A0A5K4F6K0_SCHMA Loading...

Protein-tyrosine sulfotransferase

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A5K4F6K0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 331 aa.

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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
1M55.5Low63.5Low213 Ų213140.2 Ų140.2100%1.04966%0.659SS**  0-44.80-67.3-170.4-60.500114.5K3 Y4 T5M1-K3 PolarHBondContact O-N 3.18Å; M1-Y4 PolarHBondContact O-N 3.49Å; M1-T5 PolarHBondContact O-OG1 3.43Å
2K61.3Low64.3Low187 Ų187139 Ų13981%0.81365%0.653SS**Hα-helixtrans-53.2-38-176-74.9-175.2176.1-1790116.6Y4 I6K2-Y4 PolarHBondContact O-N 3.46Å; K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 3.36Å
3K57.2Low65.2Low190 Ų190137.5 Ų137.583%0.82664%0.644SS**Hα-helixtrans-67.9-31.4-179.7-82.2-174.1175.8179.90114.2M1 R7M1-K3 PolarHBondContact O-N 3.18Å; K3-R7 PolarHBondContact O-N 3.4Å
4Y57.9Low66Low185 Ų185136.1 Ų136.173%0.72563%0.634SS**Hα-helixtrans-72.7-39.7179.7-115.2-94.1000111.3M1 K2 I6 R7 I8M1-Y4 PolarHBondContact O-N 3.49Å; K2-Y4 PolarHBondContact O-N 3.46Å; Y4-I6 PolarHBondContact O-N 3.3Å; Y4-R7 PolarHBondContact O-N 2.95Å; Y4-I8 PolarHBondContact O-N 3.19Å
5T63.6Low66.8Low87 Ų87134.6 Ų134.653%0.53463%0.631SS.*Hα-helixtrans-61.3-43.1177.6-38.10000111.6M1 R7 I8 C9M1-T5 PolarHBondContact O-OG1 3.43Å; T5-R7 VanDerWaalsContact C-N 3.34Å; T5-R7 PolarHBondContact O-N 3.47Å; T5-I8 PolarHBondContact O-N 3.39Å; T5-C9 PolarHBondContact O-N 3.46Å; T5-C9 PolarHBondContact O-SG 3.01Å
6I63.7Low67.7Low117 Ų117132.3 Ų132.360%0.662%0.623SS**Hα-helixtrans-62.9-39.3179.1-64.6168.7000111.7K2 Y4 C9 Y10K2-I6 WeakPolarHBondContact O-CG1 3.48Å; K2-I6 PolarHBondContact O-N 3.36Å; Y4-I6 PolarHBondContact O-N 3.3Å; I6-C9 PolarHBondContact O-N 3.49Å; I6-Y10 PolarHBondContact O-N 3.27Å
7R64.3Low68.4Low211 Ų211130.8 Ų130.880%0.79662%0.619SS**Hα-helixtrans-69.2-37.7-178.9-143.3178.5-171.9-176.31.7112.1K3 Y4 T5 Y10 G11K3-R7 PolarHBondContact O-N 3.4Å; Y4-R7 PolarHBondContact O-N 2.95Å; T5-R7 VanDerWaalsContact C-N 3.34Å; T5-R7 PolarHBondContact O-N 3.47Å; R7-Y10 PolarHBondContact O-N 2.91Å; R7-G11 PolarHBondContact O-N 3.34Å
8I67.5Low69Low98 Ų98130.4 Ų130.450%0.50362%0.617SS.*Hα-helixtrans-65.3-46.1173.4-66170000110.1Y4 T5 Y10 G11 Q12Y4-I8 PolarHBondContact O-N 3.19Å; T5-I8 PolarHBondContact O-N 3.39Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; I8-Y10 PolarHBondContact O-N 3.36Å; I8-G11 PolarHBondContact O-N 3.39Å; I8-Q12 HydrophobicContact CG2-CG 4.44Å; I8-Q12 WeakPolarHBondContact O-CB 3.33Å; I8-Q12 WeakPolarHBondContact O-CG 3.43Å; I8-Q12 PolarHBondContact O-N 2.88Å
9C68.7Low69.7Low70 Ų70128.1 Ų128.147%0.47361%0.612SS.*Hα-helixtrans-59.5-41.6176.3-68.70000112.2T5 I6 Q12 F13T5-C9 PolarHBondContact O-N 3.46Å; T5-C9 PolarHBondContact O-SG 3.01Å; I6-C9 PolarHBondContact O-N 3.49Å; C9-Q12 PolarHBondContact O-N 3.22Å; C9-F13 WeakPolarHBondContact O-CB 3.49Å; C9-F13 PolarHBondContact O-N 3.29Å
10Y69.1Low70.5Confident151 Ų151126.3 Ų126.359%0.59261%0.605SS**Hα-helixtrans-68.4-37.3178.7-157.7-99.1000112.8I6 R7 I8 F13 K14I6-Y10 PolarHBondContact O-N 3.27Å; R7-Y10 PolarHBondContact O-N 2.91Å; I8-Y10 VanDerWaalsContact C-N 3.33Å; I8-Y10 PolarHBondContact O-N 3.36Å; Y10-F13 PolarHBondContact O-N 3.05Å; Y10-K14 HydrophobicContact CE1-CD 4.37Å; Y10-K14 PolarHBondContact O-N 3.45Å
11G69.2Low71.1Confident33 Ų33121.9 Ų121.934%0.3459%0.592SS.*Hα-helixtrans-65-45.9173.400000112.4R7 I8 F13 K14 I15R7-G11 PolarHBondContact O-N 3.34Å; I8-G11 PolarHBondContact O-N 3.39Å; G11-F13 VanDerWaalsContact C-N 3.32Å; G11-F13 PolarHBondContact O-N 3.05Å; G11-K14 PolarHBondContact O-N 3.08Å; G11-I15 WeakPolarHBondContact O-CG1 3.32Å; G11-I15 PolarHBondContact O-N 2.91Å; G11-I15 VanDerWaalsContact O-N 3.08Å
12Q73Confident72.5Confident126 Ų126119.9 Ų119.959%0.58957%0.573SS**Hα-helixtrans-61.2-40.1174.2-74.3-178.1-23.600111.8I8 C9 I15 L16I8-Q12 HydrophobicContact CG2-CG 4.44Å; I8-Q12 WeakPolarHBondContact O-CB 3.33Å; I8-Q12 WeakPolarHBondContact O-CG 3.43Å; I8-Q12 PolarHBondContact O-N 2.88Å; C9-Q12 PolarHBondContact O-N 3.22Å; Q12-I15 PolarHBondContact O-N 3.38Å; Q12-L16 VanDerWaalsContact O-CB 3.32Å; Q12-L16 WeakPolarHBondContact O-CB 3.4Å; Q12-L16 PolarHBondContact O-N 3.46Å
13F76.3Confident73.8Confident120 Ų120117.5 Ų117.553%0.52656%0.563SS.*Hα-helixtrans-63.5-43.1176.8-172.4-99.2000112.5C9 Y10 G11 L16 L17C9-F13 WeakPolarHBondContact O-CB 3.49Å; C9-F13 PolarHBondContact O-N 3.29Å; Y10-F13 PolarHBondContact O-N 3.05Å; G11-F13 VanDerWaalsContact C-N 3.32Å; G11-F13 PolarHBondContact O-N 3.05Å; F13-L16 PolarHBondContact O-N 3.43Å; F13-L17 HydrophobicContact CE1-CD1 3.79Å; F13-L17 HydrophobicContact CZ-CD1 3.83Å; F13-L17 PolarHBondContact O-N 2.92Å
14K76.7Confident75.1Confident117 Ų117111.6 Ų111.651%0.50955%0.546SS..Hα-helixtrans-63.2-44.9175.4-85-171.5170.8-174.50112.7Y10 G11 L16 L17 H18Y10-K14 HydrophobicContact CE1-CD 4.37Å; Y10-K14 PolarHBondContact O-N 3.45Å; G11-K14 PolarHBondContact O-N 3.08Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3.22Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-H18 PolarHBondContact O-CD2 3.28Å; K14-H18 PolarHBondContact O-N 3.01Å
15I77.4Confident76.5Confident114 Ų114108.2 Ų108.259%0.58554%0.539SS*.Hα-helixtrans-60.8-45.4177-67.4167.5000109.6G11 Q12 L17 H18 V19G11-I15 WeakPolarHBondContact O-CG1 3.32Å; G11-I15 PolarHBondContact O-N 2.91Å; G11-I15 VanDerWaalsContact O-N 3.08Å; Q12-I15 PolarHBondContact O-N 3.38Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.47Å; I15-H18 PolarHBondContact O-N 3.25Å; I15-V19 HydrophobicContact CG2-CG2 4.24Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.27Å; I15-V19 PolarHBondContact O-N 3.43Å
16L81.3Confident77.8Confident98 Ų98109 Ų10951%0.51354%0.539SS..Hα-helixtrans-59.9-43.3177-173.166.3000111.7Q12 F13 K14 H18 V19 I20Q12-L16 VanDerWaalsContact O-CB 3.32Å; Q12-L16 WeakPolarHBondContact O-CB 3.4Å; Q12-L16 PolarHBondContact O-N 3.46Å; F13-L16 PolarHBondContact O-N 3.43Å; K14-L16 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3.22Å; L16-H18 PolarHBondContact O-N 2.92Å; L16-V19 PolarHBondContact O-N 2.87Å; L16-I20 HydrophobicContact CD1-CD1 4.29Å; L16-I20 HydrophobicContact CD2-CD1 4.49Å; L16-I20 HydrophobicContact CG-CD1 3.85Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.21Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.3Å
17L79.3Confident79Confident106 Ų106107.9 Ų107.956%0.55553%0.534SS*.Hα-helixtrans-62.4-41.7177.4-139.395.1000112.2F13 K14 I15 G21F13-L17 HydrophobicContact CE1-CD1 3.79Å; F13-L17 HydrophobicContact CZ-CD1 3.83Å; F13-L17 PolarHBondContact O-N 2.92Å; K14-L17 PolarHBondContact O-N 3.49Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.47Å; L17-G21 PolarHBondContact O-N 3.47Å
18H80.5Confident80.3Confident125 Ų125103.1 Ų103.158%0.57952%0.524SS*.Hα-helixtrans-65.1-45.4174.8-81.7-68.9000111.7K14 I15 L16 I20 G21 W22K14-H18 PolarHBondContact O-CD2 3.28Å; K14-H18 PolarHBondContact O-N 3.01Å; I15-H18 PolarHBondContact O-N 3.25Å; L16-H18 PolarHBondContact O-N 2.92Å; H18-I20 VanDerWaalsContact C-N 3.34Å; H18-I20 PolarHBondContact O-N 2.87Å; H18-G21 PolarHBondContact O-N 3.47Å; H18-W22 PolarHBondContact O-N 3.22Å
19V82Confident81.2Confident86 Ų86100.3 Ų100.352%0.52152%0.519SS..Hα-helixtrans-60.6-44.4177.8171.80000110.7I15 L16 W22 F23I15-V19 HydrophobicContact CG2-CG2 4.24Å; I15-V19 VanDerWaalsContact O-CG2 3.27Å; I15-V19 WeakPolarHBondContact O-CG2 3.27Å; I15-V19 PolarHBondContact O-N 3.43Å; L16-V19 PolarHBondContact O-N 2.87Å; V19-W22 PolarHBondContact O-N 3.09Å; V19-F23 VanDerWaalsContact O-CB 3.3Å; V19-F23 WeakPolarHBondContact O-CB 3.34Å; V19-F23 PolarHBondContact O-N 2.87Å
20I85Confident82.3Confident92 Ų92100.4 Ų100.447%0.47252%0.517SS..Hα-helixtrans-61.6-45.9175.2-67.8165.9000110.5L16 H18 W22 F23 S24L16-I20 HydrophobicContact CD1-CD1 4.29Å; L16-I20 HydrophobicContact CD2-CD1 4.49Å; L16-I20 HydrophobicContact CG-CD1 3.85Å; L16-I20 HydrophobicContact CG-CG1 4.48Å; L16-I20 WeakPolarHBondContact O-CB 3.21Å; L16-I20 WeakPolarHBondContact O-CG1 3.44Å; L16-I20 PolarHBondContact O-N 3.3Å; H18-I20 VanDerWaalsContact C-N 3.34Å; H18-I20 PolarHBondContact O-N 2.87Å; I20-W22 PolarHBondContact O-N 3.34Å; I20-F23 PolarHBondContact O-N 2.89Å; I20-S24 PolarHBondContact O-N 3.25Å; I20-S24 PolarHBondContact O-OG 2.92Å; I20-S24 VanDerWaalsContact O-OG 3.09Å
21G83.5Confident83.2Confident33 Ų3397.5 Ų97.534%0.3451%0.512SS..Hα-helixtrans-60.3-45.8178.500000113.3L17 H18 S24 I25L17-G21 PolarHBondContact O-N 3.47Å; H18-G21 PolarHBondContact O-N 3.47Å; G21-S24 PolarHBondContact O-N 2.91Å; G21-I25 WeakPolarHBondContact O-CG1 3.39Å; G21-I25 PolarHBondContact O-N 3.5Å
22W85.8Confident84.2Confident171 Ų171100.3 Ų100.365%0.64852%0.518SS*.Hα-helixtrans-63.4-41.9174.6-82.2103000111.9H18 V19 I20 S24 I25 I26H18-W22 PolarHBondContact O-N 3.22Å; V19-W22 PolarHBondContact O-N 3.09Å; I20-W22 PolarHBondContact O-N 3.34Å; W22-S24 VanDerWaalsContact C-N 3.33Å; W22-S24 PolarHBondContact O-N 3.41Å; W22-I25 PolarHBondContact O-N 2.97Å; W22-I26 WeakPolarHBondContact O-CG1 3.4Å; W22-I26 PolarHBondContact O-N 3.29Å
23F87.4Confident84.9Confident137 Ų137100.3 Ų100.360%0.60152%0.516SS*.Hα-helixtrans-61.4-42.3176.3-163.9-95.5000111.4V19 I20 I26 L27V19-F23 VanDerWaalsContact O-CB 3.3Å; V19-F23 WeakPolarHBondContact O-CB 3.34Å; V19-F23 PolarHBondContact O-N 2.87Å; I20-F23 PolarHBondContact O-N 2.89Å; F23-I26 PolarHBondContact O-N 3.46Å; F23-L27 HydrophobicContact CE1-CD1 4.21Å; F23-L27 WeakPolarHBondContact O-CB 3.4Å; F23-L27 PolarHBondContact O-N 3.06Å
24S85.9Confident85.5Confident67 Ų6798.6 Ų98.647%0.46951%0.513SS..Hα-helixtrans-62.7-41.7175.3-61.80000112.9I20 G21 W22 L27 L28I20-S24 PolarHBondContact O-N 3.25Å; I20-S24 PolarHBondContact O-OG 2.92Å; I20-S24 VanDerWaalsContact O-OG 3.09Å; G21-S24 PolarHBondContact O-N 2.91Å; W22-S24 VanDerWaalsContact C-N 3.33Å; W22-S24 PolarHBondContact O-N 3.41Å; S24-L27 PolarHBondContact O-N 2.9Å; S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 3.2Å
25I87.2Confident86.1Confident114 Ų114102.2 Ų102.259%0.58552%0.523SS*.Hα-helixtrans-64.9-44.6177.1-68167.5000110.9G21 W22 L28 G29G21-I25 WeakPolarHBondContact O-CG1 3.39Å; G21-I25 PolarHBondContact O-N 3.5Å; W22-I25 PolarHBondContact O-N 2.97Å; I25-L28 PolarHBondContact O-N 2.92Å; I25-G29 PolarHBondContact O-N 3.4Å
26I89.2Confident86.5Confident102 Ų102100.5 Ų100.552%0.52351%0.514SS..Hα-helixtrans-61.8-45.9177-68.1167.6000110.2W22 F23 L28 G29 V30W22-I26 WeakPolarHBondContact O-CG1 3.4Å; W22-I26 PolarHBondContact O-N 3.29Å; F23-I26 PolarHBondContact O-N 3.46Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 3.26Å; I26-G29 PolarHBondContact O-N 3.43Å; I26-V30 HydrophobicContact CG2-CG2 4.36Å; I26-V30 WeakPolarHBondContact O-CG2 3.3Å; I26-V30 PolarHBondContact O-N 3.34Å
27L90.2Very high86.6Confident95 Ų9598.7 Ų98.750%0.49751%0.505SS..Hα-helixtrans-60.8-41.2178.5-15791.7000111.6F23 S24 N31F23-L27 HydrophobicContact CE1-CD1 4.21Å; F23-L27 WeakPolarHBondContact O-CB 3.4Å; F23-L27 PolarHBondContact O-N 3.06Å; S24-L27 PolarHBondContact O-N 2.9Å; L27-N31 WeakPolarHBondContact O-CB 3.49Å; L27-N31 PolarHBondContact O-N 3.35Å; L27-N31 PolarHBondContact O-ND2 2.9Å
28L90.6Very high87Confident111 Ų11196.5 Ų96.558%0.58150%0.498SS*.Hα-helixtrans-64.3-44.6175.5-161.479.3000111.2S24 I25 I26 N31 I32S24-L28 WeakPolarHBondContact O-CB 3.32Å; S24-L28 PolarHBondContact O-N 3.2Å; I25-L28 PolarHBondContact O-N 2.92Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 3.26Å; L28-N31 PolarHBondContact O-N 3.32Å; L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.34Å; L28-I32 PolarHBondContact O-N 2.94Å
29G87.6Confident87.2Confident38 Ų3894.9 Ų94.939%0.39249%0.493SS..Hα-helixtrans-61-44.3176.600000112.8I25 I26 I32 F33I25-G29 PolarHBondContact O-N 3.4Å; I26-G29 PolarHBondContact O-N 3.43Å; G29-I32 PolarHBondContact O-N 3.23Å; G29-F33 WeakPolarHBondContact O-CB 3.34Å; G29-F33 PolarHBondContact O-N 3.45Å
30V90.1Very high86.8Confident73 Ų7397.3 Ų97.344%0.44250%0.497SS..Hα-helixtrans-62.8-42.2174.7172.20000111I26 F33 N34I26-V30 HydrophobicContact CG2-CG2 4.36Å; I26-V30 WeakPolarHBondContact O-CG2 3.3Å; I26-V30 PolarHBondContact O-N 3.34Å; V30-F33 PolarHBondContact O-N 2.85Å; V30-N34 WeakPolarHBondContact O-CB 3.31Å; V30-N34 PolarHBondContact O-N 2.96Å; V30-N34 PolarHBondContact O-ND2 2.87Å
31N89.6Confident86.6Confident89 Ų89100.5 Ų100.548%0.47650%0.504SS..Hα-helixtrans-63.2-41.3176.2-84.2-30.8000112.7L27 L28 R35L27-N31 WeakPolarHBondContact O-CB 3.49Å; L27-N31 PolarHBondContact O-N 3.35Å; L27-N31 PolarHBondContact O-ND2 2.9Å; L28-N31 PolarHBondContact O-N 3.32Å; N31-R35 WeakPolarHBondContact O-CB 3.27Å; N31-R35 PolarHBondContact O-N 2.9Å
32I89.5Confident86.6Confident92 Ų92104.1 Ų104.147%0.47251%0.512SS..Hα-helixtrans-64.5-46.7175.3-68.8164.9000110.2L28 G29 N34 R35 I36L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.34Å; L28-I32 PolarHBondContact O-N 2.94Å; G29-I32 PolarHBondContact O-N 3.23Å; I32-N34 PolarHBondContact O-N 3.47Å; I32-R35 WeakPolarHBondContact O-CB 3.43Å; I32-R35 PolarHBondContact O-N 3.34Å; I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 WeakPolarHBondContact O-CG1 3.42Å; I32-I36 PolarHBondContact O-N 2.93Å
33F88.2Confident86.2Confident126 Ų126102.1 Ų102.155%0.55351%0.508SS*.Hα-helixtrans-59.9-45.8177.7-178.5-102.7000112.1G29 V30 R35 I36 N37G29-F33 WeakPolarHBondContact O-CB 3.34Å; G29-F33 PolarHBondContact O-N 3.45Å; V30-F33 PolarHBondContact O-N 2.85Å; F33-R35 PolarHBondContact O-N 3.24Å; F33-I36 PolarHBondContact O-N 3.48Å; F33-N37 WeakPolarHBondContact CD1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.27Å; F33-N37 VanDerWaalsContact CZ-ND2 3.25Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.32Å; F33-N37 PolarHBondContact O-N 3.41Å
34N88.6Confident85.5Confident85 Ų85100.8 Ų100.846%0.45550%0.504SS..Hα-helixtrans-63.8-39.3176.4-72.5-14.6000111.9V30 I32 N37 S38V30-N34 WeakPolarHBondContact O-CB 3.31Å; V30-N34 PolarHBondContact O-N 2.96Å; V30-N34 PolarHBondContact O-ND2 2.87Å; I32-N34 PolarHBondContact O-N 3.47Å; N34-N37 PolarHBondContact O-N 2.84Å; N34-S38 VanDerWaalsContact O-CB 3.27Å; N34-S38 WeakPolarHBondContact O-CB 3.39Å; N34-S38 PolarHBondContact O-N 2.94Å
35R89.8Confident85.1Confident192 Ų19299.9 Ų99.973%0.72550%0.495SS*.Hα-helixtrans-61.4-45.9172.3-89.1-170.8173.4-143.20.2111.9N31 I32 F33 N37 S38 I39N31-R35 WeakPolarHBondContact O-CB 3.27Å; N31-R35 PolarHBondContact O-N 2.9Å; I32-R35 WeakPolarHBondContact O-CB 3.43Å; I32-R35 PolarHBondContact O-N 3.34Å; F33-R35 PolarHBondContact O-N 3.24Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 2.86Å; R35-S38 PolarHBondContact O-N 3.46Å; R35-I39 VanDerWaalsContact O-CG1 3.27Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.28Å
36I86.1Confident84.6Confident79 Ų7999.7 Ų99.741%0.40550%0.495SS..Hα-helixtrans-60.3-44.9177.6-68.9166.5000110.5I32 F33 I39 K40I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 WeakPolarHBondContact O-CG1 3.42Å; I32-I36 PolarHBondContact O-N 2.93Å; F33-I36 PolarHBondContact O-N 3.48Å; I36-I39 PolarHBondContact O-N 3.39Å; I36-K40 WeakPolarHBondContact O-CG 2.98Å; I36-K40 PolarHBondContact O-N 3.47Å
37N81.6Confident83.6Confident60 Ų6097.5 Ų97.532%0.32148%0.481SS..Hα-helixtrans-66.9-38177.9-70.9-20.1000112.4F33 N34 R35 K40 Y41F33-N37 WeakPolarHBondContact CD1-ND2 3.33Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.27Å; F33-N37 VanDerWaalsContact CZ-ND2 3.25Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.32Å; F33-N37 PolarHBondContact O-N 3.41Å; N34-N37 PolarHBondContact O-N 2.84Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 2.86Å; N37-K40 PolarHBondContact O-N 3.46Å; N37-Y41 WeakPolarHBondContact O-CB 3.25Å; N37-Y41 PolarHBondContact O-N 3.33Å
38S87.9Confident82.6Confident59 Ų5997.7 Ų97.741%0.41348%0.479SS..Hα-helixtrans-62.7-42.4173.7176.80000111.6N34 R35 Y41 Q42N34-S38 VanDerWaalsContact O-CB 3.27Å; N34-S38 WeakPolarHBondContact O-CB 3.39Å; N34-S38 PolarHBondContact O-N 2.94Å; R35-S38 PolarHBondContact O-N 3.46Å; S38-Y41 PolarHBondContact O-N 2.88Å; S38-Q42 WeakPolarHBondContact O-CB 3.24Å; S38-Q42 WeakPolarHBondContact O-CG 3.45Å; S38-Q42 PolarHBondContact O-N 2.96Å
39I84.8Confident81.5Confident91 Ų9196.8 Ų96.847%0.46747%0.474SS..Hα-helixtrans-62.1-45174.7-69.2163.4000110.6R35 I36 Y41 Q42 F43R35-I39 VanDerWaalsContact O-CG1 3.27Å; R35-I39 WeakPolarHBondContact O-CG1 3.36Å; R35-I39 PolarHBondContact O-N 3.28Å; I36-I39 PolarHBondContact O-N 3.39Å; I39-Y41 VanDerWaalsContact C-N 3.35Å; I39-Y41 PolarHBondContact O-N 3.34Å; I39-Q42 PolarHBondContact O-N 3.33Å; I39-F43 HydrophobicContact CG2-CD2 4.33Å; I39-F43 WeakPolarHBondContact O-CB 3.25Å; I39-F43 PolarHBondContact O-N 2.88Å
40K74Confident80.3Confident137 Ų137100.2 Ų100.260%0.59648%0.48SS*.Hα-helixtrans-58.8-45.6175.8-73.9179.4178.5-176.10111.8I36 N37 F43 Q44I36-K40 WeakPolarHBondContact O-CG 2.98Å; I36-K40 PolarHBondContact O-N 3.47Å; N37-K40 PolarHBondContact O-N 3.46Å; K40-F43 WeakPolarHBondContact O-CB 3.45Å; K40-F43 PolarHBondContact O-N 3.33Å; K40-Q44 PolarHBondContact O-N 2.91Å
41Y81.1Confident78.7Confident159 Ų159103.8 Ų103.862%0.62449%0.485SS*.Hα-helixtrans-64.9-44.3177.6-179.3-100.2000112.1N37 S38 I39 F43 Q44 V45N37-Y41 WeakPolarHBondContact O-CB 3.25Å; N37-Y41 PolarHBondContact O-N 3.33Å; S38-Y41 PolarHBondContact O-N 2.88Å; I39-Y41 VanDerWaalsContact C-N 3.35Å; I39-Y41 PolarHBondContact O-N 3.34Å; Y41-F43 VanDerWaalsContact C-N 3.31Å; Y41-F43 PolarHBondContact O-N 2.84Å; Y41-Q44 PolarHBondContact O-N 2.91Å; Y41-Q44 VanDerWaalsContact O-N 3.13Å; Y41-V45 HydrophobicContact CD1-CG2 4.14Å; Y41-V45 HydrophobicContact CE1-CG2 3.67Å; Y41-V45 HydrophobicContact CE2-CG2 4.24Å; Y41-V45 WeakPolarHBondContact O-CG2 3.41Å; Y41-V45 PolarHBondContact O-N 3.13Å
42Q84.5Confident77.1Confident110 Ų110105.4 Ų105.451%0.51449%0.494SS..Hα-helixtrans-60.4-40.5174.9-76.9178.4-23.500111.9S38 I39 Q44 V45 L46S38-Q42 WeakPolarHBondContact O-CB 3.24Å; S38-Q42 WeakPolarHBondContact O-CG 3.45Å; S38-Q42 PolarHBondContact O-N 2.96Å; I39-Q42 PolarHBondContact O-N 3.33Å; Q42-Q44 VanDerWaalsContact C-N 3.32Å; Q42-Q44 PolarHBondContact O-N 3.42Å; Q42-V45 PolarHBondContact O-N 3.48Å; Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 VanDerWaalsContact O-CG 3.25Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.83Å
43F77Confident75.4Confident129 Ų129107.4 Ų107.457%0.56651%0.506SS*.Hα-helixtrans-59.6-43.2173.2-116.5-83.9000111.9I39 K40 Y41 L46 Y47I39-F43 HydrophobicContact CG2-CD2 4.33Å; I39-F43 WeakPolarHBondContact O-CB 3.25Å; I39-F43 PolarHBondContact O-N 2.88Å; K40-F43 WeakPolarHBondContact O-CB 3.45Å; K40-F43 PolarHBondContact O-N 3.33Å; Y41-F43 VanDerWaalsContact C-N 3.31Å; Y41-F43 PolarHBondContact O-N 2.84Å; F43-L46 PolarHBondContact O-N 2.77Å; F43-Y47 VanDerWaalsContact O-CB 3.31Å; F43-Y47 WeakPolarHBondContact O-CB 3.27Å; F43-Y47 PolarHBondContact O-N 3.28Å
44Q73Confident73.4Confident109 Ų109104.4 Ų104.451%0.50950%0.498SS..Hα-helixtrans-66.6-41.9178.5-172.9163.6-16.700112.3K40 Y41 Q42 Y47 E48K40-Q44 PolarHBondContact O-N 2.91Å; Y41-Q44 PolarHBondContact O-N 2.91Å; Y41-Q44 VanDerWaalsContact O-N 3.13Å; Q42-Q44 VanDerWaalsContact C-N 3.32Å; Q42-Q44 PolarHBondContact O-N 3.42Å; Q44-Y47 WeakPolarHBondContact O-CB 3.31Å; Q44-Y47 PolarHBondContact O-N 3.36Å; Q44-E48 WeakPolarHBondContact O-CG 3.34Å; Q44-E48 PolarHBondContact O-N 3.29Å
45V77.1Confident71.5Confident47 Ų47110.6 Ų110.629%0.28552%0.52SS..Hα-helixtrans-64.9-44.4174.71730000111.3Y41 Q42 Y47 E48 L49Y41-V45 HydrophobicContact CD1-CG2 4.14Å; Y41-V45 HydrophobicContact CE1-CG2 3.67Å; Y41-V45 HydrophobicContact CE2-CG2 4.24Å; Y41-V45 WeakPolarHBondContact O-CG2 3.41Å; Y41-V45 PolarHBondContact O-N 3.13Å; Q42-V45 PolarHBondContact O-N 3.48Å; V45-Y47 VanDerWaalsContact C-N 3.26Å; V45-Y47 PolarHBondContact O-N 2.93Å; V45-E48 PolarHBondContact O-N 2.92Å; V45-L49 HydrophobicContact CG1-CD1 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.23Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.24Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.34Å
46L75.6Confident69.9Low111 Ų111109.1 Ų109.158%0.58152%0.522SS*.Hα-helixtrans-59.8-39.1175.3-75.4170.4000111.4Q42 F43 L49 Q50Q42-L46 WeakPolarHBondContact O-CB 3.42Å; Q42-L46 VanDerWaalsContact O-CG 3.25Å; Q42-L46 WeakPolarHBondContact O-CG 3.46Å; Q42-L46 PolarHBondContact O-N 2.83Å; F43-L46 PolarHBondContact O-N 2.77Å; L46-L49 PolarHBondContact O-N 3.28Å; L46-Q50 VanDerWaalsContact O-CB 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.44Å; L46-Q50 PolarHBondContact O-N 3.04Å
47Y69Low68.9Low56 Ų56108 Ų10822%0.2251%0.513CS..Hα-helixtrans-65.7-46.1175.5178.8-98.8000112.4F43 Q44 V45 L49 Q50 R51 Y57 Q137F43-Y47 VanDerWaalsContact O-CB 3.31Å; F43-Y47 WeakPolarHBondContact O-CB 3.27Å; F43-Y47 PolarHBondContact O-N 3.28Å; Q44-Y47 WeakPolarHBondContact O-CB 3.31Å; Q44-Y47 PolarHBondContact O-N 3.36Å; V45-Y47 VanDerWaalsContact C-N 3.26Å; V45-Y47 PolarHBondContact O-N 2.93Å; Y47-L49 VanDerWaalsContact C-N 3.34Å; Y47-L49 PolarHBondContact O-N 2.93Å; Y47-Q50 PolarHBondContact O-N 2.75Å; Y47-R51 WeakPolarHBondContact O-CB 3.31Å; Y47-R51 PolarHBondContact O-N 3.46Å; Y47-Y57 HydrophobicContact CE2-CE2 4.41Å; Y47-Y57 PolarHBondContact OH-OH 2.84Å; Y47-Q137 PolarHBondContact OH-NE2 3.48Å
48E68.6Low68.8Low99 Ų99107.4 Ų107.446%0.46351%0.51SS..Hα-helixtrans-62.9-40.3175-74177.3-168.400111.9Q44 V45 R51 N52Q44-E48 WeakPolarHBondContact O-CG 3.34Å; Q44-E48 PolarHBondContact O-N 3.29Å; V45-E48 PolarHBondContact O-N 2.92Å; E48-R51 PolarHBondContact O-N 3.38Å; E48-N52 WeakPolarHBondContact O-CB 3.36Å; E48-N52 PolarHBondContact O-N 3.31Å; E48-N52 PolarHBondContact O-ND2 3.48Å
49L67.4Low68.3Low91 Ų91105.7 Ų105.748%0.47650%0.497SS..Hα-helixtrans-65.7-40.8174.7-72172.5000111.7V45 L46 Y47 N52 N53V45-L49 HydrophobicContact CG1-CD1 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.23Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.24Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.34Å; L46-L49 PolarHBondContact O-N 3.28Å; Y47-L49 VanDerWaalsContact C-N 3.34Å; Y47-L49 PolarHBondContact O-N 2.93Å; L49-N52 PolarHBondContact O-N 3.4Å; L49-N53 VanDerWaalsContact O-CB 3.31Å; L49-N53 WeakPolarHBondContact O-CB 3.4Å; L49-N53 PolarHBondContact O-N 3.04Å
50Q62.6Low68.2Low111 Ų111101.9 Ų101.952%0.51948%0.479SS..Hα-helixtrans-65.6-39.9175.3-175.7173.3-23.300111.5L46 Y47 N52 N53 T54L46-Q50 VanDerWaalsContact O-CB 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.44Å; L46-Q50 PolarHBondContact O-N 3.04Å; Y47-Q50 PolarHBondContact O-N 2.75Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 3.49Å; Q50-N53 CarbonylContact O-C 3.59Å; Q50-T54 HydrophobicContact CG-CG2 4.18Å; Q50-T54 WeakPolarHBondContact O-CG2 3.21Å; Q50-T54 PolarHBondContact O-OG1 2.98Å
51R55.9Low68.9Low148 Ų14898.5 Ų98.556%0.55847%0.467SS*.Hα-helixtrans-61.7-38.4172.7-176.2179.9176.2157.62.7112Y47 E48Y47-R51 WeakPolarHBondContact O-CB 3.31Å; Y47-R51 PolarHBondContact O-N 3.46Å; E48-R51 PolarHBondContact O-N 3.38Å
52N57.3Low69.4Low123 Ų12392.9 Ų92.966%0.65845%0.448SS*.Hα-helixtrans-83.7-30.1-179-69.8-18000113.6E48 L49 Q50E48-N52 WeakPolarHBondContact O-CB 3.36Å; E48-N52 PolarHBondContact O-N 3.31Å; E48-N52 PolarHBondContact O-ND2 3.48Å; L49-N52 PolarHBondContact O-N 3.4Å; Q50-N52 VanDerWaalsContact C-N 3.31Å; Q50-N52 PolarHBondContact O-N 3.49Å
53N52.5Low70Confident133 Ų13390.3 Ų90.371%0.71144%0.44SS*.SBendtrans-113.267.6-179.5-84.6-19.4000111.8L49 Q50L49-N53 VanDerWaalsContact O-CB 3.31Å; L49-N53 WeakPolarHBondContact O-CB 3.4Å; L49-N53 PolarHBondContact O-N 3.04Å; Q50-N53 CarbonylContact O-C 3.59Å
54T47.7Very low71Confident63 Ų6384.2 Ų84.239%0.38741%0.414SS..  trans-153.3122166.1430000109.2Q50 Q56 Y57Q50-T54 HydrophobicContact CG-CG2 4.18Å; Q50-T54 WeakPolarHBondContact O-CG2 3.21Å; Q50-T54 PolarHBondContact O-OG1 2.98Å; T54-Q56 PolarHBondContact O-N 2.91Å; T54-Y57 PolarHBondContact OG1-N 2.91Å
55K47.2Very low72.2Confident215 Ų21579 Ų7994%0.93539%0.39SS*.THydrogen-bonded Turn8.476.497.9-83.1-172.8174.8-1780112.4Y57K55-Y57 PolarHBondContact O-N 3.18Å
56Q57.6Low73.2Confident162 Ų16276.8 Ų76.876%0.75738%0.376SS*.THydrogen-bonded Turntrans43.172.2165.2-161.2171.2-12.500113.8T54 D58T54-Q56 PolarHBondContact O-N 2.91Å; Q56-D58 PolarHBondContact O-N 2.93Å
57Y64.3Low74.3Confident56 Ų5671.5 Ų71.522%0.2235%0.348CS..  trans-54.3108.3155.4169.5-98.7000107.4Y47 T54 K55 P59 Q137Y47-Y57 HydrophobicContact CE2-CE2 4.41Å; Y47-Y57 PolarHBondContact OH-OH 2.84Å; T54-Y57 PolarHBondContact OG1-N 2.91Å; K55-Y57 PolarHBondContact O-N 3.18Å; Y57-P59 HydrophobicContact CD1-CG 4.17Å; Y57-P59 HydrophobicContact CE1-CB 4.33Å; Y57-P59 HydrophobicContact CE1-CG 3.72Å; Y57-P59 WeakPolarHBondContact O-CD 3.28Å; Y57-Q137 PolarHBondContact OH-NE2 2.89Å; Y57-Q137 PolarHBondContact OH-OE1 2.86Å
58D79.4Confident75.7Confident47 Ų4768.9 Ų68.925%0.25134%0.338SS..  trans-101.2108.5175.1-174.2-2.4000109Q56 S60 D61Q56-D58 PolarHBondContact O-N 2.93Å; D58-S60 PolarHBondContact O-N 2.58Å; D58-S60 VanDerWaalsContact O-N 3.14Å; D58-S60 WeakPolarHBondContact OD1-CB 3.14Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 PolarHBondContact OD1-OG 3.04Å; D58-S60 PolarHBondContact OD2-OG 2.89Å; D58-D61 HydrophobicContact CB-CB 4.15Å; D58-D61 VanDerWaalsContact O-CB 3.32Å; D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 3.04Å
59P77.9Confident77.1Confident22 Ų2264.2 Ų64.214%0.14332%0.316CS..G310 helixtrans-55.8-24.7175-20.529.5000113.8Y57 D61 F64 A133Y57-P59 HydrophobicContact CD1-CG 4.17Å; Y57-P59 HydrophobicContact CE1-CB 4.33Å; Y57-P59 HydrophobicContact CE1-CG 3.72Å; Y57-P59 WeakPolarHBondContact O-CD 3.28Å; P59-D61 PolarHBondContact O-N 3.3Å; P59-F64 WeakPolarHBondContact O-CE2 3.48Å; P59-A133 HydrophobicContact CB-CB 3.41Å; P59-A133 VanDerWaalsContact CB-CB 3.41Å
