHBondContact O-N 3.42Å
419V75.8Confident74.4Confident45 Ų4589.1 Ų89.127%0.27342%0.417SS..Hα-helixtrans-57.7-45.4177.11710000109.7L415 W416 S421 I422 L423L415-V419 HydrophobicContact CD1-CG2 4.41Å; L415-V419 HydrophobicContact CG-CG2 4.48Å; L415-V419 WeakPolarHBondContact O-CG2 3.5Å; L415-V419 PolarHBondContact O-N 2.98Å; W416-V419 PolarHBondContact O-N 3.21Å; V419-S421 PolarHBondContact O-N 3.45Å; V419-I422 PolarHBondContact O-N 3.47Å; V419-L423 HydrophobicContact CG1-CD1 3.72Å; V419-L423 HydrophobicContact CG1-CG 4.43Å; V419-L423 WeakPolarHBondContact O-CG 3.47Å; V419-L423 PolarHBondContact O-N 3.12Å; V419-L423 VanDerWaalsContact O-N 3.07Å
420R71.2Confident73.4Confident56 Ų5689.8 Ų89.821%0.21142%0.417CS..Hα-helixtrans-59.2-44.4175.1-176.3-175.966-165.92.3112.8W367 Q368 I370 W416 R418 I422 L423W367-R420 VanDerWaalsContact CE2-NH1 3.28Å; Q368-R420 PolarHBondContact O-NH1 2.93Å; I370-R420 HydrophobicContact CG1-CG 4.43Å; W416-R420 WeakPolarHBondContact O-CB 3.32Å; W416-R420 PolarHBondContact O-N 3.29Å; R418-R420 VanDerWaalsContact C-N 3.27Å; R418-R420 PolarHBondContact O-N 3.2Å; R420-I422 VanDerWaalsContact C-N 3.28Å; R420-I422 PolarHBondContact O-N 3.07Å; R420-L423 PolarHBondContact O-N 2.84Å
421S67.2Low72.3Confident78 Ų7895.7 Ų95.755%0.54544%0.444SS..Hα-helixtrans-68.7-27.5-179.1700000113.1G417 R418 V419G417-S421 PolarHBondContact O-N 2.89Å; R418-S421 PolarHBondContact O-N 2.85Å; R418-S421 VanDerWaalsContact O-N 3.15Å; R418-S421 PolarHBondContact O-OG 2.94Å; V419-S421 PolarHBondContact O-N 3.45Å
422I65.4Low71.4Confident133 Ų13392.6 Ų92.668%0.68244%0.438SS*.Hα-helixtrans-76.8-37.7177.3-68.1165.1000111.1R418 V419 R420 N424R418-I422 VanDerWaalsContact O-CG1 3.31Å; R418-I422 WeakPolarHBondContact O-CG1 3.26Å; R418-I422 PolarHBondContact O-N 3.42Å; V419-I422 PolarHBondContact O-N 3.47Å; R420-I422 VanDerWaalsContact C-N 3.28Å; R420-I422 PolarHBondContact O-N 3.07Å; I422-N424 PolarHBondContact O-N 3.04Å
423L59.7Low70.6Confident95 Ų9596.8 Ų96.850%0.49746%0.457SS..Hα-helixtrans-74.4-9-175.4-70.8171.9000114V419 R420 W425V419-L423 HydrophobicContact CG1-CD1 3.72Å; V419-L423 HydrophobicContact CG1-CG 4.43Å; V419-L423 WeakPolarHBondContact O-CG 3.47Å; V419-L423 PolarHBondContact O-N 3.12Å; V419-L423 VanDerWaalsContact O-N 3.07Å; R420-L423 PolarHBondContact O-N 2.84Å; L423-W425 HydrophobicContact CB-CG 4.49Å; L423-W425 PolarHBondContact O-N 2.9Å
424N51.2Low69.6Low151 Ų151104.1 Ų104.181%0.80749%0.49SS*.THydrogen-bonded Turntrans42.835.8-177.6-85.3-14000112.9I422I422-N424 PolarHBondContact O-N 3.04Å
425W48.6Very low68.4Low216 Ų216104.5 Ų104.582%0.81850%0.496SS*.  trans-87.10176.2-94.111.9000111.7G371 L423G371-W425 VanDerWaalsContact CA-O 3.23Å; G371-W425 WeakPolarHBondContact CA-O 3.36Å; G371-W425 WeakPolarHBondContact CA-OXT 3.41Å; G371-W425 PolarHBondContact N-O 3.05Å; L423-W425 HydrophobicContact CB-CG 4.49Å; L423-W425 PolarHBondContact O-N 2.9Å

Retrieved 425 of 425 residues in 559.9 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).