A0A5K4F2T1_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 A0A5K4F2T1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 340 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
1M56.1Low60Low210 Ų210137.6 Ų137.6100%1.03466%0.662SS**  0-350-144.2163.578.400114I3 R4M1-I3 PolarHBondContact O-N 3.48Å; M1-R4 PolarHBondContact O-N 3.48Å
2I58.7Low60.9Low134 Ų134136.6 Ų136.669%0.68766%0.655SS**Hα-helixtrans-63-41.1-175-64.6165.7000114R4 K5 L6I2-R4 VanDerWaalsContact C-N 3.32Å; I2-R4 PolarHBondContact O-N 2.93Å; I2-K5 PolarHBondContact O-N 3.35Å; I2-L6 HydrophobicContact CG2-CD1 4.23Å; I2-L6 PolarHBondContact O-N 3.47Å
3I58Low62.1Low131 Ų131140.5 Ų140.567%0.67266%0.659SS**Hα-helixtrans-63.4-34.1-177.5-62.9169000112.7M1 R7M1-I3 PolarHBondContact O-N 3.48Å; I3-R7 PolarHBondContact O-N 3.37Å
4R54.6Low63.5Low211 Ų211134.2 Ų134.280%0.79664%0.639SS**Hα-helixtrans-69.1-36.8177.5-76.8-172.3176.2-176.6-1.2112.3M1 I2 L8M1-R4 PolarHBondContact O-N 3.48Å; I2-R4 VanDerWaalsContact C-N 3.32Å; I2-R4 PolarHBondContact O-N 2.93Å; R4-L8 PolarHBondContact O-N 3.26Å
5K57.7Low65Low151 Ų151131.2 Ų131.266%0.65763%0.627SS**Hα-helixtrans-64.4-41.7176.7-99.5-173.5173.3-176.30112.2I2 L8 I9I2-K5 PolarHBondContact O-N 3.35Å; K5-L8 PolarHBondContact O-N 3.35Å; K5-I9 WeakPolarHBondContact O-CG1 3.37Å; K5-I9 PolarHBondContact O-N 3.43Å; K5-I9 VanDerWaalsContact O-N 3.11Å
6L58Low66.5Low114 Ų114128.9 Ų128.960%0.59762%0.618SS**Hα-helixtrans-64.4-41.5179.2-81.4157.4000112.7I2 I9 A10I2-L6 HydrophobicContact CG2-CD1 4.23Å; I2-L6 PolarHBondContact O-N 3.47Å; L6-I9 PolarHBondContact O-N 3.22Å; L6-A10 PolarHBondContact O-N 2.99Å
7R58.7Low67.7Low195 Ų195127.4 Ų127.474%0.73661%0.613SS**Hα-helixtrans-63.8-40175.9-77.4-172.4177.4-176-0.1112.6I3 A10 L11I3-R7 PolarHBondContact O-N 3.37Å; R7-A10 PolarHBondContact O-N 3.49Å; R7-L11 WeakPolarHBondContact O-CB 3.33Å; R7-L11 PolarHBondContact O-N 3.49Å
8L58.7Low68.9Low115 Ų115130.4 Ų130.460%0.60262%0.617SS**Hα-helixtrans-62.1-45.5175.6-92.8149.9000111.8R4 K5 A10 L11 Q12R4-L8 PolarHBondContact O-N 3.26Å; K5-L8 PolarHBondContact O-N 3.35Å; L8-A10 PolarHBondContact O-N 3.21Å; L8-L11 PolarHBondContact O-N 3.32Å; L8-Q12 WeakPolarHBondContact O-CB 3.36Å; L8-Q12 PolarHBondContact O-N 2.98Å
9I67.1Low70.1Confident81 Ų81128.4 Ų128.442%0.41561%0.609SS.*Hα-helixtrans-63.5-41.8178.2-64.8164.6000111.4K5 L6 Q12 R13K5-I9 WeakPolarHBondContact O-CG1 3.37Å; K5-I9 PolarHBondContact O-N 3.43Å; K5-I9 VanDerWaalsContact O-N 3.11Å; L6-I9 PolarHBondContact O-N 3.22Å; I9-Q12 PolarHBondContact O-N 3.03Å; I9-R13 WeakPolarHBondContact O-CG 3.37Å; I9-R13 PolarHBondContact O-N 3.38Å
10A63.8Low71.2Confident61 Ų61126.8 Ų126.850%0.50460%0.604SS.*Hα-helixtrans-64.6-41.817800000112.2L6 R7 L8 R13 S14L6-A10 PolarHBondContact O-N 2.99Å; R7-A10 PolarHBondContact O-N 3.49Å; L8-A10 PolarHBondContact O-N 3.21Å; A10-R13 PolarHBondContact O-N 3.01Å; A10-S14 PolarHBondContact O-N 3.44Å; A10-S14 VanDerWaalsContact O-N 3.1Å
11L68.3Low72.1Confident111 Ų111126 Ų12658%0.58160%0.602SS**Hα-helixtrans-64.8-41.8176-161.677.9000111.3R7 L8 S14 I15R7-L11 WeakPolarHBondContact O-CB 3.33Å; R7-L11 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.32Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.35Å; L11-I15 HydrophobicContact CG-CD1 4.36Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.05Å
12Q70.5Confident73.9Confident125 Ų125121.5 Ų121.558%0.58458%0.582SS**Hα-helixtrans-64.8-41.5179.3-143.9174.41.200111.8L8 I9 S14 I15 I16L8-Q12 WeakPolarHBondContact O-CB 3.36Å; L8-Q12 PolarHBondContact O-N 2.98Å; I9-Q12 PolarHBondContact O-N 3.03Å; Q12-S14 VanDerWaalsContact C-N 3.35Å; Q12-S14 PolarHBondContact O-N 3.02Å; Q12-I15 PolarHBondContact O-N 3.24Å; Q12-I16 WeakPolarHBondContact O-CG1 3.43Å; Q12-I16 PolarHBondContact O-N 3.02Å
13R76.5Confident75.5Confident187 Ų187120.3 Ų120.371%0.70658%0.577SS**Hα-helixtrans-62.7-39173.5-74.4-178.7177.4-170.8-1.2112.5I9 A10 L17I9-R13 WeakPolarHBondContact O-CG 3.37Å; I9-R13 PolarHBondContact O-N 3.38Å; A10-R13 PolarHBondContact O-N 3.01Å; R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 PolarHBondContact O-N 3.44Å
14S82.8Confident77Confident53 Ų53121.4 Ų121.437%0.37158%0.577SS.*Hα-helixtrans-64.4-41.6176.2-178.90000112.2A10 L11 Q12 R18A10-S14 PolarHBondContact O-N 3.44Å; A10-S14 VanDerWaalsContact O-N 3.1Å; L11-S14 WeakPolarHBondContact O-CB 3.37Å; L11-S14 PolarHBondContact O-N 3.35Å; Q12-S14 VanDerWaalsContact C-N 3.35Å; Q12-S14 PolarHBondContact O-N 3.02Å; S14-R18 VanDerWaalsContact O-CG 3.31Å; S14-R18 WeakPolarHBondContact O-CG 3.37Å; S14-R18 PolarHBondContact O-N 2.96Å
15I86Confident78.7Confident89 Ų89114.1 Ų114.146%0.45656%0.562SS.*Hα-helixtrans-66.2-46.3177.5-67166.1000110.9L11 Q12 L17 R18 I19L11-I15 HydrophobicContact CG-CD1 4.36Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.05Å; Q12-I15 PolarHBondContact O-N 3.24Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.38Å; I15-R18 PolarHBondContact O-N 3.11Å; I15-I19 HydrophobicContact CG2-CD1 3.88Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 3.38Å
16I88.2Confident80.3Confident94 Ų94111.5 Ų111.548%0.48255%0.554SS.*Hα-helixtrans-60.2-44.4178.3-68167.1000110.7Q12 R18 I19 I20Q12-I16 WeakPolarHBondContact O-CG1 3.43Å; Q12-I16 PolarHBondContact O-N 3.02Å; I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 PolarHBondContact O-N 3.26Å; I16-I19 PolarHBondContact O-N 3.35Å; I16-I20 HydrophobicContact CG2-CD1 3.86Å; I16-I20 HydrophobicContact CG2-CG1 4.48Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.25Å
17L87.8Confident81.7Confident104 Ų104108.8 Ų108.855%0.54555%0.548SS..Hα-helixtrans-62-40.9177.7-174.864.6000112.1R13 I15 I20 L21R13-L17 WeakPolarHBondContact O-CB 3.44Å; R13-L17 PolarHBondContact O-N 3.44Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.38Å; L17-I20 PolarHBondContact O-N 3.44Å; L17-L21 HydrophobicContact CG-CD1 4.22Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.01Å
18R89.4Confident83Confident182 Ų182104.2 Ų104.269%0.68754%0.538SS*.Hα-helixtrans-63.8-39.9176-74.5175-179.4-124.5-0.8112.3S14 I15 I16 L21 L22S14-R18 VanDerWaalsContact O-CG 3.31Å; S14-R18 WeakPolarHBondContact O-CG 3.37Å; S14-R18 PolarHBondContact O-N 2.96Å; I15-R18 PolarHBondContact O-N 3.11Å; I16-R18 VanDerWaalsContact C-N 3.34Å; I16-R18 PolarHBondContact O-N 3.26Å; R18-L21 PolarHBondContact O-N 3.47Å; R18-L22 WeakPolarHBondContact O-CB 3.36Å; R18-L22 PolarHBondContact O-N 3.49Å
19I91.8Very high84.2Confident91 Ų91102 Ų10247%0.46753%0.531SS..Hα-helixtrans-64.5-45176.3-67.7167.8000110.5I15 I16 L21 L22 L23I15-I19 HydrophobicContact CG2-CD1 3.88Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 3.38Å; I16-I19 PolarHBondContact O-N 3.35Å; I19-L21 PolarHBondContact O-N 3.01Å; I19-L22 PolarHBondContact O-N 3.38Å; I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.44Å; I19-L23 WeakPolarHBondContact O-CG 3.31Å; I19-L23 PolarHBondContact O-N 3.06Å
20I91.4Very high85Confident97 Ų97105.5 Ų105.550%0.49754%0.54SS..Hα-helixtrans-60.9-45.7178.1-67.7168.3000111I16 L17 L22 L23 F24I16-I20 HydrophobicContact CG2-CD1 3.86Å; I16-I20 HydrophobicContact CG2-CG1 4.48Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.25Å; L17-I20 PolarHBondContact O-N 3.44Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3.1Å; I20-F24 PolarHBondContact O-N 3.3Å
21L90.5Very high85.8Confident110 Ų110109.4 Ų109.458%0.57655%0.548SS*.Hα-helixtrans-62.8-38.4177.6-73168.5000112.2L17 R18 I19 F24 A25L17-L21 HydrophobicContact CG-CD1 4.22Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.01Å; R18-L21 PolarHBondContact O-N 3.47Å; I19-L21 PolarHBondContact O-N 3.01Å; L21-F24 PolarHBondContact O-N 2.91Å; L21-A25 PolarHBondContact O-N 3.43Å
22L92.7Very high86.2Confident116 Ų116109.1 Ų109.161%0.60755%0.546SS*.Hα-helixtrans-65.9-44.8177.1-157.487.8000111.6R18 I19 I20 F24 A25 I26R18-L22 WeakPolarHBondContact O-CB 3.36Å; R18-L22 PolarHBondContact O-N 3.49Å; I19-L22 PolarHBondContact O-N 3.38Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.99Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.24Å; L22-A25 PolarHBondContact O-N 3.03Å; L22-I26 HydrophobicContact CD2-CD1 4.44Å; L22-I26 HydrophobicContact CG-CD1 4.42Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.19Å; L22-I26 PolarHBondContact O-N 3.43Å
23L93.6Very high86.5Confident109 Ų109107.9 Ų107.957%0.57154%0.543SS*.Hα-helixtrans-62.4-39176.6-70.3172.9000111.7I19 I20 I26 A27I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.44Å; I19-L23 WeakPolarHBondContact O-CG 3.31Å; I19-L23 PolarHBondContact O-N 3.06Å; I20-L23 PolarHBondContact O-N 3.1Å; L23-I26 PolarHBondContact O-N 2.91Å; L23-A27 PolarHBondContact O-N 3Å
24F89.7Confident86.3Confident154 Ų154102.4 Ų102.468%0.67553%0.527SS*.Hα-helixtrans-65.3-40.4176.2-152.6-93.3000112I20 L21 L22 A27 L28I20-F24 PolarHBondContact O-N 3.3Å; L21-F24 PolarHBondContact O-N 2.91Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.24Å; F24-A27 PolarHBondContact O-N 3.36Å; F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 PolarHBondContact O-N 3.03Å
25A88.9Confident85.4Confident58 Ų58101.7 Ų101.748%0.47953%0.527SS..Hα-helixtrans-65.1-38175.800000112.6L21 L22 S29L21-A25 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 3.03Å; A25-S29 PolarHBondContact O-N 2.91Å; A25-S29 PolarHBondContact O-OG 2.98Å
26I91.3Very high84.4Confident95 Ų95102.3 Ų102.349%0.48754%0.535SS..Hα-helixtrans-67.7-42.2175.6-66165000111.1L22 L23 S29 Y30L22-I26 HydrophobicContact CD2-CD1 4.44Å; L22-I26 HydrophobicContact CG-CD1 4.42Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.19Å; L22-I26 PolarHBondContact O-N 3.43Å; L23-I26 PolarHBondContact O-N 2.91Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 PolarHBondContact O-OG 2.98Å; I26-Y30 WeakPolarHBondContact O-CB 3.36Å; I26-Y30 PolarHBondContact O-N 3.4Å
27A87.5Confident82.9Confident57 Ų57106.8 Ų106.847%0.47155%0.547SS..Hα-helixtrans-64.5-41.1176.600000111.8L23 F24 Y30 H31L23-A27 PolarHBondContact O-N 3Å; F24-A27 PolarHBondContact O-N 3.36Å; A27-Y30 PolarHBondContact O-N 3.38Å; A27-H31 PolarHBondContact O-N 3.43Å
28L87Confident81.2Confident100 Ų100106 Ų10652%0.52455%0.547SS..Hα-helixtrans-65.5-42.3178-167.472.1000111.8F24 Y30 H31 I32F24-L28 WeakPolarHBondContact O-CB 3.42Å; F24-L28 PolarHBondContact O-N 3.03Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-H31 PolarHBondContact O-N 2.98Å; L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 2.87Å
29S83.6Confident79.2Confident67 Ų67102.3 Ų102.347%0.46954%0.544SS..Hα-helixtrans-66-37.3176.662.70000112A25 I26 I32 L33A25-S29 PolarHBondContact O-N 2.91Å; A25-S29 PolarHBondContact O-OG 2.98Å; I26-S29 PolarHBondContact O-N 3.24Å; I26-S29 PolarHBondContact O-OG 2.98Å; S29-I32 PolarHBondContact O-N 3.47Å; S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 3.01Å
30Y83.9Confident76.9Confident156 Ų156105.1 Ų105.161%0.61256%0.56SS**Hα-helixtrans-65.5-40175.2-153.6-102.7000112.2I26 A27 L28 L33 I34I26-Y30 WeakPolarHBondContact O-CB 3.36Å; I26-Y30 PolarHBondContact O-N 3.4Å; A27-Y30 PolarHBondContact O-N 3.38Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-L33 PolarHBondContact O-N 3.37Å; Y30-I34 HydrophobicContact CD1-CD1 3.53Å; Y30-I34 HydrophobicContact CD1-CG1 4.23Å; Y30-I34 HydrophobicContact CE1-CD1 3.58Å; Y30-I34 HydrophobicContact CE1-CG1 4.24Å; Y30-I34 WeakPolarHBondContact O-CG1 3.4Å; Y30-I34 PolarHBondContact O-N 3.03Å
31H80Confident74.7Confident143 Ų143108.6 Ų108.666%0.66257%0.574SS**Hα-helixtrans-67.3-39.6175.5-107.9-22.8000113.1A27 L28 L33 G35A27-H31 PolarHBondContact O-N 3.43Å; L28-H31 PolarHBondContact O-N 2.98Å; H31-L33 VanDerWaalsContact C-N 3.31Å; H31-G35 PolarHBondContact O-N 3.29Å
32I78Confident72.4Confident104 Ų104107.3 Ų107.353%0.53357%0.573SS.*Hα-helixtrans-62.7-42.7172.8-67.5166.2000109.7L28 S29 G35 V36L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 2.87Å; S29-I32 PolarHBondContact O-N 3.47Å; I32-G35 PolarHBondContact O-N 3.23Å; I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 VanDerWaalsContact O-CG2 3.23Å; I32-V36 WeakPolarHBondContact O-CG2 3.45Å; I32-V36 PolarHBondContact O-N 2.95Å
33L75.4Confident69.9Low99 Ų99108.3 Ų108.352%0.51858%0.579SS.*Hα-helixtrans-61.3-50.1178.2-144.690.8000111.4S29 Y30 H31 G35 V36 Y37S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 3.01Å; Y30-L33 PolarHBondContact O-N 3.37Å; H31-L33 VanDerWaalsContact C-N 3.31Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 3.05Å; L33-V36 PolarHBondContact O-N 3.07Å; L33-Y37 HydrophobicContact CD2-CD2 4.39Å; L33-Y37 HydrophobicContact CD2-CE2 3.92Å; L33-Y37 HydrophobicContact CG-CD2 4.2Å; L33-Y37 HydrophobicContact CG-CE2 3.93Å; L33-Y37 WeakPolarHBondContact O-CD2 3.23Å; L33-Y37 PolarHBondContact O-N 2.88Å
34I72.3Confident67.6Low73 Ų73107.3 Ų107.337%0.37458%0.577SS.*Hα-helixtrans-59.6-46176.5-66.9166.6000110.4Y30 V36 Y37 T38Y30-I34 HydrophobicContact CD1-CD1 3.53Å; Y30-I34 HydrophobicContact CD1-CG1 4.23Å; Y30-I34 HydrophobicContact CE1-CD1 3.58Å; Y30-I34 HydrophobicContact CE1-CG1 4.24Å; Y30-I34 WeakPolarHBondContact O-CG1 3.4Å; Y30-I34 PolarHBondContact O-N 3.03Å; I34-V36 PolarHBondContact O-N 3.45Å; I34-Y37 CarbonylContact O-C 3.6Å; I34-Y37 PolarHBondContact O-N 3.34Å; I34-T38 HydrophobicContact CG2-CG2 4.04Å; I34-T38 WeakPolarHBondContact O-CG2 3.31Å; I34-T38 PolarHBondContact O-N 3Å; I34-T38 PolarHBondContact O-OG1 3.01Å; I34-T38 VanDerWaalsContact O-OG1 3.07Å
35G63.6Low65.1Low37 Ų37107 Ų10738%0.38158%0.583SS.*Hα-helixtrans-59.3-35.317900000113.2H31 I32 L33 T38H31-G35 PolarHBondContact O-N 3.29Å; I32-G35 PolarHBondContact O-N 3.23Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 3.05Å; G35-T38 PolarHBondContact O-OG1 3.37Å
36V65.8Low62.7Low102 Ų102108.9 Ų108.962%0.61859%0.591SS**Hα-helixtrans-71.1-38.5173.8172.70000111.5I32 L33 I34I32-V36 HydrophobicContact CG2-CG2 4.43Å; I32-V36 VanDerWaalsContact O-CG2 3.23Å; I32-V36 WeakPolarHBondContact O-CG2 3.45Å; I32-V36 PolarHBondContact O-N 2.95Å; L33-V36 PolarHBondContact O-N 3.07Å; I34-V36 PolarHBondContact O-N 3.45Å