60S82.2Confident78.5Confident12 Ų1260.4 Ų60.48%0.08430%0.296CS..G310 helixtrans-63.7-22.5176.888.80000112.5D58 L62 L163 F164D58-S60 PolarHBondContact O-N 2.58Å; D58-S60 VanDerWaalsContact O-N 3.14Å; D58-S60 WeakPolarHBondContact OD1-CB 3.14Å; D58-S60 PolarHBondContact OD1-N 3.04Å; D58-S60 PolarHBondContact OD1-OG 3.04Å; D58-S60 PolarHBondContact OD2-OG 2.89Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 PolarHBondContact O-N 3.23Å; S60-L163 WeakPolarHBondContact CB-O 3.48Å; S60-F164 WeakPolarHBondContact O-CA 3.43Å; S60-F164 VanDerWaalsContact O-CD1 3.31Å; S60-F164 WeakPolarHBondContact O-CD1 3.42Å
61D89Confident80Confident66 Ų6658 Ų5835%0.35329%0.285SS..G310 helixtrans-9711.5-167.2-139.510.8000112.2D58 P59 K166D58-D61 HydrophobicContact CB-CB 4.15Å; D58-D61 VanDerWaalsContact O-CB 3.32Å; D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 3.04Å; P59-D61 PolarHBondContact O-N 3.3Å; D61-K166 WeakPolarHBondContact O-CD 3.5Å; D61-K166 VanDerWaalsContact OD1-CE 3.26Å; D61-K166 WeakPolarHBondContact OD1-CE 3.49Å; D61-K166 IonicContact OD1-NZ 3.08Å; D61-K166 PolarHBondContact OD1-NZ 3.18Å; D61-K166 IonicContact OD2-NZ 3.9Å; D61-K166 PolarHBondContact OD2-NZ 2.99Å
62L91.9Very high82Confident41 Ų4151.6 Ų51.622%0.21526%0.263CS..SBendtrans-81.6146.7177.4-69175.1000112S60 F64 Q137S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 PolarHBondContact O-N 3.23Å; L62-F64 HydrophobicContact CB-CD2 4.05Å; L62-F64 HydrophobicContact CB-CE1 4.36Å; L62-F64 HydrophobicContact CB-CE2 3.73Å; L62-F64 HydrophobicContact CB-CZ 3.9Å; L62-F64 HydrophobicContact CD1-CE1 4.25Å; L62-F64 HydrophobicContact CD1-CE2 4.16Å; L62-F64 HydrophobicContact CD1-CZ 3.64Å; L62-F64 HydrophobicContact CG-CZ 4.41Å; L62-F64 PolarHBondContact O-N 3.01Å; L62-Q137 HydrophobicContact CD1-CG 4.35Å
63P95.9Very high83.9Confident55 Ų5545.8 Ų45.836%0.35723%0.232SC..  trans-80.558.3-177.235.3-37.8000112.3R145 K166P63-R145 PolarHBondContact O-NE 2.8Å; P63-R145 PolarHBondContact O-NH2 3.31Å; P63-R145 VanDerWaalsContact O-NH2 3.09Å; P63-K166 WeakPolarHBondContact CA-O 3.38Å
64F98.2Very high86Confident2 Ų240.1 Ų40.11%0.00921%0.205CC..  trans-59.8152.5179.1-69.7-59.3000112.1P59 L62 F66 A133 I136 Q137 L146 F164 A167 K168P59-F64 WeakPolarHBondContact O-CE2 3.48Å; L62-F64 HydrophobicContact CB-CD2 4.05Å; L62-F64 HydrophobicContact CB-CE1 4.36Å; L62-F64 HydrophobicContact CB-CE2 3.73Å; L62-F64 HydrophobicContact CB-CZ 3.9Å; L62-F64 HydrophobicContact CD1-CE1 4.25Å; L62-F64 HydrophobicContact CD1-CE2 4.16Å; L62-F64 HydrophobicContact CD1-CZ 3.64Å; L62-F64 HydrophobicContact CG-CZ 4.41Å; L62-F64 PolarHBondContact O-N 3.01Å; F64-F66 HydrophobicContact CB-CD2 4.08Å; F64-F66 HydrophobicContact CB-CE2 3.56Å; F64-F66 HydrophobicContact CB-CZ 4.23Å; F64-F66 HydrophobicContact CD2-CE2 4.42Å; F64-F66 HydrophobicContact CG-CE2 4.31Å; F64-A133 HydrophobicContact CE2-CB 3.95Å; F64-A133 HydrophobicContact CZ-CB 3.99Å; F64-I136 HydrophobicContact CD1-CB 4.49Å; F64-I136 HydrophobicContact CD1-CD1 4.2Å; F64-I136 HydrophobicContact CD1-CG2 3.72Å; F64-I136 HydrophobicContact CE1-CB 3.93Å; F64-I136 HydrophobicContact CE1-CD1 4.23Å; F64-I136 HydrophobicContact CE1-CG2 3.38Å; F64-I136 HydrophobicContact CG-CD1 4.35Å; F64-I136 HydrophobicContact CZ-CB 4.31Å; F64-I136 HydrophobicContact CZ-CD1 4.39Å; F64-I136 HydrophobicContact CZ-CG2 4.25Å; F64-Q137 HydrophobicContact CZ-CG 4.34Å; F64-L146 CarbonylContact C-O 3.6Å; F64-L146 WeakPolarHBondContact CA-O 3.38Å; F64-L146 HydrophobicContact CD1-CB 3.71Å; F64-L146 HydrophobicContact CE1-CB 3.74Å; F64-L146 HydrophobicContact CE1-CD1 3.99Å; F64-L146 HydrophobicContact CE1-CG 4.46Å; F64-F164 AromaticContact CD2-CD1 3.56Å; F64-F164 HydrophobicContact CD2-CD1 3.56Å; F64-F164 AromaticContact CD2-CE1 3.78Å; F64-F164 HydrophobicContact CD2-CE1 3.78Å; F64-F164 HydrophobicContact CD2-CG 4.34Å; F64-F164 AromaticContact CE2-CD1 3.83Å; F64-F164 HydrophobicContact CE2-CD1 3.83Å; F64-F164 AromaticContact CE2-CE1 3.62Å; F64-F164 HydrophobicContact CE2-CE1 3.62Å; F64-A167 HydrophobicContact CB-CB 4.18Å; F64-A167 VanDerWaalsContact O-CA 3.26Å; F64-A167 WeakPolarHBondContact O-CA 3.28Å; F64-A167 WeakPolarHBondContact O-CB 3.39Å; F64-K168 PolarHBondContact O-N 3.17Å
65I98.7Very high88.4Confident0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-111.3113.2171.3-54.7166.6000107.6I67 L82 V88 R145 L146 C147 H148 K168 I170 L246 L248I65-I67 HydrophobicContact CG2-CG1 4.37Å; I65-L82 HydrophobicContact CG2-CD1 4.17Å; I65-V88 HydrophobicContact CD1-CG1 4.2Å; I65-V88 HydrophobicContact CD1-CG2 4.18Å; I65-R145 HydrophobicContact CD1-CB 4.2Å; I65-L146 PolarHBondContact N-O 3.03Å; I65-C147 HydrophobicContact CB-CB 3.96Å; I65-C147 CarbonylContact O-C 3.44Å; I65-C147 WeakPolarHBondContact O-CA 3.33Å; I65-H148 PolarHBondContact O-N 3.45Å; I65-K168 CarbonylContact C-O 3.26Å; I65-K168 WeakPolarHBondContact CA-O 3.4Å; I65-I170 HydrophobicContact CG2-CD1 3.99Å; I65-I170 HydrophobicContact CG2-CG1 4.47Å; I65-L246 HydrophobicContact CB-CD2 4.48Å; I65-L246 HydrophobicContact CD1-CD1 3.9Å; I65-L246 HydrophobicContact CD1-CD2 4.11Å; I65-L246 HydrophobicContact CG1-CD2 3.89Å; I65-L246 HydrophobicContact CG2-CD1 4.3Å; I65-L246 HydrophobicContact CG2-CD2 3.88Å; I65-L248 HydrophobicContact CD1-CD1 4.44Å
66F98.7Very high90.8Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-99.2133.1175.2-72.9-88.9000110.1F64 I136 H148 F154 L160 F164 A167 K168 F169 I170F64-F66 HydrophobicContact CB-CD2 4.08Å; F64-F66 HydrophobicContact CB-CE2 3.56Å; F64-F66 HydrophobicContact CB-CZ 4.23Å; F64-F66 HydrophobicContact CD2-CE2 4.42Å; F64-F66 HydrophobicContact CG-CE2 4.31Å; F66-I136 HydrophobicContact CE1-CD1 4Å; F66-I136 HydrophobicContact CZ-CD1 3.89Å; F66-H148 CarbonylContact C-O 3.56Å; F66-H148 WeakPolarHBondContact CA-O 3.17Å; F66-H148 HydrophobicContact CD1-CB 3.8Å; F66-H148 AromaticContact CD1-CG 3.76Å; F66-H148 AromaticContact CD1-ND1 3.37Å; F66-H148 WeakPolarHBondContact CD1-ND1 3.46Å; F66-H148 HydrophobicContact CE1-CB 3.89Å; F66-H148 AromaticContact CE1-CG 3.76Å; F66-H148 AromaticContact CE1-ND1 3.69Å; F66-F154 HydrophobicContact CB-CE2 3.96Å; F66-F154 HydrophobicContact CB-CZ 4.13Å; F66-L160 HydrophobicContact CD1-CD1 4.3Å; F66-L160 HydrophobicContact CD1-CD2 4.35Å; F66-L160 HydrophobicContact CE1-CD2 3.87Å; F66-L160 HydrophobicContact CZ-CD2 4.18Å; F66-F164 HydrophobicContact CE2-CB 4.21Å; F66-F164 AromaticContact CE2-CD2 3.91Å; F66-F164 HydrophobicContact CE2-CD2 3.91Å; F66-F164 HydrophobicContact CE2-CG 4.01Å; F66-F164 AromaticContact CZ-CD2 3.7Å; F66-F164 HydrophobicContact CZ-CD2 3.7Å; F66-F164 AromaticContact CZ-CE2 3.87Å; F66-F164 HydrophobicContact CZ-CE2 3.87Å; F66-F164 HydrophobicContact CZ-CG 4.15Å; F66-F164 HydrophobicContact CZ-CZ 4.45Å; F66-A167 HydrophobicContact CD2-CB 3.8Å; F66-A167 HydrophobicContact CE2-CB 3.77Å; F66-K168 PolarHBondContact N-O 3.32Å; F66-F169 HydrophobicContact CB-CD1 3.48Å; F66-F169 VanDerWaalsContact CB-CD1 3.48Å; F66-F169 HydrophobicContact CB-CE1 3.7Å; F66-F169 HydrophobicContact CB-CG 4.46Å; F66-F169 HydrophobicContact CD2-CD1 4.18Å; F66-F169 AromaticContact CD2-CE1 3.58Å; F66-F169 HydrophobicContact CD2-CE1 3.58Å; F66-F169 HydrophobicContact CD2-CZ 4.11Å; F66-F169 HydrophobicContact CE2-CE1 4.38Å; F66-F169 HydrophobicContact CG-CD1 4.09Å; F66-F169 AromaticContact CG-CE1 3.76Å; F66-F169 HydrophobicContact CG-CE1 3.76Å; F66-F169 CarbonylContact O-C 3.49Å; F66-F169 WeakPolarHBondContact O-CA 3Å; F66-I170 PolarHBondContact O-N 2.87Å
67I98.8Very high92.7Very high0 Ų020.9 Ų20.90%012%0.116CC..EExtended strand (participates in β ladder)trans-121.5127.8178.4-53.4167.6000108.7I65 T75 M78 R79 L82 C147 H148 K149 D150 F154 I170 M172I65-I67 HydrophobicContact CG2-CG1 4.37Å; I67-T75 HydrophobicContact CG2-CG2 4.41Å; I67-M78 HydrophobicContact CD1-CG 4.09Å; I67-M78 HydrophobicContact CG1-CG 4.43Å; I67-M78 HydrophobicContact CG2-CB 4.07Å; I67-M78 HydrophobicContact CG2-CG 4Å; I67-R79 HydrophobicContact CD1-CB 4.27Å; I67-L82 HydrophobicContact CD1-CD1 3.78Å; I67-L82 HydrophobicContact CG1-CD1 4.39Å; I67-C147 WeakPolarHBondContact CD1-SG 3.26Å; I67-H148 PolarHBondContact N-O 2.76Å; I67-K149 HydrophobicContact CB-CB 4.04Å; I67-K149 HydrophobicContact CB-CG 4.01Å; I67-K149 HydrophobicContact CD1-CB 4.45Å; I67-K149 HydrophobicContact CG2-CG 4.1Å; I67-K149 WeakPolarHBondContact O-CA 3.2Å; I67-D150 PolarHBondContact O-N 3.3Å; I67-F154 VanDerWaalsContact C-CZ 3.46Å; I67-I170 HydrophobicContact CG1-CB 4.39Å; I67-I170 HydrophobicContact CG1-CD1 4.39Å; I67-M172 HydrophobicContact CG2-CG 4.24Å
68G98.3Very high94.3Very high0 Ų018.3 Ų18.30%011%0.106CC..EExtended strand (participates in β ladder)trans-165.3-160.3177.500000112.5T75 F154 I170 M172G68-T75 WeakPolarHBondContact O-CG2 2.95Å; G68-F154 VanDerWaalsContact CA-CD2 3.48Å; G68-F154 VanDerWaalsContact N-CE2 3.26Å; G68-I170 PolarHBondContact N-O 3.06Å; G68-M172 WeakPolarHBondContact O-CB 3.01Å; G68-M172 PolarHBondContact O-N 3.43Å
69G97.5Very high95.2Very high1 Ų116.1 Ų16.11%0.019%0.094CC..  trans131.5177.4-166.400000110.5P151G69-P151 VanDerWaalsContact O-CB 3.27Å; G69-P151 WeakPolarHBondContact O-CB 3.24Å
70H97Very high96.2Very high12 Ų1215 Ų156%0.0569%0.087CC..SBendtrans-60.5155.3176.9-170.7-82.8000111.5T73 W204H70-T73 HydrophobicContact CB-CG2 3.89Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 WeakPolarHBondContact O-CG2 3.49Å; H70-T73 PolarHBondContact O-N 3.21Å; H70-T73 PolarHBondContact O-OG1 3.23Å; H70-W204 AromaticContact CD2-CD1 3.87Å; H70-W204 AromaticContact CE1-CD1 3.96Å; H70-W204 AromaticContact CG-CD1 3.56Å; H70-W204 AromaticContact ND1-CD1 3.63Å
71Q94.8Very high97Very high59 Ų5914.6 Ų14.628%0.2768%0.084SC..THydrogen-bonded Turntrans-53.2146172.6-63.6179.8-14.300111.7T73 I188Q71-T73 VanDerWaalsContact C-N 3.31Å; Q71-T73 PolarHBondContact O-N 2.9Å; Q71-I188 HydrophobicContact CB-CG2 4.43Å; Q71-I188 HydrophobicContact CG-CG2 4.46Å
72S95.9Very high97.4Very high14 Ų1411.7 Ų11.710%0.0987%0.068CC..THydrogen-bonded Turntrans64.621.2-179.3-61.90000116.3R174 A179 S182 T183 I188S72-R174 WeakPolarHBondContact O-CD 3.38Å; S72-R174 PolarHBondContact O-NH1 2.83Å; S72-A179 WeakPolarHBondContact CB-O 3.5Å; S72-S182 WeakPolarHBondContact CB-OG 3.49Å; S72-S182 PolarHBondContact OG-OG 3.16Å; S72-S182 VanDerWaalsContact OG-OG 3.08Å; S72-T183 WeakPolarHBondContact CB-OG1 3.28Å; S72-T183 PolarHBondContact OG-N 3.08Å; S72-T183 PolarHBondContact OG-OG1 3.28Å; S72-I188 WeakPolarHBondContact OG-CD1 3.26Å
73T97.5Very high97.7Very high1 Ų110 Ų101%0.0066%0.06CC..SBendtrans-92.81.7177.354.80000115.2H70 Q71 M172 R174 Y228H70-T73 HydrophobicContact CB-CG2 3.89Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 WeakPolarHBondContact O-CG2 3.49Å; H70-T73 PolarHBondContact O-N 3.21Å; H70-T73 PolarHBondContact O-OG1 3.23Å; Q71-T73 VanDerWaalsContact C-N 3.31Å; Q71-T73 PolarHBondContact O-N 2.9Å; T73-M172 WeakPolarHBondContact CB-O 3.41Å; T73-M172 PolarHBondContact OG1-O 2.94Å; T73-R174 HydrophobicContact CG2-CB 3.92Å; T73-Y228 WeakPolarHBondContact O-CB 3.42Å
74G97.3Very high97.8Very high14 Ų147.7 Ų7.714%0.1444%0.044CC..SBendtrans94.911.8179.300000115.6G76 L77 M78G74-G76 PolarHBondContact O-N 2.99Å; G74-L77 WeakPolarHBondContact O-CB 3.36Å; G74-L77 PolarHBondContact O-N 3.48Å; G74-M78 PolarHBondContact O-N 3.36Å
75T98Very high97.8Very high11 Ų117.8 Ų7.87%0.0675%0.045CC..Hα-helixtrans-50.8-38.2172.353.90000113.7I67 G68 M78 R79 P151 M172I67-T75 HydrophobicContact CG2-CG2 4.41Å; G68-T75 WeakPolarHBondContact O-CG2 2.95Å; T75-M78 PolarHBondContact O-N 3.09Å; T75-R79 VanDerWaalsContact O-CB 3.28Å; T75-R79 WeakPolarHBondContact O-CB 3.35Å; T75-R79 PolarHBondContact O-N 3Å; T75-P151 HydrophobicContact CG2-CB 4.23Å; T75-P151 HydrophobicContact CG2-CG 4.1Å; T75-P151 WeakPolarHBondContact OG1-CG 3.37Å; T75-M172 HydrophobicContact CG2-CB 3.87Å; T75-M172 HydrophobicContact CG2-CG 3.86Å
76G97.5Very high97.7Very high3 Ų311.8 Ų11.83%0.0317%0.071CC..Hα-helixtrans-64.3-37.5174.900000113.6G74 I80 I277G74-G76 PolarHBondContact O-N 2.99Å; G76-I80 PolarHBondContact O-N 3.01Å; G76-I80 VanDerWaalsContact O-N 3.09Å; G76-I277 VanDerWaalsContact C-CG2 3.48Å; G76-I277 VanDerWaalsContact O-CG2 3.28Å; G76-I277 WeakPolarHBondContact O-CG2 3.22Å
77L98.1Very high97.7Very high23 Ų2314.8 Ų14.812%0.129%0.087CC..Hα-helixtrans-68.4-48.3175.7177.160.2000110.3G74 R79 I80 L81 Y228 L231 I232 I281G74-L77 WeakPolarHBondContact O-CB 3.36Å; G74-L77 PolarHBondContact O-N 3.48Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.2Å; L77-I80 HydrophobicContact CD1-CG2 4.25Å; L77-I80 VanDerWaalsContact O-CG2 3.25Å; L77-I80 WeakPolarHBondContact O-CG2 3.37Å; L77-I80 PolarHBondContact O-N 3.19Å; L77-L81 HydrophobicContact CD1-CD1 4.15Å; L77-L81 HydrophobicContact CD1-CG 4.11Å; L77-L81 HydrophobicContact CG-CD1 3.98Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.26Å; L77-Y228 HydrophobicContact CD2-CE2 4.33Å; L77-L231 HydrophobicContact CD2-CD2 3.98Å; L77-L231 HydrophobicContact CD2-CG 4.46Å; L77-L231 HydrophobicContact CG-CD2 4.33Å; L77-I232 HydrophobicContact CD2-CD1 3.64Å; L77-I281 HydrophobicContact CD1-CG1 4.38Å
78M98.7Very high97.6Very high2 Ų215.2 Ų15.21%0.019%0.089CC..Hα-helixtrans-59.3-43177.3-175.854.569.600112.1I67 G74 T75 I80 L81 L82 I170 M172 V226 L231 V242I67-M78 HydrophobicContact CD1-CG 4.09Å; I67-M78 HydrophobicContact CG1-CG 4.43Å; I67-M78 HydrophobicContact CG2-CB 4.07Å; I67-M78 HydrophobicContact CG2-CG 4Å; G74-M78 PolarHBondContact O-N 3.36Å; T75-M78 PolarHBondContact O-N 3.09Å; M78-I80 PolarHBondContact O-N 2.83Å; M78-L81 PolarHBondContact O-N 2.68Å; M78-L82 HydrophobicContact CG-CD1 4.29Å; M78-L82 PolarHBondContact O-N 3.05Å; M78-L82 HydrophobicContact SD-CD1 4.13Å; M78-L82 HydrophobicContact SD-CG 4.22Å; M78-I170 HydrophobicContact CE-CG2 4.46Å; M78-I170 HydrophobicContact CG-CD1 4.34Å; M78-I170 HydrophobicContact CG-CG2 4.04Å; M78-I170 HydrophobicContact SD-CD1 4.37Å; M78-M172 HydrophobicContact CB-CE 4.36Å; M78-M172 HydrophobicContact CB-CG 4.27Å; M78-M172 HydrophobicContact CB-SD 3.7Å; M78-M172 HydrophobicContact CE-CE 4.29Å; M78-M172 HydrophobicContact CE-SD 3.82Å; M78-M172 HydrophobicContact CG-SD 3.89Å; M78-V226 HydrophobicContact CE-CG1 4.07Å; M78-V226 HydrophobicContact CE-CG2 4.46Å; M78-L231 HydrophobicContact CE-CD2 3.95Å; M78-V242 HydrophobicContact CE-CG1 4.49Å; M78-V242 HydrophobicContact CE-CG2 3.81Å; M78-V242 HydrophobicContact SD-CG1 4.03Å; M78-V242 HydrophobicContact SD-CG2 4.42Å
79R98.2Very high97.6Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-53.2-54.4172.9175.6-157.4157.4-147.2-15.3110.9I67 T75 L77 L82 D83 C90 G91 K149 S265 K266 E271I67-R79 HydrophobicContact CD1-CB 4.27Å; T75-R79 VanDerWaalsContact O-CB 3.28Å; T75-R79 WeakPolarHBondContact O-CB 3.35Å; T75-R79 PolarHBondContact O-N 3Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.2Å; R79-L82 PolarHBondContact O-N 3.11Å; R79-D83 IonicContact NH2-OD2 3.44Å; R79-D83 WeakPolarHBondContact O-CB 3.38Å; R79-D83 PolarHBondContact O-N 3.12Å; R79-C90 HydrophobicContact CG-CB 3.81Å; R79-G91 VanDerWaalsContact CZ-O 3.23Å; R79-G91 PolarHBondContact NE-O 3.28Å; R79-G91 VanDerWaalsContact NH2-C 3.26Å; R79-G91 PolarHBondContact NH2-O 3.14Å; R79-K149 HydrophobicContact CB-CB 3.97Å; R79-K149 HydrophobicContact CB-CG 3.97Å; R79-K149 VanDerWaalsContact CD-CE 3.46Å; R79-K149 HydrophobicContact CG-CB 3.97Å; R79-K149 HydrophobicContact CG-CG 4.42Å; R79-S265 PolarHBondContact NH2-OG 2.7Å; R79-K266 PolarHBondContact NH2-O 2.91Å; R79-E271 IonicContact CZ-OE1 3.03Å; R79-E271 IonicContact CZ-OE2 2.73Å; R79-E271 VanDerWaalsContact NH1-CD 3.27Å; R79-E271 IonicContact NH1-OE1 2.63Å; R79-E271 PolarHBondContact NH1-OE1 3.03Å; R79-E271 IonicContact NH1-OE2 3.89Å; R79-E271 PolarHBondContact NH1-OE2 3.29Å
80I97.9Very high97.6Very high0 Ų015.8 Ų15.80%09%0.091CC..Hα-helixtrans-69.2-37.3-173.5-167.261000111.7G76 L77 M78 L82 D83 I84 V261 S265 I277G76-I80 PolarHBondContact O-N 3.01Å; G76-I80 VanDerWaalsContact O-N 3.09Å; L77-I80 HydrophobicContact CD1-CG2 4.25Å; L77-I80 VanDerWaalsContact O-CG2 3.25Å; L77-I80 WeakPolarHBondContact O-CG2 3.37Å; L77-I80 PolarHBondContact O-N 3.19Å; M78-I80 PolarHBondContact O-N 2.83Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.04Å; I80-D83 HydrophobicContact CD1-CB 4.36Å; I80-D83 PolarHBondContact O-N 2.66Å; I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.89Å; I80-V261 HydrophobicContact CD1-CB 4.21Å; I80-V261 HydrophobicContact CD1-CG2 3.55Å; I80-V261 HydrophobicContact CG1-CB 4.3Å; I80-V261 HydrophobicContact CG1-CG2 3.88Å; I80-S265 WeakPolarHBondContact CD1-OG 3.46Å; I80-I277 HydrophobicContact CB-CB 4.2Å; I80-I277 HydrophobicContact CG2-CB 3.95Å; I80-I277 HydrophobicContact CG2-CG2 4.29Å
81L98.4Very high97.4Very high3 Ų315.4 Ų15.42%0.0169%0.091CC..Hα-helixtrans-54.9-52.9173.9-69171.1000109.5L77 M78 D83 I84 L231 I239 L254 H257 I281L77-L81 HydrophobicContact CD1-CD1 4.15Å; L77-L81 HydrophobicContact CD1-CG 4.11Å; L77-L81 HydrophobicContact CG-CD1 3.98Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.43Å; L77-L81 PolarHBondContact O-N 3.26Å; M78-L81 PolarHBondContact O-N 2.68Å; L81-D83 PolarHBondContact O-N 3.09Å; L81-I84 PolarHBondContact O-N 2.91Å; L81-L231 HydrophobicContact CD1-CD1 4.19Å; L81-L231 HydrophobicContact CD1-CD2 4.29Å; L81-I239 HydrophobicContact CD1-CD1 3.96Å; L81-I239 HydrophobicContact CD1-CG1 4.12Å; L81-I239 HydrophobicContact CD2-CD1 4.01Å; L81-L254 WeakPolarHBondContact CD2-O 3.3Å; L81-L254 WeakPolarHBondContact O-CD2 3.33Å; L81-H257 HydrophobicContact CD2-CB 4.14Å; L81-I281 HydrophobicContact CD2-CD1 4.42Å
82L98.5Very high97.4Very high4 Ų413.2 Ų13.22%0.0218%0.081CC..Hα-helixtrans-65.9-36.2178.9-68.2177000113.3I65 I67 M78 R79 I80 I84 H85 V88 I170 V242 L243 L246I65-L82 HydrophobicContact CG2-CD1 4.17Å; I67-L82 HydrophobicContact CD1-CD1 3.78Å; I67-L82 HydrophobicContact CG1-CD1 4.39Å; M78-L82 HydrophobicContact CG-CD1 4.29Å; M78-L82 PolarHBondContact O-N 3.05Å; M78-L82 HydrophobicContact SD-CD1 4.13Å; M78-L82 HydrophobicContact SD-CG 4.22Å; R79-L82 PolarHBondContact O-N 3.11Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.04Å; L82-I84 PolarHBondContact O-N 2.71Å; L82-H85 VanDerWaalsContact O-CB 3.24Å; L82-H85 WeakPolarHBondContact O-CB 3.42Å; L82-H85 PolarHBondContact O-N 2.98Å; L82-V88 HydrophobicContact CB-CG1 4.14Å; L82-V88 VanDerWaalsContact O-CB 3.28Å; L82-V88 WeakPolarHBondContact O-CB 3.25Å; L82-V88 WeakPolarHBondContact O-CG1 3.46Å; L82-I170 HydrophobicContact CD1-CD1 3.61Å; L82-V242 HydrophobicContact CD2-CG1 4.33Å; L82-L243 HydrophobicContact CD2-CD2 4.09Å; L82-L246 HydrophobicContact CD1-CD1 3.95Å; L82-L246 HydrophobicContact CD2-CD1 3.67Å
83D97.5Very high97.4Very high7 Ų714.6 Ų14.64%0.0379%0.086CC..Hα-helixtrans-68.3-19.4177.6-144.525.8000113.4R79 I80 L81 R89 C90 G91 S265R79-D83 IonicContact NH2-OD2 3.44Å; R79-D83 WeakPolarHBondContact O-CB 3.38Å; R79-D83 PolarHBondContact O-N 3.12Å; I80-D83 HydrophobicContact CD1-CB 4.36Å; I80-D83 PolarHBondContact O-N 2.66Å; L81-D83 PolarHBondContact O-N 3.09Å; D83-R89 WeakPolarHBondContact OD1-CA 3.26Å; D83-C90 HydrophobicContact CB-CB 4.12Å; D83-C90 PolarHBondContact OD1-N 3.36Å; D83-G91 PolarHBondContact OD1-N 2.79Å; D83-G91 VanDerWaalsContact OD1-N 3.12Å; D83-G91 PolarHBondContact OD2-N 3.19Å; D83-S265 VanDerWaalsContact OD2-CB 3.26Å; D83-S265 WeakPolarHBondContact OD2-CB 3.34Å; D83-S265 PolarHBondContact OD2-OG 2.98Å
84I97.8Very high97.2Very high6 Ų615.9 Ų15.93%0.0319%0.094CC..Hα-helixtrans-78.8-23.2170.9-67.3-48.2000112I80 L81 L82 K253 L254 H257 F260 T264I80-I84 WeakPolarHBondContact O-CG1 3.45Å; I80-I84 PolarHBondContact O-N 2.89Å; L81-I84 PolarHBondContact O-N 2.91Å; L82-I84 PolarHBondContact O-N 2.71Å; I84-K253 HydrophobicContact CG2-CB 3.85Å; I84-L254 HydrophobicContact CB-CD2 4.21Å; I84-L254 HydrophobicContact CG2-CD2 4.26Å; I84-H257 HydrophobicContact CG1-CB 3.89Å; I84-F260 HydrophobicContact CD1-CB 3.75Å; I84-F260 HydrophobicContact CG1-CB 4.43Å; I84-F260 HydrophobicContact CG2-CB 4.2Å; I84-F260 HydrophobicContact CG2-CD2 4.49Å; I84-T264 HydrophobicContact CD1-CG2 4.04Å
85H98.3Very high96.9Very high3 Ų319.3 Ų19.31%0.01411%0.113CC..SBendtrans-66.1131.2-178.8-172.5-86.6000110.9L82 L87 V88 P249 L254L82-H85 VanDerWaalsContact O-CB 3.24Å; L82-H85 WeakPolarHBondContact O-CB 3.42Å; L82-H85 PolarHBondContact O-N 2.98Å; H85-L87 PolarHBondContact ND1-N 2.53Å; H85-L87 PolarHBondContact O-N 3Å; H85-V88 HydrophobicContact CB-CB 4.25Å; H85-V88 HydrophobicContact CB-CG2 4.24Å; H85-V88 PolarHBondContact O-N 3.39Å; H85-P249 PolarHBondContact NE2-O 2.86Å; H85-L254 HydrophobicContact CB-CD2 4.01Å
86P97Very high96.8Very high84 Ų8421 Ų2155%0.54512%0.123SC..THydrogen-bonded Turntrans-64-16.1-170.223.8-35.8000115.4D251P86-D251 WeakPolarHBondContact CD-OD2 3.18Å; P86-D251 WeakPolarHBondContact CG-OD2 3.19Å
87L98Very high96.9Very high64 Ų6421 Ų2134%0.33512%0.122SC..THydrogen-bonded Turntrans-101.8-4.2178.5-54.2-177.9000113.9H85 P144 R145 L248 P249H85-L87 PolarHBondContact ND1-N 2.53Å; H85-L87 PolarHBondContact O-N 3Å; L87-P144 HydrophobicContact CB-CB 4.46Å; L87-P144 HydrophobicContact CB-CG 4.44Å; L87-P144 HydrophobicContact CD2-CG 4.12Å; L87-P144 WeakPolarHBondContact O-CD 3.41Å; L87-R145 PolarHBondContact O-N 3.3Å; L87-L248 HydrophobicContact CB-CD2 4.18Å; L87-L248 HydrophobicContact CD1-CD2 4.22Å; L87-P249 HydrophobicContact CD1-CG 4Å
88V98.3Very high96.8Very high8 Ų824.2 Ų24.25%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-119.6140.5-172.3179.40000110.3I65 L82 H85 R145 C147 L248I65-V88 HydrophobicContact CD1-CG1 4.2Å; I65-V88 HydrophobicContact CD1-CG2 4.18Å; L82-V88 HydrophobicContact CB-CG1 4.14Å; L82-V88 VanDerWaalsContact O-CB 3.28Å; L82-V88 WeakPolarHBondContact O-CB 3.25Å; L82-V88 WeakPolarHBondContact O-CG1 3.46Å; H85-V88 HydrophobicContact CB-CB 4.25Å; H85-V88 HydrophobicContact CB-CG2 4.24Å; H85-V88 PolarHBondContact O-N 3.39Å; V88-R145 CarbonylContact C-O 3.5Å; V88-R145 VanDerWaalsContact CA-O 3.26Å; V88-R145 WeakPolarHBondContact CA-O 3.39Å; V88-R145 HydrophobicContact CG2-CB 4.07Å; V88-C147 HydrophobicContact CG1-CB 3.8Å; V88-L248 HydrophobicContact CG2-CD1 3.42Å; V88-L248 VanDerWaalsContact CG2-CD1 3.42Å; V88-L248 HydrophobicContact CG2-CD2 4.29Å
89R97.4Very high96.7Very high13 Ų1328.3 Ų28.35%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-129.2113.4164.5-175.1-83.2-60.6156.8-5.9109.4D83 I136 Q137 P141 A143 R145 L146 C147D83-R89 WeakPolarHBondContact OD1-CA 3.26Å; R89-I136 PolarHBondContact NH1-O 3.17Å; R89-I136 PolarHBondContact NH2-O 3.18Å; R89-Q137 PolarHBondContact NH2-O 2.93Å; R89-P141 HydrophobicContact CG-CG 4.33Å; R89-P141 PolarHBondContact NE-O 2.89Å; R89-A143 HydrophobicContact CB-CB 3.6Å; R89-R145 PolarHBondContact N-O 3.19Å; R89-L146 HydrophobicContact CB-CD2 4.32Å; R89-C147 PolarHBondContact O-N 3.4Å
90C96.6Very high96.7Very high0 Ų029.8 Ų29.80%016%0.159CC..  trans-84.9-55168.4-65.40000110.6R79 D83 C147R79-C90 HydrophobicContact CG-CB 3.81Å; D83-C90 HydrophobicContact CB-CB 4.12Å; D83-C90 PolarHBondContact OD1-N 3.36Å; C90-C147 VanDerWaalsContact CA-CB 3.48Å; C90-C147 WeakPolarHBondContact CA-O 3.34Å; C90-C147 VanDerWaalsContact CA-SG 3.59Å; C90-C147 HydrophobicContact CB-CB 3.66Å; C90-C147 WeakPolarHBondContact CB-SG 3.31Å; C90-C147 VanDerWaalsContact O-O 3.07Å; C90-C147 WeakPolarHBondContact SG-CB 3.49Å; C90-C147 CovalentContact SG-SG 2.03Å; C90-C147 PolarHBondContact SG-SG 3.39Å
91G93.8Very high96.7Very high5 Ų530 Ų305%0.05216%0.16CC..  trans66.7179.3-167.800000112.9R79 D83R79-G91 VanDerWaalsContact CZ-O 3.23Å; R79-G91 PolarHBondContact NE-O 3.28Å; R79-G91 VanDerWaalsContact NH2-C 3.26Å; R79-G91 PolarHBondContact NH2-O 3.14Å; D83-G91 PolarHBondContact OD1-N 2.79Å; D83-G91 VanDerWaalsContact OD1-N 3.12Å; D83-G91 PolarHBondContact OD2-N 3.19Å
92P95.2Very high96.7Very high13 Ų1334.7 Ų34.78%0.08418%0.181CC..SBendtrans-68.2166.7-175.729.2-35.6000113.2M139 K266 N268 E271P92-M139 HydrophobicContact CG-CE 4.18Å; P92-M139 WeakPolarHBondContact O-CE 3.45Å; P92-K266 HydrophobicContact CG-CD 4.22Å; P92-K266 HydrophobicContact CG-CG 4.36Å; P92-N268 HydrophobicContact CB-CB 3.76Å; P92-E271 WeakPolarHBondContact CA-OE1 3.3Å; P92-E271 WeakPolarHBondContact CB-OE1 3.24Å
93E95.5Very high96.7Very high43 Ų4341.3 Ų41.320%0.20121%0.206CC..  trans-63.7125.7175.6-173.7166.2136.500111.1V95 K149 D150 P151 E271E93-V95 HydrophobicContact CG-CG2 3.94Å; E93-K149 WeakPolarHBondContact CA-O 3.37Å; E93-K149 WeakPolarHBondContact CG-O 3.36Å; E93-K149 IonicContact OE2-NZ 2.8Å; E93-K149 PolarHBondContact OE2-NZ 2.92Å; E93-D150 HydrophobicContact CG-CB 4.24Å; E93-P151 VanDerWaalsContact OE2-CD 3.26Å; E93-P151 WeakPolarHBondContact OE2-CD 3.3Å; E93-E271 HydrophobicContact CB-CG 4.07Å; E93-E271 PolarHBondContact N-OE1 2.83Å
94P93.8Very high96.6Very high27 Ų2741.9 Ų41.918%0.17521%0.208CC..  trans-79.1-22-178.429.2-33000113.5V96 V135 M139 H148P94-V96 HydrophobicContact CB-CG1 4.36Å; P94-V96 PolarHBondContact O-N 3.1Å; P94-V135 HydrophobicContact CB-CG1 3.94Å; P94-M139 HydrophobicContact CB-CE 4.08Å; P94-H148 VanDerWaalsContact CG-NE2 3.26Å; P94-H148 WeakPolarHBondContact CG-NE2 3.31Å
95V91.1Very high96.6Very high87 Ų8745.3 Ų45.353%0.52722%0.22SC..SBendtrans62.9-24.3-179.9-172.90000115.2E93E93-V95 HydrophobicContact CG-CG2 3.94Å
96V96.3Very high96.5Very high47 Ų4750.1 Ų50.129%0.28524%0.243SC..Hα-helixtrans-76.8-26.4-176.871.30000113.6P94 R98 E99 I100 F131 V135P94-V96 HydrophobicContact CB-CG1 4.36Å; P94-V96 PolarHBondContact O-N 3.1Å; V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 2.63Å; V96-E99 PolarHBondContact O-N 2.81Å; V96-I100 HydrophobicContact CG2-CG1 4.21Å; V96-I100 PolarHBondContact O-N 3.35Å; V96-I100 VanDerWaalsContact O-N 3.1Å; V96-F131 HydrophobicContact CG1-CE1 4.07Å; V96-F131 HydrophobicContact CG2-CE1 3.91Å; V96-F131 HydrophobicContact CG2-CZ 4.08Å; V96-V135 HydrophobicContact CG1-CG1 4.16Å; V96-V135 HydrophobicContact CG1-CG2 4.31Å
97T97.7Very high96.4Very high1 Ų146.8 Ų46.81%0.00622%0.22CC..Hα-helixtrans-59.4-43.3-173.2-61.50000112.3E99 I100 L101 I132 H148 L160T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 PolarHBondContact O-N 2.9Å; T97-I100 PolarHBondContact O-N 2.89Å; T97-L101 HydrophobicContact CG2-CD1 3.81Å; T97-L101 HydrophobicContact CG2-CG 4.47Å; T97-L101 WeakPolarHBondContact O-CG 3.37Å; T97-L101 PolarHBondContact O-N 3.13Å; T97-I132 HydrophobicContact CG2-CD1 4.1Å; T97-I132 HydrophobicContact CG2-CG1 4.24Å; T97-I132 HydrophobicContact CG2-CG2 4.24Å; T97-H148 WeakPolarHBondContact CB-NE2 3.39Å; T97-H148 PolarHBondContact OG1-NE2 3.03Å; T97-L160 HydrophobicContact CG2-CD2 4.33Å
98R96.8Very high96.2Very high92 Ų9247.9 Ų47.935%0.34722%0.223SC..Hα-helixtrans-57.6-41.2174.2176.2172.1175.2-119.66.1113V96 L101 K102 S152 Y156V96-R98 VanDerWaalsContact C-N 3.34Å; V96-R98 PolarHBondContact O-N 2.63Å; R98-L101 PolarHBondContact O-N 2.65Å; R98-K102 WeakPolarHBondContact O-CB 3.42Å; R98-K102 PolarHBondContact O-N 3.49Å; R98-S152 VanDerWaalsContact CD-CB 3.45Å; R98-S152 WeakPolarHBondContact CD-OG 3.16Å; R98-Y156 HydrophobicContact CG-CE2 4.14Å
99E97.7Very high96.1Very high87 Ų8752.6 Ų52.641%0.40725%0.253SS..Hα-helixtrans-70.8-35.1-177.9-61.2-53.9130.600111.8V96 T97 K102 Y103V96-E99 PolarHBondContact O-N 2.81Å; T97-E99 VanDerWaalsContact C-N 3.3Å; T97-E99 PolarHBondContact O-N 2.9Å; E99-K102 IonicContact OE2-NZ 3.06Å; E99-Y103 WeakPolarHBondContact O-CB 3.48Å; E99-Y103 PolarHBondContact O-N 3.27Å
100I97.8Very high95.9Very high32 Ų3255 Ų5516%0.16427%0.265CS..Hα-helixtrans-64.5-49.2173.2-60.8-60.9000111V96 T97 K102 Y103 R104 F131 I132V96-I100 HydrophobicContact CG2-CG1 4.21Å; V96-I100 PolarHBondContact O-N 3.35Å; V96-I100 VanDerWaalsContact O-N 3.1Å; T97-I100 PolarHBondContact O-N 2.89Å; I100-K102 VanDerWaalsContact C-N 3.32Å; I100-K102 PolarHBondContact O-N 3.09Å; I100-Y103 PolarHBondContact O-N 3.47Å; I100-R104 WeakPolarHBondContact O-CB 3.22Å; I100-R104 PolarHBondContact O-N 3.22Å; I100-F131 HydrophobicContact CD1-CD1 3.83Å; I100-F131 HydrophobicContact CD1-CD2 4.31Å; I100-F131 HydrophobicContact CD1-CE1 3.66Å; I100-F131 HydrophobicContact CD1-CE2 4.15Å; I100-F131 HydrophobicContact CD1-CG 4.16Å; I100-F131 HydrophobicContact CD1-CZ 3.84Å; I100-F131 HydrophobicContact CG1-CD1 3.62Å; I100-F131 HydrophobicContact CG1-CE1 3.57Å; I100-F131 HydrophobicContact CG1-CG 4.35Å; I100-F131 HydrophobicContact CG1-CZ 4.25Å; I100-I132 HydrophobicContact CB-CG1 4.49Å; I100-I132 HydrophobicContact CG2-CD1 4.16Å; I100-I132 HydrophobicContact CG2-CG1 4.18Å
101L98.2Very high95.7Very high3 Ų356.8 Ų56.82%0.01628%0.278CS..Hα-helixtrans-64.2-39.2179.5-66.3165000111.7T97 R98 Y103 R104 R105 I132 Y156 E159 L160 L163T97-L101 HydrophobicContact CG2-CD1 3.81Å; T97-L101 HydrophobicContact CG2-CG 4.47Å; T97-L101 WeakPolarHBondContact O-CG 3.37Å; T97-L101 PolarHBondContact O-N 3.13Å; R98-L101 PolarHBondContact O-N 2.65Å; L101-Y103 PolarHBondContact O-N 2.73Å; L101-R104 PolarHBondContact O-N 3.03Å; L101-R105 WeakPolarHBondContact O-CB 3.42Å; L101-R105 PolarHBondContact O-N 2.83Å; L101-I132 HydrophobicContact CD2-CD1 4.02Å; L101-I132 HydrophobicContact CG-CD1 4.17Å; L101-Y156 HydrophobicContact CB-CD1 3.93Å; L101-Y156 HydrophobicContact CB-CD2 3.73Å; L101-Y156 HydrophobicContact CB-CE1 4.44Å; L101-Y156 HydrophobicContact CB-CE2 4.25Å; L101-Y156 HydrophobicContact CB-CG 3.6Å; L101-Y156 HydrophobicContact CD1-CD2 4.28Å; L101-Y156 HydrophobicContact CD1-CG 4.23Å; L101-Y156 HydrophobicContact CG-CG 4.47Å; L101-E159 HydrophobicContact CD2-CB 4.41Å; L101-L160 HydrophobicContact CD1-CD1 4.1Å; L101-L160 HydrophobicContact CD1-CD2 3.75Å; L101-L160 HydrophobicContact CD1-CG 3.68Å; L101-L160 HydrophobicContact CD2-CD2 4.27Å; L101-L160 HydrophobicContact CD2-CG 4.42Å; L101-L163 HydrophobicContact CD2-CD1 3.68Å
102K97.8Very high95.8Very high103 Ų10363 Ų6345%0.44831%0.31SS..Hα-helixtrans-60.3-45.3173.2-179.5-177.8170.6-1650112R98 E99 I100 H106 Y156R98-K102 WeakPolarHBondContact O-CB 3.42Å; R98-K102 PolarHBondContact O-N 3.49Å; E99-K102 IonicContact OE2-NZ 3.06Å; I100-K102 VanDerWaalsContact C-N 3.32Å; I100-K102 PolarHBondContact O-N 3.09Å; K102-H106 PolarHBondContact O-N 3.02Å; K102-Y156 WeakPolarHBondContact CA-OH 3.26Å; K102-Y156 HydrophobicContact CB-CE2 4.28Å; K102-Y156 VanDerWaalsContact CB-OH 3.26Å; K102-Y156 WeakPolarHBondContact CB-OH 3.34Å; K102-Y156 WeakPolarHBondContact CG-OH 3.28Å
103Y97.4Very high95.8Very high142 Ų14268.5 Ų68.556%0.55734%0.335SS*.Hα-helixtrans-64.2-45.6176.3179.6-116.1000111.1E99 I100 L101 R105 H106 L107E99-Y103 WeakPolarHBondContact O-CB 3.48Å; E99-Y103 PolarHBondContact O-N 3.27Å; I100-Y103 PolarHBondContact O-N 3.47Å; L101-Y103 PolarHBondContact O-N 2.73Å; Y103-R105 PolarHBondContact O-N 3.44Å; Y103-H106 WeakPolarHBondContact O-CB 3.2Å; Y103-H106 PolarHBondContact O-N 3.28Å; Y103-H106 VanDerWaalsContact O-N 3.09Å; Y103-L107 HydrophobicContact CD1-CD1 4.17Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.47Å; Y103-L107 HydrophobicContact CE1-CG 4.27Å; Y103-L107 HydrophobicContact CE2-CD2 4.07Å; Y103-L107 HydrophobicContact CE2-CG 4.33Å; Y103-L107 WeakPolarHBondContact O-CG 3.4Å; Y103-L107 PolarHBondContact O-N 2.66Å
104R96.8Very high95.8Very high19 Ų1967.6 Ų67.67%0.07233%0.331CS..Hα-helixtrans-57.1-46.1176.7175.157.1-17181.73.5112.5I100 L101 H106 L107 E108 D125I100-R104 WeakPolarHBondContact O-CB 3.22Å; I100-R104 PolarHBondContact O-N 3.22Å; L101-R104 PolarHBondContact O-N 3.03Å; R104-H106 VanDerWaalsContact C-N 3.34Å; R104-H106 PolarHBondContact O-N 2.9Å; R104-L107 PolarHBondContact O-N 3.09Å; R104-E108 IonicContact NH1-OE1 3.8Å; R104-E108 PolarHBondContact NH1-OE1 2.9Å; R104-D125 IonicContact CZ-OD1 2.64Å; R104-D125 IonicContact NE-OD1 3.56Å; R104-D125 PolarHBondContact NE-OD1 3.03Å; R104-D125 IonicContact NH2-OD1 2.85Å; R104-D125 PolarHBondContact NH2-OD1 3.47Å; R104-D125 IonicContact NH2-OD2 3.35Å; R104-D125 PolarHBondContact NH2-OD2 3.04Å
105R96.3Very high95.8Very high79 Ų7969.2 Ų69.230%0.29834%0.343SS..Hα-helixtrans-65.3-36175.8-165.7-174.1-76.8165.8-3.6111.8L101 Y103 L107 E108 I155 Y156 E159L101-R105 WeakPolarHBondContact O-CB 3.42Å; L101-R105 PolarHBondContact O-N 2.83Å; Y103-R105 PolarHBondContact O-N 3.44Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 3.42Å; R105-E108 WeakPolarHBondContact O-CB 3.46Å; R105-E108 PolarHBondContact O-N 3.05Å; R105-I155 PolarHBondContact NH2-O 3.01Å; R105-Y156 HydrophobicContact CB-CE1 4.05Å; R105-Y156 VanDerWaalsContact NH1-CE1 3.29Å; R105-E159 IonicContact CZ-OE1 3.41Å; R105-E159 IonicContact CZ-OE2 3.98Å; R105-E159 IonicContact NE-OE1 2.61Å; R105-E159 PolarHBondContact NE-OE1 3.46Å; R105-E159 IonicContact NH2-OE1 3.33Å; R105-E159 PolarHBondContact NH2-OE1 3.33Å; R105-E159 IonicContact NH2-OE2 2.8Å; R105-E159 PolarHBondContact NH2-OE2 3.34Å
106H96.5Very high96.1Very high103 Ų10373.1 Ų73.148%0.47736%0.355SS..Hα-helixtrans-63.6-37.1175.5176.846.2000112.7K102 Y103 R104 E108 T109K102-H106 PolarHBondContact O-N 3.02Å; Y103-H106 WeakPolarHBondContact O-CB 3.2Å; Y103-H106 PolarHBondContact O-N 3.28Å; Y103-H106 VanDerWaalsContact O-N 3.09Å; R104-H106 VanDerWaalsContact C-N 3.34Å; R104-H106 PolarHBondContact O-N 2.9Å; H106-E108 PolarHBondContact O-N 3.43Å; H106-T109 WeakPolarHBondContact O-CB 3.32Å; H106-T109 PolarHBondContact O-N 3.34Å; H106-T109 VanDerWaalsContact O-N 3.08Å; H106-T109 PolarHBondContact O-OG1 3.14Å
107L95.9Very high96Very high15 Ų1575 Ų758%0.07937%0.37CS..Hα-helixtrans-61.6-22.7178.6-67.8176.4000113.2Y103 R104 R105 T109 M110 S111 L114 L124Y103-L107 HydrophobicContact CD1-CD1 4.17Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.47Å; Y103-L107 HydrophobicContact CE1-CG 4.27Å; Y103-L107 HydrophobicContact CE2-CD2 4.07Å; Y103-L107 HydrophobicContact CE2-CG 4.33Å; Y103-L107 WeakPolarHBondContact O-CG 3.4Å; Y103-L107 PolarHBondContact O-N 2.66Å; R104-L107 PolarHBondContact O-N 3.09Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 3.42Å; L107-T109 PolarHBondContact O-N 3.43Å; L107-M110 CarbonylContact O-C 3.52Å; L107-M110 WeakPolarHBondContact O-CA 3.02Å; L107-M110 PolarHBondContact O-N 3.23Å; L107-S111 PolarHBondContact O-N 2.9Å; L107-L114 HydrophobicContact CB-CD1 4.02Å; L107-L114 HydrophobicContact CD2-CD1 4.24Å; L107-L114 WeakPolarHBondContact O-CD1 3.26Å; L107-L124 HydrophobicContact CB-CD1 4.02Å; L107-L124 HydrophobicContact CD1-CD1 3.99Å; L107-L124 HydrophobicContact CD1-CD2 3.81Å; L107-L124 HydrophobicContact CD1-CG 4.46Å
108E93.2Very high95.8Very high86 Ų8677.3 Ų77.340%0.40240%0.395SS..Hα-helixtrans-59.3-33.8173.9-63.5166.8-169.800112R104 R105 H106 M110 S111R104-E108 IonicContact NH1-OE1 3.8Å; R104-E108 PolarHBondContact NH1-OE1 2.9Å; R105-E108 WeakPolarHBondContact O-CB 3.46Å; R105-E108 PolarHBondContact O-N 3.05Å; H106-E108 PolarHBondContact O-N 3.43Å; E108-M110 PolarHBondContact O-N 2.81Å; E108-M110 VanDerWaalsContact O-N 3.13Å; E108-S111 WeakPolarHBondContact O-CB 2.92Å; E108-S111 PolarHBondContact O-N 2.92Å; E108-S111 VanDerWaalsContact O-N 3.15Å
109T96Very high95.6Very high108 Ų10875.7 Ų75.766%0.66339%0.392SS*.THydrogen-bonded Turntrans-68.3-11.4176.568.80000113.5H106 L107H106-T109 WeakPolarHBondContact O-CB 3.32Å; H106-T109 PolarHBondContact O-N 3.34Å; H106-T109 VanDerWaalsContact O-N 3.08Å; H106-T109 PolarHBondContact O-OG1 3.14Å; L107-T109 PolarHBondContact O-N 3.43Å
110M94.6Very high95.2Very high62 Ų6275 Ų7531%0.30539%0.394SS..THydrogen-bonded Turntrans-113.114178.9-58.3176.369.800111.8L107 E108 D112 Q113 L114L107-M110 CarbonylContact O-C 3.52Å; L107-M110 WeakPolarHBondContact O-CA 3.02Å; L107-M110 PolarHBondContact O-N 3.23Å; E108-M110 PolarHBondContact O-N 2.81Å; E108-M110 VanDerWaalsContact O-N 3.13Å; M110-D112 VanDerWaalsContact C-N 3.31Å; M110-D112 PolarHBondContact O-N 3.46Å; M110-Q113 PolarHBondContact O-N 3.44Å; M110-Q113 VanDerWaalsContact O-N 3.08Å; M110-L114 HydrophobicContact CB-CD1 3.99Å; M110-L114 HydrophobicContact CB-CG 4.17Å; M110-L114 WeakPolarHBondContact O-CG 3.14Å; M110-L114 PolarHBondContact O-N 3.23Å
111S92.5Very high94.9Very high39 Ų3978.4 Ų78.427%0.27341%0.409SS..Hα-helixtrans-52.7-45.3-172.9-173.60000112.6L107 E108 Q113 L114 S115L107-S111 PolarHBondContact O-N 2.9Å; E108-S111 WeakPolarHBondContact O-CB 2.92Å; E108-S111 PolarHBondContact O-N 2.92Å; E108-S111 VanDerWaalsContact O-N 3.15Å; S111-Q113 PolarHBondContact O-N 3.23Å; S111-L114 PolarHBondContact O-N 3.5Å; S111-S115 VanDerWaalsContact O-CB 3.31Å; S111-S115 WeakPolarHBondContact O-CB 3.25Å; S111-S115 PolarHBondContact O-N 3.39Å; S111-S115 PolarHBondContact O-OG 3.25Å
112D94.1Very high94.5Very high135 Ų13583.7 Ų83.772%0.72244%0.438SS*.Hα-helixtrans-58.8-50177-72.1-13.8000112.2M110 L114 S115 Q116M110-D112 VanDerWaalsContact C-N 3.31Å; M110-D112 PolarHBondContact O-N 3.46Å; D112-L114 PolarHBondContact O-N 2.88Å; D112-S115 PolarHBondContact O-N 2.03Å; D112-S115 PolarHBondContact O-OG 3.14Å; D112-Q116 WeakPolarHBondContact O-CG 3.19Å; D112-Q116 PolarHBondContact O-N 2.97Å; D112-Q116 VanDerWaalsContact O-N 3.12Å
113Q96.3Very high94.3Very high129 Ų12983.7 Ų83.760%0.60344%0.441SS*.Hα-helixtrans-64.4-40180-178.3-178-25.900112.3M110 S111 Q116 S117M110-Q113 PolarHBondContact O-N 3.44Å; M110-Q113 VanDerWaalsContact O-N 3.08Å; S111-Q113 PolarHBondContact O-N 3.23Å; Q113-Q116 PolarHBondContact O-N 2.96Å; Q113-S117 PolarHBondContact O-N 3.44Å; Q113-S117 PolarHBondContact O-OG 3.4Å
114L95.8Very high94.1Very high24 Ų2478.4 Ų78.413%0.12642%0.422CS..Hα-helixtrans-66.7-41.9178.2-68.3169.6000110.8L107 M110 S111 D112 Q116 S117 G118 I119 L124L107-L114 HydrophobicContact CB-CD1 4.02Å; L107-L114 HydrophobicContact CD2-CD1 4.24Å; L107-L114 WeakPolarHBondContact O-CD1 3.26Å; M110-L114 HydrophobicContact CB-CD1 3.99Å; M110-L114 HydrophobicContact CB-CG 4.17Å; M110-L114 WeakPolarHBondContact O-CG 3.14Å; M110-L114 PolarHBondContact O-N 3.23Å; S111-L114 PolarHBondContact O-N 3.5Å; D112-L114 PolarHBondContact O-N 2.88Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.47Å; L114-S117 CarbonylContact O-C 3.57Å; L114-S117 WeakPolarHBondContact O-CA 3.34Å; L114-S117 WeakPolarHBondContact O-CB 3.49Å; L114-S117 PolarHBondContact O-N 3.09Å; L114-G118 PolarHBondContact O-N 3.17Å; L114-I119 CarbonylContact C-O 3.57Å; L114-I119 HydrophobicContact CB-CB 4.11Å; L114-I119 HydrophobicContact CB-CG2 4.32Å; L114-I119 HydrophobicContact CD2-CB 4.48Å; L114-I119 HydrophobicContact CD2-CD1 3.87Å; L114-I119 HydrophobicContact CD2-CG2 4.43Å; L114-I119 PolarHBondContact O-N 3.3Å; L114-L124 HydrophobicContact CD1-CD1 4.11Å
115S94.1Very high94Very high60 Ų6079.6 Ų79.642%0.4243%0.43SS..Hα-helixtrans-61.9-38.6176.877.10000112.5S111 D112 S117 G118S111-S115 VanDerWaalsContact O-CB 3.31Å; S111-S115 WeakPolarHBondContact O-CB 3.25Å; S111-S115 PolarHBondContact O-N 3.39Å; S111-S115 PolarHBondContact O-OG 3.25Å; D112-S115 PolarHBondContact O-N 2.03Å; D112-S115 PolarHBondContact O-OG 3.14Å; S115-S117 PolarHBondContact O-N 2.83Å; S115-G118 PolarHBondContact O-N 3.43Å
116Q95.9Very high93.9Very high169 Ų16980 Ų8079%0.7944%0.437SS*.Hα-helixtrans-63.9-22.4173.5-64.8-54-55.800112.9D112 Q113 L114D112-Q116 WeakPolarHBondContact O-CG 3.19Å; D112-Q116 PolarHBondContact O-N 2.97Å; D112-Q116 VanDerWaalsContact O-N 3.12Å; Q113-Q116 PolarHBondContact O-N 2.96Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.47Å
117S95.3Very high93.8Very high87 Ų8777.9 Ų77.961%0.60844%0.438SS*.THydrogen-bonded Turntrans-91.62.5174.4-52.60000113Q113 L114 S115 I119Q113-S117 PolarHBondContact O-N 3.44Å; Q113-S117 PolarHBondContact O-OG 3.4Å; L114-S117 CarbonylContact O-C 3.57Å; L114-S117 WeakPolarHBondContact O-CA 3.34Å; L114-S117 WeakPolarHBondContact O-CB 3.49Å; L114-S117 PolarHBondContact O-N 3.09Å; S115-S117 PolarHBondContact O-N 2.83Å; S117-I119 VanDerWaalsContact C-N 3.32Å
118G92.2Very high93.8Very high50 Ų5077.8 Ų77.852%0.51544%0.439SS..THydrogen-bonded Turntrans77.811.4-176.400000114.7L114 S115L114-G118 PolarHBondContact O-N 3.17Å; S115-G118 PolarHBondContact O-N 3.43Å
119I93.3Very high94Very high58 Ų5873.8 Ų73.830%0.29742%0.42SS..  trans-88.5117.9176.6-61.2168.9000108.3L114 S117 L124L114-I119 CarbonylContact C-O 3.57Å; L114-I119 HydrophobicContact CB-CB 4.11Å; L114-I119 HydrophobicContact CB-CG2 4.32Å; L114-I119 HydrophobicContact CD2-CB 4.48Å; L114-I119 HydrophobicContact CD2-CD1 3.87Å; L114-I119 HydrophobicContact CD2-CG2 4.43Å; L114-I119 PolarHBondContact O-N 3.3Å; S117-I119 VanDerWaalsContact C-N 3.32Å; I119-L124 HydrophobicContact CG2-CD1 4.33Å; I119-L124 HydrophobicContact CG2-CD2 3.74Å; I119-L124 HydrophobicContact CG2-CG 3.9Å
120T89.7Confident94Very high73 Ų7370.4 Ų70.445%0.44840%0.403SS..  trans-98.9161.3179.667.20000111.7N122 M123 L124T120-N122 VanDerWaalsContact C-N 3.32Å; T120-N122 PolarHBondContact O-N 3.47Å; T120-M123 WeakPolarHBondContact O-CB 3.37Å; T120-M123 PolarHBondContact O-N 2.69Å; T120-M123 VanDerWaalsContact O-N 3.17Å; T120-M123 WeakPolarHBondContact OG1-CG 3.26Å; T120-M123 PolarHBondContact OG1-N 2.96Å; T120-L124 PolarHBondContact O-N 3.49Å
121E90.4Very high94.1Very high103 Ų10371.9 Ų71.948%0.48141%0.408SS..Hα-helixtrans-57.6-45.1174.8-68.1178.3171.700111.6M123 L124 D125E121-M123 VanDerWaalsContact C-N 3.29Å; E121-M123 PolarHBondContact O-N 3.34Å; E121-L124 WeakPolarHBondContact O-CA 3.05Å; E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.07Å; E121-D125 PolarHBondContact O-N 2.8Å
122N90.7Very high94.3Very high114 Ų11470 Ų7061%0.6140%0.395SS*.Hα-helixtrans-57.3-39.6175.7-66.7-1.3000112.6T120 L124 D125 D126T120-N122 VanDerWaalsContact C-N 3.32Å; T120-N122 PolarHBondContact O-N 3.47Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 PolarHBondContact O-N 3.08Å; N122-D125 PolarHBondContact O-N 3.07Å; N122-D126 WeakPolarHBondContact O-CB 3.16Å; N122-D126 PolarHBondContact O-N 3.33Å
123M93Very high94.4Very high103 Ų10363.6 Ų63.651%0.50736%0.361SS..Hα-helixtrans-65-35.9176.7-73.3174.367.300112.3T120 E121 A127T120-M123 WeakPolarHBondContact O-CB 3.37Å; T120-M123 PolarHBondContact O-N 2.69Å; T120-M123 VanDerWaalsContact O-N 3.17Å; T120-M123 WeakPolarHBondContact OG1-CG 3.26Å; T120-M123 PolarHBondContact OG1-N 2.96Å; E121-M123 VanDerWaalsContact C-N 3.29Å; E121-M123 PolarHBondContact O-N 3.34Å; M123-A127 VanDerWaalsContact O-CB 3.32Å; M123-A127 WeakPolarHBondContact O-CB 3.32Å; M123-A127 PolarHBondContact O-N 2.81Å; M123-A127 VanDerWaalsContact O-N 3.08Å
124L93.9Very high94.4Very high30 Ų3060.8 Ų60.816%0.15735%0.353CS..Hα-helixtrans-72.1-35.7176.3-63177.2000111.4L107 L114 I119 T120 E121 N122 S128L107-L124 HydrophobicContact CB-CD1 4.02Å; L107-L124 HydrophobicContact CD1-CD1 3.99Å; L107-L124 HydrophobicContact CD1-CD2 3.81Å; L107-L124 HydrophobicContact CD1-CG 4.46Å; L114-L124 HydrophobicContact CD1-CD1 4.11Å; I119-L124 HydrophobicContact CG2-CD1 4.33Å; I119-L124 HydrophobicContact CG2-CD2 3.74Å; I119-L124 HydrophobicContact CG2-CG 3.9Å; T120-L124 PolarHBondContact O-N 3.49Å; E121-L124 WeakPolarHBondContact O-CA 3.05Å; E121-L124 WeakPolarHBondContact O-CB 3.45Å; E121-L124 PolarHBondContact O-N 3.07Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 PolarHBondContact O-N 3.08Å; L124-S128 VanDerWaalsContact O-CB 3.25Å; L124-S128 WeakPolarHBondContact O-CB 3.05Å; L124-S128 PolarHBondContact O-N 3.33Å; L124-S128 PolarHBondContact O-OG 3.39Å
125D94Very high94.4Very high45 Ų4561.5 Ų61.524%0.24136%0.358CS..Hα-helixtrans-66.4-49.8174.9-67.7-20.1000111R104 E121 N122 A127 S128 A129 L163R104-D125 IonicContact CZ-OD1 2.64Å; R104-D125 IonicContact NE-OD1 3.56Å; R104-D125 PolarHBondContact NE-OD1 3.03Å; R104-D125 IonicContact NH2-OD1 2.85Å; R104-D125 PolarHBondContact NH2-OD1 3.47Å; R104-D125 IonicContact NH2-OD2 3.35Å; R104-D125 PolarHBondContact NH2-OD2 3.04Å; E121-D125 PolarHBondContact O-N 2.8Å; N122-D125 PolarHBondContact O-N 3.07Å; D125-A127 VanDerWaalsContact C-N 3.3Å; D125-A127 PolarHBondContact O-N 3.24Å; D125-S128 PolarHBondContact O-N 2.68Å; D125-S128 VanDerWaalsContact O-N 3.14Å; D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.44Å; D125-A129 PolarHBondContact O-N 2.87Å; D125-L163 HydrophobicContact CB-CD2 3.55Å; D125-L163 WeakPolarHBondContact O-CD2 3.38Å
126D93.5Very high94.6Very high86 Ų8658.7 Ų58.746%0.4634%0.338SS..Hα-helixtrans-54.9-46.4174.9-70-15000111.1N122 A130N122-D126 WeakPolarHBondContact O-CB 3.16Å; N122-D126 PolarHBondContact O-N 3.33Å; D126-A130 WeakPolarHBondContact O-CB 3.49Å; D126-A130 PolarHBondContact O-N 3.04Å
127A94.6Very high94.5Very high60 Ų6051 Ų5150%0.49630%0.302SS..Hα-helixtrans-65.8-41.5178.400000112.6M123 D125 F131M123-A127 VanDerWaalsContact O-CB 3.32Å; M123-A127 WeakPolarHBondContact O-CB 3.32Å; M123-A127 PolarHBondContact O-N 2.81Å; M123-A127 VanDerWaalsContact O-N 3.08Å; D125-A127 VanDerWaalsContact C-N 3.3Å; D125-A127 PolarHBondContact O-N 3.24Å; A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.34Å
128S96.3Very high94.5Very high13 Ų1352.6 Ų52.69%0.09130%0.3CS..Hα-helixtrans-67.7-45.6179.2-60.60000111.3L124 D125 F131 I132L124-S128 VanDerWaalsContact O-CB 3.25Å; L124-S128 WeakPolarHBondContact O-CB 3.05Å; L124-S128 PolarHBondContact O-N 3.33Å; L124-S128 PolarHBondContact O-OG 3.39Å; D125-S128 PolarHBondContact O-N 2.68Å; D125-S128 VanDerWaalsContact O-N 3.14Å; S128-F131 PolarHBondContact O-N 3Å; S128-I132 WeakPolarHBondContact O-CG1 3.29Å; S128-I132 PolarHBondContact O-N 2.82Å
129A96.9Very high94.5Very high2 Ų252.2 Ų52.22%0.01729%0.285CS..Hα-helixtrans-62.2-46.2175.900000111D125 F131 I132 A133 L163 F164D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.44Å; D125-A129 PolarHBondContact O-N 2.87Å; A129-F131 VanDerWaalsContact C-N 3.35Å; A129-F131 PolarHBondContact O-N 3.1Å; A129-I132 PolarHBondContact O-N 3.01Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.06Å; A129-L163 HydrophobicContact CB-CB 4.3Å; A129-L163 HydrophobicContact CB-CD2 4.35Å; A129-F164 HydrophobicContact CB-CE1 4.38Å; A129-F164 HydrophobicContact CB-CZ 4.2Å
130A96.1Very high94.6Very high37 Ų3750.7 Ų50.731%0.30628%0.284SS..Hα-helixtrans-60.2-42.1177.300000112.3D126 T134D126-A130 WeakPolarHBondContact O-CB 3.49Å; D126-A130 PolarHBondContact O-N 3.04Å; A130-T134 VanDerWaalsContact O-CB 3.26Å; A130-T134 WeakPolarHBondContact O-CB 3.04Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 PolarHBondContact O-OG1 3.08Å
131F96.5Very high94.8Very high93 Ų9351.9 Ų51.941%0.40829%0.293SS..Hα-helixtrans-61.3-53.6175.5-175-75.2000111.1V96 I100 A127 S128 A129 A133 T134 V135V96-F131 HydrophobicContact CG1-CE1 4.07Å; V96-F131 HydrophobicContact CG2-CE1 3.91Å; V96-F131 HydrophobicContact CG2-CZ 4.08Å; I100-F131 HydrophobicContact CD1-CD1 3.83Å; I100-F131 HydrophobicContact CD1-CD2 4.31Å; I100-F131 HydrophobicContact CD1-CE1 3.66Å; I100-F131 HydrophobicContact CD1-CE2 4.15Å; I100-F131 HydrophobicContact CD1-CG 4.16Å; I100-F131 HydrophobicContact CD1-CZ 3.84Å; I100-F131 HydrophobicContact CG1-CD1 3.62Å; I100-F131 HydrophobicContact CG1-CE1 3.57Å; I100-F131 HydrophobicContact CG1-CG 4.35Å; I100-F131 HydrophobicContact CG1-CZ 4.25Å; A127-F131 WeakPolarHBondContact O-CB 3.08Å; A127-F131 PolarHBondContact O-N 3.34Å; S128-F131 PolarHBondContact O-N 3Å; A129-F131 VanDerWaalsContact C-N 3.35Å; A129-F131 PolarHBondContact O-N 3.1Å; F131-A133 PolarHBondContact O-N 2.75Å; F131-T134 PolarHBondContact O-N 2.95Å; F131-V135 HydrophobicContact CD1-CG2 4.06Å; F131-V135 HydrophobicContact CE1-CG2 3.71Å; F131-V135 HydrophobicContact CZ-CG2 4.34Å; F131-V135 WeakPolarHBondContact O-CG2 3.38Å; F131-V135 PolarHBondContact O-N 2.77Å
132I97.5Very high94.9Very high0 Ų051.3 Ų51.30%029%0.291CS..Hα-helixtrans-62.6-46.1-176.9-67.8165.1000110.4T97 I100 L101 S128 A129 T134 V135 I136 L163 F164T97-I132 HydrophobicContact CG2-CD1 4.1Å; T97-I132 HydrophobicContact CG2-CG1 4.24Å; T97-I132 HydrophobicContact CG2-CG2 4.24Å; I100-I132 HydrophobicContact CB-CG1 4.49Å; I100-I132 HydrophobicContact CG2-CD1 4.16Å; I100-I132 HydrophobicContact CG2-CG1 4.18Å; L101-I132 HydrophobicContact CD2-CD1 4.02Å; L101-I132 HydrophobicContact CG-CD1 4.17Å; S128-I132 WeakPolarHBondContact O-CG1 3.29Å; S128-I132 PolarHBondContact O-N 2.82Å; A129-I132 PolarHBondContact O-N 3.01Å; I132-T134 PolarHBondContact O-N 3.31Å; I132-V135 PolarHBondContact O-N 2.98Å; I132-I136 HydrophobicContact CG2-CD1 3.81Å; I132-I136 HydrophobicContact CG2-CG1 4.48Å; I132-I136 VanDerWaalsContact O-CG1 3.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.45Å; I132-I136 PolarHBondContact O-N 3.37Å; I132-L163 HydrophobicContact CD1-CD1 4.28Å; I132-F164 HydrophobicContact CB-CE2 4.19Å; I132-F164 HydrophobicContact CB-CZ 3.86Å; I132-F164 HydrophobicContact CD1-CE2 4.42Å; I132-F164 HydrophobicContact CG2-CE2 3.8Å; I132-F164 HydrophobicContact CG2-CZ 3.68Å
133A97Very high95.1Very high0 Ų047.1 Ų47.10%027%0.272CS..Hα-helixtrans-59.3-47177.600000111.4P59 F64 A129 F131 V135 I136 Q137 F164P59-A133 HydrophobicContact CB-CB 3.41Å; P59-A133 VanDerWaalsContact CB-CB 3.41Å; F64-A133 HydrophobicContact CE2-CB 3.95Å; F64-A133 HydrophobicContact CZ-CB 3.99Å; A129-A133 WeakPolarHBondContact O-CB 3.43Å; A129-A133 PolarHBondContact O-N 3.06Å; F131-A133 PolarHBondContact O-N 2.75Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 2.87Å; A133-I136 PolarHBondContact O-N 3.06Å; A133-I136 VanDerWaalsContact O-N 3.14Å; A133-Q137 WeakPolarHBondContact O-CB 3.33Å; A133-Q137 VanDerWaalsContact O-CG 3.25Å; A133-Q137 WeakPolarHBondContact O-CG 3.29Å; A133-Q137 PolarHBondContact O-N 2.8Å; A133-F164 HydrophobicContact CB-CE1 4.1Å; A133-F164 HydrophobicContact CB-CZ 4.49Å
134T95.6Very high95.2Very high70 Ų7045.8 Ų45.843%0.42927%0.271SS..Hα-helixtrans-59.4-45.5178.6-59.30000111.1A130 F131 I132 I136 Q137 E138A130-T134 VanDerWaalsContact O-CB 3.26Å; A130-T134 WeakPolarHBondContact O-CB 3.04Å; A130-T134 PolarHBondContact O-N 2.92Å; A130-T134 PolarHBondContact O-OG1 3.08Å; F131-T134 PolarHBondContact O-N 2.95Å; I132-T134 PolarHBondContact O-N 3.31Å; T134-I136 VanDerWaalsContact C-N 3.34Å; T134-I136 PolarHBondContact O-N 2.98Å; T134-Q137 PolarHBondContact O-N 2.78Å; T134-E138 HydrophobicContact CG2-CG 4.02Å; T134-E138 WeakPolarHBondContact O-CB 3.41Å; T134-E138 VanDerWaalsContact O-CG 3.3Å; T134-E138 WeakPolarHBondContact O-CG 3.49Å; T134-E138 PolarHBondContact O-N 3.27Å
135V96.5Very high95.4Very high39 Ų3946 Ų4624%0.23627%0.269CS..Hα-helixtrans-59.1-47175.6171.60000110.9P94 V96 F131 I132 A133 Q137 M139P94-V135 HydrophobicContact CB-CG1 3.94Å; V96-V135 HydrophobicContact CG1-CG1 4.16Å; V96-V135 HydrophobicContact CG1-CG2 4.31Å; F131-V135 HydrophobicContact CD1-CG2 4.06Å; F131-V135 HydrophobicContact CE1-CG2 3.71Å; F131-V135 HydrophobicContact CZ-CG2 4.34Å; F131-V135 WeakPolarHBondContact O-CG2 3.38Å; F131-V135 PolarHBondContact O-N 2.77Å; I132-V135 PolarHBondContact O-N 2.98Å; A133-V135 VanDerWaalsContact C-N 3.34Å; A133-V135 PolarHBondContact O-N 2.87Å; V135-Q137 VanDerWaalsContact C-N 3.33Å; V135-Q137 PolarHBondContact O-N 2.75Å; V135-M139 VanDerWaalsContact O-CB 3.29Å; V135-M139 WeakPolarHBondContact O-CB 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.05Å; V135-M139 PolarHBondContact O-N 3.37Å
136I96.9Very high95.6Very high0 Ų044.4 Ų44.40%026%0.261CS..Hα-helixtrans-59.8-45.3178.1-66165.6000110.2F64 F66 R89 I132 A133 T134 L146 H148F64-I136 HydrophobicContact CD1-CB 4.49Å; F64-I136 HydrophobicContact CD1-CD1 4.2Å; F64-I136 HydrophobicContact CD1-CG2 3.72Å; F64-I136 HydrophobicContact CE1-CB 3.93Å; F64-I136 HydrophobicContact CE1-CD1 4.23Å; F64-I136 HydrophobicContact CE1-CG2 3.38Å; F64-I136 HydrophobicContact CG-CD1 4.35Å; F64-I136 HydrophobicContact CZ-CB 4.31Å; F64-I136 HydrophobicContact CZ-CD1 4.39Å; F64-I136 HydrophobicContact CZ-CG2 4.25Å; F66-I136 HydrophobicContact CE1-CD1 4Å; F66-I136 HydrophobicContact CZ-CD1 3.89Å; R89-I136 PolarHBondContact NH1-O 3.17Å; R89-I136 PolarHBondContact NH2-O 3.18Å; I132-I136 HydrophobicContact CG2-CD1 3.81Å; I132-I136 HydrophobicContact CG2-CG1 4.48Å; I132-I136 VanDerWaalsContact O-CG1 3.32Å; I132-I136 WeakPolarHBondContact O-CG1 3.45Å; I132-I136 PolarHBondContact O-N 3.37Å; A133-I136 PolarHBondContact O-N 3.06Å; A133-I136 VanDerWaalsContact O-N 3.14Å; T134-I136 VanDerWaalsContact C-N 3.34Å; T134-I136 PolarHBondContact O-N 2.98Å; I136-L146 HydrophobicContact CG2-CB 3.9Å; I136-L146 HydrophobicContact CG2-CD1 4.35Å; I136-H148 HydrophobicContact CD1-CB 3.84Å; I136-H148 HydrophobicContact CG1-CB 4.04Å