37Y56.8Low60.3Low188 Ų188110 Ų11074%0.73760%0.597SS**Hα-helixtrans-75-23.4177-81.3-72.3000114.1L33 I34L33-Y37 HydrophobicContact CD2-CD2 4.39Å; L33-Y37 HydrophobicContact CD2-CE2 3.92Å; L33-Y37 HydrophobicContact CG-CD2 4.2Å; L33-Y37 HydrophobicContact CG-CE2 3.93Å; L33-Y37 WeakPolarHBondContact O-CD2 3.23Å; L33-Y37 PolarHBondContact O-N 2.88Å; I34-Y37 CarbonylContact O-C 3.6Å; I34-Y37 PolarHBondContact O-N 3.34Å
38T52.5Low58.3Low87 Ų87111.4 Ų111.453%0.53460%0.603SS.*THydrogen-bonded Turntrans-91.57.4178.256.20000114I34 G35 N40I34-T38 HydrophobicContact CG2-CG2 4.04Å; I34-T38 WeakPolarHBondContact O-CG2 3.31Å; I34-T38 PolarHBondContact O-N 3Å; I34-T38 PolarHBondContact O-OG1 3.01Å; I34-T38 VanDerWaalsContact O-OG1 3.07Å; G35-T38 PolarHBondContact O-OG1 3.37Å; T38-N40 VanDerWaalsContact C-N 3.27Å; T38-N40 PolarHBondContact O-N 3.33Å
39V46.1Very low56.5Low105 Ų105114.5 Ų114.564%0.63662%0.62SS**SBendtrans-66.998.6162.8-176.30000105.9E41V39-E41 PolarHBondContact O-N 2.95Å
40N43.9Very low55.1Low150 Ų150119.6 Ų119.680%0.80263%0.634SS**  trans-53.5103.1172.5-71.6-31.2000108.1T38T38-N40 VanDerWaalsContact C-N 3.27Å; T38-N40 PolarHBondContact O-N 3.33Å
41E44.9Very low54.3Low170 Ų170117.6 Ų117.679%0.79464%0.64SS**  trans-61126.2162.6-81.7-173.815600106.8V39 D43V39-E41 PolarHBondContact O-N 2.95Å; E41-D43 PolarHBondContact O-N 3.29Å
42P43.8Very low54.6Low84 Ų84113.9 Ų113.955%0.54562%0.623SS.*  trans-59.8132176.323.4-30.5000108.8V44P42-V44 WeakPolarHBondContact O-CG2 3.2Å; P42-V44 PolarHBondContact O-N 2.9Å
43D40.4Very low55.5Low136 Ų136111.2 Ų111.273%0.72761%0.608SS**  trans-48.7103.2-175.9-150-17.1000111.3E41 N45E41-D43 PolarHBondContact O-N 3.29Å; D43-N45 PolarHBondContact O-N 2.86Å
44V44Very low56.5Low88 Ų88107.7 Ų107.753%0.53359%0.589SS.*THydrogen-bonded Turntrans-78.1-5.5-174-1690000111.5P42 C46 I47P42-V44 WeakPolarHBondContact O-CG2 3.2Å; P42-V44 PolarHBondContact O-N 2.9Å; V44-C46 PolarHBondContact O-N 3.34Å; V44-I47 HydrophobicContact CG1-CD1 4.4Å
45N36.9Very low57.8Low149 Ų149104.2 Ų104.280%0.79757%0.572SS**THydrogen-bonded Turntrans-84.93.1-171.7-80.6-28.7000116.1D43D43-N45 PolarHBondContact O-N 2.86Å
46C39Very low59.4Low97 Ų97102.5 Ų102.566%0.65555%0.554SS**  trans-105.451.1171.3-70.10000112V44 S48V44-C46 PolarHBondContact O-N 3.34Å; C46-S48 PolarHBondContact O-N 3.18Å; C46-S48 VanDerWaalsContact O-N 3.16Å
47I41.3Very low61Low119 Ų11997.7 Ų97.761%0.6152%0.524SS*.  trans-80.193.5164.8-56.7172.9000106.5V44 N49V44-I47 HydrophobicContact CG1-CD1 4.4Å; I47-N49 PolarHBondContact O-N 3.16Å
48S45.9Very low63Low86 Ų8688.7 Ų88.760%0.60149%0.489SS*.  trans-54.5124.315666.60000106.9C46 K50C46-S48 PolarHBondContact O-N 3.18Å; C46-S48 VanDerWaalsContact O-N 3.16Å; S48-K50 PolarHBondContact O-N 2.87Å
49N47.5Very low65.2Low165 Ų16584.6 Ų84.688%0.88246%0.464SS*.SBendtrans-61.9-0.9-178.2-98.6-13.1000114.6I47I47-N49 PolarHBondContact O-N 3.16Å
50K54.4Low67.6Low173 Ų17379.6 Ų79.675%0.75243%0.434SS*.SBendtrans-85.6134.3169.5-72.9-170.3176.3-175.40109.9S48 Q52S48-K50 PolarHBondContact O-N 2.87Å; K50-Q52 PolarHBondContact O-N 3.2Å
51P68Low70.2Confident114 Ų11473.4 Ų73.474%0.7440%0.402SS*.PPolyproline II helixtrans-56.4126.8170.324.3-31.5000109Q53P51-Q53 PolarHBondContact O-N 2.68Å
52Q87Confident72.6Confident65 Ų6566 Ų6630%0.30437%0.367SS..PPolyproline II helixtrans-65.5125.6178.3-169.8171.931.600109.5K50 N134 A135 L138K50-Q52 PolarHBondContact O-N 3.2Å; Q52-N134 PolarHBondContact NE2-OD1 3.3Å; Q52-A135 PolarHBondContact NE2-O 2.74Å; Q52-L138 VanDerWaalsContact CD-CG 3.44Å; Q52-L138 HydrophobicContact CG-CD1 4.17Å; Q52-L138 HydrophobicContact CG-CG 3.94Å; Q52-L138 VanDerWaalsContact NE2-CG 3.34Å
53Q95.3Very high75.2Confident48 Ų4862.1 Ų62.122%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-68.2137.4-179.2179176.1-1600110.2P51 V55 V137 L138 L238P51-Q53 PolarHBondContact O-N 2.68Å; Q53-V55 HydrophobicContact CG-CG2 4.48Å; Q53-V137 HydrophobicContact CB-CG1 4.37Å; Q53-V137 HydrophobicContact CB-CG2 4.26Å; Q53-V137 HydrophobicContact CG-CG1 4.25Å; Q53-L138 PolarHBondContact O-N 3.24Å; Q53-L238 PolarHBondContact NE2-O 2.77Å
54I97.6Very high77.9Confident25 Ų2556.2 Ų56.213%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-113.7128.5174.6-57.2178.8000109.9F56 I128 L138 F156 A159 K160I54-F56 HydrophobicContact CB-CE2 4.37Å; I54-F56 HydrophobicContact CG2-CD2 3.97Å; I54-F56 HydrophobicContact CG2-CE1 4.47Å; I54-F56 HydrophobicContact CG2-CE2 3.44Å; I54-F56 VanDerWaalsContact CG2-CE2 3.44Å; I54-F56 HydrophobicContact CG2-CZ 3.73Å; I54-I128 HydrophobicContact CG2-CD1 3.97Å; I54-L138 CarbonylContact C-O 3.59Å; I54-L138 WeakPolarHBondContact CA-O 3.5Å; I54-F156 HydrophobicContact CD1-CD1 3.9Å; I54-F156 HydrophobicContact CD1-CE1 3.75Å; I54-A159 HydrophobicContact CB-CB 4.34Å; I54-A159 WeakPolarHBondContact O-CA 3.17Å; I54-A159 VanDerWaalsContact O-CB 3.3Å; I54-A159 WeakPolarHBondContact O-CB 3.41Å; I54-K160 PolarHBondContact O-N 3.41Å
55V98.5Very high80.5Confident0 Ų052.2 Ų52.20%029%0.288CS..EExtended strand (participates in β ladder)trans-112124.7174.6-1780000109.6Q53 V137 L138 C139 N140 K160 V162 L238Q53-V55 HydrophobicContact CG-CG2 4.48Å; V55-V137 HydrophobicContact CG2-CG1 3.65Å; V55-L138 PolarHBondContact N-O 2.89Å; V55-C139 HydrophobicContact CB-CB 4.18Å; V55-C139 CarbonylContact O-C 3.47Å; V55-C139 WeakPolarHBondContact O-CA 3.31Å; V55-N140 PolarHBondContact O-N 2.94Å; V55-K160 CarbonylContact C-O 3.57Å; V55-K160 WeakPolarHBondContact CA-O 3.33Å; V55-K160 HydrophobicContact CG2-CB 4.48Å; V55-V162 HydrophobicContact CG1-CG2 4.02Å; V55-L238 HydrophobicContact CG1-CD2 3.95Å; V55-L238 HydrophobicContact CG2-CD2 3.77Å
56F98.6Very high83.3Confident1 Ų145.2 Ų45.20%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-103126.9171.9-67.5-88.6000110I54 I124 I128 N140 F146 L152 F156 A159 K160 F161 V162I54-F56 HydrophobicContact CB-CE2 4.37Å; I54-F56 HydrophobicContact CG2-CD2 3.97Å; I54-F56 HydrophobicContact CG2-CE1 4.47Å; I54-F56 HydrophobicContact CG2-CE2 3.44Å; I54-F56 VanDerWaalsContact CG2-CE2 3.44Å; I54-F56 HydrophobicContact CG2-CZ 3.73Å; F56-I124 HydrophobicContact CE1-CG2 4.38Å; F56-I124 HydrophobicContact CZ-CG2 4.35Å; F56-I128 HydrophobicContact CE1-CD1 3.78Å; F56-I128 HydrophobicContact CZ-CD1 3.83Å; F56-N140 CarbonylContact C-O 3.5Å; F56-N140 WeakPolarHBondContact CA-O 3.5Å; F56-N140 HydrophobicContact CD1-CB 3.96Å; F56-N140 HydrophobicContact CE1-CB 4.11Å; F56-F146 HydrophobicContact CB-CE2 3.97Å; F56-F146 WeakPolarHBondContact O-CZ 3.4Å; F56-L152 HydrophobicContact CE1-CD2 4.26Å; F56-L152 HydrophobicContact CZ-CD2 4.25Å; F56-F156 HydrophobicContact CE2-CB 4.26Å; F56-F156 AromaticContact CE2-CD2 3.93Å; F56-F156 HydrophobicContact CE2-CD2 3.93Å; F56-F156 HydrophobicContact CE2-CE2 4.47Å; F56-F156 HydrophobicContact CE2-CG 4.01Å; F56-F156 AromaticContact CZ-CD2 3.8Å; F56-F156 HydrophobicContact CZ-CD2 3.8Å; F56-F156 AromaticContact CZ-CE2 3.89Å; F56-F156 HydrophobicContact CZ-CE2 3.89Å; F56-F156 HydrophobicContact CZ-CG 4.22Å; F56-F156 HydrophobicContact CZ-CZ 4.33Å; F56-A159 HydrophobicContact CD2-CB 3.96Å; F56-A159 HydrophobicContact CE2-CB 3.87Å; F56-K160 PolarHBondContact N-O 2.93Å; F56-F161 HydrophobicContact CB-CD1 3.66Å; F56-F161 HydrophobicContact CB-CE1 3.9Å; F56-F161 HydrophobicContact CD2-CD1 4.1Å; F56-F161 AromaticContact CD2-CE1 3.52Å; F56-F161 HydrophobicContact CD2-CE1 3.52Å; F56-F161 HydrophobicContact CD2-CZ 4.13Å; F56-F161 HydrophobicContact CE2-CE1 4.32Å; F56-F161 HydrophobicContact CG-CD1 4.23Å; F56-F161 AromaticContact CG-CE1 3.94Å; F56-F161 HydrophobicContact CG-CE1 3.94Å; F56-F161 WeakPolarHBondContact O-CA 3.31Å; F56-V162 PolarHBondContact O-N 2.76Å
57I98.7Very high86.1Confident1 Ų141.5 Ų41.51%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-105126.6172.4-53.5168.5000108T65 M68 R69 L72 C139 N140 K141 D142 V162 M164I57-T65 HydrophobicContact CG2-CG2 4.28Å; I57-M68 HydrophobicContact CD1-CG 4.11Å; I57-M68 HydrophobicContact CG1-CG 4.48Å; I57-M68 HydrophobicContact CG2-CB 4.26Å; I57-M68 HydrophobicContact CG2-CG 4.07Å; I57-R69 HydrophobicContact CD1-CB 3.88Å; I57-L72 HydrophobicContact CD1-CD1 4.01Å; I57-L72 HydrophobicContact CG1-CD1 4.49Å; I57-C139 WeakPolarHBondContact CD1-SG 3.49Å; I57-N140 PolarHBondContact N-O 3.36Å; I57-K141 HydrophobicContact CB-CB 4.02Å; I57-K141 HydrophobicContact CB-CG 3.96Å; I57-K141 HydrophobicContact CD1-CB 4.34Å; I57-K141 HydrophobicContact CG2-CG 4.02Å; I57-K141 WeakPolarHBondContact O-CA 3.45Å; I57-D142 PolarHBondContact O-N 3.19Å; I57-V162 WeakPolarHBondContact CA-O 3.39Å; I57-V162 HydrophobicContact CG1-CB 4.39Å; I57-M164 HydrophobicContact CG2-CG 4.21Å
58G98.4Very high88.8Confident0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-156.4-166.817400000114.1F146 V162 M164G58-F146 VanDerWaalsContact CA-CE2 3.48Å; G58-V162 PolarHBondContact N-O 3.35Å; G58-M164 PolarHBondContact O-N 3.04Å
59G98.2Very high91.3Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans137-169.7-167.800000110.9P143G59-P143 PolarHBondContact N-O 3.43Å; G59-P143 VanDerWaalsContact N-O 3.11Å; G59-P143 CarbonylContact O-C 3.59Å; G59-P143 WeakPolarHBondContact O-CA 3.34Å; G59-P143 WeakPolarHBondContact O-CB 3.49Å
60Y97.8Very high93.6Very high1 Ų124 Ų240%0.00413%0.125CC..SBendtrans-76.8139.7177.7-158.8-90.6000110.8R62 S63 V171 L175 I182 E185 W196 R199 V200Y60-R62 PolarHBondContact O-N 3.31Å; Y60-S63 WeakPolarHBondContact O-CB 3.5Å; Y60-S63 PolarHBondContact O-N 3.47Å; Y60-S63 VanDerWaalsContact O-N 3.1Å; Y60-S63 PolarHBondContact O-OG 3.22Å; Y60-V171 HydrophobicContact CD1-CG1 3.65Å; Y60-V171 HydrophobicContact CE1-CG1 3.98Å; Y60-L175 HydrophobicContact CE1-CD1 3.97Å; Y60-I182 HydrophobicContact CD1-CD1 4.46Å; Y60-I182 HydrophobicContact CE1-CD1 3.59Å; Y60-E185 PolarHBondContact OH-OE1 2.96Å; Y60-E185 PolarHBondContact OH-OE2 3.35Å; Y60-W196 AromaticContact CD1-CD1 3.69Å; Y60-W196 HydrophobicContact CD2-CB 4.47Å; Y60-W196 HydrophobicContact CE1-CB 4.22Å; Y60-W196 HydrophobicContact CE2-CB 4.19Å; Y60-W196 AromaticContact CG-CD1 3.67Å; Y60-R199 HydrophobicContact CD2-CB 3.97Å; Y60-R199 HydrophobicContact CE2-CB 4.13Å; Y60-R199 HydrophobicContact CE2-CG 4.46Å; Y60-V200 HydrophobicContact CD2-CG2 4.44Å; Y60-V200 HydrophobicContact CG-CG2 4.41Å
61P97.1Very high95.6Very high20 Ų2015.8 Ų15.813%0.139%0.089CC..THydrogen-bonded Turntrans-51138.2175.7-28.135.7000111.7P143 L144 I182P61-P143 HydrophobicContact CG-CB 4.33Å; P61-L144 HydrophobicContact CG-CD1 4.4Å; P61-L144 HydrophobicContact CG-CD2 3.97Å; P61-L144 HydrophobicContact CG-CG 4.05Å; P61-I182 HydrophobicContact CB-CD1 3.85Å; P61-I182 HydrophobicContact CB-CG1 4.19Å; P61-I182 HydrophobicContact CG-CD1 3.71Å; P61-I182 HydrophobicContact CG-CG1 4.07Å
62R96.6Very high97Very high15 Ų1510.3 Ų10.36%0.0575%0.054CC..THydrogen-bonded Turntrans77.87.6-174.5-46.1-58.9-59.3160.54.7116.6Y60 G64 R166 V171 S174 L175 R178 S264Y60-R62 PolarHBondContact O-N 3.31Å; R62-G64 VanDerWaalsContact C-N 3.32Å; R62-G64 PolarHBondContact O-N 3.11Å; R62-R166 WeakPolarHBondContact O-CD 3.45Å; R62-R166 PolarHBondContact O-NH1 3.33Å; R62-R166 VanDerWaalsContact O-NH1 3.17Å; R62-V171 HydrophobicContact CB-CG1 4.39Å; R62-S174 PolarHBondContact NE-OG 2.83Å; R62-S174 PolarHBondContact NH2-OG 2.94Å; R62-L175 HydrophobicContact CG-CD2 3.46Å; R62-L175 VanDerWaalsContact CG-CD2 3.46Å; R62-L175 HydrophobicContact CG-CG 3.89Å; R62-R178 VanDerWaalsContact NH2-CD 3.33Å; R62-S264 PolarHBondContact NH1-OG 3.27Å
63S97.9Very high97.4Very high1 Ų18.7 Ų8.71%0.0075%0.048CC..SBendtrans-81.94.6173.860.20000115.7Y60 M164Y60-S63 WeakPolarHBondContact O-CB 3.5Å; Y60-S63 PolarHBondContact O-N 3.47Å; Y60-S63 VanDerWaalsContact O-N 3.1Å; Y60-S63 PolarHBondContact O-OG 3.22Å; S63-M164 PolarHBondContact OG-O 3.19Å
64G97.5Very high97.5Very high12 Ų127.3 Ų7.312%0.1244%0.042CC..SBendtrans97.17.5-17900000115.3R62 T66 L67 M68R62-G64 VanDerWaalsContact C-N 3.32Å; R62-G64 PolarHBondContact O-N 3.11Å; G64-T66 VanDerWaalsContact C-N 3.31Å; G64-T66 PolarHBondContact O-N 3.44Å; G64-L67 WeakPolarHBondContact O-CB 3.4Å; G64-L67 PolarHBondContact O-N 2.85Å; G64-M68 PolarHBondContact O-N 3.08Å
65T97.9Very high97.4Very high4 Ų46.5 Ų6.53%0.0254%0.038CC..Hα-helixtrans-54.9-38.9175.652.50000114.2I57 R69 P143 M164I57-T65 HydrophobicContact CG2-CG2 4.28Å; T65-R69 VanDerWaalsContact O-CB 3.27Å; T65-R69 WeakPolarHBondContact O-CB 3.42Å; T65-R69 PolarHBondContact O-N 3.03Å; T65-P143 HydrophobicContact CG2-CB 4.27Å; T65-P143 HydrophobicContact CG2-CG 4.25Å; T65-P143 WeakPolarHBondContact OG1-CG 3.46Å; T65-M164 HydrophobicContact CG2-CB 3.84Å; T65-M164 HydrophobicContact CG2-CG 4.06Å
66T96.9Very high97.3Very high3 Ų311 Ų112%0.0187%0.067CC..Hα-helixtrans-65.7-41.5175.1-51.80000111.6G64 R69 V70 E262 S264 V268G64-T66 VanDerWaalsContact C-N 3.31Å; G64-T66 PolarHBondContact O-N 3.44Å; T66-R69 PolarHBondContact O-N 3.37Å; T66-V70 HydrophobicContact CG2-CG2 4.33Å; T66-V70 WeakPolarHBondContact O-CB 3.49Å; T66-V70 VanDerWaalsContact O-CG2 3.22Å; T66-V70 WeakPolarHBondContact O-CG2 3.38Å; T66-V70 PolarHBondContact O-N 2.84Å; T66-E262 VanDerWaalsContact CG2-OE2 3.32Å; T66-E262 WeakPolarHBondContact CG2-OE2 3.48Å; T66-E262 PolarHBondContact OG1-OE2 3Å; T66-S264 WeakPolarHBondContact OG1-CB 3.35Å; T66-S264 PolarHBondContact OG1-OG 3.26Å; T66-V268 HydrophobicContact CG2-CG1 3.94Å; T66-V268 HydrophobicContact CG2-CG2 4.01Å
67L97.3Very high97.2Very high19 Ų1914.1 Ų14.110%0.0998%0.083CC..Hα-helixtrans-61.6-52.3177.1176.661.9000109.7G64 R69 V70 L71 Y220 L223 V224 V268G64-L67 WeakPolarHBondContact O-CB 3.4Å; G64-L67 PolarHBondContact O-N 2.85Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.32Å; L67-V70 PolarHBondContact O-N 3.48Å; L67-L71 HydrophobicContact CD1-CD1 4.12Å; L67-L71 HydrophobicContact CD1-CD2 4.29Å; L67-L71 HydrophobicContact CD1-CG 4.07Å; L67-L71 HydrophobicContact CG-CD1 3.91Å; L67-L71 HydrophobicContact CG-CG 4.29Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 2.93Å; L67-Y220 HydrophobicContact CD2-CE2 4.06Å; L67-L223 HydrophobicContact CD2-CD2 4.34Å; L67-V224 HydrophobicContact CD2-CG1 3.89Å; L67-V268 HydrophobicContact CB-CG1 4.22Å
68M98.3Very high97.1Very high0 Ų014.4 Ų14.40%08%0.084CC..Hα-helixtrans-54.8-46.2177.1-179.353.374.600112.3I57 G64 V70 L71 L72 V162 M164 I218 L223 L234I57-M68 HydrophobicContact CD1-CG 4.11Å; I57-M68 HydrophobicContact CG1-CG 4.48Å; I57-M68 HydrophobicContact CG2-CB 4.26Å; I57-M68 HydrophobicContact CG2-CG 4.07Å; G64-M68 PolarHBondContact O-N 3.08Å; M68-V70 VanDerWaalsContact C-N 3.32Å; M68-V70 PolarHBondContact O-N 3.4Å; M68-L71 PolarHBondContact O-N 2.9Å; M68-L72 PolarHBondContact O-N 2.91Å; M68-L72 HydrophobicContact SD-CD1 4.4Å; M68-L72 HydrophobicContact SD-CD2 4.49Å; M68-L72 HydrophobicContact SD-CG 4.11Å; M68-V162 HydrophobicContact CE-CG1 4.39Å; M68-V162 HydrophobicContact CG-CG1 4.08Å; M68-M164 HydrophobicContact CB-CE 4.47Å; M68-M164 HydrophobicContact CB-CG 4.04Å; M68-M164 HydrophobicContact CB-SD 3.81Å; M68-M164 HydrophobicContact CE-CE 4.25Å; M68-M164 HydrophobicContact CE-SD 3.63Å; M68-M164 HydrophobicContact CG-CG 4.37Å; M68-M164 HydrophobicContact CG-SD 3.88Å; M68-I218 HydrophobicContact CE-CD1 3.87Å; M68-I218 HydrophobicContact CE-CG2 4.4Å; M68-L223 HydrophobicContact CE-CD1 4.15Å; M68-L223 HydrophobicContact CE-CD2 3.74Å; M68-L234 HydrophobicContact CE-CD2 3.62Å; M68-L234 HydrophobicContact SD-CD2 3.33Å; M68-L234 WeakPolarHBondContact SD-CD2 3.48Å
69R97.4Very high97Very high2 Ų215.6 Ų15.61%0.0089%0.089CC..Hα-helixtrans-56.7-46.5175.7171.7-11196.5141.5-2.8111.8I57 T65 T66 L67 L72 D73 C80 G81 K141 S257I57-R69 HydrophobicContact CD1-CB 3.88Å; T65-R69 VanDerWaalsContact O-CB 3.27Å; T65-R69 WeakPolarHBondContact O-CB 3.42Å; T65-R69 PolarHBondContact O-N 3.03Å; T66-R69 PolarHBondContact O-N 3.37Å; L67-R69 VanDerWaalsContact C-N 3.3Å; L67-R69 PolarHBondContact O-N 3.32Å; R69-L72 PolarHBondContact O-N 2.99Å; R69-D73 IonicContact CZ-OD2 3.41Å; R69-D73 IonicContact NH2-OD2 2.77Å; R69-D73 PolarHBondContact NH2-OD2 2.78Å; R69-D73 WeakPolarHBondContact O-CB 3.29Å; R69-D73 PolarHBondContact O-N 2.97Å; R69-C80 HydrophobicContact CG-CB 3.62Å; R69-G81 VanDerWaalsContact CD-O 3.25Å; R69-G81 WeakPolarHBondContact CD-O 3.39Å; R69-G81 WeakPolarHBondContact CG-O 3.36Å; R69-K141 HydrophobicContact CB-CB 3.84Å; R69-K141 HydrophobicContact CB-CG 3.91Å; R69-K141 HydrophobicContact CG-CB 3.83Å; R69-K141 HydrophobicContact CG-CG 4.36Å; R69-S257 PolarHBondContact NH1-O 2.99Å; R69-S257 PolarHBondContact NH2-O 3.15Å
70V96.2Very high96.7Very high0 Ų015.8 Ų15.80%09%0.09CC..Hα-helixtrans-65.2-42179.7169.10000111.7T66 L67 M68 L72 D73 V74 H249 I253 L258 V268T66-V70 HydrophobicContact CG2-CG2 4.33Å; T66-V70 WeakPolarHBondContact O-CB 3.49Å; T66-V70 VanDerWaalsContact O-CG2 3.22Å; T66-V70 WeakPolarHBondContact O-CG2 3.38Å; T66-V70 PolarHBondContact O-N 2.84Å; L67-V70 PolarHBondContact O-N 3.48Å; M68-V70 VanDerWaalsContact C-N 3.32Å; M68-V70 PolarHBondContact O-N 3.4Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 3.08Å; V70-D73 PolarHBondContact O-N 2.84Å; V70-V74 PolarHBondContact O-N 3.12Å; V70-H249 HydrophobicContact CG1-CB 4.17Å; V70-I253 HydrophobicContact CG1-CD1 3.12Å; V70-I253 HydrophobicContact CG1-CG1 3.84Å; V70-L258 HydrophobicContact CG2-CD2 3.98Å; V70-V268 HydrophobicContact CG2-CB 4.15Å; V70-V268 HydrophobicContact CG2-CG2 3.94Å
71L97.3Very high96.2Very high0 Ų016.3 Ų16.30%010%0.095CC..Hα-helixtrans-62.9-37.6177.8-63.4172.1000112.1L67 M68 V74 L223 L231 V246 H249 I272L67-L71 HydrophobicContact CD1-CD1 4.12Å; L67-L71 HydrophobicContact CD1-CD2 4.29Å; L67-L71 HydrophobicContact CD1-CG 4.07Å; L67-L71 HydrophobicContact CG-CD1 3.91Å; L67-L71 HydrophobicContact CG-CG 4.29Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.32Å; L67-L71 PolarHBondContact O-N 2.93Å; M68-L71 PolarHBondContact O-N 2.9Å; L71-V74 VanDerWaalsContact O-CG2 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.21Å; L71-L223 HydrophobicContact CD1-CD1 4.3Å; L71-L223 HydrophobicContact CD1-CD2 4.18Å; L71-L231 HydrophobicContact CD1-CD1 4.29Å; L71-L231 HydrophobicContact CD1-CD2 4.21Å; L71-V246 WeakPolarHBondContact CD2-O 3.36Å; L71-V246 WeakPolarHBondContact O-CG1 3.37Å; L71-H249 HydrophobicContact CD2-CB 4.07Å; L71-H249 WeakPolarHBondContact CD2-ND1 2.99Å; L71-I272 HydrophobicContact CD1-CD1 4.22Å; L71-I272 HydrophobicContact CD2-CD1 3.89Å; L71-I272 HydrophobicContact CD2-CG1 4.25Å
72L97.3Very high96Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-75-39.4174.7-66.1-169000112.6I57 M68 R69 V70 V74 H75 I78 L234 F235 L238I57-L72 HydrophobicContact CD1-CD1 4.01Å; I57-L72 HydrophobicContact CG1-CD1 4.49Å; M68-L72 PolarHBondContact O-N 2.91Å; M68-L72 HydrophobicContact SD-CD1 4.4Å; M68-L72 HydrophobicContact SD-CD2 4.49Å; M68-L72 HydrophobicContact SD-CG 4.11Å; R69-L72 PolarHBondContact O-N 2.99Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 3.08Å; L72-V74 PolarHBondContact O-N 2.68Å; L72-H75 WeakPolarHBondContact O-CB 3.36Å; L72-H75 PolarHBondContact O-N 3.03Å; L72-I78 HydrophobicContact CB-CD1 4.22Å; L72-I78 HydrophobicContact CB-CG2 4.19Å; L72-I78 HydrophobicContact CD2-CD1 4.07Å; L72-I78 WeakPolarHBondContact O-CB 3.27Å; L72-L234 HydrophobicContact CD2-CD2 3.92Å; L72-F235 HydrophobicContact CD2-CE2 3.97Å; L72-F235 HydrophobicContact CD2-CZ 3.85Å; L72-L238 HydrophobicContact CD1-CD1 4.12Å; L72-L238 HydrophobicContact CD2-CD1 4.15Å
73D95.8Very high95.9Very high31 Ų3118.5 Ų18.517%0.16611%0.109CC..Hα-helixtrans-68.6-17.2-174.8-16261.2000114R69 V70 C80 G81R69-D73 IonicContact CZ-OD2 3.41Å; R69-D73 IonicContact NH2-OD2 2.77Å; R69-D73 PolarHBondContact NH2-OD2 2.78Å; R69-D73 WeakPolarHBondContact O-CB 3.29Å; R69-D73 PolarHBondContact O-N 2.97Å; V70-D73 PolarHBondContact O-N 2.84Å; D73-C80 HydrophobicContact CB-CB 4.16Å; D73-C80 PolarHBondContact OD1-N 3.4Å; D73-G81 PolarHBondContact OD1-N 3.47Å; D73-G81 VanDerWaalsContact OD1-N 3.08Å
74V95.7Very high95.6Very high19 Ų1920.4 Ų20.412%0.11512%0.12CC..THydrogen-bonded Turntrans-85-9.6172.4-630000113.2V70 L71 L72 I245 V246 H249 V252 I253V70-V74 PolarHBondContact O-N 3.12Å; L71-V74 VanDerWaalsContact O-CG2 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.21Å; L72-V74 PolarHBondContact O-N 2.68Å; V74-I245 WeakPolarHBondContact O-CG2 3.49Å; V74-V246 HydrophobicContact CG2-CG1 4.45Å; V74-H249 HydrophobicContact CG1-CB 3.96Å; V74-H249 HydrophobicContact CG2-CB 3.86Å; V74-V252 HydrophobicContact CG1-CB 4.26Å; V74-I253 HydrophobicContact CG1-CG1 3.95Å
75H96.7Very high95.4Very high8 Ų827.1 Ų27.14%0.03714%0.142CC..SBendtrans-74.3133.8178.2-173.4-85.9000110.7L72 M77 I78 F235 I240 P241 D243 V246L72-H75 WeakPolarHBondContact O-CB 3.36Å; L72-H75 PolarHBondContact O-N 3.03Å; H75-M77 PolarHBondContact ND1-N 2.88Å; H75-M77 VanDerWaalsContact ND1-N 3.16Å; H75-M77 PolarHBondContact O-N 3.44Å; H75-I78 HydrophobicContact CB-CB 4.31Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.14Å; H75-I78 PolarHBondContact O-N 2.68Å; H75-F235 HydrophobicContact CB-CE1 4.31Å; H75-F235 HydrophobicContact CB-CZ 4.13Å; H75-F235 AromaticContact CD2-CE1 3.23Å; H75-F235 WeakPolarHBondContact CD2-CE1 3.31Å; H75-F235 AromaticContact CD2-CZ 3.56Å; H75-F235 AromaticContact CG-CE1 3.65Å; H75-F235 AromaticContact CG-CZ 3.91Å; H75-F235 AromaticContact NE2-CE1 3.58Å; H75-I240 VanDerWaalsContact CE1-CG2 3.44Å; H75-I240 WeakPolarHBondContact CE1-CG2 3.4Å; H75-P241 PolarHBondContact NE2-O 3.36Å; H75-D243 VanDerWaalsContact CD2-CB 3.47Å; H75-D243 WeakPolarHBondContact CD2-CB 3.33Å; H75-D243 WeakPolarHBondContact NE2-CB 3.29Å; H75-V246 HydrophobicContact CB-CG1 4.04Å
76P95.7Very high95.4Very high95 Ų9529.7 Ų29.762%0.61716%0.157SC*.THydrogen-bonded Turntrans-58.4-22-173.4-27.435.2000116.1D243P76-D243 WeakPolarHBondContact CD-OD2 3.28Å; P76-D243 WeakPolarHBondContact CG-OD2 3.45Å
77M96.9Very high95.4Very high66 Ų6629.5 Ų29.533%0.32516%0.156SC..THydrogen-bonded Turntrans-96.8-8.5-179.8-62.1-178.363.700114.8H75 P136 V137 I240 P241H75-M77 PolarHBondContact ND1-N 2.88Å; H75-M77 VanDerWaalsContact ND1-N 3.16Å; H75-M77 PolarHBondContact O-N 3.44Å; M77-P136 HydrophobicContact CB-CB 4.38Å; M77-P136 HydrophobicContact CB-CG 4.3Å; M77-P136 HydrophobicContact CE-CB 4.02Å; M77-P136 HydrophobicContact CE-CG 4.37Å; M77-P136 HydrophobicContact CG-CG 4.47Å; M77-P136 WeakPolarHBondContact O-CD 3.39Å; M77-V137 WeakPolarHBondContact O-CB 3.35Å; M77-V137 PolarHBondContact O-N 3.41Å; M77-I240 HydrophobicContact CB-CG2 4.44Å; M77-I240 HydrophobicContact SD-CG2 4.2Å; M77-P241 HydrophobicContact SD-CG 4.21Å
78I96.8Very high95.3Very high7 Ų729.9 Ų29.94%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-120.3134.3-169.2-51.4172.9000110.1L72 H75 V137 C139 F235 I240L72-I78 HydrophobicContact CB-CD1 4.22Å; L72-I78 HydrophobicContact CB-CG2 4.19Å; L72-I78 HydrophobicContact CD2-CD1 4.07Å; L72-I78 WeakPolarHBondContact O-CB 3.27Å; H75-I78 HydrophobicContact CB-CB 4.31Å; H75-I78 HydrophobicContact CB-CD1 3.97Å; H75-I78 HydrophobicContact CB-CG1 4.14Å; H75-I78 PolarHBondContact O-N 2.68Å; I78-V137 WeakPolarHBondContact CA-O 3.37Å; I78-V137 HydrophobicContact CG1-CB 4.07Å; I78-V137 HydrophobicContact CG1-CG1 4.33Å; I78-V137 HydrophobicContact CG2-CG1 4.35Å; I78-C139 HydrophobicContact CG2-CB 4.05Å; I78-F235 HydrophobicContact CD1-CE1 3.93Å; I78-F235 HydrophobicContact CD1-CZ 4.16Å; I78-I240 HydrophobicContact CD1-CD1 3.62Å; I78-I240 HydrophobicContact CG1-CD1 3.84Å
79R95.4Very high95.3Very high25 Ų2536.3 Ų36.39%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-125.6119166.3177.9-110.940145.56.1109.9I128 E133 A135 V137 L138 C139R79-I128 PolarHBondContact NH1-O 3.03Å; R79-I128 PolarHBondContact NH2-O 3.49Å; R79-E133 WeakPolarHBondContact CD-O 3.39Å; R79-A135 HydrophobicContact CB-CB 3.74Å; R79-V137 PolarHBondContact N-O 3.03Å; R79-L138 CarbonylContact O-C 3.55Å; R79-C139 PolarHBondContact NH2-O 3.02Å; R79-C139 PolarHBondContact O-N 3.46Å
80C92.3Very high95.3Very high4 Ų437.2 Ų37.23%0.02719%0.192CC..  trans-101.3-43176.9-73.70000112.9R69 D73 C139R69-C80 HydrophobicContact CG-CB 3.62Å; D73-C80 HydrophobicContact CB-CB 4.16Å; D73-C80 PolarHBondContact OD1-N 3.4Å; C80-C139 CarbonylContact C-O 3.22Å; C80-C139 WeakPolarHBondContact CA-O 3.33Å; C80-C139 VanDerWaalsContact CA-SG 3.58Å; C80-C139 HydrophobicContact CB-CB 3.63Å; C80-C139 WeakPolarHBondContact CB-SG 3.25Å; C80-C139 WeakPolarHBondContact SG-CB 3.42Å; C80-C139 CovalentContact SG-SG 2.03Å; C80-C139 PolarHBondContact SG-SG 3.05Å
81G87.8Confident95.4Very high11 Ų1137.3 Ų37.311%0.11319%0.193CC..  trans61.1177.8-169.800000114.4R69 D73R69-G81 VanDerWaalsContact CD-O 3.25Å; R69-G81 WeakPolarHBondContact CD-O 3.39Å; R69-G81 WeakPolarHBondContact CG-O 3.36Å; D73-G81 PolarHBondContact OD1-N 3.47Å; D73-G81 VanDerWaalsContact OD1-N 3.08Å
82P92.5Very high95.4Very high47 Ų4741.2 Ų41.231%0.30521%0.214SC..SBendtrans-76.1171.6177.131.9-35.4000113.6T84 N259 E262P82-T84 PolarHBondContact O-N 3.38Å; P82-N259 HydrophobicContact CB-CB 3.51Å; P82-N259 HydrophobicContact CG-CB 4.1Å; P82-E262 WeakPolarHBondContact CA-OE1 3.39Å
83E94.3Very high95.4Very high35 Ų3544.6 Ų44.616%0.16423%0.231CC..  trans-53.8128173.9-97167.3-124.100112.4R85 K141 P143 E262E83-R85 HydrophobicContact CB-CG 4.14Å; E83-R85 IonicContact OE2-NH1 2.69Å; E83-R85 PolarHBondContact OE2-NH1 2.83Å; E83-K141 WeakPolarHBondContact CA-O 3.31Å; E83-K141 HydrophobicContact CG-CD 4Å; E83-K141 VanDerWaalsContact CG-NZ 3.25Å; E83-K141 WeakPolarHBondContact CG-O 3.42Å; E83-K141 IonicContact OE1-NZ 3.1Å; E83-K141 PolarHBondContact OE1-NZ 3.24Å; E83-P143 WeakPolarHBondContact OE1-CD 3.41Å; E83-E262 PolarHBondContact N-OE1 3.18Å
84T92.8Very high95.4Very high41 Ų4144 Ų4425%0.25223%0.227SC..  trans-78.6-33.2172.969.70000111.3P82 V86 I87 D142P82-T84 PolarHBondContact O-N 3.38Å; T84-V86 PolarHBondContact O-N 2.92Å; T84-V86 PolarHBondContact OG1-N 2.95Å; T84-I87 HydrophobicContact CG2-CD1 4.47Å; T84-I87 PolarHBondContact OG1-N 3.18Å; T84-D142 PolarHBondContact N-OD1 2.87Å; T84-D142 PolarHBondContact N-OD2 2.87Å; T84-D142 PolarHBondContact OG1-OD2 3.43Å
85R93.2Very high95.5Very high153 Ų15344.4 Ų44.458%0.57723%0.234SC*.SBendtrans57.47.4-169.6-47.5-175.361.572.4-1.3114.4E83 K89 D142E83-R85 HydrophobicContact CB-CG 4.14Å; E83-R85 IonicContact OE2-NH1 2.69Å; E83-R85 PolarHBondContact OE2-NH1 2.83Å; R85-K89 WeakPolarHBondContact O-CD 3.29Å; R85-K89 VanDerWaalsContact O-CE 3.3Å; R85-K89 WeakPolarHBondContact O-CE 3.47Å; R85-K89 WeakPolarHBondContact O-CG 3.41Å; R85-D142 WeakPolarHBondContact CA-OD1 3.42Å; R85-D142 PolarHBondContact N-OD1 3.26Å
86V96.5Very high95.5Very high57 Ų5749 Ų4935%0.34526%0.256SS..SBendtrans-95.5-42.9177.1179.60000109.6T84 K89 I90 F123 L127T84-V86 PolarHBondContact O-N 2.92Å; T84-V86 PolarHBondContact OG1-N 2.95Å; V86-K89 WeakPolarHBondContact O-CB 3.48Å; V86-K89 PolarHBondContact O-N 3.31Å; V86-I90 PolarHBondContact O-N 2.9Å; V86-F123 HydrophobicContact CG1-CE1 3.84Å; V86-F123 HydrophobicContact CG1-CZ 3.94Å; V86-L127 HydrophobicContact CB-CD1 3.93Å; V86-L127 HydrophobicContact CG1-CD1 3.59Å
87I97.1Very high95.5Very high0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-57.4-48.8-177.5-66.8169.7000112.3T84 K89 I90 L91 I124 L127 I128 N140T84-I87 HydrophobicContact CG2-CD1 4.47Å; T84-I87 PolarHBondContact OG1-N 3.18Å; I87-K89 PolarHBondContact O-N 3.43Å; I87-K89 VanDerWaalsContact O-N 3.17Å; I87-I90 WeakPolarHBondContact O-CG2 3.22Å; I87-I90 PolarHBondContact O-N 3.32Å; I87-L91 HydrophobicContact CG2-CD1 3.71Å; I87-L91 HydrophobicContact CG2-CG 4.28Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.42Å; I87-L91 PolarHBondContact O-N 2.88Å; I87-I124 HydrophobicContact CD1-CG2 4.01Å; I87-I124 HydrophobicContact CG1-CG1 4.41Å; I87-I124 HydrophobicContact CG1-CG2 4.24Å; I87-I124 HydrophobicContact CG2-CD1 4.36Å; I87-I124 HydrophobicContact CG2-CG1 4.46Å; I87-I124 HydrophobicContact CG2-CG2 4.48Å; I87-L127 HydrophobicContact CG1-CD1 4.06Å; I87-I128 HydrophobicContact CD1-CD1 4.38Å; I87-I128 HydrophobicContact CD1-CG1 4.02Å; I87-N140 HydrophobicContact CD1-CB 4.36Å; I87-N140 VanDerWaalsContact CD1-CG 3.48Å; I87-N140 WeakPolarHBondContact CD1-ND2 3.17Å; I87-N140 WeakPolarHBondContact CD1-OD1 3.46Å