137Q95.1Very high95.8Very high9 Ų940.3 Ų40.34%0.04224%0.239CC..Hα-helixtrans-69.3-40.4-175.5-69.4-173-74.100113.3Y47 Y57 L62 F64 R89 A133 T134 V135 Q142 L146Y47-Q137 PolarHBondContact OH-NE2 3.48Å; Y57-Q137 PolarHBondContact OH-NE2 2.89Å; Y57-Q137 PolarHBondContact OH-OE1 2.86Å; L62-Q137 HydrophobicContact CD1-CG 4.35Å; F64-Q137 HydrophobicContact CZ-CG 4.34Å; R89-Q137 PolarHBondContact NH2-O 2.93Å; A133-Q137 WeakPolarHBondContact O-CB 3.33Å; A133-Q137 VanDerWaalsContact O-CG 3.25Å; A133-Q137 WeakPolarHBondContact O-CG 3.29Å; A133-Q137 PolarHBondContact O-N 2.8Å; T134-Q137 PolarHBondContact O-N 2.78Å; V135-Q137 VanDerWaalsContact C-N 3.33Å; V135-Q137 PolarHBondContact O-N 2.75Å; Q137-Q142 PolarHBondContact O-NE2 3.47Å; Q137-L146 HydrophobicContact CB-CD1 4.32Å; Q137-L146 HydrophobicContact CG-CD1 3.71Å
138E94.4Very high96Very high120 Ų12037.6 Ų37.656%0.56122%0.216SC*.Hα-helixtrans-93.3-12.8-169-61.3-60.2142.300113.9T134 G140T134-E138 HydrophobicContact CG2-CG 4.02Å; T134-E138 WeakPolarHBondContact O-CB 3.41Å; T134-E138 VanDerWaalsContact O-CG 3.3Å; T134-E138 WeakPolarHBondContact O-CG 3.49Å; T134-E138 PolarHBondContact O-N 3.27Å; E138-G140 PolarHBondContact O-N 2.94Å; E138-G140 VanDerWaalsContact O-N 3.17Å
139M93.6Very high96Very high41 Ų4137.1 Ų37.120%0.20221%0.212CC..SBendtrans-72.1-7.4-176.271.2-174.4-49.300115.5P92 P94 V135P92-M139 HydrophobicContact CG-CE 4.18Å; P92-M139 WeakPolarHBondContact O-CE 3.45Å; P94-M139 HydrophobicContact CB-CE 4.08Å; V135-M139 VanDerWaalsContact O-CB 3.29Å; V135-M139 WeakPolarHBondContact O-CB 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.05Å; V135-M139 PolarHBondContact O-N 3.37Å
140G93.7Very high96Very high27 Ų2737 Ų3728%0.27821%0.212SC..SBendtrans-166.9-174.8-174.700000112.7E138E138-G140 PolarHBondContact O-N 2.94Å; E138-G140 VanDerWaalsContact O-N 3.17Å
141P93.8Very high96Very high98 Ų9836 Ų3664%0.63620%0.201SC*.  trans-63.1154.8176.728.1-33.9000111.2R89R89-P141 HydrophobicContact CG-CG 4.33Å; R89-P141 PolarHBondContact NE-O 2.89Å
142Q92.6Very high95.9Very high91 Ų9133.1 Ų33.143%0.42519%0.193SC..  trans-69146.7173.8-61.4-54.9-38.900110.8Q137Q137-Q142 PolarHBondContact O-NE2 3.47Å
143A95.7Very high95.9Very high26 Ų2633.1 Ų33.122%0.21519%0.193CC..  trans-148.5155.7173.100000109.8R89 R145 L146R89-A143 HydrophobicContact CB-CB 3.6Å; A143-R145 PolarHBondContact O-N 3.05Å; A143-L146 HydrophobicContact CB-CD2 4.09Å
144P95.1Very high95.9Very high74 Ų7433.1 Ų33.148%0.48119%0.193SC..SBendtrans-55.5-33.6178.8-28.636.4000114.2L87L87-P144 HydrophobicContact CB-CB 4.46Å; L87-P144 HydrophobicContact CB-CG 4.44Å; L87-P144 HydrophobicContact CD2-CG 4.12Å; L87-P144 WeakPolarHBondContact O-CD 3.41Å
145R97.7Very high95.9Very high34 Ų3432.4 Ų32.413%0.12819%0.186CC..EExtended strand (participates in β ladder)trans-126123.2174.6-63.6-63.2-64.6-76.4-1.8109.5P63 I65 L87 V88 R89 A143 L246 L248P63-R145 PolarHBondContact O-NE 2.8Å; P63-R145 PolarHBondContact O-NH2 3.31Å; P63-R145 VanDerWaalsContact O-NH2 3.09Å; I65-R145 HydrophobicContact CD1-CB 4.2Å; L87-R145 PolarHBondContact O-N 3.3Å; V88-R145 CarbonylContact C-O 3.5Å; V88-R145 VanDerWaalsContact CA-O 3.26Å; V88-R145 WeakPolarHBondContact CA-O 3.39Å; V88-R145 HydrophobicContact CG2-CB 4.07Å; R89-R145 PolarHBondContact N-O 3.19Å; A143-R145 PolarHBondContact O-N 3.05Å; R145-L246 PolarHBondContact NH1-O 3.18Å; R145-L248 HydrophobicContact CG-CD2 4.13Å
146L98Very high96Very high13 Ų1331.5 Ų31.57%0.06818%0.178CC..EExtended strand (participates in β ladder)trans-98.1136.4177.5-61.4-174.6000109.7F64 I65 R89 I136 Q137 A143F64-L146 CarbonylContact C-O 3.6Å; F64-L146 WeakPolarHBondContact CA-O 3.38Å; F64-L146 HydrophobicContact CD1-CB 3.71Å; F64-L146 HydrophobicContact CE1-CB 3.74Å; F64-L146 HydrophobicContact CE1-CD1 3.99Å; F64-L146 HydrophobicContact CE1-CG 4.46Å; I65-L146 PolarHBondContact N-O 3.03Å; R89-L146 HydrophobicContact CB-CD2 4.32Å; I136-L146 HydrophobicContact CG2-CB 3.9Å; I136-L146 HydrophobicContact CG2-CD1 4.35Å; Q137-L146 HydrophobicContact CB-CD1 4.32Å; Q137-L146 HydrophobicContact CG-CD1 3.71Å; A143-L146 HydrophobicContact CB-CD2 4.09Å
147C98.3Very high96.1Very high0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-119.1152-177.8158.30000109.6I65 I67 V88 R89 C90I65-C147 HydrophobicContact CB-CB 3.96Å; I65-C147 CarbonylContact O-C 3.44Å; I65-C147 WeakPolarHBondContact O-CA 3.33Å; I67-C147 WeakPolarHBondContact CD1-SG 3.26Å; V88-C147 HydrophobicContact CG1-CB 3.8Å; R89-C147 PolarHBondContact O-N 3.4Å; C90-C147 VanDerWaalsContact CA-CB 3.48Å; C90-C147 WeakPolarHBondContact CA-O 3.34Å; C90-C147 VanDerWaalsContact CA-SG 3.59Å; C90-C147 HydrophobicContact CB-CB 3.66Å; C90-C147 WeakPolarHBondContact CB-SG 3.31Å; C90-C147 VanDerWaalsContact O-O 3.07Å; C90-C147 WeakPolarHBondContact SG-CB 3.49Å; C90-C147 CovalentContact SG-SG 2.03Å; C90-C147 PolarHBondContact SG-SG 3.39Å
148H98Very high96.2Very high2 Ų233.4 Ų33.41%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-136.3125.5179.6172.9-80.9000108I65 F66 I67 P94 T97 I136 D150I65-H148 PolarHBondContact O-N 3.45Å; F66-H148 CarbonylContact C-O 3.56Å; F66-H148 WeakPolarHBondContact CA-O 3.17Å; F66-H148 HydrophobicContact CD1-CB 3.8Å; F66-H148 AromaticContact CD1-CG 3.76Å; F66-H148 AromaticContact CD1-ND1 3.37Å; F66-H148 WeakPolarHBondContact CD1-ND1 3.46Å; F66-H148 HydrophobicContact CE1-CB 3.89Å; F66-H148 AromaticContact CE1-CG 3.76Å; F66-H148 AromaticContact CE1-ND1 3.69Å; I67-H148 PolarHBondContact N-O 2.76Å; P94-H148 VanDerWaalsContact CG-NE2 3.26Å; P94-H148 WeakPolarHBondContact CG-NE2 3.31Å; T97-H148 WeakPolarHBondContact CB-NE2 3.39Å; T97-H148 PolarHBondContact OG1-NE2 3.03Å; I136-H148 HydrophobicContact CD1-CB 3.84Å; I136-H148 HydrophobicContact CG1-CB 4.04Å; H148-D150 VanDerWaalsContact CE1-CB 3.41Å; H148-D150 WeakPolarHBondContact CE1-CB 3.5Å
149K97.7Very high96.3Very high4 Ų429.6 Ų29.62%0.01717%0.17CC..EExtended strand (participates in β ladder)trans-120.2115.1173-177.5-84.4-54.1-176.60109.2I67 R79 E93 P151 E271I67-K149 HydrophobicContact CB-CB 4.04Å; I67-K149 HydrophobicContact CB-CG 4.01Å; I67-K149 HydrophobicContact CD1-CB 4.45Å; I67-K149 HydrophobicContact CG2-CG 4.1Å; I67-K149 WeakPolarHBondContact O-CA 3.2Å; R79-K149 HydrophobicContact CB-CB 3.97Å; R79-K149 HydrophobicContact CB-CG 3.97Å; R79-K149 VanDerWaalsContact CD-CE 3.46Å; R79-K149 HydrophobicContact CG-CB 3.97Å; R79-K149 HydrophobicContact CG-CG 4.42Å; E93-K149 WeakPolarHBondContact CA-O 3.37Å; E93-K149 WeakPolarHBondContact CG-O 3.36Å; E93-K149 IonicContact OE2-NZ 2.8Å; E93-K149 PolarHBondContact OE2-NZ 2.92Å; K149-P151 HydrophobicContact CD-CG 4.03Å; K149-E271 IonicContact NZ-OE2 3.46Å; K149-E271 PolarHBondContact NZ-OE2 3.02Å
150D96.5Very high96.5Very high0 Ų027.6 Ų27.60%016%0.16CC..  trans-148.2100.3169.7177.2-9.4000107.6I67 E93 H148 S152 S153I67-D150 PolarHBondContact O-N 3.3Å; E93-D150 HydrophobicContact CG-CB 4.24Å; H148-D150 VanDerWaalsContact CE1-CB 3.41Å; H148-D150 WeakPolarHBondContact CE1-CB 3.5Å; D150-S152 PolarHBondContact O-N 3.03Å; D150-S152 VanDerWaalsContact O-N 3.16Å; D150-S152 WeakPolarHBondContact OD1-CA 3.45Å; D150-S152 WeakPolarHBondContact OD1-CB 3.39Å; D150-S152 PolarHBondContact OD1-N 2.69Å; D150-S152 PolarHBondContact OD1-OG 2.81Å; D150-S153 PolarHBondContact O-N 2.87Å; D150-S153 VanDerWaalsContact O-N 3.16Å; D150-S153 PolarHBondContact O-OG 2.61Å; D150-S153 PolarHBondContact OD1-N 3.13Å
151P96.5Very high96.6Very high14 Ų1426.5 Ų26.59%0.09115%0.148CC..G310 helixtrans-60.8-30.4-176.1-18.934.1000111.7G69 T75 E93 K149 F154G69-P151 VanDerWaalsContact O-CB 3.27Å; G69-P151 WeakPolarHBondContact O-CB 3.24Å; T75-P151 HydrophobicContact CG2-CB 4.23Å; T75-P151 HydrophobicContact CG2-CG 4.1Å; T75-P151 WeakPolarHBondContact OG1-CG 3.37Å; E93-P151 VanDerWaalsContact OE2-CD 3.26Å; E93-P151 WeakPolarHBondContact OE2-CD 3.3Å; K149-P151 HydrophobicContact CD-CG 4.03Å; P151-F154 PolarHBondContact O-N 2.85Å
152S93.7Very high96.7Very high34 Ų3426.4 Ų26.424%0.23814%0.142CC..G310 helixtrans-76.1-25.6-176.179.80000112.6R98 D150 F154 I155R98-S152 VanDerWaalsContact CD-CB 3.45Å; R98-S152 WeakPolarHBondContact CD-OG 3.16Å; D150-S152 PolarHBondContact O-N 3.03Å; D150-S152 VanDerWaalsContact O-N 3.16Å; D150-S152 WeakPolarHBondContact OD1-CA 3.45Å; D150-S152 WeakPolarHBondContact OD1-CB 3.39Å; D150-S152 PolarHBondContact OD1-N 2.69Å; D150-S152 PolarHBondContact OD1-OG 2.81Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 2.98Å; S152-I155 WeakPolarHBondContact O-CG1 3.44Å
153S96.8Very high96.9Very high0 Ų022.5 Ų22.50%012%0.124CC..G310 helixtrans-69-23.5175.970.20000113.5D150 I155 Y156D150-S153 PolarHBondContact O-N 2.87Å; D150-S153 VanDerWaalsContact O-N 3.16Å; D150-S153 PolarHBondContact O-OG 2.61Å; D150-S153 PolarHBondContact OD1-N 3.13Å; S153-I155 PolarHBondContact O-N 3.04Å; S153-I155 VanDerWaalsContact O-N 3.07Å; S153-Y156 WeakPolarHBondContact O-CB 3.39Å; S153-Y156 PolarHBondContact O-N 3.16Å
154F97.5Very high97Very high0 Ų021.2 Ų21.20%011%0.114CC..G310 helixtrans-69.4-5.7-177.4-91.9-130.8000114.3F66 I67 G68 P151 S152 Y156 L157 F169 I170 H171 M211F66-F154 HydrophobicContact CB-CE2 3.96Å; F66-F154 HydrophobicContact CB-CZ 4.13Å; I67-F154 VanDerWaalsContact C-CZ 3.46Å; G68-F154 VanDerWaalsContact CA-CD2 3.48Å; G68-F154 VanDerWaalsContact N-CE2 3.26Å; P151-F154 PolarHBondContact O-N 2.85Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 2.98Å; F154-Y156 PolarHBondContact O-N 3.05Å; F154-L157 HydrophobicContact CD1-CD1 4.05Å; F154-L157 HydrophobicContact CD1-CD2 4.06Å; F154-L157 HydrophobicContact CD1-CG 4.48Å; F154-L157 HydrophobicContact CE1-CD1 3.93Å; F154-L157 HydrophobicContact CE1-CD2 4.32Å; F154-L157 HydrophobicContact CG-CD1 4.44Å; F154-L157 HydrophobicContact CZ-CD1 4.22Å; F154-L157 VanDerWaalsContact O-CB 3.28Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 PolarHBondContact O-N 2.78Å; F154-F169 HydrophobicContact CZ-CB 4.46Å; F154-F169 HydrophobicContact CZ-CD1 4.27Å; F154-I170 WeakPolarHBondContact CE1-O 3.2Å; F154-H171 HydrophobicContact CE1-CB 4.32Å; F154-M211 HydrophobicContact CB-CE 3.6Å; F154-M211 HydrophobicContact CB-CG 4.47Å; F154-M211 HydrophobicContact CB-SD 4.17Å
155I96.9Very high97Very high55 Ų5521 Ų2128%0.28211%0.112SC..G310 helixtrans-70.3-9.3166.273-177.6000112.3R105 S152 S153 T207 M211R105-I155 PolarHBondContact NH2-O 3.01Å; S152-I155 WeakPolarHBondContact O-CG1 3.44Å; S153-I155 PolarHBondContact O-N 3.04Å; S153-I155 VanDerWaalsContact O-N 3.07Å; I155-T207 HydrophobicContact CG2-CG2 4.23Å; I155-M211 HydrophobicContact CG2-CE 3.89Å
156Y97.8Very high97Very high19 Ų1924.7 Ų24.78%0.07513%0.129CC..G310 helixtrans-118.535.7174.2-57.9-86.2000110.1R98 L101 K102 R105 S153 F154 E158 E159 L160R98-Y156 HydrophobicContact CG-CE2 4.14Å; L101-Y156 HydrophobicContact CB-CD1 3.93Å; L101-Y156 HydrophobicContact CB-CD2 3.73Å; L101-Y156 HydrophobicContact CB-CE1 4.44Å; L101-Y156 HydrophobicContact CB-CE2 4.25Å; L101-Y156 HydrophobicContact CB-CG 3.6Å; L101-Y156 HydrophobicContact CD1-CD2 4.28Å; L101-Y156 HydrophobicContact CD1-CG 4.23Å; L101-Y156 HydrophobicContact CG-CG 4.47Å; K102-Y156 WeakPolarHBondContact CA-OH 3.26Å; K102-Y156 HydrophobicContact CB-CE2 4.28Å; K102-Y156 VanDerWaalsContact CB-OH 3.26Å; K102-Y156 WeakPolarHBondContact CB-OH 3.34Å; K102-Y156 WeakPolarHBondContact CG-OH 3.28Å; R105-Y156 HydrophobicContact CB-CE1 4.05Å; R105-Y156 VanDerWaalsContact NH1-CE1 3.29Å; S153-Y156 WeakPolarHBondContact O-CB 3.39Å; S153-Y156 PolarHBondContact O-N 3.16Å; F154-Y156 PolarHBondContact O-N 3.05Å; Y156-E158 VanDerWaalsContact C-N 3.33Å; Y156-E158 PolarHBondContact O-N 3.05Å; Y156-E159 VanDerWaalsContact C-OE2 3.28Å; Y156-E159 WeakPolarHBondContact CA-OE2 3.26Å; Y156-E159 PolarHBondContact O-N 3Å; Y156-L160 WeakPolarHBondContact O-CG 3.48Å; Y156-L160 PolarHBondContact O-N 3.31Å
157L98.4Very high97Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-63.9-39.5-173175.357.9000111.7F154 L160 A161 F169 D214 C215 I218F154-L157 HydrophobicContact CD1-CD1 4.05Å; F154-L157 HydrophobicContact CD1-CD2 4.06Å; F154-L157 HydrophobicContact CD1-CG 4.48Å; F154-L157 HydrophobicContact CE1-CD1 3.93Å; F154-L157 HydrophobicContact CE1-CD2 4.32Å; F154-L157 HydrophobicContact CG-CD1 4.44Å; F154-L157 HydrophobicContact CZ-CD1 4.22Å; F154-L157 VanDerWaalsContact O-CB 3.28Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 PolarHBondContact O-N 2.78Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-A161 PolarHBondContact O-N 2.86Å; L157-F169 HydrophobicContact CD1-CB 4.02Å; L157-F169 HydrophobicContact CD1-CD1 3.3Å; L157-F169 HydrophobicContact CD1-CE1 3.92Å; L157-F169 HydrophobicContact CD1-CG 3.69Å; L157-D214 HydrophobicContact CB-CB 3.99Å; L157-D214 HydrophobicContact CD2-CB 3.92Å; L157-D214 HydrophobicContact CG-CB 4.06Å; L157-C215 HydrophobicContact CD2-CB 4.25Å; L157-I218 HydrophobicContact CD1-CD1 3.93Å; L157-I218 HydrophobicContact CD2-CD1 4.24Å; L157-I218 HydrophobicContact CG-CD1 3.6Å
158E96.8Very high97Very high49 Ų4925.3 Ų25.323%0.22913%0.131CC..Hα-helixtrans-60.6-50.1174.4-170.3174.5174.900111.2Y156 L160 A161 D162 R210 Y217Y156-E158 VanDerWaalsContact C-N 3.33Å; Y156-E158 PolarHBondContact O-N 3.05Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 2.73Å; E158-A161 WeakPolarHBondContact O-CA 3.41Å; E158-A161 WeakPolarHBondContact O-CB 3.35Å; E158-A161 PolarHBondContact O-N 2.87Å; E158-D162 PolarHBondContact O-N 2.97Å; E158-R210 IonicContact OE2-NH2 2.72Å; E158-R210 PolarHBondContact OE2-NH2 2.88Å; E158-Y217 HydrophobicContact CG-CD1 3.89Å; E158-Y217 HydrophobicContact CG-CE1 3.72Å; E158-Y217 WeakPolarHBondContact OE1-CE1 3.28Å
159E96.5Very high97Very high40 Ų4025.2 Ų25.219%0.18713%0.131CC..Hα-helixtrans-63.1-38.5178-65.888.9158.400112.5L101 R105 Y156 A161 D162 L163L101-E159 HydrophobicContact CD2-CB 4.41Å; R105-E159 IonicContact CZ-OE1 3.41Å; R105-E159 IonicContact CZ-OE2 3.98Å; R105-E159 IonicContact NE-OE1 2.61Å; R105-E159 PolarHBondContact NE-OE1 3.46Å; R105-E159 IonicContact NH2-OE1 3.33Å; R105-E159 PolarHBondContact NH2-OE1 3.33Å; R105-E159 IonicContact NH2-OE2 2.8Å; R105-E159 PolarHBondContact NH2-OE2 3.34Å; Y156-E159 VanDerWaalsContact C-OE2 3.28Å; Y156-E159 WeakPolarHBondContact CA-OE2 3.26Å; Y156-E159 PolarHBondContact O-N 3Å; E159-A161 PolarHBondContact O-N 2.75Å; E159-D162 PolarHBondContact O-N 3.26Å; E159-L163 WeakPolarHBondContact O-CB 3.49Å; E159-L163 VanDerWaalsContact O-CG 3.23Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 2.95Å
160L97.9Very high97.1Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-60.4-36.2172.7-81.2172000111.8F66 T97 L101 Y156 L157 E158 F164 F169F66-L160 HydrophobicContact CD1-CD1 4.3Å; F66-L160 HydrophobicContact CD1-CD2 4.35Å; F66-L160 HydrophobicContact CE1-CD2 3.87Å; F66-L160 HydrophobicContact CZ-CD2 4.18Å; T97-L160 HydrophobicContact CG2-CD2 4.33Å; L101-L160 HydrophobicContact CD1-CD1 4.1Å; L101-L160 HydrophobicContact CD1-CD2 3.75Å; L101-L160 HydrophobicContact CD1-CG 3.68Å; L101-L160 HydrophobicContact CD2-CD2 4.27Å; L101-L160 HydrophobicContact CD2-CG 4.42Å; Y156-L160 WeakPolarHBondContact O-CG 3.48Å; Y156-L160 PolarHBondContact O-N 3.31Å; L157-L160 PolarHBondContact O-N 2.86Å; E158-L160 VanDerWaalsContact C-N 3.33Å; E158-L160 PolarHBondContact O-N 2.73Å; L160-F164 HydrophobicContact CD2-CD2 4.3Å; L160-F164 HydrophobicContact CD2-CE2 4.24Å; L160-F164 WeakPolarHBondContact O-CD2 3.36Å; L160-F164 PolarHBondContact O-N 3.05Å; L160-F169 HydrophobicContact CB-CE1 3.78Å; L160-F169 HydrophobicContact CB-CZ 4.18Å
161A97.6Very high97.2Very high3 Ų325 Ų253%0.02513%0.13CC..Hα-helixtrans-72.6-32.2177.800000112.8L157 E158 E159 F164 F169 I218 R222L157-A161 PolarHBondContact O-N 2.86Å; E158-A161 WeakPolarHBondContact O-CA 3.41Å; E158-A161 WeakPolarHBondContact O-CB 3.35Å; E158-A161 PolarHBondContact O-N 2.87Å; E159-A161 PolarHBondContact O-N 2.75Å; A161-F164 CarbonylContact O-C 3.55Å; A161-F169 HydrophobicContact CB-CE2 3.72Å; A161-F169 HydrophobicContact CB-CZ 3.91Å; A161-I218 HydrophobicContact CB-CD1 3.51Å; A161-I218 HydrophobicContact CB-CG1 3.53Å; A161-I218 HydrophobicContact CB-CG2 4.33Å; A161-R222 PolarHBondContact O-NH1 3.46Å; A161-R222 PolarHBondContact O-NH2 2.78Å
162D95Very high97.3Very high97 Ų9724.4 Ų24.452%0.51913%0.126SC..Hα-helixtrans-70.4-44.8173.3-65.5-24.3000111.1E158 E159 F164E158-D162 PolarHBondContact O-N 2.97Å; E159-D162 PolarHBondContact O-N 3.26Å; D162-F164 VanDerWaalsContact C-N 3.3Å; D162-F164 PolarHBondContact O-N 3.36Å
163L96.3Very high97.5Very high8 Ų823 Ų234%0.04212%0.116CC..Hα-helixtrans-67.8-25.9178.5-67.5-178.7000113.8S60 L101 D125 A129 I132 E159S60-L163 WeakPolarHBondContact CB-O 3.48Å; L101-L163 HydrophobicContact CD2-CD1 3.68Å; D125-L163 HydrophobicContact CB-CD2 3.55Å; D125-L163 WeakPolarHBondContact O-CD2 3.38Å; A129-L163 HydrophobicContact CB-CB 4.3Å; A129-L163 HydrophobicContact CB-CD2 4.35Å; I132-L163 HydrophobicContact CD1-CD1 4.28Å; E159-L163 WeakPolarHBondContact O-CB 3.49Å; E159-L163 VanDerWaalsContact O-CG 3.23Å; E159-L163 WeakPolarHBondContact O-CG 3.28Å; E159-L163 PolarHBondContact O-N 2.95Å
164F97.7Very high97.5Very high0 Ų023.7 Ų23.70%012%0.118CC..  trans-130.676.8-177.1-62-79.3000112.2S60 F64 F66 A129 I132 A133 L160 A161 D162 K166 A167 R222S60-F164 WeakPolarHBondContact O-CA 3.43Å; S60-F164 VanDerWaalsContact O-CD1 3.31Å; S60-F164 WeakPolarHBondContact O-CD1 3.42Å; F64-F164 AromaticContact CD2-CD1 3.56Å; F64-F164 HydrophobicContact CD2-CD1 3.56Å; F64-F164 AromaticContact CD2-CE1 3.78Å; F64-F164 HydrophobicContact CD2-CE1 3.78Å; F64-F164 HydrophobicContact CD2-CG 4.34Å; F64-F164 AromaticContact CE2-CD1 3.83Å; F64-F164 HydrophobicContact CE2-CD1 3.83Å; F64-F164 AromaticContact CE2-CE1 3.62Å; F64-F164 HydrophobicContact CE2-CE1 3.62Å; F66-F164 HydrophobicContact CE2-CB 4.21Å; F66-F164 AromaticContact CE2-CD2 3.91Å; F66-F164 HydrophobicContact CE2-CD2 3.91Å; F66-F164 HydrophobicContact CE2-CG 4.01Å; F66-F164 AromaticContact CZ-CD2 3.7Å; F66-F164 HydrophobicContact CZ-CD2 3.7Å; F66-F164 AromaticContact CZ-CE2 3.87Å; F66-F164 HydrophobicContact CZ-CE2 3.87Å; F66-F164 HydrophobicContact CZ-CG 4.15Å; F66-F164 HydrophobicContact CZ-CZ 4.45Å; A129-F164 HydrophobicContact CB-CE1 4.38Å; A129-F164 HydrophobicContact CB-CZ 4.2Å; I132-F164 HydrophobicContact CB-CE2 4.19Å; I132-F164 HydrophobicContact CB-CZ 3.86Å; I132-F164 HydrophobicContact CD1-CE2 4.42Å; I132-F164 HydrophobicContact CG2-CE2 3.8Å; I132-F164 HydrophobicContact CG2-CZ 3.68Å; A133-F164 HydrophobicContact CB-CE1 4.1Å; A133-F164 HydrophobicContact CB-CZ 4.49Å; L160-F164 HydrophobicContact CD2-CD2 4.3Å; L160-F164 HydrophobicContact CD2-CE2 4.24Å; L160-F164 WeakPolarHBondContact O-CD2 3.36Å; L160-F164 PolarHBondContact O-N 3.05Å; A161-F164 CarbonylContact O-C 3.55Å; D162-F164 VanDerWaalsContact C-N 3.3Å; D162-F164 PolarHBondContact O-N 3.36Å; F164-K166 PolarHBondContact O-N 2.94Å; F164-K166 VanDerWaalsContact O-N 3.08Å; F164-A167 HydrophobicContact CB-CB 3.61Å; F164-A167 VanDerWaalsContact O-CB 3.31Å; F164-A167 WeakPolarHBondContact O-CB 3.44Å; F164-A167 PolarHBondContact O-N 3.36Å; F164-R222 PolarHBondContact O-NH2 2.9Å
165P95.8Very high97.5Very high68 Ų6823.7 Ų23.744%0.44212%0.118SC..THydrogen-bonded Turntrans-58-28.3-172.5-27.636.2000115.2R222P165-R222 PolarHBondContact O-NE 2.97Å; P165-R222 VanDerWaalsContact O-NE 3.1Å; P165-R222 PolarHBondContact O-NH2 3.36Å
166K96.7Very high97.4Very high113 Ų11321 Ų2149%0.49111%0.105SC..THydrogen-bonded Turntrans-960.5178.3-61.3-167.7-165.9130.20114.3D61 P63 F164D61-K166 WeakPolarHBondContact O-CD 3.5Å; D61-K166 VanDerWaalsContact OD1-CE 3.26Å; D61-K166 WeakPolarHBondContact OD1-CE 3.49Å; D61-K166 IonicContact OD1-NZ 3.08Å; D61-K166 PolarHBondContact OD1-NZ 3.18Å; D61-K166 IonicContact OD2-NZ 3.9Å; D61-K166 PolarHBondContact OD2-NZ 2.99Å; P63-K166 WeakPolarHBondContact CA-O 3.38Å; F164-K166 PolarHBondContact O-N 2.94Å; F164-K166 VanDerWaalsContact O-N 3.08Å
167A98.2Very high97.1Very high0 Ų020.1 Ų20.10%010%0.101CC..  trans-73153.7177.300000112.7F64 F66 F164 F169 R222F64-A167 HydrophobicContact CB-CB 4.18Å; F64-A167 VanDerWaalsContact O-CA 3.26Å; F64-A167 WeakPolarHBondContact O-CA 3.28Å; F64-A167 WeakPolarHBondContact O-CB 3.39Å; F66-A167 HydrophobicContact CD2-CB 3.8Å; F66-A167 HydrophobicContact CE2-CB 3.77Å; F164-A167 HydrophobicContact CB-CB 3.61Å; F164-A167 VanDerWaalsContact O-CB 3.31Å; F164-A167 WeakPolarHBondContact O-CB 3.44Å; F164-A167 PolarHBondContact O-N 3.36Å; A167-F169 HydrophobicContact CB-CE2 4.16Å; A167-F169 HydrophobicContact CB-CZ 3.97Å; A167-R222 PolarHBondContact O-NE 2.83Å
168K98.7Very high97Very high25 Ų2520.2 Ų20.211%0.10910%0.102CC..EExtended strand (participates in β ladder)trans-116.1142.3169.5-70.4-172.9176.8174.70110.2F64 I65 F66 R222 F245 L246 E247F64-K168 PolarHBondContact O-N 3.17Å; I65-K168 CarbonylContact C-O 3.26Å; I65-K168 WeakPolarHBondContact CA-O 3.4Å; F66-K168 PolarHBondContact N-O 3.32Å; K168-R222 CarbonylContact C-O 3.54Å; K168-R222 WeakPolarHBondContact CA-O 3.31Å; K168-F245 HydrophobicContact CB-CE1 3.83Å; K168-F245 HydrophobicContact CB-CZ 3.83Å; K168-F245 HydrophobicContact CD-CE1 4.18Å; K168-F245 HydrophobicContact CD-CE2 4.32Å; K168-F245 HydrophobicContact CD-CZ 4.05Å; K168-F245 VanDerWaalsContact CD-O 3.29Å; K168-F245 WeakPolarHBondContact CD-O 3.3Å; K168-F245 WeakPolarHBondContact CE-O 3.31Å; K168-F245 HydrophobicContact CG-CE1 4.4Å; K168-F245 HydrophobicContact CG-CZ 4.09Å; K168-F245 PolarHBondContact NZ-O 2.86Å; K168-L246 HydrophobicContact CB-CD2 4.01Å; K168-L246 HydrophobicContact CD-CD2 4.27Å; K168-E247 IonicContact NZ-OE1 3.52Å; K168-E247 PolarHBondContact NZ-OE1 3.28Å
169F98.8Very high96.9Very high0 Ų017.9 Ų17.90%09%0.091CC..EExtended strand (participates in β ladder)trans-116.7130.6-172.7-59.5-85.8000110.4F66 F154 L157 L160 A161 A167 I218 R222 C223 L224F66-F169 HydrophobicContact CB-CD1 3.48Å; F66-F169 VanDerWaalsContact CB-CD1 3.48Å; F66-F169 HydrophobicContact CB-CE1 3.7Å; F66-F169 HydrophobicContact CB-CG 4.46Å; F66-F169 HydrophobicContact CD2-CD1 4.18Å; F66-F169 AromaticContact CD2-CE1 3.58Å; F66-F169 HydrophobicContact CD2-CE1 3.58Å; F66-F169 HydrophobicContact CD2-CZ 4.11Å; F66-F169 HydrophobicContact CE2-CE1 4.38Å; F66-F169 HydrophobicContact CG-CD1 4.09Å; F66-F169 AromaticContact CG-CE1 3.76Å; F66-F169 HydrophobicContact CG-CE1 3.76Å; F66-F169 CarbonylContact O-C 3.49Å; F66-F169 WeakPolarHBondContact O-CA 3Å; F154-F169 HydrophobicContact CZ-CB 4.46Å; F154-F169 HydrophobicContact CZ-CD1 4.27Å; L157-F169 HydrophobicContact CD1-CB 4.02Å; L157-F169 HydrophobicContact CD1-CD1 3.3Å; L157-F169 HydrophobicContact CD1-CE1 3.92Å; L157-F169 HydrophobicContact CD1-CG 3.69Å; L160-F169 HydrophobicContact CB-CE1 3.78Å; L160-F169 HydrophobicContact CB-CZ 4.18Å; A161-F169 HydrophobicContact CB-CE2 3.72Å; A161-F169 HydrophobicContact CB-CZ 3.91Å; A167-F169 HydrophobicContact CB-CE2 4.16Å; A167-F169 HydrophobicContact CB-CZ 3.97Å; F169-I218 HydrophobicContact CD2-CD1 4.47Å; F169-I218 HydrophobicContact CD2-CG2 4.2Å; F169-R222 WeakPolarHBondContact CD2-O 3.09Å; F169-R222 PolarHBondContact N-O 2.8Å; F169-C223 HydrophobicContact CB-CB 4.17Å; F169-C223 WeakPolarHBondContact O-CA 3.05Å; F169-L224 PolarHBondContact O-N 2.95Å
170I98.8Very high96.8Very high0 Ų016 Ų160%08%0.082CC..EExtended strand (participates in β ladder)trans-110.5107.9172.5-57.6173.7000107.9I65 F66 I67 G68 M78 L82 F154 M172 L224 V226 V242 F245 L246I65-I170 HydrophobicContact CG2-CD1 3.99Å; I65-I170 HydrophobicContact CG2-CG1 4.47Å; F66-I170 PolarHBondContact O-N 2.87Å; I67-I170 HydrophobicContact CG1-CB 4.39Å; I67-I170 HydrophobicContact CG1-CD1 4.39Å; G68-I170 PolarHBondContact N-O 3.06Å; M78-I170 HydrophobicContact CE-CG2 4.46Å; M78-I170 HydrophobicContact CG-CD1 4.34Å; M78-I170 HydrophobicContact CG-CG2 4.04Å; M78-I170 HydrophobicContact SD-CD1 4.37Å; L82-I170 HydrophobicContact CD1-CD1 3.61Å; F154-I170 WeakPolarHBondContact CE1-O 3.2Å; I170-M172 HydrophobicContact CG2-SD 3.89Å; I170-L224 WeakPolarHBondContact CA-O 3.42Å; I170-V226 HydrophobicContact CG2-CG2 3.88Å; I170-V242 HydrophobicContact CD1-CG1 3.71Å; I170-F245 HydrophobicContact CG1-CE1 4.34Å; I170-L246 HydrophobicContact CD1-CD1 4.06Å; I170-L246 HydrophobicContact CD1-CD2 4.36Å; I170-L246 HydrophobicContact CD1-CG 4.43Å
171H98.7Very high96.6Very high1 Ų116.5 Ų16.51%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-93.1104.8177.1176.4-159.7000109.8F154 M211 L224 S225 V226F154-H171 HydrophobicContact CE1-CB 4.32Å; H171-M211 VanDerWaalsContact CE1-CB 3.42Å; H171-M211 WeakPolarHBondContact CE1-CB 3.42Å; H171-L224 PolarHBondContact N-O 3.43Å; H171-S225 PolarHBondContact ND1-OG 3.5Å; H171-S225 CarbonylContact O-C 3.42Å; H171-S225 VanDerWaalsContact O-CA 3.27Å; H171-S225 WeakPolarHBondContact O-CA 3.49Å; H171-V226 PolarHBondContact O-N 3.1Å
172M98.6Very high96.5Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans-77.4124.2175.7-61.7-56.6-56.300111I67 G68 T73 T75 M78 I170 V226 L231I67-M172 HydrophobicContact CG2-CG 4.24Å; G68-M172 WeakPolarHBondContact O-CB 3.01Å; G68-M172 PolarHBondContact O-N 3.43Å; T73-M172 WeakPolarHBondContact CB-O 3.41Å; T73-M172 PolarHBondContact OG1-O 2.94Å; T75-M172 HydrophobicContact CG2-CB 3.87Å; T75-M172 HydrophobicContact CG2-CG 3.86Å; M78-M172 HydrophobicContact CB-CE 4.36Å; M78-M172 HydrophobicContact CB-CG 4.27Å; M78-M172 HydrophobicContact CB-SD 3.7Å; M78-M172 HydrophobicContact CE-CE 4.29Å; M78-M172 HydrophobicContact CE-SD 3.82Å; M78-M172 HydrophobicContact CG-SD 3.89Å; I170-M172 HydrophobicContact CG2-SD 3.89Å; M172-V226 HydrophobicContact CE-CB 4.23Å; M172-V226 HydrophobicContact CE-CG1 4.08Å; M172-V226 HydrophobicContact SD-CB 3.89Å; M172-V226 HydrophobicContact SD-CG1 4.26Å; M172-L231 HydrophobicContact CE-CD2 4.06Å