88P96.5Very high95.4Very high26 Ų2647.6 Ų47.617%0.16924%0.242CC..Hα-helixtrans-57.5-33.6174.9-2633.1000113.9N92 D142 S145P88-N92 WeakPolarHBondContact O-CB 3.5Å; P88-N92 PolarHBondContact O-N 2.89Å; P88-D142 HydrophobicContact CG-CB 3.74Å; P88-S145 WeakPolarHBondContact CG-OG 3.39Å
89K97.1Very high95.4Very high135 Ų13554.7 Ų54.759%0.58727%0.273SS*.Hα-helixtrans-74-43.7-178.2-64.8177.1-176.1171.70111.7R85 V86 I87 L91 N92 L93R85-K89 WeakPolarHBondContact O-CD 3.29Å; R85-K89 VanDerWaalsContact O-CE 3.3Å; R85-K89 WeakPolarHBondContact O-CE 3.47Å; R85-K89 WeakPolarHBondContact O-CG 3.41Å; V86-K89 WeakPolarHBondContact O-CB 3.48Å; V86-K89 PolarHBondContact O-N 3.31Å; I87-K89 PolarHBondContact O-N 3.43Å; I87-K89 VanDerWaalsContact O-N 3.17Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-N92 PolarHBondContact O-N 3.1Å; K89-L93 WeakPolarHBondContact O-CG 3.4Å; K89-L93 PolarHBondContact O-N 3.03Å
90I97.8Very high95.4Very high22 Ų2255.9 Ų55.911%0.11329%0.293CS..Hα-helixtrans-66.8-37.3177.1-174.560.7000110.9V86 I87 L93 R94 W97 V120 F123 I124V86-I90 PolarHBondContact O-N 2.9Å; I87-I90 WeakPolarHBondContact O-CG2 3.22Å; I87-I90 PolarHBondContact O-N 3.32Å; I90-L93 PolarHBondContact O-N 3.45Å; I90-R94 VanDerWaalsContact O-CB 3.32Å; I90-R94 WeakPolarHBondContact O-CB 3.39Å; I90-R94 PolarHBondContact O-N 3.32Å; I90-W97 HydrophobicContact CD1-CH2 3.76Å; I90-W97 HydrophobicContact CD1-CZ3 4.06Å; I90-V120 HydrophobicContact CG1-CG1 4.44Å; I90-F123 HydrophobicContact CB-CD1 4.34Å; I90-F123 HydrophobicContact CB-CE1 4.12Å; I90-F123 HydrophobicContact CG1-CD1 4.03Å; I90-F123 HydrophobicContact CG1-CE1 4.21Å; I90-F123 HydrophobicContact CG2-CD1 4.12Å; I90-F123 HydrophobicContact CG2-CE1 4.04Å; I90-I124 HydrophobicContact CG2-CD1 4.36Å; I90-I124 HydrophobicContact CG2-CG1 4.1Å
91L98.1Very high95.7Very high1 Ų162.9 Ų62.91%0.00532%0.323CS..Hα-helixtrans-62.7-43.3174.1-66.5168000111.6I87 K89 R94 G95 I124 H148 Y151 L152I87-L91 HydrophobicContact CG2-CD1 3.71Å; I87-L91 HydrophobicContact CG2-CG 4.28Å; I87-L91 VanDerWaalsContact O-CG 3.23Å; I87-L91 WeakPolarHBondContact O-CG 3.42Å; I87-L91 PolarHBondContact O-N 2.88Å; K89-L91 VanDerWaalsContact C-N 3.33Å; L91-R94 PolarHBondContact O-N 3.36Å; L91-G95 PolarHBondContact O-N 3.07Å; L91-I124 HydrophobicContact CD2-CD1 3.91Å; L91-I124 HydrophobicContact CG-CD1 4.37Å; L91-H148 HydrophobicContact CB-CB 4.08Å; L91-H148 VanDerWaalsContact CB-CD2 3.4Å; L91-H148 WeakPolarHBondContact CB-CD2 3.46Å; L91-H148 HydrophobicContact CD1-CB 4.22Å; L91-H148 HydrophobicContact CD2-CB 4.39Å; L91-H148 HydrophobicContact CG-CB 4.47Å; L91-Y151 HydrophobicContact CD2-CD1 3.74Å; L91-Y151 HydrophobicContact CD2-CE1 3.84Å; L91-L152 HydrophobicContact CD1-CD1 3.86Å; L91-L152 HydrophobicContact CD1-CD2 4Å; L91-L152 HydrophobicContact CD1-CG 3.97Å; L91-L152 HydrophobicContact CD2-CD2 3.75Å; L91-L152 HydrophobicContact CD2-CG 4.01Å; L91-L152 HydrophobicContact CG-CD2 4.49Å
92N96.7Very high96.1Very high83 Ų8366.1 Ų66.144%0.44434%0.335SS..Hα-helixtrans-62.6-43.9174.4177.579000112.3P88 K89 G95 Q96P88-N92 WeakPolarHBondContact O-CB 3.5Å; P88-N92 PolarHBondContact O-N 2.89Å; K89-N92 PolarHBondContact O-N 3.1Å; N92-G95 PolarHBondContact O-N 3.01Å; N92-Q96 PolarHBondContact ND2-NE2 3.36Å; N92-Q96 PolarHBondContact O-N 2.99Å
93L97.2Very high96.3Very high70 Ų7064.9 Ų64.937%0.36633%0.327SS..Hα-helixtrans-61.3-45175.1-75.1170.8000111.7K89 I90 G95 Q96 W97K89-L93 WeakPolarHBondContact O-CG 3.4Å; K89-L93 PolarHBondContact O-N 3.03Å; I90-L93 PolarHBondContact O-N 3.45Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.38Å; L93-Q96 WeakPolarHBondContact O-CA 3.44Å; L93-Q96 WeakPolarHBondContact O-CB 3.3Å; L93-Q96 PolarHBondContact O-N 3.21Å; L93-W97 HydrophobicContact CB-CH2 4.26Å; L93-W97 HydrophobicContact CB-CZ2 3.94Å; L93-W97 PolarHBondContact O-N 3.05Å
94R97.5Very high96.5Very high20 Ų2069.1 Ų69.18%0.07535%0.347CS..Hα-helixtrans-60.3-37.1176.217557.7-173.692.31.4112.3I90 L91 Q96 W97 S98 D117 V120 Y151I90-R94 VanDerWaalsContact O-CB 3.32Å; I90-R94 WeakPolarHBondContact O-CB 3.39Å; I90-R94 PolarHBondContact O-N 3.32Å; L91-R94 PolarHBondContact O-N 3.36Å; R94-Q96 VanDerWaalsContact C-N 3.3Å; R94-Q96 PolarHBondContact O-N 2.93Å; R94-W97 HydrophobicContact CB-CE3 4.22Å; R94-W97 PolarHBondContact O-N 3.03Å; R94-S98 PolarHBondContact O-N 2.89Å; R94-S98 VanDerWaalsContact O-N 3.15Å; R94-D117 IonicContact CZ-OD1 3.97Å; R94-D117 IonicContact NE-OD1 2.79Å; R94-D117 PolarHBondContact NE-OD1 3.17Å; R94-D117 VanDerWaalsContact NH2-CG 3.32Å; R94-D117 IonicContact NH2-OD1 2.68Å; R94-D117 PolarHBondContact NH2-OD1 3.12Å; R94-D117 IonicContact NH2-OD2 2.93Å; R94-D117 PolarHBondContact NH2-OD2 3.38Å; R94-V120 HydrophobicContact CB-CG2 4.16Å; R94-V120 HydrophobicContact CG-CG2 4.07Å; R94-Y151 HydrophobicContact CG-CE1 3.71Å; R94-Y151 HydrophobicContact CG-CE2 4.36Å; R94-Y151 WeakPolarHBondContact CG-OH 3.23Å; R94-Y151 PolarHBondContact NE-OH 3.22Å
95G96.4Very high96.7Very high26 Ų2674.7 Ų74.727%0.26836%0.364SS..Hα-helixtrans-59.3-39171.400000112.6L91 N92 L93 S98L91-G95 PolarHBondContact O-N 3.07Å; N92-G95 PolarHBondContact O-N 3.01Å; L93-G95 VanDerWaalsContact C-N 3.26Å; L93-G95 PolarHBondContact O-N 3.38Å; G95-S98 PolarHBondContact O-N 2.8Å; G95-S98 PolarHBondContact O-OG 2.99Å
96Q96.1Very high97Very high106 Ų10669.4 Ų69.450%0.49535%0.347SS..Hα-helixtrans-68.3-43.3175.7-63.3172.67.400111.7N92 L93 R94 S98 K99N92-Q96 PolarHBondContact ND2-NE2 3.36Å; N92-Q96 PolarHBondContact O-N 2.99Å; L93-Q96 WeakPolarHBondContact O-CA 3.44Å; L93-Q96 WeakPolarHBondContact O-CB 3.3Å; L93-Q96 PolarHBondContact O-N 3.21Å; R94-Q96 VanDerWaalsContact C-N 3.3Å; R94-Q96 PolarHBondContact O-N 2.93Å; Q96-S98 PolarHBondContact O-N 2.92Å; Q96-K99 PolarHBondContact O-N 3.07Å
97W97.1Very high97Very high82 Ų8271.6 Ų71.631%0.31135%0.352SS..Hα-helixtrans-63-21.4177.4-57.3-26.4000113.7I90 L93 R94 K99 S103 L106 V116 V120I90-W97 HydrophobicContact CD1-CH2 3.76Å; I90-W97 HydrophobicContact CD1-CZ3 4.06Å; L93-W97 HydrophobicContact CB-CH2 4.26Å; L93-W97 HydrophobicContact CB-CZ2 3.94Å; L93-W97 PolarHBondContact O-N 3.05Å; R94-W97 HydrophobicContact CB-CE3 4.22Å; R94-W97 PolarHBondContact O-N 3.03Å; W97-K99 VanDerWaalsContact C-N 3.29Å; W97-K99 PolarHBondContact O-N 3.13Å; W97-S103 WeakPolarHBondContact O-CA 3.2Å; W97-S103 PolarHBondContact O-N 2.71Å; W97-L106 HydrophobicContact CB-CD1 3.95Å; W97-V116 HydrophobicContact CE3-CG1 3.99Å; W97-V120 HydrophobicContact CZ3-CG2 4.27Å
98S95.2Very high97Very high49 Ų4976 Ų7634%0.34339%0.388SS..THydrogen-bonded Turntrans-73.9-14.6179.773.20000114.5R94 G95 Q96 S103R94-S98 PolarHBondContact O-N 2.89Å; R94-S98 VanDerWaalsContact O-N 3.15Å; G95-S98 PolarHBondContact O-N 2.8Å; G95-S98 PolarHBondContact O-OG 2.99Å; Q96-S98 PolarHBondContact O-N 2.92Å; S98-S103 PolarHBondContact O-OG 3.46Å
99K95.6Very high97.1Very high155 Ų15578.2 Ų78.267%0.67441%0.408SS*.SBendtrans-129157.8-166.1-68.9168.2-169.7-176.10112.9Q96 W97 S103Q96-K99 PolarHBondContact O-N 3.07Å; W97-K99 VanDerWaalsContact C-N 3.29Å; W97-K99 PolarHBondContact O-N 3.13Å; K99-S103 PolarHBondContact O-N 2.97Å
100G96.5Very high97.1Very high50 Ų5073.9 Ų73.952%0.51540%0.403SS..Hα-helixtrans54.2-146.3171.800000114.2E102 S103 E104G100-E102 PolarHBondContact O-N 3.46Å; G100-S103 WeakPolarHBondContact O-CB 3.39Å; G100-S103 PolarHBondContact O-N 3.21Å; G100-S103 VanDerWaalsContact O-N 3.13Å; G100-E104 PolarHBondContact O-N 3.03Å
101K97.4Very high97.1Very high151 Ų15176.8 Ų76.866%0.65742%0.418SS*.Hα-helixtrans-59.1-29.1-176.1-69.6-176177.3-179.70114E104 R105K101-E104 PolarHBondContact O-N 3.01Å; K101-R105 WeakPolarHBondContact O-CB 3.39Å; K101-R105 VanDerWaalsContact O-CG 3.22Å; K101-R105 WeakPolarHBondContact O-CG 3.32Å; K101-R105 PolarHBondContact O-N 2.95Å
102E96.6Very high97Very high79 Ų7983.5 Ų83.537%0.36944%0.444SS..Hα-helixtrans-69-42.2177.9-65.2-54.3130.600111.4G100 E104 R105 L106G100-E102 PolarHBondContact O-N 3.46Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3.16Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE1-CZ 3.18Å; E102-R105 IonicContact OE1-NH1 2.69Å; E102-R105 PolarHBondContact OE1-NH1 3.43Å; E102-L106 WeakPolarHBondContact O-CG 3.39Å; E102-L106 PolarHBondContact O-N 3.18Å
103S97.4Very high96.9Very high21 Ų2182.5 Ų82.515%0.14744%0.442CS..Hα-helixtrans-62.2-40.4173.4-169.70000111.9W97 S98 K99 G100 K107W97-S103 WeakPolarHBondContact O-CA 3.2Å; W97-S103 PolarHBondContact O-N 2.71Å; S98-S103 PolarHBondContact O-OG 3.46Å; K99-S103 PolarHBondContact O-N 2.97Å; G100-S103 WeakPolarHBondContact O-CB 3.39Å; G100-S103 PolarHBondContact O-N 3.21Å; G100-S103 VanDerWaalsContact O-N 3.13Å; S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 2.69Å; S103-K107 VanDerWaalsContact O-N 3.1Å
104E97.9Very high96.9Very high125 Ų12584.9 Ų84.958%0.58446%0.459SS*.Hα-helixtrans-64.9-44176.6-68.1166.8-172.600112.2G100 K101 E102 K107 A108G100-E104 PolarHBondContact O-N 3.03Å; K101-E104 PolarHBondContact O-N 3.01Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3.16Å; E104-K107 PolarHBondContact O-N 2.74Å; E104-A108 WeakPolarHBondContact O-CB 3.2Å; E104-A108 PolarHBondContact O-N 2.58Å
105R97.9Very high96.9Very high157 Ų15786.2 Ų86.259%0.59248%0.475SS*.Hα-helixtrans-61.7-44.8176.7-76.9168.3173.8177.5-7.2112.2K101 E102 A108 A109K101-R105 WeakPolarHBondContact O-CB 3.39Å; K101-R105 VanDerWaalsContact O-CG 3.22Å; K101-R105 WeakPolarHBondContact O-CG 3.32Å; K101-R105 PolarHBondContact O-N 2.95Å; E102-R105 PolarHBondContact O-N 2.82Å; E102-R105 IonicContact OE1-CZ 3.18Å; E102-R105 IonicContact OE1-NH1 2.69Å; E102-R105 PolarHBondContact OE1-NH1 3.43Å; R105-A108 PolarHBondContact O-N 3.08Å; R105-A109 PolarHBondContact O-N 2.73Å
106L97.6Very high96.9Very high42 Ų4285.8 Ų85.822%0.2247%0.467CS..Hα-helixtrans-59.8-47.6176.6-75.2168.8000111W97 E102 A108 A109 G110 L111 V116W97-L106 HydrophobicContact CB-CD1 3.95Å; E102-L106 WeakPolarHBondContact O-CG 3.39Å; E102-L106 PolarHBondContact O-N 3.18Å; L106-A108 PolarHBondContact O-N 2.73Å; L106-A109 CarbonylContact O-C 3.46Å; L106-A109 WeakPolarHBondContact O-CA 3.34Å; L106-A109 PolarHBondContact O-N 3.29Å; L106-A109 VanDerWaalsContact O-N 3.08Å; L106-G110 PolarHBondContact O-N 3.33Å; L106-L111 CarbonylContact C-O 3.48Å; L106-L111 HydrophobicContact CB-CB 4.26Å; L106-L111 WeakPolarHBondContact CB-O 3.39Å; L106-L111 HydrophobicContact CD2-CB 4.03Å; L106-L111 HydrophobicContact CD2-CD1 3.85Å; L106-L111 WeakPolarHBondContact O-CA 3.18Å; L106-L111 WeakPolarHBondContact O-CB 2.86Å; L106-L111 PolarHBondContact O-N 3.18Å; L106-V116 HydrophobicContact CD1-CG2 4.27Å
107K97.6Very high97Very high103 Ų10381.5 Ų81.545%0.44845%0.447SS..Hα-helixtrans-61.7-41.6176.8-70.7171.4-177.11760112.4S103 E104 A109 G110 Y112S103-K107 VanDerWaalsContact O-CG 3.29Å; S103-K107 WeakPolarHBondContact O-CG 3.21Å; S103-K107 PolarHBondContact O-N 2.69Å; S103-K107 VanDerWaalsContact O-N 3.1Å; E104-K107 PolarHBondContact O-N 2.74Å; K107-A109 PolarHBondContact O-N 3.46Å; K107-G110 PolarHBondContact O-N 3.15Å; K107-Y112 HydrophobicContact CG-CD1 4.37Å; K107-Y112 HydrophobicContact CG-CE1 4.47Å
108A97.4Very high97.1Very high92 Ų9280.9 Ų80.976%0.7646%0.455SS*.Hα-helixtrans-63.6-27175.600000112.8E104 R105 L106 G110E104-A108 WeakPolarHBondContact O-CB 3.2Å; E104-A108 PolarHBondContact O-N 2.58Å; R105-A108 PolarHBondContact O-N 3.08Å; L106-A108 PolarHBondContact O-N 2.73Å; A108-G110 VanDerWaalsContact C-N 3.33Å
109A97.8Very high97.2Very high73 Ų7381.4 Ų81.460%0.60346%0.462SS*.THydrogen-bonded Turntrans-87.26172.900000113.9R105 L106 K107 L111R105-A109 PolarHBondContact O-N 2.73Å; L106-A109 CarbonylContact O-C 3.46Å; L106-A109 WeakPolarHBondContact O-CA 3.34Å; L106-A109 PolarHBondContact O-N 3.29Å; L106-A109 VanDerWaalsContact O-N 3.08Å; K107-A109 PolarHBondContact O-N 3.46Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 3.42Å
110G97.2Very high97.3Very high45 Ų4574.2 Ų74.246%0.46443%0.432SS..THydrogen-bonded Turntrans75.910.1-177.400000114.8L106 K107 A108 Y112L106-G110 PolarHBondContact O-N 3.33Å; K107-G110 PolarHBondContact O-N 3.15Å; A108-G110 VanDerWaalsContact C-N 3.33Å; G110-Y112 WeakPolarHBondContact O-CD2 3.37Å
111L97.5Very high97.4Very high82 Ų8276.9 Ų76.943%0.42943%0.426SS..  trans-95.2102.2177.3-65.5173.7000110.3L106 A109 A115L106-L111 CarbonylContact C-O 3.48Å; L106-L111 HydrophobicContact CB-CB 4.26Å; L106-L111 WeakPolarHBondContact CB-O 3.39Å; L106-L111 HydrophobicContact CD2-CB 4.03Å; L106-L111 HydrophobicContact CD2-CD1 3.85Å; L106-L111 WeakPolarHBondContact O-CA 3.18Å; L106-L111 WeakPolarHBondContact O-CB 2.86Å; L106-L111 PolarHBondContact O-N 3.18Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 3.42Å; L111-A115 HydrophobicContact CD2-CB 4.39Å
112Y96.1Very high97.5Very high142 Ų14272.9 Ų72.956%0.55742%0.417SS*.  trans-90.6163.1176.9-63.4-83.2000111.6K107 G110 V114 A115 V116K107-Y112 HydrophobicContact CG-CD1 4.37Å; K107-Y112 HydrophobicContact CG-CE1 4.47Å; G110-Y112 WeakPolarHBondContact O-CD2 3.37Å; Y112-V114 VanDerWaalsContact C-N 3.27Å; Y112-V114 PolarHBondContact O-N 3.21Å; Y112-V114 VanDerWaalsContact O-N 3.12Å; Y112-A115 WeakPolarHBondContact O-CB 3.33Å; Y112-A115 PolarHBondContact O-N 3.46Å; Y112-V116 PolarHBondContact O-N 3.41Å
113P95.4Very high97.5Very high63 Ų6373.6 Ų73.641%0.40942%0.419SS..Hα-helixtrans-46.2-46.7-177.5-32.237.2000114A115 V116 D117P113-A115 VanDerWaalsContact C-N 3.28Å; P113-A115 PolarHBondContact O-N 3.44Å; P113-V116 CarbonylContact O-C 3.57Å; P113-V116 PolarHBondContact O-N 3.41Å; P113-D117 VanDerWaalsContact C-OD2 3.32Å; P113-D117 WeakPolarHBondContact O-CB 3.32Å; P113-D117 PolarHBondContact O-N 3.37Å
114V96.6Very high97.5Very high120 Ų12072.6 Ų72.673%0.72741%0.412SS*.Hα-helixtrans-52.9-41.8178.9175.50000113.2Y112 S118Y112-V114 VanDerWaalsContact C-N 3.27Å; Y112-V114 PolarHBondContact O-N 3.21Å; Y112-V114 VanDerWaalsContact O-N 3.12Å; V114-S118 VanDerWaalsContact O-CB 3.31Å; V114-S118 WeakPolarHBondContact O-CB 3.42Å; V114-S118 PolarHBondContact O-N 2.9Å
115A97.5Very high97.5Very high48 Ų4868.3 Ų68.340%0.39740%0.396SS..Hα-helixtrans-69.1-42.3179.400000111.5L111 Y112 P113 A119L111-A115 HydrophobicContact CD2-CB 4.39Å; Y112-A115 WeakPolarHBondContact O-CB 3.33Å; Y112-A115 PolarHBondContact O-N 3.46Å; P113-A115 VanDerWaalsContact C-N 3.28Å; P113-A115 PolarHBondContact O-N 3.44Å; A115-A119 PolarHBondContact O-N 3.38Å; A115-A119 VanDerWaalsContact O-N 3.11Å
116V97.3Very high97.4Very high16 Ų1663.7 Ų63.710%0.09739%0.388CS..Hα-helixtrans-67.8-40.7177.9-174.20000110.9W97 L106 Y112 P113 A119 V120W97-V116 HydrophobicContact CE3-CG1 3.99Å; L106-V116 HydrophobicContact CD1-CG2 4.27Å; Y112-V116 PolarHBondContact O-N 3.41Å; P113-V116 CarbonylContact O-C 3.57Å; P113-V116 PolarHBondContact O-N 3.41Å; V116-A119 WeakPolarHBondContact O-CB 3.42Å; V116-A119 PolarHBondContact O-N 3.17Å; V116-V120 HydrophobicContact CG1-CG2 4.48Å; V116-V120 WeakPolarHBondContact O-CG2 3.34Å; V116-V120 PolarHBondContact O-N 3.04Å
117D98.1Very high97.3Very high17 Ų1764.1 Ų64.19%0.09139%0.39CS..Hα-helixtrans-66.8-40.2179.2-67-29000111.7R94 P113 A119 V120 R121 Y151 I155R94-D117 IonicContact CZ-OD1 3.97Å; R94-D117 IonicContact NE-OD1 2.79Å; R94-D117 PolarHBondContact NE-OD1 3.17Å; R94-D117 VanDerWaalsContact NH2-CG 3.32Å; R94-D117 IonicContact NH2-OD1 2.68Å; R94-D117 PolarHBondContact NH2-OD1 3.12Å; R94-D117 IonicContact NH2-OD2 2.93Å; R94-D117 PolarHBondContact NH2-OD2 3.38Å; P113-D117 VanDerWaalsContact C-OD2 3.32Å; P113-D117 WeakPolarHBondContact O-CB 3.32Å; P113-D117 PolarHBondContact O-N 3.37Å; D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 PolarHBondContact O-N 3.13Å; D117-V120 PolarHBondContact O-N 3.39Å; D117-R121 WeakPolarHBondContact O-CB 3.46Å; D117-R121 PolarHBondContact O-N 3.19Å; D117-Y151 WeakPolarHBondContact OD1-CE2 3.19Å; D117-Y151 VanDerWaalsContact OD1-CZ 3.29Å; D117-Y151 PolarHBondContact OD1-OH 2.94Å; D117-I155 HydrophobicContact CB-CG2 3.89Å
118S98Very high97.3Very high68 Ų6859.4 Ų59.448%0.47637%0.37SS..Hα-helixtrans-59.5-43.3170.6-176.30000112V114 S122V114-S118 VanDerWaalsContact O-CB 3.31Å; V114-S118 WeakPolarHBondContact O-CB 3.42Å; V114-S118 PolarHBondContact O-N 2.9Å; S118-S122 WeakPolarHBondContact O-CB 3.44Å; S118-S122 PolarHBondContact O-N 2.79Å; S118-S122 PolarHBondContact O-OG 3.22Å
119A98.1Very high97.2Very high60 Ų6059.8 Ų59.850%0.49635%0.354SS..Hα-helixtrans-66.3-44.5177.500000112.4A115 V116 D117 S122 F123A115-A119 PolarHBondContact O-N 3.38Å; A115-A119 VanDerWaalsContact O-N 3.11Å; V116-A119 WeakPolarHBondContact O-CB 3.42Å; V116-A119 PolarHBondContact O-N 3.17Å; D117-A119 VanDerWaalsContact C-N 3.33Å; D117-A119 PolarHBondContact O-N 3.13Å; A119-S122 PolarHBondContact O-N 3Å; A119-F123 WeakPolarHBondContact O-CB 3.16Å; A119-F123 PolarHBondContact O-N 2.82Å
120V98.4Very high97Very high4 Ų460.8 Ų60.82%0.02435%0.35CS..Hα-helixtrans-64.6-44.9177.31710000111.2I90 R94 W97 V116 D117 S122 F123 I124 Y151 I155I90-V120 HydrophobicContact CG1-CG1 4.44Å; R94-V120 HydrophobicContact CB-CG2 4.16Å; R94-V120 HydrophobicContact CG-CG2 4.07Å; W97-V120 HydrophobicContact CZ3-CG2 4.27Å; V116-V120 HydrophobicContact CG1-CG2 4.48Å; V116-V120 WeakPolarHBondContact O-CG2 3.34Å; V116-V120 PolarHBondContact O-N 3.04Å; D117-V120 PolarHBondContact O-N 3.39Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.03Å; V120-F123 PolarHBondContact O-N 3.35Å; V120-I124 HydrophobicContact CG1-CD1 3.75Å; V120-I124 HydrophobicContact CG1-CG1 4.42Å; V120-I124 WeakPolarHBondContact O-CG1 3.41Å; V120-I124 PolarHBondContact O-N 2.97Å; V120-Y151 HydrophobicContact CG1-CE1 4.21Å; V120-I155 HydrophobicContact CG1-CD1 4Å
121R98.3Very high96.7Very high107 Ų10761.5 Ų61.540%0.40435%0.351SS..Hα-helixtrans-56.3-47.3173.5178.9-167.1154.9108.9-6.1110.9D117 I124 S125 I155 F156D117-R121 WeakPolarHBondContact O-CB 3.46Å; D117-R121 PolarHBondContact O-N 3.19Å; R121-I124 PolarHBondContact O-N 3.02Å; R121-S125 VanDerWaalsContact O-CB 3.27Å; R121-S125 WeakPolarHBondContact O-CB 3.47Å; R121-S125 PolarHBondContact O-N 3.07Å; R121-S125 PolarHBondContact O-OG 2.99Å; R121-I155 HydrophobicContact CB-CB 4.3Å; R121-I155 HydrophobicContact CB-CD1 4.37Å; R121-I155 VanDerWaalsContact CD-O 3.29Å; R121-I155 WeakPolarHBondContact CD-O 3.19Å; R121-I155 PolarHBondContact NH1-O 3.31Å; R121-F156 HydrophobicContact CG-CD1 4.44Å; R121-F156 HydrophobicContact CG-CE1 3.96Å; R121-F156 HydrophobicContact CG-CZ 4.01Å
122S98Very high96.4Very high67 Ų6759.7 Ų59.747%0.46935%0.352SS..Hα-helixtrans-63.9-42.6-179.6-60.40000111.7S118 A119 V120 S125 S126S118-S122 WeakPolarHBondContact O-CB 3.44Å; S118-S122 PolarHBondContact O-N 2.79Å; S118-S122 PolarHBondContact O-OG 3.22Å; A119-S122 PolarHBondContact O-N 3Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.03Å; S122-S125 PolarHBondContact O-N 3.3Å; S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 2.79Å
123F98Very high96.1Very high93 Ų9361.1 Ų61.141%0.40836%0.364SS..Hα-helixtrans-60.5-51.1175.4-179.6-92000111.8V86 I90 A119 V120 S126 L127V86-F123 HydrophobicContact CG1-CE1 3.84Å; V86-F123 HydrophobicContact CG1-CZ 3.94Å; I90-F123 HydrophobicContact CB-CD1 4.34Å; I90-F123 HydrophobicContact CB-CE1 4.12Å; I90-F123 HydrophobicContact CG1-CD1 4.03Å; I90-F123 HydrophobicContact CG1-CE1 4.21Å; I90-F123 HydrophobicContact CG2-CD1 4.12Å; I90-F123 HydrophobicContact CG2-CE1 4.04Å; A119-F123 WeakPolarHBondContact O-CB 3.16Å; A119-F123 PolarHBondContact O-N 2.82Å; V120-F123 PolarHBondContact O-N 3.35Å; F123-S126 PolarHBondContact O-N 2.98Å; F123-L127 HydrophobicContact CD1-CD1 4.01Å; F123-L127 HydrophobicContact CD1-CG 4.48Å; F123-L127 HydrophobicContact CE1-CD1 3.45Å; F123-L127 VanDerWaalsContact CE1-CD1 3.45Å; F123-L127 HydrophobicContact CE1-CG 4.17Å; F123-L127 HydrophobicContact CZ-CD1 3.99Å; F123-L127 HydrophobicContact CZ-CG 4.45Å; F123-L127 WeakPolarHBondContact O-CG 3.48Å; F123-L127 PolarHBondContact O-N 3.46Å
124I97.9Very high96Very high0 Ų062.9 Ų62.90%037%0.37CS..Hα-helixtrans-62.6-45.5178.4-66.8169.9000110.6F56 I87 I90 L91 V120 R121 S126 L127 I128 L152 I155 F156F56-I124 HydrophobicContact CE1-CG2 4.38Å; F56-I124 HydrophobicContact CZ-CG2 4.35Å; I87-I124 HydrophobicContact CD1-CG2 4.01Å; I87-I124 HydrophobicContact CG1-CG1 4.41Å; I87-I124 HydrophobicContact CG1-CG2 4.24Å; I87-I124 HydrophobicContact CG2-CD1 4.36Å; I87-I124 HydrophobicContact CG2-CG1 4.46Å; I87-I124 HydrophobicContact CG2-CG2 4.48Å; I90-I124 HydrophobicContact CG2-CD1 4.36Å; I90-I124 HydrophobicContact CG2-CG1 4.1Å; L91-I124 HydrophobicContact CD2-CD1 3.91Å; L91-I124 HydrophobicContact CG-CD1 4.37Å; V120-I124 HydrophobicContact CG1-CD1 3.75Å; V120-I124 HydrophobicContact CG1-CG1 4.42Å; V120-I124 WeakPolarHBondContact O-CG1 3.41Å; V120-I124 PolarHBondContact O-N 2.97Å; R121-I124 PolarHBondContact O-N 3.02Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-L127 PolarHBondContact O-N 2.77Å; I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.4Å; I124-I128 PolarHBondContact O-N 3.49Å; I124-L152 HydrophobicContact CD1-CD2 4.28Å; I124-I155 HydrophobicContact CD1-CD1 4.18Å; I124-F156 HydrophobicContact CB-CE2 4.09Å; I124-F156 HydrophobicContact CB-CZ 3.86Å; I124-F156 HydrophobicContact CD1-CE2 4.25Å; I124-F156 HydrophobicContact CG2-CE2 3.73Å; I124-F156 HydrophobicContact CG2-CZ 3.6Å
125S96.6Very high95.9Very high35 Ų3557.7 Ų57.725%0.24534%0.34CS..Hα-helixtrans-58.3-42.1178.3-56.90000111.5R121 S122 I128 K129 F156R121-S125 VanDerWaalsContact O-CB 3.27Å; R121-S125 WeakPolarHBondContact O-CB 3.47Å; R121-S125 PolarHBondContact O-N 3.07Å; R121-S125 PolarHBondContact O-OG 2.99Å; S122-S125 PolarHBondContact O-N 3.3Å; S125-I128 PolarHBondContact O-N 3.02Å; S125-K129 VanDerWaalsContact O-CB 3.31Å; S125-K129 WeakPolarHBondContact O-CB 3.23Å; S125-K129 PolarHBondContact O-N 2.86Å; S125-F156 WeakPolarHBondContact OG-CE1 3.25Å
126S96.2Very high95.9Very high61 Ų6159.1 Ų59.143%0.42734%0.344SS..Hα-helixtrans-64.3-43.4177-175.20000112.1S122 F123 I124 I128 K129 N130S122-S126 WeakPolarHBondContact O-CB 3.46Å; S122-S126 PolarHBondContact O-N 2.79Å; F123-S126 PolarHBondContact O-N 2.98Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.48Å; S126-I128 PolarHBondContact O-N 3.02Å; S126-K129 PolarHBondContact O-N 2.75Å; S126-N130 WeakPolarHBondContact O-CB 3.23Å; S126-N130 PolarHBondContact O-N 3.06Å; S126-N130 PolarHBondContact O-ND2 3.09Å; S126-N130 PolarHBondContact OG-ND2 3Å; S126-N130 VanDerWaalsContact OG-ND2 3.15Å
127L96.5Very high95.9Very high50 Ų5058.5 Ų58.526%0.26234%0.341SS..Hα-helixtrans-60.6-45.5174.9-68.8-179.5000111.8V86 I87 F123 I124 A131V86-L127 HydrophobicContact CB-CD1 3.93Å; V86-L127 HydrophobicContact CG1-CD1 3.59Å; I87-L127 HydrophobicContact CG1-CD1 4.06Å; F123-L127 HydrophobicContact CD1-CD1 4.01Å; F123-L127 HydrophobicContact CD1-CG 4.48Å; F123-L127 HydrophobicContact CE1-CD1 3.45Å; F123-L127 VanDerWaalsContact CE1-CD1 3.45Å; F123-L127 HydrophobicContact CE1-CG 4.17Å; F123-L127 HydrophobicContact CZ-CD1 3.99Å; F123-L127 HydrophobicContact CZ-CG 4.45Å; F123-L127 WeakPolarHBondContact O-CG 3.48Å; F123-L127 PolarHBondContact O-N 3.46Å; I124-L127 PolarHBondContact O-N 2.77Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.24Å; L127-A131 PolarHBondContact O-N 3.44Å
128I96.2Very high95.9Very high4 Ų457.9 Ų57.92%0.02134%0.338CS..Hα-helixtrans-64.4-47.8-179.9-64.2176.2000109.9I54 F56 R79 I87 I124 S125 S126 N130 L138 N140I54-I128 HydrophobicContact CG2-CD1 3.97Å; F56-I128 HydrophobicContact CE1-CD1 3.78Å; F56-I128 HydrophobicContact CZ-CD1 3.83Å; R79-I128 PolarHBondContact NH1-O 3.03Å; R79-I128 PolarHBondContact NH2-O 3.49Å; I87-I128 HydrophobicContact CD1-CD1 4.38Å; I87-I128 HydrophobicContact CD1-CG1 4.02Å; I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.4Å; I124-I128 PolarHBondContact O-N 3.49Å; S125-I128 PolarHBondContact O-N 3.02Å; S126-I128 PolarHBondContact O-N 3.02Å; I128-N130 PolarHBondContact O-N 3.36Å; I128-L138 HydrophobicContact CG2-CB 3.69Å; I128-L138 HydrophobicContact CG2-CD1 4.03Å; I128-L138 HydrophobicContact CG2-CG 4.46Å; I128-N140 HydrophobicContact CD1-CB 3.86Å; I128-N140 HydrophobicContact CG1-CB 4.03Å
129K94.9Very high95.8Very high100 Ų10054.7 Ų54.744%0.43532%0.315SS..Hα-helixtrans-62.6-41.2-178.8-175.3178.5178-177.60113S125 S126 L138S125-K129 VanDerWaalsContact O-CB 3.31Å; S125-K129 WeakPolarHBondContact O-CB 3.23Å; S125-K129 PolarHBondContact O-N 2.86Å; S126-K129 PolarHBondContact O-N 2.75Å; K129-L138 HydrophobicContact CB-CD1 4.42Å
130N93.9Very high95.8Very high95 Ų9552.1 Ų52.151%0.50829%0.293SS..Hα-helixtrans-91.9-0.7-172.2-65.6-63.5000114.4S126 I128 G132S126-N130 WeakPolarHBondContact O-CB 3.23Å; S126-N130 PolarHBondContact O-N 3.06Å; S126-N130 PolarHBondContact O-ND2 3.09Å; S126-N130 PolarHBondContact OG-ND2 3Å; S126-N130 VanDerWaalsContact OG-ND2 3.15Å; I128-N130 PolarHBondContact O-N 3.36Å; N130-G132 VanDerWaalsContact C-N 3.25Å; N130-G132 PolarHBondContact O-N 2.87Å
131A91.4Very high95.7Very high60 Ų6051.9 Ų51.950%0.49629%0.292SS..THydrogen-bonded Turntrans-77.1-5.1-17900000114.5L127L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.24Å; L127-A131 PolarHBondContact O-N 3.44Å
132G90.4Very high95.7Very high43 Ų4346.9 Ų46.944%0.44327%0.273SS..SBendtrans-179.4-165.6179.700000112N130N130-G132 VanDerWaalsContact C-N 3.25Å; N130-G132 PolarHBondContact O-N 2.87Å
133E90.8Very high95.6Very high172 Ų17244 Ų4480%0.80425%0.253SS*.SBendtrans-64.6153.9177.3-64.5-179.3170.400112.2R79R79-E133 WeakPolarHBondContact CD-O 3.39Å
134N93.6Very high95.5Very high101 Ų10141.8 Ų41.854%0.5425%0.245SC..  trans-71.2142.4178.3-165.233.7000110.9Q52Q52-N134 PolarHBondContact NE2-OD1 3.3Å
135A94.8Very high95.5Very high11 Ų1141.8 Ų41.89%0.09125%0.245CC..  trans-145.4152.7176.900000110.4Q52 R79 V137 L138Q52-A135 PolarHBondContact NE2-O 2.74Å; R79-A135 HydrophobicContact CB-CB 3.74Å; A135-V137 PolarHBondContact O-N 2.73Å; A135-V137 VanDerWaalsContact O-N 3.08Å; A135-L138 HydrophobicContact CB-CD2 4.49Å
136P96Very high95.6Very high77 Ų7740.2 Ų40.250%0.523%0.234SC..SBendtrans-51.3-35177.5-28.634.9000114.2M77M77-P136 HydrophobicContact CB-CB 4.38Å; M77-P136 HydrophobicContact CB-CG 4.3Å; M77-P136 HydrophobicContact CE-CB 4.02Å; M77-P136 HydrophobicContact CE-CG 4.37Å; M77-P136 HydrophobicContact CG-CG 4.47Å; M77-P136 WeakPolarHBondContact O-CD 3.39Å
137V97.9Very high95.6Very high4 Ų440.4 Ų40.42%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-121.4121.7177-177.60000109.3Q53 V55 M77 I78 R79 A135 I240Q53-V137 HydrophobicContact CB-CG1 4.37Å; Q53-V137 HydrophobicContact CB-CG2 4.26Å; Q53-V137 HydrophobicContact CG-CG1 4.25Å; V55-V137 HydrophobicContact CG2-CG1 3.65Å; M77-V137 WeakPolarHBondContact O-CB 3.35Å; M77-V137 PolarHBondContact O-N 3.41Å; I78-V137 WeakPolarHBondContact CA-O 3.37Å; I78-V137 HydrophobicContact CG1-CB 4.07Å; I78-V137 HydrophobicContact CG1-CG1 4.33Å; I78-V137 HydrophobicContact CG2-CG1 4.35Å; R79-V137 PolarHBondContact N-O 3.03Å; A135-V137 PolarHBondContact O-N 2.73Å; A135-V137 VanDerWaalsContact O-N 3.08Å; V137-I240 HydrophobicContact CB-CD1 4.27Å; V137-I240 HydrophobicContact CG1-CD1 4.1Å; V137-I240 HydrophobicContact CG2-CD1 3.72Å; V137-I240 HydrophobicContact CG2-CG1 4.14Å