173I98Very high96.5Very high5 Ų512.6 Ų12.63%0.0267%0.066CC..EExtended strand (participates in β ladder)trans-116143.4178.7-59.8176.4000108.7L212 V226 R227 Y228 L314 Y316I173-L212 HydrophobicContact CD1-CD2 3.56Å; I173-L212 HydrophobicContact CD1-CG 4.48Å; I173-V226 PolarHBondContact N-O 3.07Å; I173-R227 CarbonylContact O-C 3.59Å; I173-R227 WeakPolarHBondContact O-CA 3.46Å; I173-Y228 WeakPolarHBondContact O-CB 3.41Å; I173-Y228 PolarHBondContact O-N 2.86Å; I173-L314 HydrophobicContact CD1-CD2 4.3Å; I173-L314 HydrophobicContact CG2-CD1 3.73Å; I173-L314 HydrophobicContact CG2-CD2 4.46Å; I173-Y316 HydrophobicContact CG2-CE2 4.35Å
174R97.5Very high96.4Very high14 Ų1413.3 Ų13.35%0.0537%0.07CC..  trans-144.2156174.4-170.8179.7-178.5-171-1.9109.7S72 T73 G176 W204 Y228 E229 S285S72-R174 WeakPolarHBondContact O-CD 3.38Å; S72-R174 PolarHBondContact O-NH1 2.83Å; T73-R174 HydrophobicContact CG2-CB 3.92Å; R174-G176 PolarHBondContact O-N 2.78Å; R174-G176 VanDerWaalsContact O-N 3.13Å; R174-W204 WeakPolarHBondContact O-CZ2 3.39Å; R174-Y228 HydrophobicContact CG-CD1 3.81Å; R174-Y228 HydrophobicContact CG-CG 4.1Å; R174-E229 WeakPolarHBondContact CG-OE1 3.38Å; R174-S285 PolarHBondContact NH2-O 3.38Å
175D95.7Very high96.2Very high0 Ų020.4 Ų20.40%010%0.103CC..  trans-48.1119.4167.6-171.8-32.9000110.5R177 A178 A179 E229 Y316 Y325D175-R177 PolarHBondContact O-N 3.43Å; D175-R177 VanDerWaalsContact OD1-CB 3.29Å; D175-R177 WeakPolarHBondContact OD1-CB 3.35Å; D175-R177 IonicContact OD1-CZ 2.7Å; D175-R177 PolarHBondContact OD1-N 2.71Å; D175-R177 IonicContact OD1-NE 3.5Å; D175-R177 PolarHBondContact OD1-NE 3.14Å; D175-R177 IonicContact OD1-NH2 2.71Å; D175-R177 PolarHBondContact OD1-NH2 3.23Å; D175-R177 IonicContact OD2-CZ 3.65Å; D175-R177 IonicContact OD2-NE 2.91Å; D175-R177 PolarHBondContact OD2-NE 3.33Å; D175-R177 IonicContact OD2-NH2 2.76Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å; D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 WeakPolarHBondContact O-CB 3.29Å; D175-A178 PolarHBondContact O-N 3.28Å; D175-A179 PolarHBondContact O-N 2.76Å; D175-E229 WeakPolarHBondContact CB-OE1 3.39Å; D175-E229 PolarHBondContact N-OE1 2.92Å; D175-Y316 HydrophobicContact CB-CD1 3.8Å; D175-Y316 HydrophobicContact CB-CE1 3.77Å; D175-Y316 HydrophobicContact CB-CG 4.45Å; D175-Y325 HydrophobicContact CB-CE1 4.08Å; D175-Y325 WeakPolarHBondContact OD2-CE1 3.43Å; D175-Y325 PolarHBondContact OD2-OH 3.14Å
176G94.8Very high96Very high0 Ų020.6 Ų20.60%010%0.095CC..Hα-helixtrans-59-30.8-176.800000113.6R174 A179 I180 W204R174-G176 PolarHBondContact O-N 2.78Å; R174-G176 VanDerWaalsContact O-N 3.13Å; G176-A179 PolarHBondContact O-N 3.28Å; G176-I180 WeakPolarHBondContact O-CB 3.42Å; G176-I180 VanDerWaalsContact O-CG1 3.3Å; G176-I180 WeakPolarHBondContact O-CG1 3.23Å; G176-I180 PolarHBondContact O-N 2.88Å; G176-W204 VanDerWaalsContact CA-CD2 3.46Å; G176-W204 VanDerWaalsContact N-CZ2 3.32Å
177R93.4Very high95.8Very high0 Ų018 Ų180%010%0.1CC..Hα-helixtrans-65.9-46.2176.4-59.8166.2-70.1-162.2-1.2110.1D175 A181 W289 F301 M304 T305 L311 Y316D175-R177 PolarHBondContact O-N 3.43Å; D175-R177 VanDerWaalsContact OD1-CB 3.29Å; D175-R177 WeakPolarHBondContact OD1-CB 3.35Å; D175-R177 IonicContact OD1-CZ 2.7Å; D175-R177 PolarHBondContact OD1-N 2.71Å; D175-R177 IonicContact OD1-NE 3.5Å; D175-R177 PolarHBondContact OD1-NE 3.14Å; D175-R177 IonicContact OD1-NH2 2.71Å; D175-R177 PolarHBondContact OD1-NH2 3.23Å; D175-R177 IonicContact OD2-CZ 3.65Å; D175-R177 IonicContact OD2-NE 2.91Å; D175-R177 PolarHBondContact OD2-NE 3.33Å; D175-R177 IonicContact OD2-NH2 2.76Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å; R177-A181 VanDerWaalsContact O-CB 3.25Å; R177-A181 WeakPolarHBondContact O-CB 3.48Å; R177-A181 PolarHBondContact O-N 3.43Å; R177-W289 HydrophobicContact CB-CD2 3.87Å; R177-W289 HydrophobicContact CB-CE3 3.74Å; R177-W289 HydrophobicContact CB-CH2 4.08Å; R177-W289 HydrophobicContact CB-CZ2 4.18Å; R177-W289 HydrophobicContact CB-CZ3 3.88Å; R177-W289 HydrophobicContact CG-CH2 4.39Å; R177-W289 HydrophobicContact CG-CZ3 4.31Å; R177-F301 HydrophobicContact CB-CD1 3.6Å; R177-F301 HydrophobicContact CB-CE1 3.78Å; R177-F301 HydrophobicContact CB-CG 4.38Å; R177-F301 HydrophobicContact CG-CB 4.48Å; R177-F301 HydrophobicContact CG-CD1 3.7Å; R177-F301 HydrophobicContact CG-CE1 4.33Å; R177-F301 HydrophobicContact CG-CG 4.42Å; R177-M304 HydrophobicContact CB-SD 4.48Å; R177-M304 HydrophobicContact CG-CE 4.29Å; R177-M304 HydrophobicContact CG-CG 4.36Å; R177-M304 HydrophobicContact CG-SD 3.43Å; R177-M304 WeakPolarHBondContact CG-SD 3.41Å; R177-T305 PolarHBondContact NH1-OG1 3Å; R177-L311 HydrophobicContact CG-CD1 4.32Å; R177-Y316 PolarHBondContact NH2-O 3.31Å
178A94.7Very high95.6Very high2 Ų220 Ų202%0.01711%0.11CC..Hα-helixtrans-66.3-42.1176.400000112.3D175 S182 W289D175-A178 HydrophobicContact CB-CB 4.06Å; D175-A178 WeakPolarHBondContact O-CB 3.29Å; D175-A178 PolarHBondContact O-N 3.28Å; A178-S182 VanDerWaalsContact O-CB 3.28Å; A178-S182 WeakPolarHBondContact O-CB 3.4Å; A178-S182 PolarHBondContact O-N 3.17Å; A178-W289 HydrophobicContact CB-CG 4.07Å
179A95.6Very high95.3Very high0 Ų021 Ų210%012%0.115CC..Hα-helixtrans-63.6-49.9179.600000111.4S72 D175 G176 S182 T183S72-A179 WeakPolarHBondContact CB-O 3.5Å; D175-A179 PolarHBondContact O-N 2.76Å; G176-A179 PolarHBondContact O-N 3.28Å; A179-S182 PolarHBondContact O-N 3.28Å; A179-T183 WeakPolarHBondContact O-CB 3.48Å; A179-T183 PolarHBondContact O-N 3.44Å; A179-T183 PolarHBondContact O-OG1 2.96Å
180I94.7Very high94.9Very high0 Ų026.1 Ų26.10%015%0.148CC..Hα-helixtrans-65.2-44178.8-67.3-50.4000111.7G176 S182 T183 I184 Y192 V197 A200 I201 W204G176-I180 WeakPolarHBondContact O-CB 3.42Å; G176-I180 VanDerWaalsContact O-CG1 3.3Å; G176-I180 WeakPolarHBondContact O-CG1 3.23Å; G176-I180 PolarHBondContact O-N 2.88Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 2.72Å; I180-T183 PolarHBondContact O-N 2.69Å; I180-I184 HydrophobicContact CG2-CD1 3.72Å; I180-I184 HydrophobicContact CG2-CG1 4.39Å; I180-I184 WeakPolarHBondContact O-CG1 3.47Å; I180-I184 PolarHBondContact O-N 3.37Å; I180-Y192 HydrophobicContact CD1-CD2 3.91Å; I180-Y192 HydrophobicContact CD1-CE2 3.68Å; I180-V197 HydrophobicContact CG2-CG1 4.16Å; I180-A200 HydrophobicContact CD1-CB 4Å; I180-A200 WeakPolarHBondContact CD1-O 3.45Å; I180-A200 HydrophobicContact CG1-CB 4.48Å; I180-A200 HydrophobicContact CG2-CB 3.88Å; I180-I201 HydrophobicContact CG1-CG1 4.17Å; I180-I201 HydrophobicContact CG2-CG1 4.33Å; I180-W204 HydrophobicContact CD1-CB 3.86Å; I180-W204 HydrophobicContact CG1-CB 4.11Å
181A94Very high94.7Very high10 Ų1033.4 Ų33.48%0.08318%0.18CC..Hα-helixtrans-57.6-45175.400000112.2R177 H185 W289 I296 F301R177-A181 VanDerWaalsContact O-CB 3.25Å; R177-A181 WeakPolarHBondContact O-CB 3.48Å; R177-A181 PolarHBondContact O-N 3.43Å; A181-H185 VanDerWaalsContact O-CB 3.26Å; A181-H185 WeakPolarHBondContact O-CB 3.41Å; A181-H185 PolarHBondContact O-N 2.89Å; A181-W289 HydrophobicContact CB-CB 3.6Å; A181-I296 HydrophobicContact CB-CD1 3.98Å; A181-F301 HydrophobicContact CB-CZ 4.13Å
182S94.8Very high94.4Very high18 Ų1834.2 Ų34.213%0.12618%0.183CC..Hα-helixtrans-61.7-46.1175.3166.30000112.1S72 A178 A179 I180 H185 R186S72-S182 WeakPolarHBondContact CB-OG 3.49Å; S72-S182 PolarHBondContact OG-OG 3.16Å; S72-S182 VanDerWaalsContact OG-OG 3.08Å; A178-S182 VanDerWaalsContact O-CB 3.28Å; A178-S182 WeakPolarHBondContact O-CB 3.4Å; A178-S182 PolarHBondContact O-N 3.17Å; A179-S182 PolarHBondContact O-N 3.28Å; I180-S182 VanDerWaalsContact C-N 3.32Å; I180-S182 PolarHBondContact O-N 2.72Å; S182-H185 PolarHBondContact O-N 3.3Å; S182-R186 WeakPolarHBondContact O-CB 3.32Å; S182-R186 WeakPolarHBondContact O-CD 3.42Å; S182-R186 WeakPolarHBondContact O-CG 3.49Å; S182-R186 PolarHBondContact O-N 2.71Å; S182-R186 VanDerWaalsContact O-N 3.1Å; S182-R186 PolarHBondContact OG-NH1 3.16Å
183T95.1Very high94.2Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-62.7-42.8-178.7-65.60000111.7S72 A179 I180 G187 I188 H189 Y192S72-T183 WeakPolarHBondContact CB-OG1 3.28Å; S72-T183 PolarHBondContact OG-N 3.08Å; S72-T183 PolarHBondContact OG-OG1 3.28Å; A179-T183 WeakPolarHBondContact O-CB 3.48Å; A179-T183 PolarHBondContact O-N 3.44Å; A179-T183 PolarHBondContact O-OG1 2.96Å; I180-T183 PolarHBondContact O-N 2.69Å; T183-G187 PolarHBondContact O-N 2.61Å; T183-G187 VanDerWaalsContact O-N 3.15Å; T183-I188 HydrophobicContact CG2-CB 4.07Å; T183-I188 PolarHBondContact O-N 2.98Å; T183-H189 HydrophobicContact CG2-CB 3.56Å; T183-Y192 HydrophobicContact CG2-CD2 3.5Å; T183-Y192 HydrophobicContact CG2-CE2 4.23Å; T183-Y192 HydrophobicContact CG2-CG 4.32Å
184I94.2Very high93.8Very high23 Ų2341 Ų4112%0.11822%0.221CC..Hα-helixtrans-67.4-51.4176.8-68.4171.3000110.8I180 R186 G187 T193 L194 V197 I296I180-I184 HydrophobicContact CG2-CD1 3.72Å; I180-I184 HydrophobicContact CG2-CG1 4.39Å; I180-I184 WeakPolarHBondContact O-CG1 3.47Å; I180-I184 PolarHBondContact O-N 3.37Å; I184-R186 PolarHBondContact O-N 3.01Å; I184-R186 VanDerWaalsContact O-N 3.17Å; I184-G187 PolarHBondContact O-N 3.04Å; I184-T193 WeakPolarHBondContact CD1-O 3.23Å; I184-L194 HydrophobicContact CG2-CD2 3.86Å; I184-L194 HydrophobicContact CG2-CG 4.14Å; I184-V197 HydrophobicContact CD1-CB 4.46Å; I184-V197 HydrophobicContact CD1-CG1 4.42Å; I184-V197 HydrophobicContact CD1-CG2 3.81Å; I184-I296 HydrophobicContact CD1-CD1 3.9Å
185H92.6Very high93.5Very high150 Ų15049.2 Ų49.269%0.69426%0.26SS*.Hα-helixtrans-58.2-34.1-176.9177.566.1000112.9A181 S182A181-H185 VanDerWaalsContact O-CB 3.26Å; A181-H185 WeakPolarHBondContact O-CB 3.41Å; A181-H185 PolarHBondContact O-N 2.89Å; S182-H185 PolarHBondContact O-N 3.3Å
186R92.7Very high93.4Very high72 Ų7251.5 Ų51.527%0.27227%0.272SS..THydrogen-bonded Turntrans-94.7-2.3-178.5-66.1164.960.3-168.86.6113.8S182 I184 I188 A272S182-R186 WeakPolarHBondContact O-CB 3.32Å; S182-R186 WeakPolarHBondContact O-CD 3.42Å; S182-R186 WeakPolarHBondContact O-CG 3.49Å; S182-R186 PolarHBondContact O-N 2.71Å; S182-R186 VanDerWaalsContact O-N 3.1Å; S182-R186 PolarHBondContact OG-NH1 3.16Å; I184-R186 PolarHBondContact O-N 3.01Å; I184-R186 VanDerWaalsContact O-N 3.17Å; R186-I188 VanDerWaalsContact C-N 3.26Å; R186-I188 HydrophobicContact CB-CD1 3.96Å; R186-I188 HydrophobicContact CB-CG1 3.85Å; R186-I188 VanDerWaalsContact CZ-CD1 3.43Å; R186-I188 PolarHBondContact O-N 3.32Å; R186-A272 PolarHBondContact NH2-O 3.39Å
187G92.9Very high93.2Very high58 Ų5851.8 Ų51.860%0.59827%0.274SS*.THydrogen-bonded Turntrans58.535-176.500000113.7T183 I184T183-G187 PolarHBondContact O-N 2.61Å; T183-G187 VanDerWaalsContact O-N 3.15Å; I184-G187 PolarHBondContact O-N 3.04Å
188I92.2Very high93.1Very high43 Ų4355.5 Ų55.522%0.22130%0.297CS..  trans-71.6-40.5-175.9-69.1164.4000111.3Q71 S72 T183 R186 A272Q71-I188 HydrophobicContact CB-CG2 4.43Å; Q71-I188 HydrophobicContact CG-CG2 4.46Å; S72-I188 WeakPolarHBondContact OG-CD1 3.26Å; T183-I188 HydrophobicContact CG2-CB 4.07Å; T183-I188 PolarHBondContact O-N 2.98Å; R186-I188 VanDerWaalsContact C-N 3.26Å; R186-I188 HydrophobicContact CB-CD1 3.96Å; R186-I188 HydrophobicContact CB-CG1 3.85Å; R186-I188 VanDerWaalsContact CZ-CD1 3.43Å; R186-I188 PolarHBondContact O-N 3.32Å; I188-A272 HydrophobicContact CD1-CB 4.28Å; I188-A272 HydrophobicContact CG1-CB 3.94Å
189H92.5Very high93Very high46 Ų4659.8 Ų59.821%0.21332%0.323CS..SBendtrans-105.2122.8179.3-165.6-87.3000109.2T183 F191 Y192T183-H189 HydrophobicContact CG2-CB 3.56Å; H189-F191 AromaticContact CE1-CD2 3.73Å; H189-F191 PolarHBondContact ND1-N 3.5Å; H189-F191 PolarHBondContact O-N 3.31Å; H189-F191 VanDerWaalsContact O-N 3.12Å; H189-Y192 HydrophobicContact CB-CD1 4.26Å; H189-Y192 HydrophobicContact CB-CD2 3.76Å; H189-Y192 HydrophobicContact CB-CE2 4.26Å; H189-Y192 HydrophobicContact CB-CG 3.71Å; H189-Y192 AromaticContact CE1-CD1 3.79Å; H189-Y192 AromaticContact CE1-CE1 3.58Å; H189-Y192 AromaticContact CG-CD1 3.82Å; H189-Y192 AromaticContact CG-CD2 4Å; H189-Y192 AromaticContact CG-CE1 3.97Å; H189-Y192 AromaticContact CG-CG 3.79Å; H189-Y192 AromaticContact ND1-CD1 3.25Å; H189-Y192 WeakPolarHBondContact ND1-CD1 3.49Å; H189-Y192 AromaticContact ND1-CE1 3.5Å; H189-Y192 WeakPolarHBondContact ND1-CE1 3.32Å; H189-Y192 AromaticContact ND1-CG 3.64Å; H189-Y192 PolarHBondContact ND1-N 2.71Å; H189-Y192 PolarHBondContact O-N 3.1Å; H189-Y192 VanDerWaalsContact O-N 3.08Å
190P91.5Very high92.9Very high106 Ų10659.8 Ų59.869%0.68832%0.323SS*.THydrogen-bonded Turntrans-62.1-27.5-174.124.4-34.1000112.7
191F93.7Very high92.8Very high154 Ų15460.4 Ų60.468%0.67533%0.326SS*.THydrogen-bonded Turntrans-99.82.7179.8-53.5-72.9000114.2H189 N196H189-F191 AromaticContact CE1-CD2 3.73Å; H189-F191 PolarHBondContact ND1-N 3.5Å; H189-F191 PolarHBondContact O-N 3.31Å; H189-F191 VanDerWaalsContact O-N 3.12Å; F191-N196 VanDerWaalsContact O-CG 3.26Å; F191-N196 PolarHBondContact O-ND2 3.47Å; F191-N196 PolarHBondContact O-OD1 3.43Å; F191-N196 VanDerWaalsContact O-OD1 3.11Å
192Y93.4Very high92.7Very high18 Ų1864.3 Ų64.37%0.07135%0.345CS..  trans-98.8113.4174.6-65.6-3000108.9I180 T183 H189 A200 S203I180-Y192 HydrophobicContact CD1-CD2 3.91Å; I180-Y192 HydrophobicContact CD1-CE2 3.68Å; T183-Y192 HydrophobicContact CG2-CD2 3.5Å; T183-Y192 HydrophobicContact CG2-CE2 4.23Å; T183-Y192 HydrophobicContact CG2-CG 4.32Å; H189-Y192 HydrophobicContact CB-CD1 4.26Å; H189-Y192 HydrophobicContact CB-CD2 3.76Å; H189-Y192 HydrophobicContact CB-CE2 4.26Å; H189-Y192 HydrophobicContact CB-CG 3.71Å; H189-Y192 AromaticContact CE1-CD1 3.79Å; H189-Y192 AromaticContact CE1-CE1 3.58Å; H189-Y192 AromaticContact CG-CD1 3.82Å; H189-Y192 AromaticContact CG-CD2 4Å; H189-Y192 AromaticContact CG-CE1 3.97Å; H189-Y192 AromaticContact CG-CG 3.79Å; H189-Y192 AromaticContact ND1-CD1 3.25Å; H189-Y192 WeakPolarHBondContact ND1-CD1 3.49Å; H189-Y192 AromaticContact ND1-CE1 3.5Å; H189-Y192 WeakPolarHBondContact ND1-CE1 3.32Å; H189-Y192 AromaticContact ND1-CG 3.64Å; H189-Y192 PolarHBondContact ND1-N 2.71Å; H189-Y192 PolarHBondContact O-N 3.1Å; H189-Y192 VanDerWaalsContact O-N 3.08Å; Y192-A200 HydrophobicContact CD1-CB 3.56Å; Y192-A200 HydrophobicContact CD2-CB 3.69Å; Y192-A200 HydrophobicContact CE1-CB 3.92Å; Y192-A200 HydrophobicContact CE2-CB 4.02Å; Y192-A200 HydrophobicContact CG-CB 3.49Å; Y192-A200 VanDerWaalsContact CG-CB 3.49Å; Y192-S203 WeakPolarHBondContact OH-CB 3.39Å; Y192-S203 PolarHBondContact OH-OG 3.44Å
193T93.3Very high92.7Very high49 Ų4964.9 Ų64.930%0.30135%0.349SS..  trans-134.2170.8-176.473.40000110.3I184 E195 N196 V197I184-T193 WeakPolarHBondContact CD1-O 3.23Å; T193-E195 PolarHBondContact O-N 3.43Å; T193-E195 PolarHBondContact OG1-N 3.2Å; T193-N196 PolarHBondContact N-OD1 3.34Å; T193-N196 PolarHBondContact O-N 2.92Å; T193-N196 PolarHBondContact O-OD1 3.26Å; T193-N196 PolarHBondContact OG1-OD1 3.11Å; T193-V197 VanDerWaalsContact O-CG2 3.31Å; T193-V197 WeakPolarHBondContact O-CG2 3.45Å; T193-V197 PolarHBondContact O-N 2.94Å
194L91.3Very high92.8Very high97 Ų9764.9 Ų64.951%0.50835%0.349SS..THydrogen-bonded Turntrans-64.6-19.8174.2-63.1175.8000113I184 V197 P295 I296I184-L194 HydrophobicContact CG2-CD2 3.86Å; I184-L194 HydrophobicContact CG2-CG 4.14Å; L194-V197 WeakPolarHBondContact O-CG2 3.26Å; L194-P295 HydrophobicContact CD1-CB 3.95Å; L194-P295 HydrophobicContact CD2-CB 3.74Å; L194-P295 HydrophobicContact CD2-CG 4.04Å; L194-P295 HydrophobicContact CG-CB 4.49Å; L194-I296 HydrophobicContact CD2-CG1 3.77Å
195E91.5Very high92.8Very high188 Ų18865.2 Ų65.288%0.87935%0.35SS*.THydrogen-bonded Turntrans-82.5-22179.6-62.1175.2177.600112.5T193T193-E195 PolarHBondContact O-N 3.43Å; T193-E195 PolarHBondContact OG1-N 3.2Å
196N92.2Very high93Very high48 Ų4866 Ų6626%0.25735%0.347SS..SBendtrans-129.728.8-174.568.718.5000114.1F191 T193 T198 T199 A200F191-N196 VanDerWaalsContact O-CG 3.26Å; F191-N196 PolarHBondContact O-ND2 3.47Å; F191-N196 PolarHBondContact O-OD1 3.43Å; F191-N196 VanDerWaalsContact O-OD1 3.11Å; T193-N196 PolarHBondContact N-OD1 3.34Å; T193-N196 PolarHBondContact O-N 2.92Å; T193-N196 PolarHBondContact O-OD1 3.26Å; T193-N196 PolarHBondContact OG1-OD1 3.11Å; N196-T198 PolarHBondContact O-N 3.12Å; N196-T198 VanDerWaalsContact O-N 3.14Å; N196-T199 WeakPolarHBondContact O-CA 3.45Å; N196-T199 WeakPolarHBondContact O-CB 3.37Å; N196-T199 PolarHBondContact O-N 3.25Å; N196-A200 PolarHBondContact O-N 3.09Å
197V91.7Very high93.2Very high6 Ų664.2 Ų64.24%0.03634%0.344CS..Hα-helixtrans-52.2-39-180-176.50000112.3I180 I184 T193 L194 T199 A200 I201 I296 L300I180-V197 HydrophobicContact CG2-CG1 4.16Å; I184-V197 HydrophobicContact CD1-CB 4.46Å; I184-V197 HydrophobicContact CD1-CG1 4.42Å; I184-V197 HydrophobicContact CD1-CG2 3.81Å; T193-V197 VanDerWaalsContact O-CG2 3.31Å; T193-V197 WeakPolarHBondContact O-CG2 3.45Å; T193-V197 PolarHBondContact O-N 2.94Å; L194-V197 WeakPolarHBondContact O-CG2 3.26Å; V197-T199 VanDerWaalsContact C-N 3.34Å; V197-T199 PolarHBondContact O-N 3.14Å; V197-A200 WeakPolarHBondContact O-CB 3.48Å; V197-A200 PolarHBondContact O-N 3.32Å; V197-I201 HydrophobicContact CG1-CD1 3.82Å; V197-I201 HydrophobicContact CG1-CG1 4.33Å; V197-I201 WeakPolarHBondContact O-CG1 3.25Å; V197-I201 PolarHBondContact O-N 3.22Å; V197-I296 HydrophobicContact CG1-CD1 4.07Å; V197-I296 HydrophobicContact CG1-CG1 4.48Å; V197-I296 HydrophobicContact CG1-CG2 4.02Å; V197-I296 HydrophobicContact CG2-CD1 4.38Å; V197-I296 HydrophobicContact CG2-CG1 4.19Å; V197-L300 HydrophobicContact CB-CD2 3.46Å; V197-L300 VanDerWaalsContact CB-CD2 3.46Å; V197-L300 HydrophobicContact CG1-CD2 3.34Å; V197-L300 HydrophobicContact CG1-CG 4.38Å; V197-L300 HydrophobicContact CG2-CD2 4.23Å
198T90.4Very high93.4Very high78 Ų7861.6 Ų61.648%0.47932%0.316SS..Hα-helixtrans-59.7-43.8176.4-54.20000111.9N196 I201 L202N196-T198 PolarHBondContact O-N 3.12Å; N196-T198 VanDerWaalsContact O-N 3.14Å; T198-I201 PolarHBondContact O-N 3.14Å; T198-L202 HydrophobicContact CG2-CD1 4.28Å; T198-L202 WeakPolarHBondContact O-CG 3.26Å; T198-L202 PolarHBondContact O-N 3.42Å
199T92.9Very high93.6Very high92 Ų9262.2 Ų62.256%0.56432%0.32SS*.Hα-helixtrans-64.2-42176.1-56.20000111.1N196 V197 I201 L202 S203N196-T199 WeakPolarHBondContact O-CA 3.45Å; N196-T199 WeakPolarHBondContact O-CB 3.37Å; N196-T199 PolarHBondContact O-N 3.25Å; V197-T199 VanDerWaalsContact C-N 3.34Å; V197-T199 PolarHBondContact O-N 3.14Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.38Å; T199-L202 PolarHBondContact O-N 2.03Å; T199-S203 WeakPolarHBondContact O-CB 3.49Å; T199-S203 PolarHBondContact O-N 3.05Å
200A94.1Very high93.9Very high0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-60.3-44.2176.200000111.7I180 Y192 N196 V197 S203 W204I180-A200 HydrophobicContact CD1-CB 4Å; I180-A200 WeakPolarHBondContact CD1-O 3.45Å; I180-A200 HydrophobicContact CG1-CB 4.48Å; I180-A200 HydrophobicContact CG2-CB 3.88Å; Y192-A200 HydrophobicContact CD1-CB 3.56Å; Y192-A200 HydrophobicContact CD2-CB 3.69Å; Y192-A200 HydrophobicContact CE1-CB 3.92Å; Y192-A200 HydrophobicContact CE2-CB 4.02Å; Y192-A200 HydrophobicContact CG-CB 3.49Å; Y192-A200 VanDerWaalsContact CG-CB 3.49Å; N196-A200 PolarHBondContact O-N 3.09Å; V197-A200 WeakPolarHBondContact O-CB 3.48Å; V197-A200 PolarHBondContact O-N 3.32Å; A200-S203 WeakPolarHBondContact O-CB 3.37Å; A200-S203 PolarHBondContact O-N 3.09Å; A200-W204 PolarHBondContact O-N 3.39Å
201I91.7Very high94.2Very high12 Ų1260.1 Ų60.16%0.06230%0.297CS..Hα-helixtrans-62.1-48.7176.3-73.8167.3000111.7I180 V197 T198 T199 S203 W204 E205 L300 M304I180-I201 HydrophobicContact CG1-CG1 4.17Å; I180-I201 HydrophobicContact CG2-CG1 4.33Å; V197-I201 HydrophobicContact CG1-CD1 3.82Å; V197-I201 HydrophobicContact CG1-CG1 4.33Å; V197-I201 WeakPolarHBondContact O-CG1 3.25Å; V197-I201 PolarHBondContact O-N 3.22Å; T198-I201 PolarHBondContact O-N 3.14Å; T199-I201 VanDerWaalsContact C-N 3.34Å; T199-I201 PolarHBondContact O-N 3.38Å; I201-S203 PolarHBondContact O-N 2.05Å; I201-W204 WeakPolarHBondContact O-CB 3.44Å; I201-W204 PolarHBondContact O-N 3.35Å; I201-W204 VanDerWaalsContact O-N 3.15Å; I201-E205 PolarHBondContact O-N 2.77Å; I201-L300 HydrophobicContact CD1-CG 4.45Å; I201-M304 HydrophobicContact CB-CE 4.5Å; I201-M304 HydrophobicContact CB-SD 4.2Å; I201-M304 HydrophobicContact CD1-CB 4.34Å; I201-M304 HydrophobicContact CD1-CG 4.37Å; I201-M304 HydrophobicContact CD1-SD 3.64Å; I201-M304 HydrophobicContact CG1-CE 4.37Å; I201-M304 HydrophobicContact CG1-SD 3.67Å; I201-M304 HydrophobicContact CG2-CE 3.62Å; I201-M304 HydrophobicContact CG2-CG 3.73Å; I201-M304 HydrophobicContact CG2-SD 3.49Å; I201-M304 WeakPolarHBondContact CG2-SD 3.33Å
202L93.1Very high94.4Very high93 Ų9354.3 Ų54.349%0.48727%0.272SS..Hα-helixtrans-63.4-34.2178.8-70.3173000111.8T198 T199 R206T198-L202 HydrophobicContact CG2-CD1 4.28Å; T198-L202 WeakPolarHBondContact O-CG 3.26Å; T198-L202 PolarHBondContact O-N 3.42Å; T199-L202 PolarHBondContact O-N 2.03Å; L202-R206 WeakPolarHBondContact O-CB 3.34Å; L202-R206 PolarHBondContact O-N 2.94Å
203S94.7Very high94.6Very high30 Ų3057.7 Ų57.721%0.2129%0.289CS..Hα-helixtrans-66-46172.5-170.40000111.4Y192 T199 A200 I201 E205 R206 T207Y192-S203 WeakPolarHBondContact OH-CB 3.39Å; Y192-S203 PolarHBondContact OH-OG 3.44Å; T199-S203 WeakPolarHBondContact O-CB 3.49Å; T199-S203 PolarHBondContact O-N 3.05Å; A200-S203 WeakPolarHBondContact O-CB 3.37Å; A200-S203 PolarHBondContact O-N 3.09Å; I201-S203 PolarHBondContact O-N 2.05Å; S203-E205 VanDerWaalsContact C-N 3.32Å; S203-E205 PolarHBondContact O-N 3.43Å; S203-R206 PolarHBondContact O-N 3.37Å; S203-T207 WeakPolarHBondContact O-CB 3.03Å; S203-T207 PolarHBondContact O-N 3.47Å; S203-T207 PolarHBondContact O-OG1 2.95Å; S203-T207 VanDerWaalsContact O-OG1 3.07Å
204W95.5Very high94.8Very high0 Ų055.5 Ų55.50%028%0.275CS..Hα-helixtrans-58-45174.7169.387.2000111.7H70 R174 G176 I180 A200 I201 T207 T208 M304 V310 L311H70-W204 AromaticContact CD2-CD1 3.87Å; H70-W204 AromaticContact CE1-CD1 3.96Å; H70-W204 AromaticContact CG-CD1 3.56Å; H70-W204 AromaticContact ND1-CD1 3.63Å; R174-W204 WeakPolarHBondContact O-CZ2 3.39Å; G176-W204 VanDerWaalsContact CA-CD2 3.46Å; G176-W204 VanDerWaalsContact N-CZ2 3.32Å; I180-W204 HydrophobicContact CD1-CB 3.86Å; I180-W204 HydrophobicContact CG1-CB 4.11Å; A200-W204 PolarHBondContact O-N 3.39Å; I201-W204 WeakPolarHBondContact O-CB 3.44Å; I201-W204 PolarHBondContact O-N 3.35Å; I201-W204 VanDerWaalsContact O-N 3.15Å; W204-T207 PolarHBondContact O-N 2.9Å; W204-T208 HydrophobicContact CZ2-CG2 4.29Å; W204-T208 PolarHBondContact NE1-OG1 2.85Å; W204-T208 WeakPolarHBondContact O-CB 3.37Å; W204-T208 PolarHBondContact O-N 3.22Å; W204-T208 PolarHBondContact O-OG1 3.16Å; W204-M304 HydrophobicContact CD2-CE 4.44Å; W204-M304 HydrophobicContact CE3-CE 3.54Å; W204-M304 HydrophobicContact CH2-CE 4.41Å; W204-M304 HydrophobicContact CZ3-CE 3.52Å; W204-V310 HydrophobicContact CH2-CB 4.28Å; W204-V310 HydrophobicContact CH2-CG1 3.62Å; W204-V310 HydrophobicContact CZ2-CG1 4.32Å; W204-V310 HydrophobicContact CZ3-CB 4.15Å; W204-V310 HydrophobicContact CZ3-CG1 3.95Å; W204-L311 HydrophobicContact CH2-CD2 3.6Å; W204-L311 HydrophobicContact CH2-CG 4.15Å; W204-L311 HydrophobicContact CZ2-CD2 4.49Å; W204-L311 HydrophobicContact CZ3-CD2 4.03Å; W204-L311 HydrophobicContact CZ3-CG 4.14Å
205E95.4Very high95.1Very high30 Ų3051.3 Ų51.314%0.1425%0.254CS..Hα-helixtrans-60.9-51.9179.6177151.3-179.100111I201 S203 T207 T208 L209 S308 S309 V310I201-E205 PolarHBondContact O-N 2.77Å; S203-E205 VanDerWaalsContact C-N 3.32Å; S203-E205 PolarHBondContact O-N 3.43Å; E205-T207 PolarHBondContact O-N 3.31Å; E205-T208 PolarHBondContact O-N 3.31Å; E205-L209 VanDerWaalsContact O-CB 3.3Å; E205-L209 WeakPolarHBondContact O-CB 3.27Å; E205-L209 PolarHBondContact O-N 2.65Å; E205-S308 VanDerWaalsContact CD-OG 3.28Å; E205-S308 WeakPolarHBondContact OE2-CA 3.37Å; E205-S308 VanDerWaalsContact OE2-CB 3.28Å; E205-S308 WeakPolarHBondContact OE2-CB 3.5Å; E205-S308 PolarHBondContact OE2-OG 3.1Å; E205-S309 WeakPolarHBondContact OE1-CB 3.49Å; E205-S309 PolarHBondContact OE1-N 3.35Å; E205-S309 PolarHBondContact OE1-OG 2.84Å; E205-V310 HydrophobicContact CG-CB 3.98Å; E205-V310 HydrophobicContact CG-CG2 3.61Å; E205-V310 PolarHBondContact OE1-N 2.64Å
206R96.2Very high95.4Very high167 Ų16749.9 Ų49.963%0.6325%0.247SC*.Hα-helixtrans-58.6-49.2178.1-174.5-172.7-58.6103.82.1112.3L202 S203 R210L202-R206 WeakPolarHBondContact O-CB 3.34Å; L202-R206 PolarHBondContact O-N 2.94Å; S203-R206 PolarHBondContact O-N 3.37Å; R206-R210 PolarHBondContact O-N 3.4Å; R206-R210 VanDerWaalsContact O-N 3.11Å
207T96.7Very high95.6Very high34 Ų3455 Ų5521%0.20926%0.264CS..Hα-helixtrans-68-41.6-176.4-62.80000111.6I155 S203 W204 E205 R210 M211I155-T207 HydrophobicContact CG2-CG2 4.23Å; S203-T207 WeakPolarHBondContact O-CB 3.03Å; S203-T207 PolarHBondContact O-N 3.47Å; S203-T207 PolarHBondContact O-OG1 2.95Å; S203-T207 VanDerWaalsContact O-OG1 3.07Å; W204-T207 PolarHBondContact O-N 2.9Å; E205-T207 PolarHBondContact O-N 3.31Å; T207-R210 PolarHBondContact O-N 3.44Å; T207-M211 HydrophobicContact CG2-CE 3.5Å; T207-M211 HydrophobicContact CG2-SD 4.02Å; T207-M211 VanDerWaalsContact O-CG 3.3Å; T207-M211 WeakPolarHBondContact O-CG 3.47Å; T207-M211 PolarHBondContact O-N 3.49Å
208T97.5Very high95.9Very high3 Ų355.9 Ų55.92%0.01827%0.268CS..Hα-helixtrans-68.5-40.9179.4-55.60000111.2W204 E205 M211 L212 V310 L314W204-T208 HydrophobicContact CZ2-CG2 4.29Å; W204-T208 PolarHBondContact NE1-OG1 2.85Å; W204-T208 WeakPolarHBondContact O-CB 3.37Å; W204-T208 PolarHBondContact O-N 3.22Å; W204-T208 PolarHBondContact O-OG1 3.16Å; E205-T208 PolarHBondContact O-N 3.31Å; T208-M211 PolarHBondContact O-N 3.07Å; T208-L212 HydrophobicContact CG2-CD1 4.19Å; T208-L212 VanDerWaalsContact O-CG 3.31Å; T208-L212 WeakPolarHBondContact O-CG 3.39Å; T208-L212 PolarHBondContact O-N 2.91Å; T208-V310 HydrophobicContact CG2-CG1 4.02Å; T208-L314 HydrophobicContact CG2-CD1 4.28Å
209L97Very high96.3Very high55 Ų5553.2 Ų53.229%0.28826%0.257SS..Hα-helixtrans-60-48.1175.6-176.459.3000111.2E205 M211 L212 E213 V310 L313E205-L209 VanDerWaalsContact O-CB 3.3Å; E205-L209 WeakPolarHBondContact O-CB 3.27Å; E205-L209 PolarHBondContact O-N 2.65Å; L209-M211 PolarHBondContact O-N 3.39Å; L209-L212 WeakPolarHBondContact O-CB 3.18Å; L209-L212 PolarHBondContact O-N 3.19Å; L209-L212 VanDerWaalsContact O-N 3.14Å; L209-E213 WeakPolarHBondContact O-CG 3.01Å; L209-E213 PolarHBondContact O-N 3.41Å; L209-V310 HydrophobicContact CB-CG2 3.76Å; L209-V310 HydrophobicContact CD1-CG2 4.24Å; L209-V310 HydrophobicContact CG-CG2 4.4Å; L209-L313 HydrophobicContact CD1-CD2 4.1Å
210R97.5Very high96.5Very high106 Ų10655.2 Ų55.240%0.426%0.262SS..Hα-helixtrans-58.7-46.1177.4179.762.1-168.8-169.95.5112E158 R206 T207 L212 E213 D214E158-R210 IonicContact OE2-NH2 2.72Å; E158-R210 PolarHBondContact OE2-NH2 2.88Å; R206-R210 PolarHBondContact O-N 3.4Å; R206-R210 VanDerWaalsContact O-N 3.11Å; T207-R210 PolarHBondContact O-N 3.44Å; R210-L212 VanDerWaalsContact C-N 3.28Å; R210-L212 PolarHBondContact O-N 2.9Å; R210-E213 PolarHBondContact O-N 3.5Å; R210-D214 IonicContact CZ-OD1 2.9Å; R210-D214 IonicContact NE-OD1 3Å; R210-D214 PolarHBondContact NE-OD1 3.29Å; R210-D214 IonicContact NE-OD2 3.01Å; R210-D214 PolarHBondContact NE-OD2 2.83Å; R210-D214 IonicContact NH2-OD1 3.42Å; R210-D214 PolarHBondContact NH2-OD1 3.5Å; R210-D214 WeakPolarHBondContact O-CB 3.22Å; R210-D214 PolarHBondContact O-N 3.34Å
211M98Very high96.7Very high3 Ų363.3 Ų63.32%0.01530%0.298CS..Hα-helixtrans-65.4-30.3178.2-68.7171.5176.500113F154 I155 H171 T207 T208 L209 C215F154-M211 HydrophobicContact CB-CE 3.6Å; F154-M211 HydrophobicContact CB-CG 4.47Å; F154-M211 HydrophobicContact CB-SD 4.17Å; I155-M211 HydrophobicContact CG2-CE 3.89Å; H171-M211 VanDerWaalsContact CE1-CB 3.42Å; H171-M211 WeakPolarHBondContact CE1-CB 3.42Å; T207-M211 HydrophobicContact CG2-CE 3.5Å; T207-M211 HydrophobicContact CG2-SD 4.02Å; T207-M211 VanDerWaalsContact O-CG 3.3Å; T207-M211 WeakPolarHBondContact O-CG 3.47Å; T207-M211 PolarHBondContact O-N 3.49Å; T208-M211 PolarHBondContact O-N 3.07Å; L209-M211 PolarHBondContact O-N 3.39Å; M211-C215 WeakPolarHBondContact O-CB 3.49Å; M211-C215 PolarHBondContact O-N 3.44Å
212L97.6Very high97Very high31 Ų3165.6 Ų65.616%0.16231%0.306CS..Hα-helixtrans-67.7-45.8172.5-77.3166.6000111.3I173 T208 L209 R210 C215 Q216 L313 L314I173-L212 HydrophobicContact CD1-CD2 3.56Å; I173-L212 HydrophobicContact CD1-CG 4.48Å; T208-L212 HydrophobicContact CG2-CD1 4.19Å; T208-L212 VanDerWaalsContact O-CG 3.31Å; T208-L212 WeakPolarHBondContact O-CG 3.39Å; T208-L212 PolarHBondContact O-N 2.91Å; L209-L212 WeakPolarHBondContact O-CB 3.18Å; L209-L212 PolarHBondContact O-N 3.19Å; L209-L212 VanDerWaalsContact O-N 3.14Å; R210-L212 VanDerWaalsContact C-N 3.28Å; R210-L212 PolarHBondContact O-N 2.9Å; L212-C215 PolarHBondContact O-N 2.98Å; L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 PolarHBondContact O-N 3.27Å; L212-L313 HydrophobicContact CD1-CD2 4.15Å; L212-L314 HydrophobicContact CD1-CD1 4.25Å; L212-L314 HydrophobicContact CD1-CD2 3.92Å; L212-L314 HydrophobicContact CD1-CG 4.22Å; L212-L314 HydrophobicContact CD2-CD2 4.23Å
213E97.7Very high97.3Very high90 Ų9061.5 Ų61.542%0.42129%0.285SS..Hα-helixtrans-62.3-46.7176.9-69.2169172.200111.3L209 R210 C215 Q216 Y217L209-E213 WeakPolarHBondContact O-CG 3.01Å; L209-E213 PolarHBondContact O-N 3.41Å; R210-E213 PolarHBondContact O-N 3.5Å; E213-C215 VanDerWaalsContact C-N 3.35Å; E213-C215 PolarHBondContact O-N 3.41Å; E213-Q216 WeakPolarHBondContact O-CB 3.45Å; E213-Q216 PolarHBondContact O-N 2.96Å; E213-Y217 WeakPolarHBondContact O-CB 3.4Å; E213-Y217 PolarHBondContact O-N 3.41Å
214D98.4Very high97.4Very high2 Ų262.3 Ų62.31%0.01129%0.286CS..Hα-helixtrans-59.8-45.3176.3-66.4-15.3000110.8L157 R210 Q216 Y217 I218L157-D214 HydrophobicContact CB-CB 3.99Å; L157-D214 HydrophobicContact CD2-CB 3.92Å; L157-D214 HydrophobicContact CG-CB 4.06Å; R210-D214 IonicContact CZ-OD1 2.9Å; R210-D214 IonicContact NE-OD1 3Å; R210-D214 PolarHBondContact NE-OD1 3.29Å; R210-D214 IonicContact NE-OD2 3.01Å; R210-D214 PolarHBondContact NE-OD2 2.83Å; R210-D214 IonicContact NH2-OD1 3.42Å; R210-D214 PolarHBondContact NH2-OD1 3.5Å; R210-D214 WeakPolarHBondContact O-CB 3.22Å; R210-D214 PolarHBondContact O-N 3.34Å; D214-Q216 VanDerWaalsContact C-N 3.32Å; D214-Q216 PolarHBondContact O-N 3.25Å; D214-Y217 WeakPolarHBondContact O-CB 3.42Å; D214-Y217 PolarHBondContact O-N 3.35Å; D214-I218 WeakPolarHBondContact O-CB 3.12Å; D214-I218 WeakPolarHBondContact O-CD1 3.33Å; D214-I218 WeakPolarHBondContact O-CG1 3.4Å; D214-I218 PolarHBondContact O-N 2.64Å
215C98.2Very high97.6Very high9 Ų964.6 Ų64.66%0.06130%0.303CS..Hα-helixtrans-63.7-37.9177.6-169.10000112.3L157 M211 L212 E213 G219 C223L157-C215 HydrophobicContact CD2-CB 4.25Å; M211-C215 WeakPolarHBondContact O-CB 3.49Å; M211-C215 PolarHBondContact O-N 3.44Å; L212-C215 PolarHBondContact O-N 2.98Å; E213-C215 VanDerWaalsContact C-N 3.35Å; E213-C215 PolarHBondContact O-N 3.41Å; C215-G219 PolarHBondContact O-N 2.89Å; C215-G219 VanDerWaalsContact O-N 3.11Å; C215-C223 WeakPolarHBondContact CA-SG 3.36Å; C215-C223 HydrophobicContact CB-CB 4Å; C215-C223 WeakPolarHBondContact CB-SG 3.27Å; C215-C223 WeakPolarHBondContact SG-CB 3.11Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 3.19Å
216Q97.2Very high97.7Very high159 Ų15963.3 Ų63.374%0.74330%0.297SS*.Hα-helixtrans-65.9-43.1174.5-177.9178.98.100111.6L212 E213 D214 G219L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 PolarHBondContact O-N 3.27Å; E213-Q216 WeakPolarHBondContact O-CB 3.45Å; E213-Q216 PolarHBondContact O-N 2.96Å; D214-Q216 VanDerWaalsContact C-N 3.32Å; D214-Q216 PolarHBondContact O-N 3.25Å; Q216-G219 PolarHBondContact O-N 2.85Å
217Y96.6Very high97.8Very high155 Ų15558 Ų5861%0.60828%0.276SS*.Hα-helixtrans-60.7-45.9176.6171.6-101.7000111.8E158 E213 D214 G219E158-Y217 HydrophobicContact CG-CD1 3.89Å; E158-Y217 HydrophobicContact CG-CE1 3.72Å; E158-Y217 WeakPolarHBondContact OE1-CE1 3.28Å; E213-Y217 WeakPolarHBondContact O-CB 3.4Å; E213-Y217 PolarHBondContact O-N 3.41Å; D214-Y217 WeakPolarHBondContact O-CB 3.42Å; D214-Y217 PolarHBondContact O-N 3.35Å; Y217-G219 PolarHBondContact O-N 2.81Å
218I98.2Very high97.9Very high24 Ų2457.4 Ų57.412%0.12327%0.271CS..Hα-helixtrans-62.6-33.3176.9-69.2163.6000112L157 A161 F169 D214 R222 C223L157-I218 HydrophobicContact CD1-CD1 3.93Å; L157-I218 HydrophobicContact CD2-CD1 4.24Å; L157-I218 HydrophobicContact CG-CD1 3.6Å; A161-I218 HydrophobicContact CB-CD1 3.51Å; A161-I218 HydrophobicContact CB-CG1 3.53Å; A161-I218 HydrophobicContact CB-CG2 4.33Å; F169-I218 HydrophobicContact CD2-CD1 4.47Å; F169-I218 HydrophobicContact CD2-CG2 4.2Å; D214-I218 WeakPolarHBondContact O-CB 3.12Å; D214-I218 WeakPolarHBondContact O-CD1 3.33Å; D214-I218 WeakPolarHBondContact O-CG1 3.4Å; D214-I218 PolarHBondContact O-N 2.64Å; I218-R222 HydrophobicContact CG2-CB 3.48Å; I218-R222 VanDerWaalsContact CG2-CB 3.48Å; I218-C223 HydrophobicContact CB-CB 4.19Å; I218-C223 HydrophobicContact CG2-CB 3.9Å
219G98Very high97.9Very high23 Ų2357.2 Ų57.224%0.23727%0.27CS..  trans91.1157.3173.600000114.8C215 Q216 Y217 F221 R222 C223C215-G219 PolarHBondContact O-N 2.89Å; C215-G219 VanDerWaalsContact O-N 3.11Å; Q216-G219 PolarHBondContact O-N 2.85Å; Y217-G219 PolarHBondContact O-N 2.81Å; G219-F221 PolarHBondContact O-N 3.08Å; G219-R222 PolarHBondContact O-N 3.44Å; G219-C223 PolarHBondContact O-N 2.91Å
220I97.3Very high97.9Very high133 Ų13354.8 Ų54.868%0.68226%0.257SS*.THydrogen-bonded Turntrans-61.3-20.8-169.162.8170.1000115.1R222I220-R222 VanDerWaalsContact C-N 3.34Å
221F97.8Very high98Very high170 Ų17049.8 Ų49.875%0.74624%0.238SC*.THydrogen-bonded Turntrans-80.6-19.4179.1-61-66.9000112.8G219G219-F221 PolarHBondContact O-N 3.08Å
222R98.2Very high98Very high61 Ų6150.3 Ų50.323%0.2324%0.241CC..THydrogen-bonded Turntrans-121.5-20.6-176.3-72.4-176.967.2-156.63113.3A161 F164 P165 A167 K168 F169 I218 G219 I220A161-R222 PolarHBondContact O-NH1 3.46Å; A161-R222 PolarHBondContact O-NH2 2.78Å; F164-R222 PolarHBondContact O-NH2 2.9Å; P165-R222 PolarHBondContact O-NE 2.97Å; P165-R222 VanDerWaalsContact O-NE 3.1Å; P165-R222 PolarHBondContact O-NH2 3.36Å; A167-R222 PolarHBondContact O-NE 2.83Å; K168-R222 CarbonylContact C-O 3.54Å; K168-R222 WeakPolarHBondContact CA-O 3.31Å; F169-R222 WeakPolarHBondContact CD2-O 3.09Å; F169-R222 PolarHBondContact N-O 2.8Å; I218-R222 HydrophobicContact CG2-CB 3.48Å; I218-R222 VanDerWaalsContact CG2-CB 3.48Å; G219-R222 PolarHBondContact O-N 3.44Å; I220-R222 VanDerWaalsContact C-N 3.34Å
223C98.8Very high98Very high7 Ų751.2 Ų51.25%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-128.4127.2175.3-169.40000112.5F169 C215 I218 G219F169-C223 HydrophobicContact CB-CB 4.17Å; F169-C223 WeakPolarHBondContact O-CA 3.05Å; C215-C223 WeakPolarHBondContact CA-SG 3.36Å; C215-C223 HydrophobicContact CB-CB 4Å; C215-C223 WeakPolarHBondContact CB-SG 3.27Å; C215-C223 WeakPolarHBondContact SG-CB 3.11Å; C215-C223 CovalentContact SG-SG 2.03Å; C215-C223 PolarHBondContact SG-SG 3.19Å; I218-C223 HydrophobicContact CB-CB 4.19Å; I218-C223 HydrophobicContact CG2-CB 3.9Å; G219-C223 PolarHBondContact O-N 2.91Å
224L98.6Very high98Very high46 Ų4649.3 Ų49.324%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-118.3121.4175.9177.367000110F169 I170 H171 V226 V242 F245F169-L224 PolarHBondContact O-N 2.95Å; I170-L224 WeakPolarHBondContact CA-O 3.42Å; H171-L224 PolarHBondContact N-O 3.43Å; L224-V226 HydrophobicContact CD2-CG2 3.98Å; L224-V226 HydrophobicContact CG-CG2 4Å; L224-V242 HydrophobicContact CD2-CG2 4.01Å; L224-F245 HydrophobicContact CB-CD1 3.65Å; L224-F245 HydrophobicContact CB-CD2 3.96Å; L224-F245 HydrophobicContact CB-CE1 3.63Å; L224-F245 HydrophobicContact CB-CE2 3.94Å; L224-F245 HydrophobicContact CB-CG 3.82Å; L224-F245 HydrophobicContact CB-CZ 3.77Å; L224-F245 HydrophobicContact CD2-CB 3.74Å; L224-F245 HydrophobicContact CD2-CD1 3.79Å; L224-F245 HydrophobicContact CD2-CG 3.79Å; L224-F245 HydrophobicContact CG-CD1 4.36Å; L224-F245 HydrophobicContact CG-CG 4.35Å
225S98Very high97.9Very high49 Ų4950.8 Ų50.834%0.34325%0.248SC..EExtended strand (participates in β ladder)trans-86.1127.9169.4-710000111.6H171H171-S225 PolarHBondContact ND1-OG 3.5Å; H171-S225 CarbonylContact O-C 3.42Å; H171-S225 VanDerWaalsContact O-CA 3.27Å; H171-S225 WeakPolarHBondContact O-CA 3.49Å
226V98.3Very high97.9Very high3 Ų354.6 Ų54.62%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-120.7124.1-179.2-177.90000109.6M78 I170 H171 M172 I173 L224 L231 V242M78-V226 HydrophobicContact CE-CG1 4.07Å; M78-V226 HydrophobicContact CE-CG2 4.46Å; I170-V226 HydrophobicContact CG2-CG2 3.88Å; H171-V226 PolarHBondContact O-N 3.1Å; M172-V226 HydrophobicContact CE-CB 4.23Å; M172-V226 HydrophobicContact CE-CG1 4.08Å; M172-V226 HydrophobicContact SD-CB 3.89Å; M172-V226 HydrophobicContact SD-CG1 4.26Å; I173-V226 PolarHBondContact N-O 3.07Å; L224-V226 HydrophobicContact CD2-CG2 3.98Å; L224-V226 HydrophobicContact CG-CG2 4Å; V226-L231 HydrophobicContact CG1-CB 4.46Å; V226-V242 HydrophobicContact CG2-CG2 3.7Å
227R98.1Very high98Very high54 Ų5451.9 Ų51.920%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-81.2124.4176.4-66.2173.2-179.7-97.65.6109.9I173 E229 C230 L231 L314 Y316I173-R227 CarbonylContact O-C 3.59Å; I173-R227 WeakPolarHBondContact O-CA 3.46Å; R227-E229 VanDerWaalsContact C-N 3.26Å; R227-E229 PolarHBondContact O-N 3.32Å; R227-C230 HydrophobicContact CB-CB 4.15Å; R227-C230 PolarHBondContact O-N 3.22Å; R227-L231 PolarHBondContact O-N 3.14Å; R227-L314 VanDerWaalsContact CZ-O 3.25Å; R227-L314 PolarHBondContact NH1-O 2.97Å; R227-L314 PolarHBondContact NH2-O 3.48Å; R227-Y316 PolarHBondContact NH1-OH 3.17Å
228Y98.4Very high98Very high22 Ų2245.4 Ų45.49%0.08622%0.224CC..Hα-helixtrans-53.8-45.7176.7176.9-105.5000111.5T73 L77 I173 R174 C230 L231 I232 S285 L286T73-Y228 WeakPolarHBondContact O-CB 3.42Å; L77-Y228 HydrophobicContact CD2-CE2 4.33Å; I173-Y228 WeakPolarHBondContact O-CB 3.41Å; I173-Y228 PolarHBondContact O-N 2.86Å; R174-Y228 HydrophobicContact CG-CD1 3.81Å; R174-Y228 HydrophobicContact CG-CG 4.1Å; Y228-C230 VanDerWaalsContact C-N 3.3Å; Y228-C230 PolarHBondContact O-N 3.42Å; Y228-L231 WeakPolarHBondContact O-CB 3.44Å; Y228-L231 PolarHBondContact O-N 2.95Å; Y228-I232 HydrophobicContact CD1-CG1 4.21Å; Y228-I232 HydrophobicContact CD2-CG1 4.2Å; Y228-I232 HydrophobicContact CE1-CG1 3.8Å; Y228-I232 HydrophobicContact CE2-CD1 3.79Å; Y228-I232 HydrophobicContact CE2-CG1 3.77Å; Y228-I232 HydrophobicContact CG-CG1 4.41Å; Y228-I232 VanDerWaalsContact O-CG1 3.29Å; Y228-I232 WeakPolarHBondContact O-CG1 3.32Å; Y228-I232 PolarHBondContact O-N 3.36Å; Y228-S285 PolarHBondContact OH-OG 3.26Å; Y228-L286 HydrophobicContact CD1-CD2 4.18Å; Y228-L286 HydrophobicContact CE1-CD2 3.99Å
229E98Very high98.1Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-57.7-44.1-179.4-67.571.7-167.100111.3R174 D175 R227 I232 L233 L286 Y316 Y325R174-E229 WeakPolarHBondContact CG-OE1 3.38Å; D175-E229 WeakPolarHBondContact CB-OE1 3.39Å; D175-E229 PolarHBondContact N-OE1 2.92Å; R227-E229 VanDerWaalsContact C-N 3.26Å; R227-E229 PolarHBondContact O-N 3.32Å; E229-I232 PolarHBondContact O-N 3.41Å; E229-L233 WeakPolarHBondContact O-CB 3.37Å; E229-L233 VanDerWaalsContact O-CG 3.23Å; E229-L233 WeakPolarHBondContact O-CG 3.42Å; E229-L233 PolarHBondContact O-N 2.8Å; E229-L286 HydrophobicContact CB-CD2 4.32Å; E229-L286 HydrophobicContact CG-CD2 4.12Å; E229-Y316 HydrophobicContact CG-CE1 4.23Å; E229-Y316 PolarHBondContact OE2-OH 2.72Å; E229-Y325 HydrophobicContact CB-CD1 4.15Å; E229-Y325 HydrophobicContact CB-CG 4.08Å; E229-Y325 HydrophobicContact CG-CD1 3.52Å; E229-Y325 HydrophobicContact CG-CD2 4.09Å; E229-Y325 HydrophobicContact CG-CE1 3.71Å; E229-Y325 HydrophobicContact CG-CE2 4.29Å; E229-Y325 HydrophobicContact CG-CG 3.7Å
230C97.9Very high98.1Very high4 Ų447.5 Ų47.53%0.02723%0.226CC..Hα-helixtrans-70.7-39.2177.8-580000112.1R227 Y228 I232 L233 N234 E238 C329R227-C230 HydrophobicContact CB-CB 4.15Å; R227-C230 PolarHBondContact O-N 3.22Å; Y228-C230 VanDerWaalsContact C-N 3.3Å; Y228-C230 PolarHBondContact O-N 3.42Å; C230-I232 PolarHBondContact O-N 2.97Å; C230-L233 PolarHBondContact O-N 3.22Å; C230-N234 PolarHBondContact O-N 3Å; C230-E238 HydrophobicContact CB-CG 3.96Å; C230-E238 WeakPolarHBondContact O-CG 3.47Å; C230-C329 WeakPolarHBondContact CA-SG 3.41Å; C230-C329 HydrophobicContact CB-CB 3.8Å; C230-C329 WeakPolarHBondContact CB-SG 3.28Å; C230-C329 WeakPolarHBondContact SG-CA 3.34Å; C230-C329 WeakPolarHBondContact SG-CB 3.42Å; C230-C329 CovalentContact SG-SG 2.05Å; C230-C329 PolarHBondContact SG-SG 3.03Å
231L98.2Very high98.1Very high0 Ų045.7 Ų45.70%021%0.213CC..Hα-helixtrans-60.4-36.4174.6177.363.4000111.9L77 M78 L81 M172 V226 R227 Y228 P235 E238 I239L77-L231 HydrophobicContact CD2-CD2 3.98Å; L77-L231 HydrophobicContact CD2-CG 4.46Å; L77-L231 HydrophobicContact CG-CD2 4.33Å; M78-L231 HydrophobicContact CE-CD2 3.95Å; L81-L231 HydrophobicContact CD1-CD1 4.19Å; L81-L231 HydrophobicContact CD1-CD2 4.29Å; M172-L231 HydrophobicContact CE-CD2 4.06Å; V226-L231 HydrophobicContact CG1-CB 4.46Å; R227-L231 PolarHBondContact O-N 3.14Å; Y228-L231 WeakPolarHBondContact O-CB 3.44Å; Y228-L231 PolarHBondContact O-N 2.95Å; L231-P235 WeakPolarHBondContact O-CA 3.11Å; L231-P235 WeakPolarHBondContact O-CB 3.21Å; L231-E238 HydrophobicContact CB-CB 4.43Å; L231-E238 HydrophobicContact CD1-CB 4.04Å; L231-I239 HydrophobicContact CD1-CG1 3.82Å
232I98Very high98.2Very high15 Ų1537.7 Ų37.78%0.07718%0.178CC..Hα-helixtrans-76.5-39.7178.2-64-55.8000112L77 Y228 E229 C230 I281 H282 N283 L286L77-I232 HydrophobicContact CD2-CD1 3.64Å; Y228-I232 HydrophobicContact CD1-CG1 4.21Å; Y228-I232 HydrophobicContact CD2-CG1 4.2Å; Y228-I232 HydrophobicContact CE1-CG1 3.8Å; Y228-I232 HydrophobicContact CE2-CD1 3.79Å; Y228-I232 HydrophobicContact CE2-CG1 3.77Å; Y228-I232 HydrophobicContact CG-CG1 4.41Å; Y228-I232 VanDerWaalsContact O-CG1 3.29Å; Y228-I232 WeakPolarHBondContact O-CG1 3.32Å; Y228-I232 PolarHBondContact O-N 3.36Å; E229-I232 PolarHBondContact O-N 3.41Å; C230-I232 PolarHBondContact O-N 2.97Å; I232-I281 HydrophobicContact CD1-CG2 3.76Å; I232-H282 VanDerWaalsContact CG2-O 3.26Å; I232-H282 WeakPolarHBondContact CG2-O 3.25Å; I232-N283 HydrophobicContact CG2-CB 4.37Å; I232-L286 HydrophobicContact CB-CD1 4.46Å; I232-L286 HydrophobicContact CB-CD2 4.04Å; I232-L286 HydrophobicContact CG1-CD2 4.24Å; I232-L286 HydrophobicContact CG2-CD1 3.9Å; I232-L286 HydrophobicContact CG2-CD2 4.09Å; I232-L286 HydrophobicContact CG2-CG 4.05Å
233L97.6Very high98.2Very high50 Ų5034.9 Ų34.926%0.26217%0.167SC..Hα-helixtrans-77.9-36.8-176.9-69.5170000112.9E229 C230 L286E229-L233 WeakPolarHBondContact O-CB 3.37Å; E229-L233 VanDerWaalsContact O-CG 3.23Å; E229-L233 WeakPolarHBondContact O-CG 3.42Å; E229-L233 PolarHBondContact O-N 2.8Å; C230-L233 PolarHBondContact O-N 3.22Å; L233-L286 HydrophobicContact CD2-CD1 3.79Å; L233-L286 HydrophobicContact CG-CD1 3.97Å
234N97.4Very high98.2Very high49 Ų4940.2 Ų40.226%0.26220%0.196SC..SBendtrans-131.361-174.7-54.1-63.3000110.7C230 R236 E237 E238C230-N234 PolarHBondContact O-N 3Å; N234-R236 VanDerWaalsContact C-N 3.32Å; N234-R236 PolarHBondContact O-N 2.9Å; N234-E237 HydrophobicContact CB-CB 4.21Å; N234-E237 WeakPolarHBondContact CB-OE2 3.46Å; N234-E237 PolarHBondContact O-N 3.37Å; N234-E238 WeakPolarHBondContact O-CG 3.35Å; N234-E238 PolarHBondContact O-N 3.42Å
235P97.8Very high98.2Very high33 Ų3339.5 Ų39.521%0.21419%0.191CC..Hα-helixtrans-61.5-37-16923.3-34.2000113.1L231 I239 L255 I281L231-P235 WeakPolarHBondContact O-CA 3.11Å; L231-P235 WeakPolarHBondContact O-CB 3.21Å; P235-I239 HydrophobicContact CB-CD1 4.46Å; P235-I239 WeakPolarHBondContact O-CB 3.4Å; P235-I239 VanDerWaalsContact O-CD1 3.28Å; P235-I239 WeakPolarHBondContact O-CD1 3.34Å; P235-I239 WeakPolarHBondContact O-CG1 3.26Å; P235-I239 PolarHBondContact O-N 2.87Å; P235-L255 HydrophobicContact CB-CD2 3.92Å; P235-L255 HydrophobicContact CG-CD2 4.24Å; P235-I281 HydrophobicContact CB-CD1 3.72Å
236R98.2Very high98.2Very high90 Ų9037.1 Ų37.134%0.3417%0.174SC..Hα-helixtrans-67.2-45.5-179-173.4173.5-173.282.8-0.2111N234 K240 W250 D252 L255N234-R236 VanDerWaalsContact C-N 3.32Å; N234-R236 PolarHBondContact O-N 2.9Å; R236-K240 WeakPolarHBondContact O-CB 3.41Å; R236-K240 VanDerWaalsContact O-CG 3.24Å; R236-K240 WeakPolarHBondContact O-CG 3.5Å; R236-K240 PolarHBondContact O-N 2.93Å; R236-K240 VanDerWaalsContact O-N 3.09Å; R236-W250 HydrophobicContact CG-CH2 4.05Å; R236-W250 HydrophobicContact CG-CZ2 4.31Å; R236-W250 VanDerWaalsContact NH1-CZ2 3.32Å; R236-D252 IonicContact CZ-OD1 3.98Å; R236-D252 IonicContact NH1-OD1 2.94Å; R236-D252 PolarHBondContact NH1-OD1 3.3Å; R236-D252 VanDerWaalsContact NH1-OD1 3.08Å; R236-D252 IonicContact NH2-OD1 3.7Å; R236-L255 HydrophobicContact CB-CD1 4.27Å; R236-L255 HydrophobicContact CB-CD2 4.3Å; R236-L255 HydrophobicContact CG-CD1 4.32Å
237E97.7Very high98.2Very high102 Ų10244.2 Ų44.248%0.47721%0.207SC..Hα-helixtrans-65.2-48.5-179.5-65.271.6-158.900111N234 K240 K241N234-E237 HydrophobicContact CB-CB 4.21Å; N234-E237 WeakPolarHBondContact CB-OE2 3.46Å; N234-E237 PolarHBondContact O-N 3.37Å; E237-K240 WeakPolarHBondContact O-CB 3.46Å; E237-K240 PolarHBondContact O-N 3.06Å; E237-K241 WeakPolarHBondContact O-CG 3.39Å; E237-K241 PolarHBondContact O-N 3.48Å
238E98.3Very high98.2Very high18 Ų1842.3 Ų42.38%0.08420%0.201CC..Hα-helixtrans-70.8-38.7-177.6-65.8-56128.100112.6C230 L231 N234 K240 K241 V242C230-E238 HydrophobicContact CB-CG 3.96Å; C230-E238 WeakPolarHBondContact O-CG 3.47Å; L231-E238 HydrophobicContact CB-CB 4.43Å; L231-E238 HydrophobicContact CD1-CB 4.04Å; N234-E238 WeakPolarHBondContact O-CG 3.35Å; N234-E238 PolarHBondContact O-N 3.42Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.41Å; E238-K241 PolarHBondContact O-N 3.45Å; E238-K241 IonicContact OE1-NZ 3.07Å; E238-K241 PolarHBondContact OE1-NZ 2.99Å; E238-K241 IonicContact OE2-NZ 3.83Å; E238-V242 WeakPolarHBondContact O-CG2 3.41Å; E238-V242 PolarHBondContact O-N 2.68Å
239I98.6Very high98.2Very high6 Ų644.8 Ų44.83%0.03122%0.22CC..Hα-helixtrans-64-40.2174-66.2167.6000110L81 L231 P235 V242 L243 W250 L254 L255L81-I239 HydrophobicContact CD1-CD1 3.96Å; L81-I239 HydrophobicContact CD1-CG1 4.12Å; L81-I239 HydrophobicContact CD2-CD1 4.01Å; L231-I239 HydrophobicContact CD1-CG1 3.82Å; P235-I239 HydrophobicContact CB-CD1 4.46Å; P235-I239 WeakPolarHBondContact O-CB 3.4Å; P235-I239 VanDerWaalsContact O-CD1 3.28Å; P235-I239 WeakPolarHBondContact O-CD1 3.34Å; P235-I239 WeakPolarHBondContact O-CG1 3.26Å; P235-I239 PolarHBondContact O-N 2.87Å; I239-V242 PolarHBondContact O-N 2.72Å; I239-L243 HydrophobicContact CG2-CD1 4.05Å; I239-L243 HydrophobicContact CG2-CG 4.21Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 2.61Å; I239-W250 HydrophobicContact CB-CH2 4.4Å; I239-W250 HydrophobicContact CB-CZ3 3.92Å; I239-W250 HydrophobicContact CG2-CE3 4.42Å; I239-W250 HydrophobicContact CG2-CH2 4.19Å; I239-W250 HydrophobicContact CG2-CZ3 3.56Å; I239-L254 HydrophobicContact CD1-CB 4.44Å; I239-L254 HydrophobicContact CG2-CB 4.26Å; I239-L254 HydrophobicContact CG2-CD1 3.65Å; I239-L255 HydrophobicContact CD1-CD2 4.09Å
240K98.5Very high98.2Very high85 Ų8548.2 Ų48.237%0.3723%0.233SC..Hα-helixtrans-58.9-48174.3-79.8177175.4-171.50112.1R236 E237 E238 V242 L243 D244 W250R236-K240 WeakPolarHBondContact O-CB 3.41Å; R236-K240 VanDerWaalsContact O-CG 3.24Å; R236-K240 WeakPolarHBondContact O-CG 3.5Å; R236-K240 PolarHBondContact O-N 2.93Å; R236-K240 VanDerWaalsContact O-N 3.09Å; E237-K240 WeakPolarHBondContact O-CB 3.46Å; E237-K240 PolarHBondContact O-N 3.06Å; E238-K240 VanDerWaalsContact C-N 3.31Å; E238-K240 PolarHBondContact O-N 3.41Å; K240-V242 PolarHBondContact O-N 2.71Å; K240-L243 PolarHBondContact O-N 2.83Å; K240-L243 VanDerWaalsContact O-N 3.14Å; K240-D244 WeakPolarHBondContact O-CB 3.46Å; K240-D244 VanDerWaalsContact O-CG 3.24Å; K240-D244 PolarHBondContact O-N 3.32Å; K240-W250 HydrophobicContact CG-CD2 4.39Å; K240-W250 HydrophobicContact CG-CE3 3.52Å; K240-W250 HydrophobicContact CG-CZ3 3.67Å
241K98.3Very high98.2Very high95 Ų9549.5 Ų49.541%0.41324%0.239SC..Hα-helixtrans-54.7-42.4175.6-69.9174-176.3172.90111.8E237 E238 F245E237-K241 WeakPolarHBondContact O-CG 3.39Å; E237-K241 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 3.45Å; E238-K241 IonicContact OE1-NZ 3.07Å; E238-K241 PolarHBondContact OE1-NZ 2.99Å; E238-K241 IonicContact OE2-NZ 3.83Å; K241-F245 WeakPolarHBondContact O-CB 3.36Å; K241-F245 PolarHBondContact O-N 2.93Å
242V98.8Very high98.2Very high2 Ų254 Ų541%0.01226%0.263CS..Hα-helixtrans-65.7-46.4177.1171.40000111.7M78 L82 I170 L224 V226 E238 I239 K240 F245 L246M78-V242 HydrophobicContact CE-CG1 4.49Å; M78-V242 HydrophobicContact CE-CG2 3.81Å; M78-V242 HydrophobicContact SD-CG1 4.03Å; M78-V242 HydrophobicContact SD-CG2 4.42Å; L82-V242 HydrophobicContact CD2-CG1 4.33Å; I170-V242 HydrophobicContact CD1-CG1 3.71Å; L224-V242 HydrophobicContact CD2-CG2 4.01Å; V226-V242 HydrophobicContact CG2-CG2 3.7Å; E238-V242 WeakPolarHBondContact O-CG2 3.41Å; E238-V242 PolarHBondContact O-N 2.68Å; I239-V242 PolarHBondContact O-N 2.72Å; K240-V242 PolarHBondContact O-N 2.71Å; V242-F245 PolarHBondContact O-N 3.47Å; V242-L246 HydrophobicContact CG1-CD1 3.92Å; V242-L246 HydrophobicContact CG1-CG 4.37Å; V242-L246 WeakPolarHBondContact O-CB 3.46Å; V242-L246 VanDerWaalsContact O-CG 3.22Å; V242-L246 WeakPolarHBondContact O-CG 2.98Å; V242-L246 PolarHBondContact O-N 3.13Å
243L98.8Very high98.2Very high2 Ų257.6 Ų57.61%0.0128%0.278CS..Hα-helixtrans-66.3-40.1179.5-64.9177.5000112.1L82 I239 K240 L246 E247 L248 W250 L254L82-L243 HydrophobicContact CD2-CD2 4.09Å; I239-L243 HydrophobicContact CG2-CD1 4.05Å; I239-L243 HydrophobicContact CG2-CG 4.21Å; I239-L243 WeakPolarHBondContact O-CG 3.36Å; I239-L243 PolarHBondContact O-N 2.61Å; K240-L243 PolarHBondContact O-N 2.83Å; K240-L243 VanDerWaalsContact O-N 3.14Å; L243-L246 CarbonylContact O-C 3.53Å; L243-L246 PolarHBondContact O-N 3.05Å; L243-L246 VanDerWaalsContact O-N 3.13Å; L243-E247 PolarHBondContact O-N 3.33Å; L243-L248 HydrophobicContact CB-CB 4.31Å; L243-L248 HydrophobicContact CD2-CB 3.91Å; L243-L248 HydrophobicContact CD2-CD1 4.12Å; L243-L248 PolarHBondContact O-N 2.72Å; L243-W250 HydrophobicContact CD1-CE3 3.76Å; L243-W250 HydrophobicContact CD1-CZ3 4.32Å; L243-L254 HydrophobicContact CD1-CD1 3.59Å; L243-L254 HydrophobicContact CD2-CD1 4.31Å; L243-L254 HydrophobicContact CG-CD1 4.39Å
244D98.6Very high98.2Very high120 Ų12055.2 Ų55.264%0.64227%0.266SS*.Hα-helixtrans-60.8-47.4174.9-69.5-19.8000110.4K240 L246 E247K240-D244 WeakPolarHBondContact O-CB 3.46Å; K240-D244 VanDerWaalsContact O-CG 3.24Å; K240-D244 PolarHBondContact O-N 3.32Å; D244-L246 VanDerWaalsContact C-N 3.27Å; D244-L246 PolarHBondContact O-N 2.91Å; D244-E247 PolarHBondContact O-N 2.93Å; D244-E247 VanDerWaalsContact O-N 3.1Å
245F98.7Very high98.2Very high30 Ų3055.3 Ų55.313%0.13227%0.266CS..Hα-helixtrans-58.2-39173.1166.5-106000112.3K168 I170 L224 K241 V242 E247K168-F245 HydrophobicContact CB-CE1 3.83Å; K168-F245 HydrophobicContact CB-CZ 3.83Å; K168-F245 HydrophobicContact CD-CE1 4.18Å; K168-F245 HydrophobicContact CD-CE2 4.32Å; K168-F245 HydrophobicContact CD-CZ 4.05Å; K168-F245 VanDerWaalsContact CD-O 3.29Å; K168-F245 WeakPolarHBondContact CD-O 3.3Å; K168-F245 WeakPolarHBondContact CE-O 3.31Å; K168-F245 HydrophobicContact CG-CE1 4.4Å; K168-F245 HydrophobicContact CG-CZ 4.09Å; K168-F245 PolarHBondContact NZ-O 2.86Å; I170-F245 HydrophobicContact CG1-CE1 4.34Å; L224-F245 HydrophobicContact CB-CD1 3.65Å; L224-F245 HydrophobicContact CB-CD2 3.96Å; L224-F245 HydrophobicContact CB-CE1 3.63Å; L224-F245 HydrophobicContact CB-CE2 3.94Å; L224-F245 HydrophobicContact CB-CG 3.82Å; L224-F245 HydrophobicContact CB-CZ 3.77Å; L224-F245 HydrophobicContact CD2-CB 3.74Å; L224-F245 HydrophobicContact CD2-CD1 3.79Å; L224-F245 HydrophobicContact CD2-CG 3.79Å; L224-F245 HydrophobicContact CG-CD1 4.36Å; L224-F245 HydrophobicContact CG-CG 4.35Å; K241-F245 WeakPolarHBondContact O-CB 3.36Å; K241-F245 PolarHBondContact O-N 2.93Å; V242-F245 PolarHBondContact O-N 3.47Å; F245-E247 VanDerWaalsContact C-N 3.29Å; F245-E247 PolarHBondContact O-N 2.86Å