138L97.7Very high95.7Very high4 Ų440 Ų402%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-96.8136.9172.7-63.4-176.7000109.3Q52 Q53 I54 V55 R79 I128 K129 A135Q52-L138 VanDerWaalsContact CD-CG 3.44Å; Q52-L138 HydrophobicContact CG-CD1 4.17Å; Q52-L138 HydrophobicContact CG-CG 3.94Å; Q52-L138 VanDerWaalsContact NE2-CG 3.34Å; Q53-L138 PolarHBondContact O-N 3.24Å; I54-L138 CarbonylContact C-O 3.59Å; I54-L138 WeakPolarHBondContact CA-O 3.5Å; V55-L138 PolarHBondContact N-O 2.89Å; R79-L138 CarbonylContact O-C 3.55Å; I128-L138 HydrophobicContact CG2-CB 3.69Å; I128-L138 HydrophobicContact CG2-CD1 4.03Å; I128-L138 HydrophobicContact CG2-CG 4.46Å; K129-L138 HydrophobicContact CB-CD1 4.42Å; A135-L138 HydrophobicContact CB-CD2 4.49Å
139C97.2Very high95.8Very high1 Ų139.9 Ų39.91%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-122.5149.8178.4157.60000110.2V55 I57 I78 R79 C80V55-C139 HydrophobicContact CB-CB 4.18Å; V55-C139 CarbonylContact O-C 3.47Å; V55-C139 WeakPolarHBondContact O-CA 3.31Å; I57-C139 WeakPolarHBondContact CD1-SG 3.49Å; I78-C139 HydrophobicContact CG2-CB 4.05Å; R79-C139 PolarHBondContact NH2-O 3.02Å; R79-C139 PolarHBondContact O-N 3.46Å; C80-C139 CarbonylContact C-O 3.22Å; C80-C139 WeakPolarHBondContact CA-O 3.33Å; C80-C139 VanDerWaalsContact CA-SG 3.58Å; C80-C139 HydrophobicContact CB-CB 3.63Å; C80-C139 WeakPolarHBondContact CB-SG 3.25Å; C80-C139 WeakPolarHBondContact SG-CB 3.42Å; C80-C139 CovalentContact SG-SG 2.03Å; C80-C139 PolarHBondContact SG-SG 3.05Å
140N97.3Very high96Very high5 Ų540.1 Ų40.13%0.02723%0.228CC..EExtended strand (participates in β ladder)trans-129.5128.5168.6170.4-111.5000109V55 F56 I57 I87 I128 D142V55-N140 PolarHBondContact O-N 2.94Å; F56-N140 CarbonylContact C-O 3.5Å; F56-N140 WeakPolarHBondContact CA-O 3.5Å; F56-N140 HydrophobicContact CD1-CB 3.96Å; F56-N140 HydrophobicContact CE1-CB 4.11Å; I57-N140 PolarHBondContact N-O 3.36Å; I87-N140 HydrophobicContact CD1-CB 4.36Å; I87-N140 VanDerWaalsContact CD1-CG 3.48Å; I87-N140 WeakPolarHBondContact CD1-ND2 3.17Å; I87-N140 WeakPolarHBondContact CD1-OD1 3.46Å; I128-N140 HydrophobicContact CD1-CB 3.86Å; I128-N140 HydrophobicContact CG1-CB 4.03Å; N140-D142 PolarHBondContact ND2-OD2 3.09Å
141K97Very high96.2Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-112.6110.9169.3-175.3-89.4-61.7173.30109.2I57 R69 E83 P143 E262I57-K141 HydrophobicContact CB-CB 4.02Å; I57-K141 HydrophobicContact CB-CG 3.96Å; I57-K141 HydrophobicContact CD1-CB 4.34Å; I57-K141 HydrophobicContact CG2-CG 4.02Å; I57-K141 WeakPolarHBondContact O-CA 3.45Å; R69-K141 HydrophobicContact CB-CB 3.84Å; R69-K141 HydrophobicContact CB-CG 3.91Å; R69-K141 HydrophobicContact CG-CB 3.83Å; R69-K141 HydrophobicContact CG-CG 4.36Å; E83-K141 WeakPolarHBondContact CA-O 3.31Å; E83-K141 HydrophobicContact CG-CD 4Å; E83-K141 VanDerWaalsContact CG-NZ 3.25Å; E83-K141 WeakPolarHBondContact CG-O 3.42Å; E83-K141 IonicContact OE1-NZ 3.1Å; E83-K141 PolarHBondContact OE1-NZ 3.24Å; K141-P143 HydrophobicContact CD-CG 4.17Å; K141-E262 IonicContact NZ-OE1 2.74Å; K141-E262 PolarHBondContact NZ-OE1 2.91Å; K141-E262 IonicContact NZ-OE2 2.94Å; K141-E262 PolarHBondContact NZ-OE2 2.84Å
142D97.1Very high96.5Very high2 Ų234.4 Ų34.41%0.01119%0.187CC..  trans-143.499.6170.2-88.9-71.5000106.3I57 T84 R85 P88 N140 L144 S145I57-D142 PolarHBondContact O-N 3.19Å; T84-D142 PolarHBondContact N-OD1 2.87Å; T84-D142 PolarHBondContact N-OD2 2.87Å; T84-D142 PolarHBondContact OG1-OD2 3.43Å; R85-D142 WeakPolarHBondContact CA-OD1 3.42Å; R85-D142 PolarHBondContact N-OD1 3.26Å; P88-D142 HydrophobicContact CG-CB 3.74Å; N140-D142 PolarHBondContact ND2-OD2 3.09Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 PolarHBondContact O-N 2.68Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-S145 VanDerWaalsContact CB-OG 3.23Å; D142-S145 WeakPolarHBondContact CB-OG 3.26Å; D142-S145 WeakPolarHBondContact O-CB 3.14Å; D142-S145 PolarHBondContact O-N 2.85Å; D142-S145 PolarHBondContact O-OG 3.32Å
143P97.1Very high96.9Very high7 Ų732.8 Ų32.85%0.04517%0.169CC..G310 helixtrans-53.1-45.9-162.6-28.935.4000113.8G59 P61 T65 E83 K141 S145 F146G59-P143 PolarHBondContact N-O 3.43Å; G59-P143 VanDerWaalsContact N-O 3.11Å; G59-P143 CarbonylContact O-C 3.59Å; G59-P143 WeakPolarHBondContact O-CA 3.34Å; G59-P143 WeakPolarHBondContact O-CB 3.49Å; P61-P143 HydrophobicContact CG-CB 4.33Å; T65-P143 HydrophobicContact CG2-CB 4.27Å; T65-P143 HydrophobicContact CG2-CG 4.25Å; T65-P143 WeakPolarHBondContact OG1-CG 3.46Å; E83-P143 WeakPolarHBondContact OE1-CD 3.41Å; K141-P143 HydrophobicContact CD-CG 4.17Å; P143-S145 VanDerWaalsContact C-N 3.26Å; P143-S145 PolarHBondContact O-N 3.17Å; P143-F146 PolarHBondContact O-N 3.36Å
144L95.8Very high97.2Very high45 Ų4530.9 Ų30.924%0.23616%0.16CC..G310 helixtrans-78-3.3-177-61.9179000114.3P61 D142 F146 I147 I182P61-L144 HydrophobicContact CG-CD1 4.4Å; P61-L144 HydrophobicContact CG-CD2 3.97Å; P61-L144 HydrophobicContact CG-CG 4.05Å; D142-L144 VanDerWaalsContact C-N 3.3Å; D142-L144 PolarHBondContact O-N 2.68Å; D142-L144 VanDerWaalsContact O-N 3.11Å; L144-F146 PolarHBondContact O-N 3.32Å; L144-I147 HydrophobicContact CB-CD1 4.24Å; L144-I147 HydrophobicContact CD2-CD1 4.1Å; L144-I147 WeakPolarHBondContact O-CB 3.14Å; L144-I147 WeakPolarHBondContact O-CG1 3.02Å; L144-I147 PolarHBondContact O-N 3.44Å; L144-I182 HydrophobicContact CD1-CG2 3.87Å
145S97.4Very high97.4Very high1 Ų126.5 Ų26.51%0.00714%0.137CC..G310 helixtrans-59.7-27.6167.9-65.50000111.4P88 D142 P143 I147 H148P88-S145 WeakPolarHBondContact CG-OG 3.39Å; D142-S145 VanDerWaalsContact CB-OG 3.23Å; D142-S145 WeakPolarHBondContact CB-OG 3.26Å; D142-S145 WeakPolarHBondContact O-CB 3.14Å; D142-S145 PolarHBondContact O-N 2.85Å; D142-S145 PolarHBondContact O-OG 3.32Å; P143-S145 VanDerWaalsContact C-N 3.26Å; P143-S145 PolarHBondContact O-N 3.17Å; S145-I147 PolarHBondContact O-N 3.21Å; S145-H148 PolarHBondContact O-N 2.88Å
146F97.9Very high97.6Very high1 Ų126.3 Ų26.30%0.00413%0.134CC..G310 helixtrans-69.8-10.8179.2-88.1-129.2000114.1F56 G58 P143 L144 H148 L149 F161 V162 H163 M203F56-F146 HydrophobicContact CB-CE2 3.97Å; F56-F146 WeakPolarHBondContact O-CZ 3.4Å; G58-F146 VanDerWaalsContact CA-CE2 3.48Å; P143-F146 PolarHBondContact O-N 3.36Å; L144-F146 PolarHBondContact O-N 3.32Å; F146-H148 PolarHBondContact O-N 2.92Å; F146-L149 HydrophobicContact CD1-CD1 4.28Å; F146-L149 HydrophobicContact CD1-CD2 3.88Å; F146-L149 HydrophobicContact CD1-CG 4.5Å; F146-L149 HydrophobicContact CE1-CD1 4.12Å; F146-L149 HydrophobicContact CE1-CD2 4.09Å; F146-L149 HydrophobicContact CZ-CD1 4.32Å; F146-L149 VanDerWaalsContact O-CB 3.3Å; F146-L149 WeakPolarHBondContact O-CB 3.27Å; F146-L149 PolarHBondContact O-N 3.46Å; F146-F161 HydrophobicContact CE1-CB 4.31Å; F146-F161 HydrophobicContact CE2-CD1 4.32Å; F146-F161 HydrophobicContact CZ-CB 3.91Å; F146-F161 HydrophobicContact CZ-CD1 4.14Å; F146-V162 WeakPolarHBondContact CZ-O 3.3Å; F146-H163 HydrophobicContact CD1-CB 4.12Å; F146-H163 AromaticContact CD1-CD2 3.91Å; F146-H163 HydrophobicContact CE1-CB 3.69Å; F146-M203 HydrophobicContact CB-CE 4.06Å; F146-M203 HydrophobicContact CB-CG 4.06Å; F146-M203 HydrophobicContact CB-SD 4.01Å
147I96.6Very high97.6Very high66 Ų6625.4 Ų25.434%0.33813%0.128SC..G310 helixtrans-59.3-27.3165.3-64.5175.9000110.5L144 S145 M203L144-I147 HydrophobicContact CB-CD1 4.24Å; L144-I147 HydrophobicContact CD2-CD1 4.1Å; L144-I147 WeakPolarHBondContact O-CB 3.14Å; L144-I147 WeakPolarHBondContact O-CG1 3.02Å; L144-I147 PolarHBondContact O-N 3.44Å; S145-I147 PolarHBondContact O-N 3.21Å; I147-M203 HydrophobicContact CG1-CE 3.72Å
148H98Very high97.5Very high42 Ų4232.3 Ų32.319%0.19416%0.16CC..G310 helixtrans-111.128.2179.8-54.6-77.5000111.9L91 S145 F146 E150 Y151 L152L91-H148 HydrophobicContact CB-CB 4.08Å; L91-H148 VanDerWaalsContact CB-CD2 3.4Å; L91-H148 WeakPolarHBondContact CB-CD2 3.46Å; L91-H148 HydrophobicContact CD1-CB 4.22Å; L91-H148 HydrophobicContact CD2-CB 4.39Å; L91-H148 HydrophobicContact CG-CB 4.47Å; S145-H148 PolarHBondContact O-N 2.88Å; F146-H148 PolarHBondContact O-N 2.92Å; H148-E150 PolarHBondContact O-N 3.01Å; H148-Y151 PolarHBondContact O-N 2.03Å; H148-L152 PolarHBondContact O-N 2.95Å
149L98.6Very high97.6Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-55.2-46.8-173.3174.357.6000113.1F146 Y151 L152 A153 F161 C207 V210F146-L149 HydrophobicContact CD1-CD1 4.28Å; F146-L149 HydrophobicContact CD1-CD2 3.88Å; F146-L149 HydrophobicContact CD1-CG 4.5Å; F146-L149 HydrophobicContact CE1-CD1 4.12Å; F146-L149 HydrophobicContact CE1-CD2 4.09Å; F146-L149 HydrophobicContact CZ-CD1 4.32Å; F146-L149 VanDerWaalsContact O-CB 3.3Å; F146-L149 WeakPolarHBondContact O-CB 3.27Å; F146-L149 PolarHBondContact O-N 3.46Å; L149-Y151 VanDerWaalsContact C-N 3.35Å; L149-Y151 PolarHBondContact O-N 3.05Å; L149-L152 PolarHBondContact O-N 2.64Å; L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.27Å; L149-F161 HydrophobicContact CD1-CB 3.91Å; L149-F161 HydrophobicContact CD1-CD1 3.21Å; L149-F161 HydrophobicContact CD1-CD2 4.14Å; L149-F161 HydrophobicContact CD1-CE1 3.72Å; L149-F161 HydrophobicContact CD1-CG 3.48Å; L149-F161 VanDerWaalsContact CD1-CG 3.48Å; L149-F161 HydrophobicContact CD1-CZ 4.36Å; L149-C207 HydrophobicContact CD2-CB 3.86Å; L149-V210 HydrophobicContact CD1-CG2 4.47Å; L149-V210 HydrophobicContact CG-CG2 4.13Å
150E98.5Very high97.6Very high105 Ų10533.3 Ų33.349%0.49117%0.165SC..Hα-helixtrans-61.2-42.8178.6-75.8169.3-120.200112.2H148 A153 E154 S206 A209H148-E150 PolarHBondContact O-N 3.01Å; E150-A153 WeakPolarHBondContact O-CB 3.27Å; E150-A153 PolarHBondContact O-N 3.39Å; E150-E154 PolarHBondContact O-N 3.33Å; E150-S206 WeakPolarHBondContact OE1-CA 3.48Å; E150-S206 WeakPolarHBondContact OE1-CB 3.48Å; E150-S206 PolarHBondContact OE1-OG 2.94Å; E150-A209 HydrophobicContact CG-CB 4.4Å
151Y98.5Very high97.7Very high36 Ų3633 Ų3314%0.14116%0.163CC..Hα-helixtrans-66.9-40.5176.4175.4-108.4000112.3L91 R94 D117 V120 H148 L149 A153 E154 I155L91-Y151 HydrophobicContact CD2-CD1 3.74Å; L91-Y151 HydrophobicContact CD2-CE1 3.84Å; R94-Y151 HydrophobicContact CG-CE1 3.71Å; R94-Y151 HydrophobicContact CG-CE2 4.36Å; R94-Y151 WeakPolarHBondContact CG-OH 3.23Å; R94-Y151 PolarHBondContact NE-OH 3.22Å; D117-Y151 WeakPolarHBondContact OD1-CE2 3.19Å; D117-Y151 VanDerWaalsContact OD1-CZ 3.29Å; D117-Y151 PolarHBondContact OD1-OH 2.94Å; V120-Y151 HydrophobicContact CG1-CE1 4.21Å; H148-Y151 PolarHBondContact O-N 2.03Å; L149-Y151 VanDerWaalsContact C-N 3.35Å; L149-Y151 PolarHBondContact O-N 3.05Å; Y151-A153 VanDerWaalsContact C-N 3.28Å; Y151-A153 PolarHBondContact O-N 2.85Å; Y151-E154 WeakPolarHBondContact O-CB 3.4Å; Y151-E154 PolarHBondContact O-N 2.94Å; Y151-I155 HydrophobicContact CD1-CD1 4.49Å; Y151-I155 HydrophobicContact CD2-CG2 4.27Å; Y151-I155 HydrophobicContact CE1-CD1 3.8Å; Y151-I155 HydrophobicContact CE1-CG2 4.33Å; Y151-I155 HydrophobicContact CE2-CG2 3.6Å; Y151-I155 PolarHBondContact O-N 3.03Å
152L98.4Very high97.8Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-59.7-41.4172.5-82172.8000111.3F56 L91 I124 H148 L149 E154 I155 F156 F161F56-L152 HydrophobicContact CE1-CD2 4.26Å; F56-L152 HydrophobicContact CZ-CD2 4.25Å; L91-L152 HydrophobicContact CD1-CD1 3.86Å; L91-L152 HydrophobicContact CD1-CD2 4Å; L91-L152 HydrophobicContact CD1-CG 3.97Å; L91-L152 HydrophobicContact CD2-CD2 3.75Å; L91-L152 HydrophobicContact CD2-CG 4.01Å; L91-L152 HydrophobicContact CG-CD2 4.49Å; I124-L152 HydrophobicContact CD1-CD2 4.28Å; H148-L152 PolarHBondContact O-N 2.95Å; L149-L152 PolarHBondContact O-N 2.64Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.26Å; L152-I155 PolarHBondContact O-N 3.05Å; L152-F156 HydrophobicContact CD2-CD2 4.14Å; L152-F156 HydrophobicContact CD2-CE2 4.23Å; L152-F156 WeakPolarHBondContact O-CB 3.49Å; L152-F156 PolarHBondContact O-N 3Å; L152-F161 HydrophobicContact CB-CE1 3.87Å; L152-F161 HydrophobicContact CB-CZ 4.17Å
153A98.5Very high97.9Very high9 Ų933 Ų337%0.07416%0.163CC..Hα-helixtrans-66.6-31.3177.600000112.9L149 E150 Y151 F156 F161 V210 R214L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 3.27Å; E150-A153 WeakPolarHBondContact O-CB 3.27Å; E150-A153 PolarHBondContact O-N 3.39Å; Y151-A153 VanDerWaalsContact C-N 3.28Å; Y151-A153 PolarHBondContact O-N 2.85Å; A153-F156 CarbonylContact O-C 3.25Å; A153-F161 HydrophobicContact CB-CE2 3.75Å; A153-F161 HydrophobicContact CB-CZ 3.94Å; A153-V210 HydrophobicContact CB-CB 4.41Å; A153-V210 HydrophobicContact CB-CG1 4.08Å; A153-V210 HydrophobicContact CB-CG2 3.44Å; A153-V210 VanDerWaalsContact CB-CG2 3.44Å; A153-R214 VanDerWaalsContact CA-NH2 3.33Å; A153-R214 PolarHBondContact O-NH1 3.29Å; A153-R214 PolarHBondContact O-NH2 3.33Å
154E98Very high98Very high131 Ų13132.6 Ų32.661%0.61216%0.161SC*.Hα-helixtrans-66.3-52.2173.1-175.2-177.417300111.5E150 Y151 L152E150-E154 PolarHBondContact O-N 3.33Å; Y151-E154 WeakPolarHBondContact O-CB 3.4Å; Y151-E154 PolarHBondContact O-N 2.94Å; L152-E154 VanDerWaalsContact C-N 3.29Å; L152-E154 PolarHBondContact O-N 3.26Å
155I97.8Very high98.1Very high10 Ų1030.5 Ų30.55%0.05115%0.15CC..Hα-helixtrans-80.6-18.8-17568.3170.9000113.7D117 V120 R121 I124 Y151 L152 P157D117-I155 HydrophobicContact CB-CG2 3.89Å; V120-I155 HydrophobicContact CG1-CD1 4Å; R121-I155 HydrophobicContact CB-CB 4.3Å; R121-I155 HydrophobicContact CB-CD1 4.37Å; R121-I155 VanDerWaalsContact CD-O 3.29Å; R121-I155 WeakPolarHBondContact CD-O 3.19Å; R121-I155 PolarHBondContact NH1-O 3.31Å; I124-I155 HydrophobicContact CD1-CD1 4.18Å; Y151-I155 HydrophobicContact CD1-CD1 4.49Å; Y151-I155 HydrophobicContact CD2-CG2 4.27Å; Y151-I155 HydrophobicContact CE1-CD1 3.8Å; Y151-I155 HydrophobicContact CE1-CG2 4.33Å; Y151-I155 HydrophobicContact CE2-CG2 3.6Å; Y151-I155 PolarHBondContact O-N 3.03Å; L152-I155 PolarHBondContact O-N 3.05Å; I155-P157 VanDerWaalsContact C-CD 3.48Å; I155-P157 WeakPolarHBondContact O-CD 3.47Å