246L98.6Very high98.2Very high0 Ų057.9 Ų57.90%028%0.275CS..Hα-helixtrans-80.6-6.7178.9-69179.5000114.3I65 L82 R145 K168 I170 V242 L243 D244 L248I65-L246 HydrophobicContact CB-CD2 4.48Å; I65-L246 HydrophobicContact CD1-CD1 3.9Å; I65-L246 HydrophobicContact CD1-CD2 4.11Å; I65-L246 HydrophobicContact CG1-CD2 3.89Å; I65-L246 HydrophobicContact CG2-CD1 4.3Å; I65-L246 HydrophobicContact CG2-CD2 3.88Å; L82-L246 HydrophobicContact CD1-CD1 3.95Å; L82-L246 HydrophobicContact CD2-CD1 3.67Å; R145-L246 PolarHBondContact NH1-O 3.18Å; K168-L246 HydrophobicContact CB-CD2 4.01Å; K168-L246 HydrophobicContact CD-CD2 4.27Å; I170-L246 HydrophobicContact CD1-CD1 4.06Å; I170-L246 HydrophobicContact CD1-CD2 4.36Å; I170-L246 HydrophobicContact CD1-CG 4.43Å; V242-L246 HydrophobicContact CG1-CD1 3.92Å; V242-L246 HydrophobicContact CG1-CG 4.37Å; V242-L246 WeakPolarHBondContact O-CB 3.46Å; V242-L246 VanDerWaalsContact O-CG 3.22Å; V242-L246 WeakPolarHBondContact O-CG 2.98Å; V242-L246 PolarHBondContact O-N 3.13Å; L243-L246 CarbonylContact O-C 3.53Å; L243-L246 PolarHBondContact O-N 3.05Å; L243-L246 VanDerWaalsContact O-N 3.13Å; D244-L246 VanDerWaalsContact C-N 3.27Å; D244-L246 PolarHBondContact O-N 2.91Å; L246-L248 HydrophobicContact CB-CD1 3.82Å; L246-L248 HydrophobicContact CB-CG 4.01Å; L246-L248 HydrophobicContact CD1-CD1 3.9Å
247E98.2Very high98.2Very high152 Ų15253.6 Ų53.671%0.7126%0.259SS*.THydrogen-bonded Turntrans57.748.1-171.6-59.5163.7-135.800112.2K168 L243 D244 F245K168-E247 IonicContact NZ-OE1 3.52Å; K168-E247 PolarHBondContact NZ-OE1 3.28Å; L243-E247 PolarHBondContact O-N 3.33Å; D244-E247 PolarHBondContact O-N 2.93Å; D244-E247 VanDerWaalsContact O-N 3.1Å; F245-E247 VanDerWaalsContact C-N 3.29Å; F245-E247 PolarHBondContact O-N 2.86Å
248L98.4Very high98.1Very high13 Ų1350.6 Ų50.67%0.06825%0.245CC..  trans-117.1144.7179.1-70.8172.9000111.1I65 L87 V88 R145 L243 L246I65-L248 HydrophobicContact CD1-CD1 4.44Å; L87-L248 HydrophobicContact CB-CD2 4.18Å; L87-L248 HydrophobicContact CD1-CD2 4.22Å; V88-L248 HydrophobicContact CG2-CD1 3.42Å; V88-L248 VanDerWaalsContact CG2-CD1 3.42Å; V88-L248 HydrophobicContact CG2-CD2 4.29Å; R145-L248 HydrophobicContact CG-CD2 4.13Å; L243-L248 HydrophobicContact CB-CB 4.31Å; L243-L248 HydrophobicContact CD2-CB 3.91Å; L243-L248 HydrophobicContact CD2-CD1 4.12Å; L243-L248 PolarHBondContact O-N 2.72Å; L246-L248 HydrophobicContact CB-CD1 3.82Å; L246-L248 HydrophobicContact CB-CG 4.01Å; L246-L248 HydrophobicContact CD1-CD1 3.9Å
249P98.1Very high98.1Very high75 Ų7555.4 Ų55.449%0.48727%0.266SS..  trans-68.6158.9174.331-35.4000111.2H85 L87H85-P249 PolarHBondContact NE2-O 2.86Å; L87-P249 HydrophobicContact CD1-CG 4Å
250W98.4Very high98Very high72 Ų7257.9 Ų57.927%0.27328%0.277SS..  trans-69.8142171.1177.4-99.4000112R236 I239 K240 L243 D252 L255R236-W250 HydrophobicContact CG-CH2 4.05Å; R236-W250 HydrophobicContact CG-CZ2 4.31Å; R236-W250 VanDerWaalsContact NH1-CZ2 3.32Å; I239-W250 HydrophobicContact CB-CH2 4.4Å; I239-W250 HydrophobicContact CB-CZ3 3.92Å; I239-W250 HydrophobicContact CG2-CE3 4.42Å; I239-W250 HydrophobicContact CG2-CH2 4.19Å; I239-W250 HydrophobicContact CG2-CZ3 3.56Å; K240-W250 HydrophobicContact CG-CD2 4.39Å; K240-W250 HydrophobicContact CG-CE3 3.52Å; K240-W250 HydrophobicContact CG-CZ3 3.67Å; L243-W250 HydrophobicContact CD1-CE3 3.76Å; L243-W250 HydrophobicContact CD1-CZ3 4.32Å; W250-D252 VanDerWaalsContact NE1-CG 3.28Å; W250-D252 PolarHBondContact NE1-OD1 3.19Å; W250-L255 HydrophobicContact CH2-CD1 4.12Å; W250-L255 HydrophobicContact CH2-CD2 4.37Å; W250-L255 HydrophobicContact CH2-CG 3.99Å; W250-L255 HydrophobicContact CZ2-CD1 3.85Å; W250-L255 HydrophobicContact CZ2-CG 4.03Å
251D98.1Very high97.9Very high31 Ų3153.9 Ų53.917%0.16626%0.259CS..  trans-132.1124.4165.9-169.4-35.8000109.2P86 K253 L254P86-D251 WeakPolarHBondContact CD-OD2 3.18Å; P86-D251 WeakPolarHBondContact CG-OD2 3.19Å; D251-K253 PolarHBondContact O-N 3.07Å; D251-K253 VanDerWaalsContact OD1-CB 3.28Å; D251-K253 WeakPolarHBondContact OD1-CB 3.47Å; D251-K253 WeakPolarHBondContact OD1-CG 3.17Å; D251-K253 PolarHBondContact OD1-N 3.08Å; D251-L254 HydrophobicContact CB-CG 4.36Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 WeakPolarHBondContact O-CD1 3.49Å; D251-L254 WeakPolarHBondContact O-CG 3.41Å; D251-L254 PolarHBondContact O-N 3.22Å
252D97.4Very high97.8Very high94 Ų9457.1 Ų57.150%0.50327%0.27SS..G310 helixtrans-65.2-20.7-178.4-75.3-56.8000113R236 W250 L254 L255R236-D252 IonicContact CZ-OD1 3.98Å; R236-D252 IonicContact NH1-OD1 2.94Å; R236-D252 PolarHBondContact NH1-OD1 3.3Å; R236-D252 VanDerWaalsContact NH1-OD1 3.08Å; R236-D252 IonicContact NH2-OD1 3.7Å; W250-D252 VanDerWaalsContact NE1-CG 3.28Å; W250-D252 PolarHBondContact NE1-OD1 3.19Å; D252-L254 PolarHBondContact O-N 3.28Å; D252-L254 VanDerWaalsContact O-N 3.09Å; D252-L255 PolarHBondContact O-N 3.06Å
253K97.4Very high97.5Very high90 Ų9064.3 Ų64.339%0.39131%0.308SS..G310 helixtrans-59.4-23.1176.9-66.7175.9-173.8162.90113.2I84 D251 L255 E256 H257 F260I84-K253 HydrophobicContact CG2-CB 3.85Å; D251-K253 PolarHBondContact O-N 3.07Å; D251-K253 VanDerWaalsContact OD1-CB 3.28Å; D251-K253 WeakPolarHBondContact OD1-CB 3.47Å; D251-K253 WeakPolarHBondContact OD1-CG 3.17Å; D251-K253 PolarHBondContact OD1-N 3.08Å; K253-L255 VanDerWaalsContact C-N 3.26Å; K253-L255 PolarHBondContact O-N 3.09Å; K253-E256 CarbonylContact O-C 3.43Å; K253-E256 VanDerWaalsContact O-C 3.26Å; K253-E256 PolarHBondContact O-N 3.03Å; K253-E256 VanDerWaalsContact O-N 3.11Å; K253-H257 PolarHBondContact O-N 3.13Å; K253-H257 VanDerWaalsContact O-N 3.09Å; K253-F260 HydrophobicContact CB-CD2 3.84Å; K253-F260 HydrophobicContact CB-CE2 3.68Å; K253-F260 HydrophobicContact CB-CZ 4.23Å; K253-F260 HydrophobicContact CD-CD1 4.31Å; K253-F260 HydrophobicContact CD-CE1 4.11Å; K253-F260 HydrophobicContact CD-CE2 4.33Å; K253-F260 HydrophobicContact CD-CZ 4.13Å; K253-F260 HydrophobicContact CG-CD2 4.14Å; K253-F260 HydrophobicContact CG-CE1 4.16Å; K253-F260 HydrophobicContact CG-CE2 3.65Å; K253-F260 HydrophobicContact CG-CZ 3.66Å
254L98Very high97.2Very high1 Ų167.9 Ų67.91%0.00533%0.33CS..G310 helixtrans-62.4-33.9-179.6-57.1176.5000112L81 I84 H85 I239 L243 D251 D252 E256L81-L254 WeakPolarHBondContact CD2-O 3.3Å; L81-L254 WeakPolarHBondContact O-CD2 3.33Å; I84-L254 HydrophobicContact CB-CD2 4.21Å; I84-L254 HydrophobicContact CG2-CD2 4.26Å; H85-L254 HydrophobicContact CB-CD2 4.01Å; I239-L254 HydrophobicContact CD1-CB 4.44Å; I239-L254 HydrophobicContact CG2-CB 4.26Å; I239-L254 HydrophobicContact CG2-CD1 3.65Å; L243-L254 HydrophobicContact CD1-CD1 3.59Å; L243-L254 HydrophobicContact CD2-CD1 4.31Å; L243-L254 HydrophobicContact CG-CD1 4.39Å; D251-L254 HydrophobicContact CB-CG 4.36Å; D251-L254 WeakPolarHBondContact O-CB 3.38Å; D251-L254 WeakPolarHBondContact O-CD1 3.49Å; D251-L254 WeakPolarHBondContact O-CG 3.41Å; D251-L254 PolarHBondContact O-N 3.22Å; D252-L254 PolarHBondContact O-N 3.28Å; D252-L254 VanDerWaalsContact O-N 3.09Å; L254-E256 VanDerWaalsContact C-N 3.25Å; L254-E256 PolarHBondContact O-N 3.44Å
255L98Very high97Very high51 Ų5162.8 Ų62.827%0.26730%0.304SS..G310 helixtrans-73.8-19.2177.7-68.4175.3000113.1P235 R236 I239 W250 D252 K253P235-L255 HydrophobicContact CB-CD2 3.92Å; P235-L255 HydrophobicContact CG-CD2 4.24Å; R236-L255 HydrophobicContact CB-CD1 4.27Å; R236-L255 HydrophobicContact CB-CD2 4.3Å; R236-L255 HydrophobicContact CG-CD1 4.32Å; I239-L255 HydrophobicContact CD1-CD2 4.09Å; W250-L255 HydrophobicContact CH2-CD1 4.12Å; W250-L255 HydrophobicContact CH2-CD2 4.37Å; W250-L255 HydrophobicContact CH2-CG 3.99Å; W250-L255 HydrophobicContact CZ2-CD1 3.85Å; W250-L255 HydrophobicContact CZ2-CG 4.03Å; D252-L255 PolarHBondContact O-N 3.06Å; K253-L255 VanDerWaalsContact C-N 3.26Å; K253-L255 PolarHBondContact O-N 3.09Å
256E97.2Very high96.8Very high86 Ų8667.8 Ų67.840%0.40233%0.325SS..G310 helixtrans-122.334.4-178.3-52.8-167.5119.100111K253 L254 E258 K259 F260K253-E256 CarbonylContact O-C 3.43Å; K253-E256 VanDerWaalsContact O-C 3.26Å; K253-E256 PolarHBondContact O-N 3.03Å; K253-E256 VanDerWaalsContact O-N 3.11Å; L254-E256 VanDerWaalsContact C-N 3.25Å; L254-E256 PolarHBondContact O-N 3.44Å; E256-E258 WeakPolarHBondContact CA-OE2 3.31Å; E256-E258 PolarHBondContact O-N 3.15Å; E256-K259 HydrophobicContact CB-CD 3.98Å; E256-K259 HydrophobicContact CB-CG 4.28Å; E256-K259 WeakPolarHBondContact O-CB 3.27Å; E256-K259 PolarHBondContact O-N 3.42Å; E256-K259 WeakPolarHBondContact OE1-CE 3.37Å; E256-K259 IonicContact OE1-NZ 2.58Å; E256-K259 PolarHBondContact OE1-NZ 3.24Å; E256-K259 IonicContact OE2-NZ 2.93Å; E256-K259 PolarHBondContact OE2-NZ 3.46Å; E256-F260 HydrophobicContact CB-CE2 4.32Å; E256-F260 VanDerWaalsContact O-CD2 3.28Å; E256-F260 WeakPolarHBondContact O-CD2 3.43Å
257H97.4Very high96.5Very high0 Ų070.8 Ų70.80%034%0.341CS..G310 helixtrans-51.7-32-174.369-74.9000113.7L81 I84 K253 K259 F260 V261 I277 K279L81-H257 HydrophobicContact CD2-CB 4.14Å; I84-H257 HydrophobicContact CG1-CB 3.89Å; K253-H257 PolarHBondContact O-N 3.13Å; K253-H257 VanDerWaalsContact O-N 3.09Å; H257-K259 PolarHBondContact O-N 3.12Å; H257-F260 PolarHBondContact O-N 2.65Å; H257-V261 PolarHBondContact O-N 2.99Å; H257-I277 PolarHBondContact CD2-O 2.95Å; H257-I277 PolarHBondContact NE2-O 3.45Å; H257-K279 PolarHBondContact CE1-O 3.35Å; H257-K279 PolarHBondContact NE2-O 2.93Å
258E97.3Very high96.3Very high40 Ų4065.8 Ų65.819%0.18732%0.32CS..G310 helixtrans-60.4-24.617773.1-80.2-166.900113.5E256 F260 V261 V278 S280E256-E258 WeakPolarHBondContact CA-OE2 3.31Å; E256-E258 PolarHBondContact O-N 3.15Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-V261 WeakPolarHBondContact O-CG1 3.29Å; E258-V278 WeakPolarHBondContact CB-O 3.44Å; E258-S280 WeakPolarHBondContact CG-OG 3.46Å; E258-S280 WeakPolarHBondContact OE1-CB 3.3Å; E258-S280 PolarHBondContact OE1-OG 3.08Å
259K97.6Very high96Very high118 Ų11873.2 Ų73.251%0.51335%0.351SS..G310 helixtrans-78.5-18.5176.4-57.8-175.7-171.5171.80112.5E256 H257E256-K259 HydrophobicContact CB-CD 3.98Å; E256-K259 HydrophobicContact CB-CG 4.28Å; E256-K259 WeakPolarHBondContact O-CB 3.27Å; E256-K259 PolarHBondContact O-N 3.42Å; E256-K259 WeakPolarHBondContact OE1-CE 3.37Å; E256-K259 IonicContact OE1-NZ 2.58Å; E256-K259 PolarHBondContact OE1-NZ 3.24Å; E256-K259 IonicContact OE2-NZ 2.93Å; E256-K259 PolarHBondContact OE2-NZ 3.46Å; H257-K259 PolarHBondContact O-N 3.12Å
260F97Very high95.6Very high59 Ų5978.5 Ų78.526%0.25936%0.363SS..THydrogen-bonded Turntrans-116.1-21.3-171.2-57.9-74.7000113.7I84 K253 E256 H257 E258 Y262 N263 T264I84-F260 HydrophobicContact CD1-CB 3.75Å; I84-F260 HydrophobicContact CG1-CB 4.43Å; I84-F260 HydrophobicContact CG2-CB 4.2Å; I84-F260 HydrophobicContact CG2-CD2 4.49Å; K253-F260 HydrophobicContact CB-CD2 3.84Å; K253-F260 HydrophobicContact CB-CE2 3.68Å; K253-F260 HydrophobicContact CB-CZ 4.23Å; K253-F260 HydrophobicContact CD-CD1 4.31Å; K253-F260 HydrophobicContact CD-CE1 4.11Å; K253-F260 HydrophobicContact CD-CE2 4.33Å; K253-F260 HydrophobicContact CD-CZ 4.13Å; K253-F260 HydrophobicContact CG-CD2 4.14Å; K253-F260 HydrophobicContact CG-CE1 4.16Å; K253-F260 HydrophobicContact CG-CE2 3.65Å; K253-F260 HydrophobicContact CG-CZ 3.66Å; E256-F260 HydrophobicContact CB-CE2 4.32Å; E256-F260 VanDerWaalsContact O-CD2 3.28Å; E256-F260 WeakPolarHBondContact O-CD2 3.43Å; H257-F260 PolarHBondContact O-N 2.65Å; E258-F260 VanDerWaalsContact C-N 3.31Å; F260-Y262 VanDerWaalsContact C-N 3.34Å; F260-Y262 PolarHBondContact O-N 3.45Å; F260-N263 PolarHBondContact O-N 2.98Å; F260-T264 WeakPolarHBondContact O-CB 3.34Å; F260-T264 PolarHBondContact O-N 2.86Å; F260-T264 PolarHBondContact O-OG1 3.35Å
261V96Very high95.4Very high0 Ų075.7 Ų75.70%035%0.353CS..Hα-helixtrans-49.3-47.6-173.958.30000113.7I80 H257 E258 N263 T264 S265 L267 V278I80-V261 HydrophobicContact CD1-CB 4.21Å; I80-V261 HydrophobicContact CD1-CG2 3.55Å; I80-V261 HydrophobicContact CG1-CB 4.3Å; I80-V261 HydrophobicContact CG1-CG2 3.88Å; H257-V261 PolarHBondContact O-N 2.99Å; E258-V261 WeakPolarHBondContact O-CG1 3.29Å; V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 PolarHBondContact O-N 3.04Å; V261-T264 PolarHBondContact O-N 2.91Å; V261-S265 PolarHBondContact O-N 3.02Å; V261-L267 HydrophobicContact CG2-CD1 4.41Å; V261-L267 HydrophobicContact CG2-CD2 3.73Å; V261-L267 HydrophobicContact CG2-CG 4.42Å; V261-V278 HydrophobicContact CG1-CB 4.26Å; V261-V278 HydrophobicContact CG1-CG1 4.08Å; V261-V278 HydrophobicContact CG2-CG1 4.06Å
262Y95Very high95Very high164 Ų16476.9 Ų76.964%0.64337%0.367SS*.Hα-helixtrans-67.1-26.1-177-72.7-71.4000114.1F260 L267 V278F260-Y262 VanDerWaalsContact C-N 3.34Å; F260-Y262 PolarHBondContact O-N 3.45Å; Y262-L267 HydrophobicContact CD1-CD1 3.75Å; Y262-L267 HydrophobicContact CE1-CD1 3.63Å; Y262-V278 HydrophobicContact CE1-CG1 4.46Å; Y262-V278 HydrophobicContact CE2-CB 4.37Å; Y262-V278 HydrophobicContact CE2-CG1 4.39Å
263N94Very high94.7Very high153 Ų15373.2 Ų73.282%0.81835%0.349SS*.Hα-helixtrans-100.5-15.7-176.7-66.1-25.6000113.1F260 V261F260-N263 PolarHBondContact O-N 2.98Å; V261-N263 VanDerWaalsContact C-N 3.27Å; V261-N263 PolarHBondContact O-N 3.04Å
264T92.3Very high94.4Very high77 Ų7769.9 Ų69.947%0.47234%0.336SS..Hα-helixtrans-114.5-39.7-170.7-44.70000111.9I84 F260 V261I84-T264 HydrophobicContact CD1-CG2 4.04Å; F260-T264 WeakPolarHBondContact O-CB 3.34Å; F260-T264 PolarHBondContact O-N 2.86Å; F260-T264 PolarHBondContact O-OG1 3.35Å; V261-T264 PolarHBondContact O-N 2.91Å
265S93.9Very high94.1Very high12 Ų1275.7 Ų75.78%0.08437%0.366CS..SBendtrans-107.5149.4-175.2-176.30000112.4R79 I80 D83 V261R79-S265 PolarHBondContact NH2-OG 2.7Å; I80-S265 WeakPolarHBondContact CD1-OG 3.46Å; D83-S265 VanDerWaalsContact OD2-CB 3.26Å; D83-S265 WeakPolarHBondContact OD2-CB 3.34Å; D83-S265 PolarHBondContact OD2-OG 2.98Å; V261-S265 PolarHBondContact O-N 3.02Å
266K93.7Very high93.9Very high135 Ų13576.8 Ų76.859%0.58737%0.37SS*.  trans-84.3116.6170.1-177.9174.9-178.1-1800110.1R79 P92R79-K266 PolarHBondContact NH2-O 2.91Å; P92-K266 HydrophobicContact CG-CD 4.22Å; P92-K266 HydrophobicContact CG-CG 4.36Å
267L93.3Very high93.8Very high63 Ų6372.9 Ų72.933%0.3335%0.352SS..  trans-88.7129.7177-60.6-179.4000111.1V261 Y262 I277 V278V261-L267 HydrophobicContact CG2-CD1 4.41Å; V261-L267 HydrophobicContact CG2-CD2 3.73Å; V261-L267 HydrophobicContact CG2-CG 4.42Å; Y262-L267 HydrophobicContact CD1-CD1 3.75Å; Y262-L267 HydrophobicContact CE1-CD1 3.63Å; L267-I277 HydrophobicContact CD2-CD1 3.78Å; L267-I277 HydrophobicContact CD2-CG1 4.36Å; L267-V278 HydrophobicContact CD1-CG1 3.94Å; L267-V278 HydrophobicContact CD2-CG1 4.44Å
268N93Very high93.7Very high48 Ų4874.3 Ų74.326%0.25736%0.361SS..  trans-106.9113.7174.5179.90.3000109.7P92 Y270 E271 S274P92-N268 HydrophobicContact CB-CB 3.76Å; N268-Y270 PolarHBondContact O-N 2.87Å; N268-Y270 WeakPolarHBondContact OD1-CD2 3.38Å; N268-Y270 PolarHBondContact OD1-N 2.95Å; N268-E271 HydrophobicContact CB-CG 4.09Å; N268-E271 PolarHBondContact O-N 2.96Å; N268-S274 PolarHBondContact O-OG 3.08Å
269K92Very high93.7Very high168 Ų16877.8 Ų77.873%0.7338%0.375SS*.THydrogen-bonded Turntrans-59.9-19.5-178.769.3-178.3-177.1-179.70114.3
270Y91.7Very high93.7Very high186 Ų18675 Ų7573%0.72937%0.371SS*.THydrogen-bonded Turntrans-86.8-11.2178.5-58.6-72.2000113.4N268 A272N268-Y270 PolarHBondContact O-N 2.87Å; N268-Y270 WeakPolarHBondContact OD1-CD2 3.38Å; N268-Y270 PolarHBondContact OD1-N 2.95Å; Y270-A272 PolarHBondContact O-N 3.21Å
271E92.4Very high93.7Very high14 Ų1474.1 Ų74.17%0.06537%0.368CS..SBendtrans-74.2126.2172.6-80.4-178.9-125.400110.7R79 P92 E93 K149 N268 S273 S274R79-E271 IonicContact CZ-OE1 3.03Å; R79-E271 IonicContact CZ-OE2 2.73Å; R79-E271 VanDerWaalsContact NH1-CD 3.27Å; R79-E271 IonicContact NH1-OE1 2.63Å; R79-E271 PolarHBondContact NH1-OE1 3.03Å; R79-E271 IonicContact NH1-OE2 3.89Å; R79-E271 PolarHBondContact NH1-OE2 3.29Å; P92-E271 WeakPolarHBondContact CA-OE1 3.3Å; P92-E271 WeakPolarHBondContact CB-OE1 3.24Å; E93-E271 HydrophobicContact CB-CG 4.07Å; E93-E271 PolarHBondContact N-OE1 2.83Å; K149-E271 IonicContact NZ-OE2 3.46Å; K149-E271 PolarHBondContact NZ-OE2 3.02Å; N268-E271 HydrophobicContact CB-CG 4.09Å; N268-E271 PolarHBondContact O-N 2.96Å; E271-S273 PolarHBondContact O-N 3.15Å; E271-S274 WeakPolarHBondContact CB-OG 3.46Å; E271-S274 VanDerWaalsContact O-CB 3.31Å; E271-S274 WeakPolarHBondContact O-CB 3.25Å; E271-S274 PolarHBondContact O-N 3.23Å; E271-S274 PolarHBondContact O-OG 3.12Å
272A90.5Very high93.7Very high56 Ų5677 Ų7746%0.46338%0.381SS..THydrogen-bonded Turntrans-55.4-31.4-178.700000113.2R186 I188 Y270R186-A272 PolarHBondContact NH2-O 3.39Å; I188-A272 HydrophobicContact CD1-CB 4.28Å; I188-A272 HydrophobicContact CG1-CB 3.94Å; Y270-A272 PolarHBondContact O-N 3.21Å
273S91.2Very high93.8Very high17 Ų1774 Ų7412%0.11938%0.377CS..THydrogen-bonded Turntrans-79-9.8-179.551.50000114.7E271 I275 Q276 I277E271-S273 PolarHBondContact O-N 3.15Å; S273-I275 VanDerWaalsContact C-N 3.26Å; S273-I275 PolarHBondContact O-N 3.46Å; S273-I275 VanDerWaalsContact O-N 3.13Å; S273-Q276 WeakPolarHBondContact O-CA 3.46Å; S273-Q276 WeakPolarHBondContact O-CB 3.48Å; S273-Q276 PolarHBondContact O-N 3.33Å; S273-I277 WeakPolarHBondContact O-CG2 3.26Å; S273-I277 PolarHBondContact O-N 2.8Å
274S91Very high93.8Very high19 Ų1971.2 Ų71.213%0.13336%0.361CS..THydrogen-bonded Turntrans-59.1-32.5-168.9-71.60000114.6N268 E271 Q276N268-S274 PolarHBondContact O-OG 3.08Å; E271-S274 WeakPolarHBondContact CB-OG 3.46Å; E271-S274 VanDerWaalsContact O-CB 3.31Å; E271-S274 WeakPolarHBondContact O-CB 3.25Å; E271-S274 PolarHBondContact O-N 3.23Å; E271-S274 PolarHBondContact O-OG 3.12Å; S274-Q276 VanDerWaalsContact C-N 3.3Å; S274-Q276 PolarHBondContact O-N 3.43Å
275I92Very high93.8Very high123 Ų12368.3 Ų68.363%0.63135%0.345SS*.THydrogen-bonded Turntrans-75.5-16.117657.9156.3000114S273 K279S273-I275 VanDerWaalsContact C-N 3.26Å; S273-I275 PolarHBondContact O-N 3.46Å; S273-I275 VanDerWaalsContact O-N 3.13Å; I275-K279 WeakPolarHBondContact O-CE 3.5Å
276Q94.2Very high93.8Very high74 Ų7468.2 Ų68.235%0.34634%0.343SS..THydrogen-bonded Turntrans-101.3-39.4-176.1-71173.2-46.100112.1S273 S274 V278 K279S273-Q276 WeakPolarHBondContact O-CA 3.46Å; S273-Q276 WeakPolarHBondContact O-CB 3.48Å; S273-Q276 PolarHBondContact O-N 3.33Å; S274-Q276 VanDerWaalsContact C-N 3.3Å; S274-Q276 PolarHBondContact O-N 3.43Å; Q276-V278 PolarHBondContact O-N 2.94Å; Q276-V278 VanDerWaalsContact O-N 3.08Å; Q276-K279 WeakPolarHBondContact O-CB 3.43Å; Q276-K279 PolarHBondContact O-N 3.15Å
277I94.4Very high93.7Very high4 Ų464.2 Ų64.22%0.02133%0.328CS..THydrogen-bonded Turntrans-68-7.5-175.262.4178.5000114.5G76 I80 H257 L267 S273G76-I277 VanDerWaalsContact C-CG2 3.48Å; G76-I277 VanDerWaalsContact O-CG2 3.28Å; G76-I277 WeakPolarHBondContact O-CG2 3.22Å; I80-I277 HydrophobicContact CB-CB 4.2Å; I80-I277 HydrophobicContact CG2-CB 3.95Å; I80-I277 HydrophobicContact CG2-CG2 4.29Å; H257-I277 PolarHBondContact CD2-O 2.95Å; H257-I277 PolarHBondContact NE2-O 3.45Å; L267-I277 HydrophobicContact CD2-CD1 3.78Å; L267-I277 HydrophobicContact CD2-CG1 4.36Å; S273-I277 WeakPolarHBondContact O-CG2 3.26Å; S273-I277 PolarHBondContact O-N 2.8Å
278V96Very high93.7Very high31 Ų3163.3 Ų63.319%0.18833%0.329CS..THydrogen-bonded Turntrans-97.21.7176.2-59.70000112.8E258 V261 Y262 L267 Q276E258-V278 WeakPolarHBondContact CB-O 3.44Å; V261-V278 HydrophobicContact CG1-CB 4.26Å; V261-V278 HydrophobicContact CG1-CG1 4.08Å; V261-V278 HydrophobicContact CG2-CG1 4.06Å; Y262-V278 HydrophobicContact CE1-CG1 4.46Å; Y262-V278 HydrophobicContact CE2-CB 4.37Å; Y262-V278 HydrophobicContact CE2-CG1 4.39Å; L267-V278 HydrophobicContact CD1-CG1 3.94Å; L267-V278 HydrophobicContact CD2-CG1 4.44Å; Q276-V278 PolarHBondContact O-N 2.94Å; Q276-V278 VanDerWaalsContact O-N 3.08Å
279K96.9Very high93.6Very high112 Ų11261.2 Ų61.249%0.48732%0.318SS..SBendtrans-103.9147.8179.5-59.7-178.6179.9-178.90109.5H257 I275 Q276H257-K279 PolarHBondContact CE1-O 3.35Å; H257-K279 PolarHBondContact NE2-O 2.93Å; I275-K279 WeakPolarHBondContact O-CE 3.5Å; Q276-K279 WeakPolarHBondContact O-CB 3.43Å; Q276-K279 PolarHBondContact O-N 3.15Å
280S97.4Very high93.5Very high60 Ų6053.9 Ų53.942%0.4229%0.288SS..PPolyproline II helixtrans-53.7151.6171.1-46.70000111.2E258 H282E258-S280 WeakPolarHBondContact CG-OG 3.46Å; E258-S280 WeakPolarHBondContact OE1-CB 3.3Å; E258-S280 PolarHBondContact OE1-OG 3.08Å; S280-H282 PolarHBondContact O-CD2 2.94Å; S280-H282 VanDerWaalsContact O-CD2 3.3Å; S280-H282 PolarHBondContact O-N 3.24Å
281I97.4Very high93.3Very high40 Ų4050 Ų5021%0.20527%0.272CS..PPolyproline II helixtrans-55.2128.1173.1-59.6179.4000108.8L77 L81 I232 P235L77-I281 HydrophobicContact CD1-CG1 4.38Å; L81-I281 HydrophobicContact CD2-CD1 4.42Å; I232-I281 HydrophobicContact CD1-CG2 3.76Å; P235-I281 HydrophobicContact CB-CD1 3.72Å
282H96.5Very high92.6Very high61 Ų6156.6 Ų56.628%0.28231%0.308SS..  trans-146152.6-175.164.855.1000112I232 S280I232-H282 VanDerWaalsContact CG2-O 3.26Å; I232-H282 WeakPolarHBondContact CG2-O 3.25Å; S280-H282 PolarHBondContact O-CD2 2.94Å; S280-H282 VanDerWaalsContact O-CD2 3.3Å; S280-H282 PolarHBondContact O-N 3.24Å
283N95.5Very high92Very high102 Ų10262.8 Ų62.855%0.54533%0.326SS..G310 helixtrans-84.6-6.3-179.564.40.8000114.7I232 S285 L286I232-N283 HydrophobicContact CG2-CB 4.37Å; N283-S285 PolarHBondContact O-N 3.39Å; N283-L286 HydrophobicContact CB-CD1 3.98Å; N283-L286 HydrophobicContact CB-CG 4.44Å; N283-L286 WeakPolarHBondContact O-CB 3.43Å; N283-L286 WeakPolarHBondContact O-CG 3.3Å; N283-L286 PolarHBondContact O-N 2.87Å
284N93.8Very high91.4Very high93 Ų9363 Ų6350%0.49733%0.328SS..G310 helixtrans-54.2-23.7-172.1-66.6-28.4000115.1R291N284-R291 PolarHBondContact O-NH2 3.11Å
285S93.2Very high90.5Very high17 Ų1765.2 Ų65.212%0.11934%0.342CS..G310 helixtrans-92.6-12-17756.10000114.1R174 Y228 N283R174-S285 PolarHBondContact NH2-O 3.38Å; Y228-S285 PolarHBondContact OH-OG 3.26Å; N283-S285 PolarHBondContact O-N 3.39Å
286L94.6Very high90Very high10 Ų1059.6 Ų59.65%0.05231%0.313CS..THydrogen-bonded Turntrans-67.9-52-173.6-64.7-177.1000111.3Y228 E229 I232 L233 N283 W289 Y325Y228-L286 HydrophobicContact CD1-CD2 4.18Å; Y228-L286 HydrophobicContact CE1-CD2 3.99Å; E229-L286 HydrophobicContact CB-CD2 4.32Å; E229-L286 HydrophobicContact CG-CD2 4.12Å; I232-L286 HydrophobicContact CB-CD1 4.46Å; I232-L286 HydrophobicContact CB-CD2 4.04Å; I232-L286 HydrophobicContact CG1-CD2 4.24Å; I232-L286 HydrophobicContact CG2-CD1 3.9Å; I232-L286 HydrophobicContact CG2-CD2 4.09Å; I232-L286 HydrophobicContact CG2-CG 4.05Å; L233-L286 HydrophobicContact CD2-CD1 3.79Å; L233-L286 HydrophobicContact CG-CD1 3.97Å; N283-L286 HydrophobicContact CB-CD1 3.98Å; N283-L286 HydrophobicContact CB-CG 4.44Å; N283-L286 WeakPolarHBondContact O-CB 3.43Å; N283-L286 WeakPolarHBondContact O-CG 3.3Å; N283-L286 PolarHBondContact O-N 2.87Å; L286-W289 VanDerWaalsContact O-CD1 3.24Å; L286-W289 PolarHBondContact O-NE1 3.29Å; L286-W289 VanDerWaalsContact O-NE1 3.16Å; L286-Y325 HydrophobicContact CB-CD2 4.06Å; L286-Y325 HydrophobicContact CB-CE2 4.08Å; L286-Y325 WeakPolarHBondContact O-CE2 3.43Å
287D91.7Very high89.4Confident51 Ų5162.5 Ų62.527%0.27333%0.331SS..SBendtrans-102.2-2.4-174.566.8-43.2000113.6W289 S290 R291 P322D287-W289 PolarHBondContact O-N 3.44Å; D287-S290 PolarHBondContact O-N 2.79Å; D287-S290 PolarHBondContact O-OG 3.5Å; D287-R291 IonicContact OD1-CZ 2.69Å; D287-R291 IonicContact OD1-NE 3.11Å; D287-R291 IonicContact OD1-NH2 3.92Å; D287-R291 PolarHBondContact OD1-NH2 2.94Å; D287-R291 IonicContact OD2-CZ 2.87Å; D287-R291 IonicContact OD2-NE 3.43Å; D287-R291 PolarHBondContact OD2-NE 3.27Å; D287-R291 IonicContact OD2-NH2 2.73Å; D287-R291 PolarHBondContact OD2-NH2 3.46Å; D287-P322 HydrophobicContact CB-CG 3.76Å
288A91.7Very high88.7Confident43 Ų4365.4 Ų65.436%0.35535%0.346SS..THydrogen-bonded Turntrans-52.7-32.3-173.200000114.1S290A288-S290 VanDerWaalsContact C-N 3.29Å; A288-S290 PolarHBondContact O-N 2.7Å
289W91.8Very high88.1Confident5 Ų572.3 Ų72.32%0.01937%0.373CS..THydrogen-bonded Turntrans-71.4-20.717965.6-88.4000114R177 A178 A181 L286 D287 S294 F301 I321 P322 Y325R177-W289 HydrophobicContact CB-CD2 3.87Å; R177-W289 HydrophobicContact CB-CE3 3.74Å; R177-W289 HydrophobicContact CB-CH2 4.08Å; R177-W289 HydrophobicContact CB-CZ2 4.18Å; R177-W289 HydrophobicContact CB-CZ3 3.88Å; R177-W289 HydrophobicContact CG-CH2 4.39Å; R177-W289 HydrophobicContact CG-CZ3 4.31Å; A178-W289 HydrophobicContact CB-CG 4.07Å; A181-W289 HydrophobicContact CB-CB 3.6Å; L286-W289 VanDerWaalsContact O-CD1 3.24Å; L286-W289 PolarHBondContact O-NE1 3.29Å; L286-W289 VanDerWaalsContact O-NE1 3.16Å; D287-W289 PolarHBondContact O-N 3.44Å; W289-S294 WeakPolarHBondContact O-CB 3.49Å; W289-S294 PolarHBondContact O-OG 3.48Å; W289-F301 HydrophobicContact CB-CE2 4.47Å; W289-F301 HydrophobicContact CB-CZ 4.24Å; W289-F301 HydrophobicContact CE3-CB 4.25Å; W289-F301 HydrophobicContact CE3-CD1 4.1Å; W289-F301 AromaticContact CE3-CD2 3.59Å; W289-F301 HydrophobicContact CE3-CD2 3.59Å; W289-F301 HydrophobicContact CE3-CE1 4.26Å; W289-F301 AromaticContact CE3-CE2 3.79Å; W289-F301 HydrophobicContact CE3-CE2 3.79Å; W289-F301 AromaticContact CE3-CG 3.73Å; W289-F301 HydrophobicContact CE3-CG 3.73Å; W289-F301 HydrophobicContact CE3-CZ 4.09Å; W289-F301 HydrophobicContact CZ3-CB 3.72Å; W289-F301 HydrophobicContact CZ3-CD1 4.29Å; W289-F301 AromaticContact CZ3-CD2 3.89Å; W289-F301 HydrophobicContact CZ3-CD2 3.89Å; W289-F301 AromaticContact CZ3-CG 3.73Å; W289-F301 HydrophobicContact CZ3-CG 3.73Å; W289-F301 WeakPolarHBondContact O-CE2 3.46Å; W289-I321 HydrophobicContact CH2-CG2 3.92Å; W289-I321 HydrophobicContact CZ3-CG2 3.83Å; W289-P322 HydrophobicContact CH2-CB 4.38Å; W289-P322 HydrophobicContact CZ2-CB 3.7Å; W289-Y325 PolarHBondContact NE1-OH 2.87Å
290S90.2Very high87.4Confident14 Ų1469.2 Ų69.210%0.09836%0.362CS..THydrogen-bonded Turntrans-97-14.8-176.568.40000114.1D287 A288 P322D287-S290 PolarHBondContact O-N 2.79Å; D287-S290 PolarHBondContact O-OG 3.5Å; A288-S290 VanDerWaalsContact C-N 3.29Å; A288-S290 PolarHBondContact O-N 2.7Å; S290-P322 VanDerWaalsContact OG-CD 3.27Å; S290-P322 WeakPolarHBondContact OG-CD 3.28Å
291R87.7Confident86.8Confident104 Ų10466.4 Ų66.439%0.39234%0.342SS..SBendtrans-68.7154.9-178.3-58-177.6-166.3145.24110.9N284 D287 H293 S294N284-R291 PolarHBondContact O-NH2 3.11Å; D287-R291 IonicContact OD1-CZ 2.69Å; D287-R291 IonicContact OD1-NE 3.11Å; D287-R291 IonicContact OD1-NH2 3.92Å; D287-R291 PolarHBondContact OD1-NH2 2.94Å; D287-R291 IonicContact OD2-CZ 2.87Å; D287-R291 IonicContact OD2-NE 3.43Å; D287-R291 PolarHBondContact OD2-NE 3.27Å; D287-R291 IonicContact OD2-NH2 2.73Å; D287-R291 PolarHBondContact OD2-NH2 3.46Å; R291-H293 PolarHBondContact O-N 3.47Å; R291-S294 VanDerWaalsContact O-CB 3.22Å; R291-S294 WeakPolarHBondContact O-CB 3.42Å; R291-S294 PolarHBondContact O-N 2.77Å
292N77.6Confident86.1Confident152 Ų15270.2 Ų70.281%0.81336%0.357SS*.THydrogen-bonded Turntrans-55.2-24.3-177.5-71.3-11.4000115.2S294N292-S294 VanDerWaalsContact C-N 3.33Å
293H76.3Confident85.6Confident186 Ų18670 Ų7086%0.86136%0.362SS*.THydrogen-bonded Turntrans-89.54.8178.8-56.393.3000113.4R291R291-H293 PolarHBondContact O-N 3.47Å
294S79.1Confident85Confident22 Ų2265.6 Ų65.615%0.15434%0.338CS..  trans-63.1129.3175.1-174.70000109.3W289 R291 N292 I296W289-S294 WeakPolarHBondContact O-CB 3.49Å; W289-S294 PolarHBondContact O-OG 3.48Å; R291-S294 VanDerWaalsContact O-CB 3.22Å; R291-S294 WeakPolarHBondContact O-CB 3.42Å; R291-S294 PolarHBondContact O-N 2.77Å; N292-S294 VanDerWaalsContact C-N 3.33Å; S294-I296 PolarHBondContact O-N 2.88Å
295P71.8Confident84.6Confident66 Ų6661.6 Ų61.643%0.42932%0.317SS..SBendtrans-71.3-14.3-178.231.4-36.8000112.2L194L194-P295 HydrophobicContact CD1-CB 3.95Å; L194-P295 HydrophobicContact CD2-CB 3.74Å; L194-P295 HydrophobicContact CD2-CG 4.04Å; L194-P295 HydrophobicContact CG-CB 4.49Å
296I82.3Confident84.2Confident5 Ų565.1 Ų65.13%0.02634%0.338CS..SBendtrans-94.7127.3178.6-60.6170.9000108.8A181 I184 L194 V197 S294 I298 L300 F301A181-I296 HydrophobicContact CB-CD1 3.98Å; I184-I296 HydrophobicContact CD1-CD1 3.9Å; L194-I296 HydrophobicContact CD2-CG1 3.77Å; V197-I296 HydrophobicContact CG1-CD1 4.07Å; V197-I296 HydrophobicContact CG1-CG1 4.48Å; V197-I296 HydrophobicContact CG1-CG2 4.02Å; V197-I296 HydrophobicContact CG2-CD1 4.38Å; V197-I296 HydrophobicContact CG2-CG1 4.19Å; S294-I296 PolarHBondContact O-N 2.88Å; I296-I298 PolarHBondContact O-N 3.15Å; I296-L300 HydrophobicContact CG2-CB 4.36Å; I296-L300 HydrophobicContact CG2-CD2 4.08Å; I296-F301 HydrophobicContact CB-CE1 4.31Å; I296-F301 HydrophobicContact CB-CE2 3.61Å; I296-F301 HydrophobicContact CB-CZ 3.48Å; I296-F301 VanDerWaalsContact CB-CZ 3.48Å; I296-F301 HydrophobicContact CD1-CE1 4.21Å; I296-F301 HydrophobicContact CD1-CZ 3.74Å; I296-F301 HydrophobicContact CG1-CZ 4.19Å; I296-F301 HydrophobicContact CG2-CD1 4.3Å; I296-F301 HydrophobicContact CG2-CD2 4.16Å; I296-F301 HydrophobicContact CG2-CE1 3.78Å; I296-F301 HydrophobicContact CG2-CE2 3.58Å; I296-F301 HydrophobicContact CG2-CZ 3.4Å
297L80.9Confident83.9Confident135 Ų13570 Ų7071%0.70737%0.365SS*.  trans-56.8129-179.9-64176000111.2K299 L300 F301L297-K299 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact O-N 3.07Å; L297-L300 WeakPolarHBondContact O-CB 3.49Å; L297-L300 PolarHBondContact O-N 3.44Å; L297-F301 PolarHBondContact O-N 3.49Å
298I80.6Confident83.9Confident65 Ų6567.7 Ų67.733%0.33335%0.352SS..Hα-helixtrans-52.7-34.4175.2-66.6172.5000111.5I296 L300 F301 K302 I321I296-I298 PolarHBondContact O-N 3.15Å; I298-L300 VanDerWaalsContact C-N 3.25Å; I298-L300 PolarHBondContact O-N 2.89Å; I298-F301 PolarHBondContact O-N 3.36Å; I298-K302 HydrophobicContact CG2-CD 4.31Å; I298-K302 HydrophobicContact CG2-CG 4.39Å; I298-K302 PolarHBondContact O-N 3.44Å; I298-I321 HydrophobicContact CG2-CD1 4.48Å
299K82Confident83.9Confident175 Ų17568.8 Ų68.876%0.76136%0.357SS*.Hα-helixtrans-57.9-36.4175.7-174.3177.8178.5-178.80112.6L297 K302 S303L297-K299 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact O-N 3.07Å; K299-K302 PolarHBondContact O-N 3.03Å; K299-S303 PolarHBondContact O-N 3.48Å
300L84.1Confident84.1Confident48 Ų4868.6 Ų68.625%0.25136%0.357SS..Hα-helixtrans-70.7-41.5178.2-175.358.8000111.2V197 I201 I296 L297 I298 K302 S303 M304V197-L300 HydrophobicContact CB-CD2 3.46Å; V197-L300 VanDerWaalsContact CB-CD2 3.46Å; V197-L300 HydrophobicContact CG1-CD2 3.34Å; V197-L300 HydrophobicContact CG1-CG 4.38Å; V197-L300 HydrophobicContact CG2-CD2 4.23Å; I201-L300 HydrophobicContact CD1-CG 4.45Å; I296-L300 HydrophobicContact CG2-CB 4.36Å; I296-L300 HydrophobicContact CG2-CD2 4.08Å; L297-L300 WeakPolarHBondContact O-CB 3.49Å; L297-L300 PolarHBondContact O-N 3.44Å; I298-L300 VanDerWaalsContact C-N 3.25Å; I298-L300 PolarHBondContact O-N 2.89Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 2.8Å; L300-S303 WeakPolarHBondContact O-CB 3.14Å; L300-S303 PolarHBondContact O-N 3.35Å; L300-M304 PolarHBondContact O-N 3.06Å
301F83.6Confident84.3Confident0 Ų067.9 Ų67.90%035%0.352CS..Hα-helixtrans-65.1-37.2173.7-64.8-49.9000112.8R177 A181 W289 I296 L297 I298 M304 T305R177-F301 HydrophobicContact CB-CD1 3.6Å; R177-F301 HydrophobicContact CB-CE1 3.78Å; R177-F301 HydrophobicContact CB-CG 4.38Å; R177-F301 HydrophobicContact CG-CB 4.48Å; R177-F301 HydrophobicContact CG-CD1 3.7Å; R177-F301 HydrophobicContact CG-CE1 4.33Å; R177-F301 HydrophobicContact CG-CG 4.42Å; A181-F301 HydrophobicContact CB-CZ 4.13Å; W289-F301 HydrophobicContact CB-CE2 4.47Å; W289-F301 HydrophobicContact CB-CZ 4.24Å; W289-F301 HydrophobicContact CE3-CB 4.25Å; W289-F301 HydrophobicContact CE3-CD1 4.1Å; W289-F301 AromaticContact CE3-CD2 3.59Å; W289-F301 HydrophobicContact CE3-CD2 3.59Å; W289-F301 HydrophobicContact CE3-CE1 4.26Å; W289-F301 AromaticContact CE3-CE2 3.79Å; W289-F301 HydrophobicContact CE3-CE2 3.79Å; W289-F301 AromaticContact CE3-CG 3.73Å; W289-F301 HydrophobicContact CE3-CG 3.73Å; W289-F301 HydrophobicContact CE3-CZ 4.09Å; W289-F301 HydrophobicContact CZ3-CB 3.72Å; W289-F301 HydrophobicContact CZ3-CD1 4.29Å; W289-F301 AromaticContact CZ3-CD2 3.89Å; W289-F301 HydrophobicContact CZ3-CD2 3.89Å; W289-F301 AromaticContact CZ3-CG 3.73Å; W289-F301 HydrophobicContact CZ3-CG 3.73Å; W289-F301 WeakPolarHBondContact O-CE2 3.46Å; I296-F301 HydrophobicContact CB-CE1 4.31Å; I296-F301 HydrophobicContact CB-CE2 3.61Å; I296-F301 HydrophobicContact CB-CZ 3.48Å; I296-F301 VanDerWaalsContact CB-CZ 3.48Å; I296-F301 HydrophobicContact CD1-CE1 4.21Å; I296-F301 HydrophobicContact CD1-CZ 3.74Å; I296-F301 HydrophobicContact CG1-CZ 4.19Å; I296-F301 HydrophobicContact CG2-CD1 4.3Å; I296-F301 HydrophobicContact CG2-CD2 4.16Å; I296-F301 HydrophobicContact CG2-CE1 3.78Å; I296-F301 HydrophobicContact CG2-CE2 3.58Å; I296-F301 HydrophobicContact CG2-CZ 3.4Å; L297-F301 PolarHBondContact O-N 3.49Å; I298-F301 PolarHBondContact O-N 3.36Å; F301-M304 PolarHBondContact O-N 3.22Å; F301-T305 WeakPolarHBondContact O-CB 3.45Å; F301-T305 PolarHBondContact O-N 2.92Å; F301-T305 PolarHBondContact O-OG1 2.79Å
302K83.8Confident84.6Confident120 Ų12068.1 Ų68.152%0.52236%0.356SS..Hα-helixtrans-56.9-49.5170.5-78.7-179.8175.5-169.50111.1I298 K299 L300 M304 T305 T306 I321I298-K302 HydrophobicContact CG2-CD 4.31Å; I298-K302 HydrophobicContact CG2-CG 4.39Å; I298-K302 PolarHBondContact O-N 3.44Å; K299-K302 PolarHBondContact O-N 3.03Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-K302 PolarHBondContact O-N 2.8Å; K302-M304 VanDerWaalsContact C-N 3.34Å; K302-M304 PolarHBondContact O-N 2.87Å; K302-T305 WeakPolarHBondContact O-CB 3.16Å; K302-T305 PolarHBondContact O-N 3.23Å; K302-T305 VanDerWaalsContact O-N 3.14Å; K302-T306 PolarHBondContact O-N 3.11Å; K302-T306 VanDerWaalsContact O-N 3.1Å; K302-T306 PolarHBondContact O-OG1 3.28Å; K302-I321 HydrophobicContact CB-CD1 4.45Å; K302-I321 HydrophobicContact CD-CD1 4.1Å; K302-I321 HydrophobicContact CG-CD1 3.27Å
303S85.2Confident85.4Confident56 Ų5665.9 Ų65.939%0.39234%0.343SS..Hα-helixtrans-57.5-44.5176.5-176.50000112.4K299 L300 T305 T306 N307K299-S303 PolarHBondContact O-N 3.48Å; L300-S303 WeakPolarHBondContact O-CB 3.14Å; L300-S303 PolarHBondContact O-N 3.35Å; S303-T305 VanDerWaalsContact C-N 3.34Å; S303-T305 PolarHBondContact O-N 3.36Å; S303-T306 PolarHBondContact O-N 3.21Å; S303-N307 WeakPolarHBondContact O-CB 3.17Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.89Å; S303-N307 VanDerWaalsContact O-ND2 3.14Å; S303-N307 PolarHBondContact OG-ND2 3.33Å
304M83.8Confident86.3Confident10 Ų1057.5 Ų57.55%0.04931%0.305CS..Hα-helixtrans-62.1-41.8176-175.4-178.1176.900112.1R177 I201 W204 L300 F301 K302 T306 N307 S308 L311R177-M304 HydrophobicContact CB-SD 4.48Å; R177-M304 HydrophobicContact CG-CE 4.29Å; R177-M304 HydrophobicContact CG-CG 4.36Å; R177-M304 HydrophobicContact CG-SD 3.43Å; R177-M304 WeakPolarHBondContact CG-SD 3.41Å; I201-M304 HydrophobicContact CB-CE 4.5Å; I201-M304 HydrophobicContact CB-SD 4.2Å; I201-M304 HydrophobicContact CD1-CB 4.34Å; I201-M304 HydrophobicContact CD1-CG 4.37Å; I201-M304 HydrophobicContact CD1-SD 3.64Å; I201-M304 HydrophobicContact CG1-CE 4.37Å; I201-M304 HydrophobicContact CG1-SD 3.67Å; I201-M304 HydrophobicContact CG2-CE 3.62Å; I201-M304 HydrophobicContact CG2-CG 3.73Å; I201-M304 HydrophobicContact CG2-SD 3.49Å; I201-M304 WeakPolarHBondContact CG2-SD 3.33Å; W204-M304 HydrophobicContact CD2-CE 4.44Å; W204-M304 HydrophobicContact CE3-CE 3.54Å; W204-M304 HydrophobicContact CH2-CE 4.41Å; W204-M304 HydrophobicContact CZ3-CE 3.52Å; L300-M304 PolarHBondContact O-N 3.06Å; F301-M304 PolarHBondContact O-N 3.22Å; K302-M304 VanDerWaalsContact C-N 3.34Å; K302-M304 PolarHBondContact O-N 2.87Å; M304-T306 VanDerWaalsContact C-N 3.26Å; M304-T306 PolarHBondContact O-N 3.25Å; M304-N307 PolarHBondContact O-N 2.67Å; M304-S308 WeakPolarHBondContact O-CB 3.31Å; M304-S308 PolarHBondContact O-N 3.29Å; M304-L311 HydrophobicContact CE-CD1 3.8Å; M304-L311 HydrophobicContact CE-CD2 4.25Å; M304-L311 HydrophobicContact CE-CG 3.98Å; M304-L311 HydrophobicContact CG-CD1 3.73Å; M304-L311 HydrophobicContact SD-CD1 4.15Å
305T84.2Confident86.9Confident10 Ų1061.4 Ų61.46%0.06132%0.324CS..Hα-helixtrans-58.6-40.4178.1-52.60000111.1R177 F301 K302 S303 V317R177-T305 PolarHBondContact NH1-OG1 3Å; F301-T305 WeakPolarHBondContact O-CB 3.45Å; F301-T305 PolarHBondContact O-N 2.92Å; F301-T305 PolarHBondContact O-OG1 2.79Å; K302-T305 WeakPolarHBondContact O-CB 3.16Å; K302-T305 PolarHBondContact O-N 3.23Å; K302-T305 VanDerWaalsContact O-N 3.14Å; S303-T305 VanDerWaalsContact C-N 3.34Å; S303-T305 PolarHBondContact O-N 3.36Å; T305-V317 HydrophobicContact CG2-CB 4.4Å; T305-V317 HydrophobicContact CG2-CG1 3.9Å; T305-V317 HydrophobicContact CG2-CG2 4.38Å; T305-V317 WeakPolarHBondContact O-CG2 3.17Å
306T85.5Confident88Confident91 Ų9158.3 Ų58.356%0.55830%0.303SS*.Hα-helixtrans-73.8-38.7177.6-53.10000113K302 S303 M304 K312K302-T306 PolarHBondContact O-N 3.11Å; K302-T306 VanDerWaalsContact O-N 3.1Å; K302-T306 PolarHBondContact O-OG1 3.28Å; S303-T306 PolarHBondContact O-N 3.21Å; M304-T306 VanDerWaalsContact C-N 3.26Å; M304-T306 PolarHBondContact O-N 3.25Å; T306-K312 WeakPolarHBondContact O-CE 3.48Å; T306-K312 PolarHBondContact O-NZ 3.14Å
307N88.5Confident88.3Confident113 Ų11360.9 Ų60.960%0.60432%0.32SS*.Hα-helixtrans-103.6-21.1-164.8-65.1-35.5000115.3S303 M304 S309S303-N307 WeakPolarHBondContact O-CB 3.17Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 2.89Å; S303-N307 VanDerWaalsContact O-ND2 3.14Å; S303-N307 PolarHBondContact OG-ND2 3.33Å; M304-N307 PolarHBondContact O-N 2.67Å; N307-S309 PolarHBondContact O-N 3.4Å
308S91.3Very high88.6Confident2 Ų256.2 Ų56.21%0.01430%0.298CS..  trans-75.1122.5-175.8-177.30000111.5E205 M304 L311 K312E205-S308 VanDerWaalsContact CD-OG 3.28Å; E205-S308 WeakPolarHBondContact OE2-CA 3.37Å; E205-S308 VanDerWaalsContact OE2-CB 3.28Å; E205-S308 WeakPolarHBondContact OE2-CB 3.5Å; E205-S308 PolarHBondContact OE2-OG 3.1Å; M304-S308 WeakPolarHBondContact O-CB 3.31Å; M304-S308 PolarHBondContact O-N 3.29Å; S308-L311 PolarHBondContact OG-N 2.85Å; S308-K312 WeakPolarHBondContact O-CG 3.38Å; S308-K312 PolarHBondContact O-N 3.39Å
309S92.3Very high88.7Confident66 Ų6661.3 Ų61.346%0.46233%0.326SS..Hα-helixtrans-71.3-36.4175.767.20000111.2E205 N307 K312 L313E205-S309 WeakPolarHBondContact OE1-CB 3.49Å; E205-S309 PolarHBondContact OE1-N 3.35Å; E205-S309 PolarHBondContact OE1-OG 2.84Å; N307-S309 PolarHBondContact O-N 3.4Å; S309-K312 WeakPolarHBondContact O-CB 3.17Å; S309-K312 PolarHBondContact O-N 2.61Å; S309-L313 WeakPolarHBondContact O-CB 3.32Å; S309-L313 PolarHBondContact O-N 2.9Å
310V95.3Very high89Confident0 Ų058.1 Ų58.10%032%0.317CS..Hα-helixtrans-72.1-38.5-179.9172.90000112.1W204 E205 T208 L209 K312 L313 L314W204-V310 HydrophobicContact CH2-CB 4.28Å; W204-V310 HydrophobicContact CH2-CG1 3.62Å; W204-V310 HydrophobicContact CZ2-CG1 4.32Å; W204-V310 HydrophobicContact CZ3-CB 4.15Å; W204-V310 HydrophobicContact CZ3-CG1 3.95Å; E205-V310 HydrophobicContact CG-CB 3.98Å; E205-V310 HydrophobicContact CG-CG2 3.61Å; E205-V310 PolarHBondContact OE1-N 2.64Å; T208-V310 HydrophobicContact CG2-CG1 4.02Å; L209-V310 HydrophobicContact CB-CG2 3.76Å; L209-V310 HydrophobicContact CD1-CG2 4.24Å; L209-V310 HydrophobicContact CG-CG2 4.4Å; V310-K312 VanDerWaalsContact C-N 3.26Å; V310-K312 PolarHBondContact O-N 2.68Å; V310-L313 PolarHBondContact O-N 3.46Å; V310-L314 HydrophobicContact CG1-CD1 3.66Å; V310-L314 HydrophobicContact CG1-CG 4.27Å; V310-L314 VanDerWaalsContact O-CB 3.3Å; V310-L314 WeakPolarHBondContact O-CB 3.35Å; V310-L314 WeakPolarHBondContact O-CG 3.48Å; V310-L314 PolarHBondContact O-N 3.39Å
311L94.6Very high89Confident0 Ų058.2 Ų58.20%032%0.318CS..Hα-helixtrans-61.1-38.2172.3-69.9-178.2000111.5R177 W204 M304 S308 L314 N315 Y316 V317R177-L311 HydrophobicContact CG-CD1 4.32Å; W204-L311 HydrophobicContact CH2-CD2 3.6Å; W204-L311 HydrophobicContact CH2-CG 4.15Å; W204-L311 HydrophobicContact CZ2-CD2 4.49Å; W204-L311 HydrophobicContact CZ3-CD2 4.03Å; W204-L311 HydrophobicContact CZ3-CG 4.14Å; M304-L311 HydrophobicContact CE-CD1 3.8Å; M304-L311 HydrophobicContact CE-CD2 4.25Å; M304-L311 HydrophobicContact CE-CG 3.98Å; M304-L311 HydrophobicContact CG-CD1 3.73Å; M304-L311 HydrophobicContact SD-CD1 4.15Å; S308-L311 PolarHBondContact OG-N 2.85Å; L311-L314 CarbonylContact O-C 3.41Å; L311-N315 PolarHBondContact O-N 2.88Å; L311-N315 VanDerWaalsContact O-N 3.15Å; L311-Y316 HydrophobicContact CD2-CD2 4.21Å; L311-Y316 HydrophobicContact CD2-CG 4.15Å; L311-Y316 PolarHBondContact O-N 3.3Å; L311-V317 HydrophobicContact CB-CG2 3.89Å
312K93.9Very high89.3Confident108 Ų10860 Ų6047%0.4733%0.329SS..Hα-helixtrans-66.5-50.2175.9-69.1172.1-173.21730111.4T306 S308 S309 V310 L314 N315 V317T306-K312 WeakPolarHBondContact O-CE 3.48Å; T306-K312 PolarHBondContact O-NZ 3.14Å; S308-K312 WeakPolarHBondContact O-CG 3.38Å; S308-K312 PolarHBondContact O-N 3.39Å; S309-K312 WeakPolarHBondContact O-CB 3.17Å; S309-K312 PolarHBondContact O-N 2.61Å; V310-K312 VanDerWaalsContact C-N 3.26Å; V310-K312 PolarHBondContact O-N 2.68Å; K312-L314 PolarHBondContact O-N 3.3Å; K312-N315 PolarHBondContact O-N 3.07Å; K312-N315 PolarHBondContact O-OD1 3.2Å; K312-V317 HydrophobicContact CB-CG2 4.43Å; K312-V317 HydrophobicContact CG-CB 4.45Å; K312-V317 HydrophobicContact CG-CG2 3.64Å
313L94.5Very high89.6Confident106 Ų10654.7 Ų54.756%0.55531%0.307SS*.Hα-helixtrans-53.6-40.8176.9176.164.4000111.7L209 L212 S309 V310 N315L209-L313 HydrophobicContact CD1-CD2 4.1Å; L212-L313 HydrophobicContact CD1-CD2 4.15Å; S309-L313 WeakPolarHBondContact O-CB 3.32Å; S309-L313 PolarHBondContact O-N 2.9Å; V310-L313 PolarHBondContact O-N 3.46Å; L313-N315 VanDerWaalsContact C-N 3.32Å
314L94.4Very high89.9Confident10 Ų1055.5 Ų55.55%0.05231%0.307CS..THydrogen-bonded Turntrans-898.9-179.7-66.3174.6000113.4I173 T208 L212 R227 V310 L311 K312 Y316I173-L314 HydrophobicContact CD1-CD2 4.3Å; I173-L314 HydrophobicContact CG2-CD1 3.73Å; I173-L314 HydrophobicContact CG2-CD2 4.46Å; T208-L314 HydrophobicContact CG2-CD1 4.28Å; L212-L314 HydrophobicContact CD1-CD1 4.25Å; L212-L314 HydrophobicContact CD1-CD2 3.92Å; L212-L314 HydrophobicContact CD1-CG 4.22Å; L212-L314 HydrophobicContact CD2-CD2 4.23Å; R227-L314 VanDerWaalsContact CZ-O 3.25Å; R227-L314 PolarHBondContact NH1-O 2.97Å; R227-L314 PolarHBondContact NH2-O 3.48Å; V310-L314 HydrophobicContact CG1-CD1 3.66Å; V310-L314 HydrophobicContact CG1-CG 4.27Å; V310-L314 VanDerWaalsContact O-CB 3.3Å; V310-L314 WeakPolarHBondContact O-CB 3.35Å; V310-L314 WeakPolarHBondContact O-CG 3.48Å; V310-L314 PolarHBondContact O-N 3.39Å; L311-L314 CarbonylContact O-C 3.41Å; K312-L314 PolarHBondContact O-N 3.3Å; L314-Y316 HydrophobicContact CB-CD2 3.48Å; L314-Y316 VanDerWaalsContact CB-CD2 3.48Å; L314-Y316 HydrophobicContact CB-CE2 3.71Å; L314-Y316 HydrophobicContact CD1-CD2 4.28Å; L314-Y316 HydrophobicContact CD1-CE2 4.08Å; L314-Y316 PolarHBondContact O-N 3.49Å
315N93.3Very high90.4Very high104 Ų10455.6 Ų55.656%0.55631%0.307SS*.THydrogen-bonded Turntrans6020179.9-61.4-32.3000115.8L311 K312 L313 V317 L328L311-N315 PolarHBondContact O-N 2.88Å; L311-N315 VanDerWaalsContact O-N 3.15Å; K312-N315 PolarHBondContact O-N 3.07Å; K312-N315 PolarHBondContact O-OD1 3.2Å; L313-N315 VanDerWaalsContact C-N 3.32Å; N315-V317 PolarHBondContact O-N 3.46Å; N315-L328 HydrophobicContact CB-CD2 4.08Å; N315-L328 WeakPolarHBondContact O-CD2 3.36Å
316Y93.3Very high90.8Very high0 Ų058.8 Ų58.80%032%0.323CS..  trans-77.5-1.6177.5-77.4-72.4000114.5I173 D175 R177 R227 E229 L311 L314 Y325 L328I173-Y316 HydrophobicContact CG2-CE2 4.35Å; D175-Y316 HydrophobicContact CB-CD1 3.8Å; D175-Y316 HydrophobicContact CB-CE1 3.77Å; D175-Y316 HydrophobicContact CB-CG 4.45Å; R177-Y316 PolarHBondContact NH2-O 3.31Å; R227-Y316 PolarHBondContact NH1-OH 3.17Å; E229-Y316 HydrophobicContact CG-CE1 4.23Å; E229-Y316 PolarHBondContact OE2-OH 2.72Å; L311-Y316 HydrophobicContact CD2-CD2 4.21Å; L311-Y316 HydrophobicContact CD2-CG 4.15Å; L311-Y316 PolarHBondContact O-N 3.3Å; L314-Y316 HydrophobicContact CB-CD2 3.48Å; L314-Y316 VanDerWaalsContact CB-CD2 3.48Å; L314-Y316 HydrophobicContact CB-CE2 3.71Å; L314-Y316 HydrophobicContact CD1-CD2 4.28Å; L314-Y316 HydrophobicContact CD1-CE2 4.08Å; L314-Y316 PolarHBondContact O-N 3.49Å; Y316-Y325 HydrophobicContact CD1-CD1 4.34Å; Y316-Y325 AromaticContact CD1-CE1 3.89Å; Y316-Y325 HydrophobicContact CD1-CE1 3.89Å; Y316-Y325 HydrophobicContact CE1-CD1 4.19Å; Y316-Y325 AromaticContact CE1-CE1 3.91Å; Y316-Y325 HydrophobicContact CE1-CE1 3.91Å; Y316-L328 HydrophobicContact CD1-CD1 3.42Å; Y316-L328 VanDerWaalsContact CD1-CD1 3.42Å; Y316-L328 HydrophobicContact CE1-CD1 3.23Å; Y316-L328 HydrophobicContact CG-CD1 4.31Å
317V90.2Very high91.1Very high60 Ų6059.2 Ų59.236%0.36432%0.322SS..  trans-87.4127.6-178.8176.60000110.5T305 L311 K312 N315T305-V317 HydrophobicContact CG2-CB 4.4Å; T305-V317 HydrophobicContact CG2-CG1 3.9Å; T305-V317 HydrophobicContact CG2-CG2 4.38Å; T305-V317 WeakPolarHBondContact O-CG2 3.17Å; L311-V317 HydrophobicContact CB-CG2 3.89Å; K312-V317 HydrophobicContact CB-CG2 4.43Å; K312-V317 HydrophobicContact CG-CB 4.45Å; K312-V317 HydrophobicContact CG-CG2 3.64Å; N315-V317 PolarHBondContact O-N 3.46Å
318S86.3Confident91.1Very high36 Ų3654.6 Ų54.625%0.25230%0.298SS..  trans-149.8166.2171.163.60000110.3D320 P323S318-D320 VanDerWaalsContact C-N 3.28Å; S318-D320 PolarHBondContact OG-N 2.85Å; S318-D320 PolarHBondContact OG-O 3.44Å; S318-P323 WeakPolarHBondContact OG-CA 3.38Å; S318-P323 WeakPolarHBondContact OG-CB 3.43Å
319D82.7Confident91.1Very high173 Ų17355.1 Ų55.193%0.92530%0.301SS*.SBendtrans-69-29.6170.8-65-34.5000112
320D87.5Confident90.4Very high107 Ų10757.8 Ų57.857%0.57231%0.31SS*.SBendtrans-75.1145.1176.3-63.1-42.3000112.6S318 P322S318-D320 VanDerWaalsContact C-N 3.28Å; S318-D320 PolarHBondContact OG-N 2.85Å; S318-D320 PolarHBondContact OG-O 3.44Å; D320-P322 CarbonylContact C-O 3.5Å; D320-P322 CarbonylContact O-C 3.41Å
321I85.2Confident88.7Confident51 Ų5167.1 Ų67.126%0.26235%0.353SS..SBendtrans-128109.9173-65.1178.6000108.4W289 I298 K302W289-I321 HydrophobicContact CH2-CG2 3.92Å; W289-I321 HydrophobicContact CZ3-CG2 3.83Å; I298-I321 HydrophobicContact CG2-CD1 4.48Å; K302-I321 HydrophobicContact CB-CD1 4.45Å; K302-I321 HydrophobicContact CD-CD1 4.1Å; K302-I321 HydrophobicContact CG-CD1 3.27Å
322P88.9Confident88.4Confident38 Ų3870.5 Ų70.525%0.24737%0.371CS..SBendcis-74.4165.2-0.137-34.7000111.4D287 W289 S290 D320 Y325D287-P322 HydrophobicContact CB-CG 3.76Å; W289-P322 HydrophobicContact CH2-CB 4.38Å; W289-P322 HydrophobicContact CZ2-CB 3.7Å; S290-P322 VanDerWaalsContact OG-CD 3.27Å; S290-P322 WeakPolarHBondContact OG-CD 3.28Å; D320-P322 CarbonylContact C-O 3.5Å; D320-P322 CarbonylContact O-C 3.41Å; P322-Y325 HydrophobicContact CB-CE2 4.26Å
323P89.8Confident88.1Confident7 Ų768.5 Ų68.55%0.04537%0.366CS..  trans-60.9151.8169.329.3-36.5000110.9S318 Y325S318-P323 WeakPolarHBondContact OG-CA 3.38Å; S318-P323 WeakPolarHBondContact OG-CB 3.43Å; P323-Y325 HydrophobicContact CG-CD1 3.87Å; P323-Y325 HydrophobicContact CG-CE1 3.41Å; P323-Y325 VanDerWaalsContact CG-CE1 3.41Å; P323-Y325 PolarHBondContact O-N 2.98Å
324N92.1Very high87.8Confident74 Ų7466.4 Ų66.440%0.39636%0.355SS..  trans-70.295.9168.5-175.6-6.4000109.9N326 N327N324-N326 PolarHBondContact O-N 3.29Å; N324-N326 VanDerWaalsContact O-N 3.14Å; N324-N326 WeakPolarHBondContact OD1-CB 3.35Å; N324-N326 PolarHBondContact OD1-N 3.39Å; N324-N326 VanDerWaalsContact OD1-N 3.12Å; N324-N326 PolarHBondContact OD1-ND2 3.23Å; N324-N326 VanDerWaalsContact OD1-ND2 3.14Å; N324-N327 WeakPolarHBondContact O-CB 3.48Å; N324-N327 PolarHBondContact O-N 3.25Å; N324-N327 VanDerWaalsContact O-N 3.09Å
325Y94.6Very high87.4Confident12 Ų1269.7 Ų69.75%0.04737%0.373CS..G310 helixtrans-61-21.6-177.7-66.3-52.5000114.3D175 E229 L286 W289 Y316 P322 P323 N327 L328 C329D175-Y325 HydrophobicContact CB-CE1 4.08Å; D175-Y325 WeakPolarHBondContact OD2-CE1 3.43Å; D175-Y325 PolarHBondContact OD2-OH 3.14Å; E229-Y325 HydrophobicContact CB-CD1 4.15Å; E229-Y325 HydrophobicContact CB-CG 4.08Å; E229-Y325 HydrophobicContact CG-CD1 3.52Å; E229-Y325 HydrophobicContact CG-CD2 4.09Å; E229-Y325 HydrophobicContact CG-CE1 3.71Å; E229-Y325 HydrophobicContact CG-CE2 4.29Å; E229-Y325 HydrophobicContact CG-CG 3.7Å; L286-Y325 HydrophobicContact CB-CD2 4.06Å; L286-Y325 HydrophobicContact CB-CE2 4.08Å; L286-Y325 WeakPolarHBondContact O-CE2 3.43Å; W289-Y325 PolarHBondContact NE1-OH 2.87Å; Y316-Y325 HydrophobicContact CD1-CD1 4.34Å; Y316-Y325 AromaticContact CD1-CE1 3.89Å; Y316-Y325 HydrophobicContact CD1-CE1 3.89Å; Y316-Y325 HydrophobicContact CE1-CD1 4.19Å; Y316-Y325 AromaticContact CE1-CE1 3.91Å; Y316-Y325 HydrophobicContact CE1-CE1 3.91Å; P322-Y325 HydrophobicContact CB-CE2 4.26Å; P323-Y325 HydrophobicContact CG-CD1 3.87Å; P323-Y325 HydrophobicContact CG-CE1 3.41Å; P323-Y325 VanDerWaalsContact CG-CE1 3.41Å; P323-Y325 PolarHBondContact O-N 2.98Å; Y325-N327 PolarHBondContact O-N 2.98Å; Y325-L328 HydrophobicContact CD1-CD1 3.61Å; Y325-L328 HydrophobicContact CE1-CD1 4.33Å; Y325-L328 WeakPolarHBondContact O-CB 3.35Å; Y325-L328 PolarHBondContact O-N 3.27Å; Y325-L328 VanDerWaalsContact O-N 3.09Å; Y325-C329 PolarHBondContact O-SG 2.93Å; Y325-C329 VanDerWaalsContact O-SG 3.38Å
326N93.1Very high87Confident76 Ų7667.6 Ų67.641%0.40636%0.361SS..G310 helixtrans-62.1-33.7174.8-65.9-71.8000112.1N324 L328 C329 N330N324-N326 PolarHBondContact O-N 3.29Å; N324-N326 VanDerWaalsContact O-N 3.14Å; N324-N326 WeakPolarHBondContact OD1-CB 3.35Å; N324-N326 PolarHBondContact OD1-N 3.39Å; N324-N326 VanDerWaalsContact OD1-N 3.12Å; N324-N326 PolarHBondContact OD1-ND2 3.23Å; N324-N326 VanDerWaalsContact OD1-ND2 3.14Å; N326-L328 PolarHBondContact O-N 3.14Å; N326-C329 PolarHBondContact O-N 2.8Å; N326-N330 PolarHBondContact O-ND2 3.24Å
327N91.2Very high86.6Confident100 Ų10072.1 Ų72.154%0.53539%0.385SS..G310 helixtrans-66.1-23.3178.4-66.5-8.8000111.9N324 Y325 C329N324-N327 WeakPolarHBondContact O-CB 3.48Å; N324-N327 PolarHBondContact O-N 3.25Å; N324-N327 VanDerWaalsContact O-N 3.09Å; Y325-N327 PolarHBondContact O-N 2.98Å; N327-C329 VanDerWaalsContact C-N 3.35Å
328L89.3Confident86.3Confident17 Ų1772.9 Ų72.99%0.08939%0.387CS..G310 helixtrans-75.3-24.4178.4-56.7-177.7000113.5N315 Y316 Y325 N326N315-L328 HydrophobicContact CB-CD2 4.08Å; N315-L328 WeakPolarHBondContact O-CD2 3.36Å; Y316-L328 HydrophobicContact CD1-CD1 3.42Å; Y316-L328 VanDerWaalsContact CD1-CD1 3.42Å; Y316-L328 HydrophobicContact CE1-CD1 3.23Å; Y316-L328 HydrophobicContact CG-CD1 4.31Å; Y325-L328 HydrophobicContact CD1-CD1 3.61Å; Y325-L328 HydrophobicContact CE1-CD1 4.33Å; Y325-L328 WeakPolarHBondContact O-CB 3.35Å; Y325-L328 PolarHBondContact O-N 3.27Å; Y325-L328 VanDerWaalsContact O-N 3.09Å; N326-L328 PolarHBondContact O-N 3.14Å
329C91.1Very high86.3Confident12 Ų1275.8 Ų75.88%0.08140%0.397CS..SBendtrans-96.1-2.4-168.4-53.60000113.6C230 Y325 N326 N327 H331C230-C329 WeakPolarHBondContact CA-SG 3.41Å; C230-C329 HydrophobicContact CB-CB 3.8Å; C230-C329 WeakPolarHBondContact CB-SG 3.28Å; C230-C329 WeakPolarHBondContact SG-CA 3.34Å; C230-C329 WeakPolarHBondContact SG-CB 3.42Å; C230-C329 CovalentContact SG-SG 2.05Å; C230-C329 PolarHBondContact SG-SG 3.03Å; Y325-C329 PolarHBondContact O-SG 2.93Å; Y325-C329 VanDerWaalsContact O-SG 3.38Å; N326-C329 PolarHBondContact O-N 2.8Å; N327-C329 VanDerWaalsContact C-N 3.35Å; C329-H331 VanDerWaalsContact C-N 3.27Å
330N77.3Confident86.6Confident123 Ų12367.7 Ų67.766%0.65835%0.353SS*.  trans-88.810179.9-65.6-26.6000113.2N326N326-N330 PolarHBondContact O-ND2 3.24Å
331H59.7Low86.6Confident195 Ų19564.1 Ų64.190%0.90333%0.333SS*.  trans-1250179.4-57.6-58.7000109.9C329C329-H331 VanDerWaalsContact C-N 3.27Å

Retrieved 331 of 331 residues in 196 ms (Link to these results)

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