156F98Very high98.2Very high7 Ų730.9 Ų30.93%0.03115%0.151CC..  trans-11972173.4-67.6-80.2000111.3I54 F56 R121 I124 S125 L152 A153 E158 A159 R214I54-F156 HydrophobicContact CD1-CD1 3.9Å; I54-F156 HydrophobicContact CD1-CE1 3.75Å; F56-F156 HydrophobicContact CE2-CB 4.26Å; F56-F156 AromaticContact CE2-CD2 3.93Å; F56-F156 HydrophobicContact CE2-CD2 3.93Å; F56-F156 HydrophobicContact CE2-CE2 4.47Å; F56-F156 HydrophobicContact CE2-CG 4.01Å; F56-F156 AromaticContact CZ-CD2 3.8Å; F56-F156 HydrophobicContact CZ-CD2 3.8Å; F56-F156 AromaticContact CZ-CE2 3.89Å; F56-F156 HydrophobicContact CZ-CE2 3.89Å; F56-F156 HydrophobicContact CZ-CG 4.22Å; F56-F156 HydrophobicContact CZ-CZ 4.33Å; R121-F156 HydrophobicContact CG-CD1 4.44Å; R121-F156 HydrophobicContact CG-CE1 3.96Å; R121-F156 HydrophobicContact CG-CZ 4.01Å; I124-F156 HydrophobicContact CB-CE2 4.09Å; I124-F156 HydrophobicContact CB-CZ 3.86Å; I124-F156 HydrophobicContact CD1-CE2 4.25Å; I124-F156 HydrophobicContact CG2-CE2 3.73Å; I124-F156 HydrophobicContact CG2-CZ 3.6Å; S125-F156 WeakPolarHBondContact OG-CE1 3.25Å; L152-F156 HydrophobicContact CD2-CD2 4.14Å; L152-F156 HydrophobicContact CD2-CE2 4.23Å; L152-F156 WeakPolarHBondContact O-CB 3.49Å; L152-F156 PolarHBondContact O-N 3Å; A153-F156 CarbonylContact O-C 3.25Å; F156-E158 PolarHBondContact O-N 3.32Å; F156-E158 VanDerWaalsContact O-N 3.13Å; F156-A159 HydrophobicContact CB-CB 3.63Å; F156-A159 WeakPolarHBondContact O-CB 3.23Å; F156-A159 PolarHBondContact O-N 2.88Å; F156-R214 PolarHBondContact O-NH2 2.59Å
157P96.7Very high98.2Very high58 Ų5830.9 Ų30.938%0.37715%0.151SC..THydrogen-bonded Turntrans-62.1-23.9-172.424-34.9000114.9I155 R214I155-P157 VanDerWaalsContact C-CD 3.48Å; I155-P157 WeakPolarHBondContact O-CD 3.47Å; P157-R214 VanDerWaalsContact C-CZ 3.48Å; P157-R214 PolarHBondContact O-NE 3.26Å; P157-R214 VanDerWaalsContact O-NE 3.07Å; P157-R214 PolarHBondContact O-NH1 2.79Å; P157-R214 PolarHBondContact O-NH2 3.23Å
158E96.2Very high98.3Very high148 Ų14827.7 Ų27.769%0.69214%0.135SC*.THydrogen-bonded Turntrans-97.1-0178.1-55.1-52130.200113.2F156F156-E158 PolarHBondContact O-N 3.32Å; F156-E158 VanDerWaalsContact O-N 3.13Å
159A98.1Very high98.2Very high3 Ų325.8 Ų25.83%0.02513%0.126CC..  trans-76.3147.6179.900000112.4I54 F56 F156 F161 R214I54-A159 HydrophobicContact CB-CB 4.34Å; I54-A159 WeakPolarHBondContact O-CA 3.17Å; I54-A159 VanDerWaalsContact O-CB 3.3Å; I54-A159 WeakPolarHBondContact O-CB 3.41Å; F56-A159 HydrophobicContact CD2-CB 3.96Å; F56-A159 HydrophobicContact CE2-CB 3.87Å; F156-A159 HydrophobicContact CB-CB 3.63Å; F156-A159 WeakPolarHBondContact O-CB 3.23Å; F156-A159 PolarHBondContact O-N 2.88Å; A159-F161 HydrophobicContact CB-CE2 4.18Å; A159-F161 HydrophobicContact CB-CZ 4Å; A159-F161 WeakPolarHBondContact O-CE2 3.38Å; A159-R214 PolarHBondContact O-NE 3.06Å; A159-R214 VanDerWaalsContact O-NE 3.09Å
160K98.7Very high98.2Very high23 Ų2325.8 Ų25.810%0.113%0.126CC..EExtended strand (participates in β ladder)trans-102.4149.1169.9-58.9-77.3-174.31470109.7I54 V55 F56 K213 R214 F237 L238 E239I54-K160 PolarHBondContact O-N 3.41Å; V55-K160 CarbonylContact C-O 3.57Å; V55-K160 WeakPolarHBondContact CA-O 3.33Å; V55-K160 HydrophobicContact CG2-CB 4.48Å; F56-K160 PolarHBondContact N-O 2.93Å; K160-K213 WeakPolarHBondContact CD-O 3.28Å; K160-K213 WeakPolarHBondContact CE-O 3.47Å; K160-K213 PolarHBondContact NZ-O 3.37Å; K160-R214 CarbonylContact C-O 3.14Å; K160-R214 WeakPolarHBondContact CA-O 3.43Å; K160-F237 HydrophobicContact CB-CE1 4.02Å; K160-F237 HydrophobicContact CB-CZ 4.15Å; K160-F237 HydrophobicContact CD-CE1 4.37Å; K160-F237 HydrophobicContact CD-CE2 4.33Å; K160-F237 HydrophobicContact CD-CZ 4.02Å; K160-F237 PolarHBondContact NZ-O 2.95Å; K160-L238 HydrophobicContact CB-CD2 3.92Å; K160-L238 HydrophobicContact CG-CD2 4.39Å; K160-E239 IonicContact NZ-OE1 3.71Å; K160-E239 PolarHBondContact NZ-OE1 2.85Å
161F98.9Very high98.2Very high0 Ų020.8 Ų20.80%010%0.102CC..EExtended strand (participates in β ladder)trans-127.7126.5-173.9-60.7-86000110.2F56 F146 L149 L152 A153 A159 V210 R214 C215 T216F56-F161 HydrophobicContact CB-CD1 3.66Å; F56-F161 HydrophobicContact CB-CE1 3.9Å; F56-F161 HydrophobicContact CD2-CD1 4.1Å; F56-F161 AromaticContact CD2-CE1 3.52Å; F56-F161 HydrophobicContact CD2-CE1 3.52Å; F56-F161 HydrophobicContact CD2-CZ 4.13Å; F56-F161 HydrophobicContact CE2-CE1 4.32Å; F56-F161 HydrophobicContact CG-CD1 4.23Å; F56-F161 AromaticContact CG-CE1 3.94Å; F56-F161 HydrophobicContact CG-CE1 3.94Å; F56-F161 WeakPolarHBondContact O-CA 3.31Å; F146-F161 HydrophobicContact CE1-CB 4.31Å; F146-F161 HydrophobicContact CE2-CD1 4.32Å; F146-F161 HydrophobicContact CZ-CB 3.91Å; F146-F161 HydrophobicContact CZ-CD1 4.14Å; L149-F161 HydrophobicContact CD1-CB 3.91Å; L149-F161 HydrophobicContact CD1-CD1 3.21Å; L149-F161 HydrophobicContact CD1-CD2 4.14Å; L149-F161 HydrophobicContact CD1-CE1 3.72Å; L149-F161 HydrophobicContact CD1-CG 3.48Å; L149-F161 VanDerWaalsContact CD1-CG 3.48Å; L149-F161 HydrophobicContact CD1-CZ 4.36Å; L152-F161 HydrophobicContact CB-CE1 3.87Å; L152-F161 HydrophobicContact CB-CZ 4.17Å; A153-F161 HydrophobicContact CB-CE2 3.75Å; A153-F161 HydrophobicContact CB-CZ 3.94Å; A159-F161 HydrophobicContact CB-CE2 4.18Å; A159-F161 HydrophobicContact CB-CZ 4Å; A159-F161 WeakPolarHBondContact O-CE2 3.38Å; F161-V210 HydrophobicContact CD2-CG1 4.01Å; F161-V210 HydrophobicContact CE2-CG1 4.33Å; F161-R214 WeakPolarHBondContact CD2-O 3.13Å; F161-R214 PolarHBondContact N-O 2.92Å; F161-C215 HydrophobicContact CB-CB 4.04Å; F161-C215 WeakPolarHBondContact O-CA 3.44Å; F161-T216 PolarHBondContact O-N 3.47Å
162V98.9Very high98.2Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-111.2104.8176.2-176.40000108.3V55 F56 I57 G58 M68 F146 M164 T216 I218 L234 F237 L238V55-V162 HydrophobicContact CG1-CG2 4.02Å; F56-V162 PolarHBondContact O-N 2.76Å; I57-V162 WeakPolarHBondContact CA-O 3.39Å; I57-V162 HydrophobicContact CG1-CB 4.39Å; G58-V162 PolarHBondContact N-O 3.35Å; M68-V162 HydrophobicContact CE-CG1 4.39Å; M68-V162 HydrophobicContact CG-CG1 4.08Å; F146-V162 WeakPolarHBondContact CZ-O 3.3Å; V162-M164 HydrophobicContact CG1-SD 4.1Å; V162-T216 HydrophobicContact CG2-CG2 4.43Å; V162-I218 HydrophobicContact CG1-CD1 4.05Å; V162-L234 HydrophobicContact CG1-CD1 4.29Å; V162-L234 HydrophobicContact CG2-CD1 3.7Å; V162-F237 HydrophobicContact CG2-CE1 4.43Å; V162-L238 HydrophobicContact CG2-CD2 4.4Å
163H98.8Very high98.1Very high0 Ų019.2 Ų19.20%010%0.096CC..EExtended strand (participates in β ladder)trans-90.5105.6178.8-178.3-148.7000110.1F146 V165 M203 T216 T217 I218F146-H163 HydrophobicContact CD1-CB 4.12Å; F146-H163 AromaticContact CD1-CD2 3.91Å; F146-H163 HydrophobicContact CE1-CB 3.69Å; H163-V165 WeakPolarHBondContact CE1-CG1 3.36Å; H163-M203 WeakPolarHBondContact NE2-CB 3.48Å; H163-T216 PolarHBondContact N-O 3.1Å; H163-T217 PolarHBondContact ND1-OG1 3.37Å; H163-T217 VanDerWaalsContact ND1-OG1 3.15Å; H163-T217 CarbonylContact O-C 3.54Å; H163-T217 VanDerWaalsContact O-CA 3.31Å; H163-T217 WeakPolarHBondContact O-CA 3.23Å; H163-I218 PolarHBondContact O-N 3.33Å
164M98.8Very high98.1Very high0 Ų019.4 Ų19.40%010%0.097CC..EExtended strand (participates in β ladder)trans-82.2124.9173.4-63.1-54.9-5600110.5I57 G58 S63 T65 M68 V162 I218 L223I57-M164 HydrophobicContact CG2-CG 4.21Å; G58-M164 PolarHBondContact O-N 3.04Å; S63-M164 PolarHBondContact OG-O 3.19Å; T65-M164 HydrophobicContact CG2-CB 3.84Å; T65-M164 HydrophobicContact CG2-CG 4.06Å; M68-M164 HydrophobicContact CB-CE 4.47Å; M68-M164 HydrophobicContact CB-CG 4.04Å; M68-M164 HydrophobicContact CB-SD 3.81Å; M68-M164 HydrophobicContact CE-CE 4.25Å; M68-M164 HydrophobicContact CE-SD 3.63Å; M68-M164 HydrophobicContact CG-CG 4.37Å; M68-M164 HydrophobicContact CG-SD 3.88Å; V162-M164 HydrophobicContact CG1-SD 4.1Å; M164-I218 HydrophobicContact CE-CB 4.28Å; M164-I218 HydrophobicContact CE-CG2 4.02Å; M164-I218 HydrophobicContact SD-CB 3.94Å; M164-I218 HydrophobicContact SD-CG2 4.22Å; M164-L223 HydrophobicContact CE-CD2 3.91Å
165V98.8Very high98Very high1 Ų113.3 Ų13.31%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-120.5156.1172-62.90000110.2H163 V200 L204 T217 I218 K219 Y220 L305H163-V165 WeakPolarHBondContact CE1-CG1 3.36Å; V165-V200 HydrophobicContact CG1-CG1 4.16Å; V165-L204 HydrophobicContact CG1-CD2 4.37Å; V165-T217 HydrophobicContact CB-CG2 4.33Å; V165-T217 HydrophobicContact CG1-CG2 3.77Å; V165-T217 HydrophobicContact CG2-CG2 3.6Å; V165-I218 PolarHBondContact N-O 3.31Å; V165-K219 HydrophobicContact CG2-CB 4.36Å; V165-K219 HydrophobicContact CG2-CG 3.82Å; V165-K219 CarbonylContact O-C 3.39Å; V165-K219 WeakPolarHBondContact O-CA 3.49Å; V165-Y220 PolarHBondContact O-N 2.78Å; V165-L305 HydrophobicContact CB-CD1 4.25Å; V165-L305 HydrophobicContact CG2-CD1 4.47Å; V165-L305 HydrophobicContact CG2-CD2 4.05Å
166R98.6Very high97.9Very high9 Ų915 Ų153%0.0348%0.079CC..  trans-152153.6-179-174.7178.8-177.7179.91.8108.3R62 G168 A170 V171 W196 Y220 E221 S276R62-R166 WeakPolarHBondContact O-CD 3.45Å; R62-R166 PolarHBondContact O-NH1 3.33Å; R62-R166 VanDerWaalsContact O-NH1 3.17Å; R166-G168 PolarHBondContact O-N 2.82Å; R166-G168 VanDerWaalsContact O-N 3.16Å; R166-A170 HydrophobicContact CG-CB 4.33Å; R166-V171 HydrophobicContact CB-CG2 3.82Å; R166-V171 HydrophobicContact CG-CG2 4.08Å; R166-W196 WeakPolarHBondContact O-CZ2 3.44Å; R166-Y220 HydrophobicContact CG-CD1 3.89Å; R166-Y220 HydrophobicContact CG-CG 4.13Å; R166-E221 WeakPolarHBondContact CG-OE1 3.27Å; R166-S276 PolarHBondContact NH2-O 2.94Å
167D98.5Very high97.8Very high0 Ų019.1 Ų19.10%010%0.097CC..  trans-49122.2172.7-169.7-41.5000110.9R169 A170 V171 E221 Y307 Y316D167-R169 PolarHBondContact O-N 3.07Å; D167-R169 VanDerWaalsContact OD1-CB 3.31Å; D167-R169 WeakPolarHBondContact OD1-CB 3.27Å; D167-R169 IonicContact OD1-CZ 3.03Å; D167-R169 PolarHBondContact OD1-N 2.95Å; D167-R169 IonicContact OD1-NE 2.6Å; D167-R169 PolarHBondContact OD1-NE 3.04Å; D167-R169 IonicContact OD1-NH2 3.33Å; D167-R169 IonicContact OD2-CZ 3.55Å; D167-R169 IonicContact OD2-NE 3.74Å; D167-R169 PolarHBondContact OD2-NE 3.41Å; D167-R169 IonicContact OD2-NH2 3.59Å; D167-R169 PolarHBondContact OD2-NH2 3.28Å; D167-A170 HydrophobicContact CB-CB 4.1Å; D167-A170 WeakPolarHBondContact O-CA 3.32Å; D167-A170 WeakPolarHBondContact O-CB 3.37Å; D167-A170 PolarHBondContact O-N 3.4Å; D167-V171 WeakPolarHBondContact O-CG2 3.36Å; D167-V171 PolarHBondContact O-N 3.26Å; D167-E221 WeakPolarHBondContact CB-OE1 3.39Å; D167-E221 PolarHBondContact N-OE1 3.01Å; D167-Y307 HydrophobicContact CB-CD1 4.33Å; D167-Y307 HydrophobicContact CB-CD2 4.31Å; D167-Y307 HydrophobicContact CB-CE1 4.39Å; D167-Y307 HydrophobicContact CB-CE2 4.39Å; D167-Y307 HydrophobicContact CB-CG 4.28Å; D167-Y316 HydrophobicContact CB-CE1 4.23Å; D167-Y316 VanDerWaalsContact CB-OH 3.27Å; D167-Y316 WeakPolarHBondContact CB-OH 3.41Å; D167-Y316 VanDerWaalsContact CG-OH 3.22Å; D167-Y316 PolarHBondContact OD2-OH 2.98Å
168G98Very high97.6Very high0 Ų019.7 Ų19.70%09%0.092CC..Hα-helixtrans-56.8-33.9-177.300000112.7R166 V171 I172 W196R166-G168 PolarHBondContact O-N 2.82Å; R166-G168 VanDerWaalsContact O-N 3.16Å; G168-V171 WeakPolarHBondContact O-CB 3.47Å; G168-V171 PolarHBondContact O-N 3.11Å; G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.41Å; G168-I172 PolarHBondContact O-N 3.22Å; G168-W196 VanDerWaalsContact N-CZ2 3.31Å
169R97.8Very high97.5Very high2 Ų221.8 Ų21.81%0.00810%0.099CC..Hα-helixtrans-65.4-43.3176.7-60.4164.2-68.6-164.5-3.9110.6D167 V171 I172 N173 F193 W280 L287 F291 I295 Y307D167-R169 PolarHBondContact O-N 3.07Å; D167-R169 VanDerWaalsContact OD1-CB 3.31Å; D167-R169 WeakPolarHBondContact OD1-CB 3.27Å; D167-R169 IonicContact OD1-CZ 3.03Å; D167-R169 PolarHBondContact OD1-N 2.95Å; D167-R169 IonicContact OD1-NE 2.6Å; D167-R169 PolarHBondContact OD1-NE 3.04Å; D167-R169 IonicContact OD1-NH2 3.33Å; D167-R169 IonicContact OD2-CZ 3.55Å; D167-R169 IonicContact OD2-NE 3.74Å; D167-R169 PolarHBondContact OD2-NE 3.41Å; D167-R169 IonicContact OD2-NH2 3.59Å; D167-R169 PolarHBondContact OD2-NH2 3.28Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 2.85Å; R169-I172 PolarHBondContact O-N 3.1Å; R169-N173 WeakPolarHBondContact O-CB 3.18Å; R169-N173 PolarHBondContact O-N 2.98Å; R169-F193 HydrophobicContact CG-CE2 4.41Å; R169-W280 HydrophobicContact CB-CD2 3.71Å; R169-W280 HydrophobicContact CB-CE3 3.6Å; R169-W280 HydrophobicContact CB-CG 4.26Å; R169-W280 HydrophobicContact CB-CH2 4.33Å; R169-W280 HydrophobicContact CB-CZ2 4.36Å; R169-W280 HydrophobicContact CB-CZ3 3.95Å; R169-W280 HydrophobicContact CG-CE3 4.38Å; R169-W280 HydrophobicContact CG-CZ3 4.25Å; R169-W280 VanDerWaalsContact CZ-CH2 3.46Å; R169-L287 HydrophobicContact CB-CD1 4.36Å; R169-F291 HydrophobicContact CB-CE1 4.43Å; R169-F291 HydrophobicContact CG-CE1 4.03Å; R169-I295 HydrophobicContact CG-CG2 3.73Å; R169-Y307 PolarHBondContact NH2-O 2.93Å
170A98.1Very high97.2Very high0 Ų022.5 Ų22.50%010%0.103CC..Hα-helixtrans-63.5-39.7174.700000112.4R166 D167 S174 W280R166-A170 HydrophobicContact CG-CB 4.33Å; D167-A170 HydrophobicContact CB-CB 4.1Å; D167-A170 WeakPolarHBondContact O-CA 3.32Å; D167-A170 WeakPolarHBondContact O-CB 3.37Å; D167-A170 PolarHBondContact O-N 3.4Å; A170-S174 WeakPolarHBondContact O-CB 3.04Å; A170-S174 PolarHBondContact O-N 2.96Å; A170-W280 VanDerWaalsContact CB-CD1 3.48Å; A170-W280 HydrophobicContact CB-CG 4.17Å
171V98.2Very high96.8Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-62.1-51.9175.7172.50000110.8Y60 R62 R166 D167 G168 R169 S174 L175Y60-V171 HydrophobicContact CD1-CG1 3.65Å; Y60-V171 HydrophobicContact CE1-CG1 3.98Å; R62-V171 HydrophobicContact CB-CG1 4.39Å; R166-V171 HydrophobicContact CB-CG2 3.82Å; R166-V171 HydrophobicContact CG-CG2 4.08Å; D167-V171 WeakPolarHBondContact O-CG2 3.36Å; D167-V171 PolarHBondContact O-N 3.26Å; G168-V171 WeakPolarHBondContact O-CB 3.47Å; G168-V171 PolarHBondContact O-N 3.11Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 2.85Å; V171-S174 PolarHBondContact O-N 3.49Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 HydrophobicContact CG1-CG 4.48Å; V171-L175 WeakPolarHBondContact O-CG 3.06Å; V171-L175 PolarHBondContact O-N 2.98Å
172I97.9Very high96.5Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-64.6-45.3-177.7-59.1-36.6000111.1G168 R169 S174 L175 V176 I189 R192 F193 W196 L287G168-I172 VanDerWaalsContact O-CG1 3.3Å; G168-I172 WeakPolarHBondContact O-CG1 3.41Å; G168-I172 PolarHBondContact O-N 3.22Å; R169-I172 PolarHBondContact O-N 3.1Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.14Å; I172-L175 HydrophobicContact CD1-CD1 4Å; I172-L175 PolarHBondContact O-N 2.04Å; I172-L175 VanDerWaalsContact O-N 3.16Å; I172-V176 HydrophobicContact CG2-CG2 4.36Å; I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 2.69Å; I172-I189 HydrophobicContact CG2-CG2 4.06Å; I172-R192 HydrophobicContact CD1-CB 3.92Å; I172-R192 HydrophobicContact CG2-CB 4.32Å; I172-F193 HydrophobicContact CG1-CB 4Å; I172-F193 HydrophobicContact CG1-CD2 4.1Å; I172-W196 HydrophobicContact CD1-CB 4.11Å; I172-L287 HydrophobicContact CB-CD2 4.34Å; I172-L287 HydrophobicContact CG2-CD2 3.91Å
173N97.7Very high95.9Very high3 Ų337.3 Ų37.32%0.01618%0.181CC..Hα-helixtrans-53.7-46.6173.7-178.456.4000111R169 L175 V176 K177 W280 S285 V286 L287R169-N173 WeakPolarHBondContact O-CB 3.18Å; R169-N173 PolarHBondContact O-N 2.98Å; N173-L175 PolarHBondContact O-N 3.37Å; N173-V176 PolarHBondContact O-N 2.86Å; N173-K177 VanDerWaalsContact O-CB 3.23Å; N173-K177 WeakPolarHBondContact O-CB 3.35Å; N173-K177 PolarHBondContact O-N 3.12Å; N173-W280 HydrophobicContact CB-CB 3.67Å; N173-S285 PolarHBondContact OD1-OG 3.16Å; N173-V286 WeakPolarHBondContact OD1-CG2 3.33Å; N173-V286 PolarHBondContact OD1-N 3.07Å; N173-V286 VanDerWaalsContact OD1-N 3.07Å; N173-L287 HydrophobicContact CB-CD1 3.89Å; N173-L287 HydrophobicContact CB-CD2 4.37Å; N173-L287 HydrophobicContact CB-CG 3.95Å
174S97Very high95.4Very high13 Ų1341 Ų419%0.09122%0.22CC..Hα-helixtrans-65.5-38.6179.5-177.10000113.4R62 A170 V171 I172 R178R62-S174 PolarHBondContact NE-OG 2.83Å; R62-S174 PolarHBondContact NH2-OG 2.94Å; A170-S174 WeakPolarHBondContact O-CB 3.04Å; A170-S174 PolarHBondContact O-N 2.96Å; V171-S174 PolarHBondContact O-N 3.49Å; I172-S174 VanDerWaalsContact C-N 3.26Å; I172-S174 PolarHBondContact O-N 3.14Å; S174-R178 WeakPolarHBondContact O-CB 3.47Å; S174-R178 PolarHBondContact O-N 3.05Å
175L96.8Very high95Very high3 Ų342.5 Ų42.52%0.01623%0.227CC..Hα-helixtrans-64.5-44178.7-72.6166.4000111.3Y60 R62 V171 I172 N173 K179 V180 I182Y60-L175 HydrophobicContact CE1-CD1 3.97Å; R62-L175 HydrophobicContact CG-CD2 3.46Å; R62-L175 VanDerWaalsContact CG-CD2 3.46Å; R62-L175 HydrophobicContact CG-CG 3.89Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 HydrophobicContact CG1-CG 4.48Å; V171-L175 WeakPolarHBondContact O-CG 3.06Å; V171-L175 PolarHBondContact O-N 2.98Å; I172-L175 HydrophobicContact CD1-CD1 4Å; I172-L175 PolarHBondContact O-N 2.04Å; I172-L175 VanDerWaalsContact O-N 3.16Å; N173-L175 PolarHBondContact O-N 3.37Å; L175-K179 PolarHBondContact O-N 3.49Å; L175-V180 HydrophobicContact CD2-CB 3.93Å; L175-V180 HydrophobicContact CD2-CG1 3.84Å; L175-V180 PolarHBondContact O-N 2.65Å; L175-I182 HydrophobicContact CD1-CD1 4.26Å; L175-I182 HydrophobicContact CD2-CD1 3.96Å; L175-I182 HydrophobicContact CD2-CG1 4.26Å
176V96.3Very high94.7Very high45 Ų4544 Ų4427%0.27324%0.237SC..Hα-helixtrans-72.4-52.9-178.4179.30000110.3I172 N173 R178 K179 I189 V286I172-V176 HydrophobicContact CG2-CG2 4.36Å; I172-V176 WeakPolarHBondContact O-CG2 3.46Å; I172-V176 PolarHBondContact O-N 2.69Å; N173-V176 PolarHBondContact O-N 2.86Å; V176-R178 VanDerWaalsContact C-N 3.3Å; V176-R178 PolarHBondContact O-N 2.92Å; V176-K179 PolarHBondContact O-N 3.23Å; V176-I189 HydrophobicContact CG2-CG1 4.31Å; V176-V286 HydrophobicContact CB-CG2 3.62Å; V176-V286 HydrophobicContact CG1-CB 4.21Å; V176-V286 HydrophobicContact CG1-CG2 3.56Å
177K94.6Very high94.4Very high94 Ų9452.1 Ų52.141%0.40927%0.272SS..Hα-helixtrans-57.7-40.8-177.7-172.2176.5179.4-175.70112.1N173 V286 F340N173-K177 VanDerWaalsContact O-CB 3.23Å; N173-K177 WeakPolarHBondContact O-CB 3.35Å; N173-K177 PolarHBondContact O-N 3.12Å; K177-V286 HydrophobicContact CB-CG1 4.21Å; K177-V286 HydrophobicContact CB-CG2 4.23Å; K177-V286 HydrophobicContact CG-CG1 4.44Å; K177-F340 PolarHBondContact NZ-OXT 2.79Å
178R92.9Very high94.2Very high70 Ų7057.3 Ų57.326%0.26430%0.299SS..THydrogen-bonded Turntrans-92.66.2179.9-60.8-177.276.2113.4-7.8114.2R62 S174 V176 V180 P263 S266 Q267R62-R178 VanDerWaalsContact NH2-CD 3.33Å; S174-R178 WeakPolarHBondContact O-CB 3.47Å; S174-R178 PolarHBondContact O-N 3.05Å; V176-R178 VanDerWaalsContact C-N 3.3Å; V176-R178 PolarHBondContact O-N 2.92Å; R178-V180 HydrophobicContact CB-CG2 3.99Å; R178-V180 PolarHBondContact O-N 3.46Å; R178-P263 PolarHBondContact NE-O 3.18Å; R178-P263 PolarHBondContact NH2-O 3.28Å; R178-S266 PolarHBondContact NH2-OG 3.19Å; R178-Q267 VanDerWaalsContact CZ-OE1 3.22Å; R178-Q267 VanDerWaalsContact NH1-OE1 3.16Å
179K93.5Very high94.1Very high191 Ų19158.8 Ų58.883%0.8331%0.307SS*.THydrogen-bonded Turntrans52.636.7179.7-56.4178.1-179.2177.50113.2L175 V176L175-K179 PolarHBondContact O-N 3.49Å; V176-K179 PolarHBondContact O-N 3.23Å
180V92.9Very high94.1Very high18 Ų1863.6 Ų63.611%0.10933%0.333CS..  trans-81.8120.8178.1177.10000108.6L175 R178 P263L175-V180 HydrophobicContact CD2-CB 3.93Å; L175-V180 HydrophobicContact CD2-CG1 3.84Å; L175-V180 PolarHBondContact O-N 2.65Å; R178-V180 HydrophobicContact CB-CG2 3.99Å; R178-V180 PolarHBondContact O-N 3.46Å; V180-P263 HydrophobicContact CG1-CG 4.16Å; V180-P263 HydrophobicContact CG2-CB 3.54Å; V180-P263 HydrophobicContact CG2-CG 3.84Å
181S90.5Very high94Very high105 Ų10568.2 Ų68.273%0.73435%0.354SS*.  trans-99137.3175.459.20000110.8
182I91.3Very high93.9Very high23 Ų2370.2 Ų70.212%0.11836%0.362CS..  trans-109.3131.2170.2-53.8168000106.3Y60 P61 L144 L175 G184 E185Y60-I182 HydrophobicContact CD1-CD1 4.46Å; Y60-I182 HydrophobicContact CE1-CD1 3.59Å; P61-I182 HydrophobicContact CB-CD1 3.85Å; P61-I182 HydrophobicContact CB-CG1 4.19Å; P61-I182 HydrophobicContact CG-CD1 3.71Å; P61-I182 HydrophobicContact CG-CG1 4.07Å; L144-I182 HydrophobicContact CD1-CG2 3.87Å; L175-I182 HydrophobicContact CD1-CD1 4.26Å; L175-I182 HydrophobicContact CD2-CD1 3.96Å; L175-I182 HydrophobicContact CD2-CG1 4.26Å; I182-G184 PolarHBondContact O-N 3.12Å; I182-E185 HydrophobicContact CB-CB 4Å; I182-E185 HydrophobicContact CB-CG 3.67Å; I182-E185 HydrophobicContact CG2-CG 3.65Å; I182-E185 WeakPolarHBondContact O-CB 3.4Å; I182-E185 PolarHBondContact O-N 3.27Å
183K87.8Confident93.9Very high206 Ų20670.3 Ų70.390%0.89636%0.362SS*.THydrogen-bonded Turntrans-63.6128.7-173.1-173.4-177.8178.5-177.10110.3E185K183-E185 VanDerWaalsContact C-N 3.28Å
184G88.1Confident93.9Very high79 Ų7976.2 Ų76.281%0.81439%0.388SS*.THydrogen-bonded Turntrans79.29179.100000114.3I182I182-G184 PolarHBondContact O-N 3.12Å
185E88.8Confident93.9Very high30 Ų3076.2 Ų76.214%0.1439%0.389CS..  trans-97.6150.3-178.8-68.8-113.6-141.800112.5Y60 I182 K183 A195 R199Y60-E185 PolarHBondContact OH-OE1 2.96Å; Y60-E185 PolarHBondContact OH-OE2 3.35Å; I182-E185 HydrophobicContact CB-CB 4Å; I182-E185 HydrophobicContact CB-CG 3.67Å; I182-E185 HydrophobicContact CG2-CG 3.65Å; I182-E185 WeakPolarHBondContact O-CB 3.4Å; I182-E185 PolarHBondContact O-N 3.27Å; K183-E185 VanDerWaalsContact C-N 3.28Å; E185-A195 WeakPolarHBondContact OE2-CB 3.47Å; E185-R199 VanDerWaalsContact CD-NH2 3.35Å; E185-R199 IonicContact OE1-CZ 3.83Å; E185-R199 IonicContact OE1-NE 2.73Å; E185-R199 IonicContact OE1-NH1 3.18Å; E185-R199 PolarHBondContact OE1-NH1 2.81Å; E185-R199 IonicContact OE1-NH2 2.75Å; E185-R199 PolarHBondContact OE1-NH2 2.91Å; E185-R199 IonicContact OE2-CZ 3.52Å; E185-R199 IonicContact OE2-NH1 2.7Å; E185-R199 PolarHBondContact OE2-NH1 2.7Å; E185-R199 IonicContact OE2-NH2 2.79Å
186P93.1Very high93.9Very high34 Ų3476.1 Ų76.122%0.22139%0.388CS..  trans-66.2165.1-177.225.5-33.1000113.1E191 R192 A195P186-E191 HydrophobicContact CB-CB 3.39Å; P186-E191 HydrophobicContact CB-CG 4.32Å; P186-E191 WeakPolarHBondContact CB-OE2 3.3Å; P186-E191 HydrophobicContact CG-CB 3.56Å; P186-E191 VanDerWaalsContact CG-O 3.32Å; P186-E191 WeakPolarHBondContact CG-O 3.4Å; P186-R192 HydrophobicContact CG-CG 4.26Å; P186-R192 WeakPolarHBondContact O-CG 3.13Å; P186-R192 PolarHBondContact O-NE 3.03Å; P186-A195 HydrophobicContact CG-CB 4.13Å
187K91.8Very high94Very high178 Ų17875.3 Ų75.377%0.77438%0.381SS*.SBendtrans-99-32.8-178.4-68.3-176.4-178.7176.80112.9R192K187-R192 PolarHBondContact O-NE 2.9Å
188L95.6Very high94.1Very high110 Ų11073.9 Ų73.958%0.57638%0.378SS*.SBendtrans-74.2149.6-177.9-59.3-178.5000111E191 R192L188-E191 HydrophobicContact CB-CB 4.32Å; L188-E191 HydrophobicContact CB-CG 4.05Å; L188-E191 PolarHBondContact O-N 3.19Å; L188-R192 WeakPolarHBondContact O-CB 3.41Å; L188-R192 VanDerWaalsContact O-CG 3.25Å; L188-R192 WeakPolarHBondContact O-CG 3.3Å; L188-R192 PolarHBondContact O-N 2.87Å
189I96.6Very high94.3Very high31 Ų3173.4 Ų73.416%0.15938%0.377CS..Hα-helixtrans-62.2-48.4-174-74173.1000111.2I172 V176 E191 R192 F193 L287 P288 F291I172-I189 HydrophobicContact CG2-CG2 4.06Å; V176-I189 HydrophobicContact CG2-CG1 4.31Å; I189-E191 PolarHBondContact O-N 3.31Å; I189-R192 PolarHBondContact O-N 3.04Å; I189-F193 PolarHBondContact O-N 3.27Å; I189-L287 HydrophobicContact CD1-CD2 4.2Å; I189-L287 HydrophobicContact CG2-CD2 3.9Å; I189-P288 VanDerWaalsContact CD1-CD 3.48Å; I189-P288 HydrophobicContact CD1-CG 4.23Å; I189-F291 HydrophobicContact CG2-CD1 4.28Å; I189-F291 HydrophobicContact CG2-CD2 3.7Å; I189-F291 HydrophobicContact CG2-CE1 4.35Å; I189-F291 HydrophobicContact CG2-CE2 3.77Å; I189-F291 HydrophobicContact CG2-CG 3.95Å; I189-F291 HydrophobicContact CG2-CZ 4.1Å
190D95.9Very high94.5Very high102 Ų10264.4 Ų64.455%0.54534%0.338SS..Hα-helixtrans-63.3-44.3-179.4-55.1-55.8000111.5R192 F193 F194 F291D190-R192 VanDerWaalsContact C-N 3.35Å; D190-R192 PolarHBondContact O-N 3.43Å; D190-F193 PolarHBondContact O-N 3.3Å; D190-F194 PolarHBondContact O-N 2.92Å; D190-F291 VanDerWaalsContact OD1-CD2 3.31Å; D190-F291 WeakPolarHBondContact OD1-CD2 3.33Å
191E96.3Very high94.8Very high97 Ų9764.3 Ų64.345%0.45334%0.34SS..Hα-helixtrans-64-39.2177.1-62.3178169.400111.9P186 L188 I189 F193 F194 A195P186-E191 HydrophobicContact CB-CB 3.39Å; P186-E191 HydrophobicContact CB-CG 4.32Å; P186-E191 WeakPolarHBondContact CB-OE2 3.3Å; P186-E191 HydrophobicContact CG-CB 3.56Å; P186-E191 VanDerWaalsContact CG-O 3.32Å; P186-E191 WeakPolarHBondContact CG-O 3.4Å; L188-E191 HydrophobicContact CB-CB 4.32Å; L188-E191 HydrophobicContact CB-CG 4.05Å; L188-E191 PolarHBondContact O-N 3.19Å; I189-E191 PolarHBondContact O-N 3.31Å; E191-F193 VanDerWaalsContact C-N 3.35Å; E191-F194 PolarHBondContact O-N 3.39Å; E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 2.98Å
192R97.1Very high95.2Very high42 Ų4264.5 Ų64.516%0.15833%0.329CS..Hα-helixtrans-64.1-41.6174.5-76.6177175.7-1504.4111.4I172 P186 K187 L188 I189 D190 A195 W196I172-R192 HydrophobicContact CD1-CB 3.92Å; I172-R192 HydrophobicContact CG2-CB 4.32Å; P186-R192 HydrophobicContact CG-CG 4.26Å; P186-R192 WeakPolarHBondContact O-CG 3.13Å; P186-R192 PolarHBondContact O-NE 3.03Å; K187-R192 PolarHBondContact O-NE 2.9Å; L188-R192 WeakPolarHBondContact O-CB 3.41Å; L188-R192 VanDerWaalsContact O-CG 3.25Å; L188-R192 WeakPolarHBondContact O-CG 3.3Å; L188-R192 PolarHBondContact O-N 2.87Å; I189-R192 PolarHBondContact O-N 3.04Å; D190-R192 VanDerWaalsContact C-N 3.35Å; D190-R192 PolarHBondContact O-N 3.43Å; R192-A195 PolarHBondContact O-N 3.42Å; R192-W196 PolarHBondContact O-N 3.3Å
193F97.7Very high95.5Very high2 Ų263.5 Ų63.51%0.00932%0.324CS..Hα-helixtrans-63.3-46.3176.5-176.7-89.5000111.1R169 I172 I189 D190 E191 A195 W196 E197 F291 I295 L302R169-F193 HydrophobicContact CG-CE2 4.41Å; I172-F193 HydrophobicContact CG1-CB 4Å; I172-F193 HydrophobicContact CG1-CD2 4.1Å; I189-F193 PolarHBondContact O-N 3.27Å; D190-F193 PolarHBondContact O-N 3.3Å; E191-F193 VanDerWaalsContact C-N 3.35Å; F193-A195 VanDerWaalsContact C-N 3.27Å; F193-A195 PolarHBondContact O-N 3.11Å; F193-W196 HydrophobicContact CD2-CE3 4.08Å; F193-W196 HydrophobicContact CD2-CZ3 4.49Å; F193-W196 HydrophobicContact CE1-CE3 4.4Å; F193-W196 HydrophobicContact CE1-CZ3 4.34Å; F193-W196 AromaticContact CE2-CE3 3.75Å; F193-W196 HydrophobicContact CE2-CE3 3.75Å; F193-W196 AromaticContact CE2-CZ3 3.72Å; F193-W196 HydrophobicContact CE2-CZ3 3.72Å; F193-W196 AromaticContact CZ-CE3 3.92Å; F193-W196 HydrophobicContact CZ-CE3 3.92Å; F193-W196 AromaticContact CZ-CZ3 3.62Å; F193-W196 HydrophobicContact CZ-CZ3 3.62Å; F193-W196 WeakPolarHBondContact O-CB 3.5Å; F193-W196 PolarHBondContact O-N 3.37Å; F193-W196 VanDerWaalsContact O-N 3.15Å; F193-E197 WeakPolarHBondContact O-CB 3.22Å; F193-E197 PolarHBondContact O-N 3.21Å; F193-F291 HydrophobicContact CB-CE2 3.74Å; F193-F291 HydrophobicContact CB-CZ 3.78Å; F193-F291 HydrophobicContact CD2-CE2 4.21Å; F193-F291 AromaticContact CD2-CZ 3.55Å; F193-F291 HydrophobicContact CD2-CZ 3.55Å; F193-F291 HydrophobicContact CE2-CZ 4.33Å; F193-F291 AromaticContact CG-CE2 3.94Å; F193-F291 HydrophobicContact CG-CE2 3.94Å; F193-F291 AromaticContact CG-CZ 3.75Å; F193-F291 HydrophobicContact CG-CZ 3.75Å; F193-I295 HydrophobicContact CD1-CD1 3.61Å; F193-I295 HydrophobicContact CD1-CG1 3.51Å; F193-I295 HydrophobicContact CD2-CG1 4.12Å; F193-I295 HydrophobicContact CE1-CD1 3.77Å; F193-I295 HydrophobicContact CE1-CG1 3.39Å; F193-I295 HydrophobicContact CE2-CG1 3.97Å; F193-I295 HydrophobicContact CG-CD1 4.24Å; F193-I295 HydrophobicContact CG-CG1 3.88Å; F193-I295 HydrophobicContact CZ-CD1 4.48Å; F193-I295 HydrophobicContact CZ-CG1 3.61Å; F193-L302 HydrophobicContact CE2-CD1 4.01Å; F193-L302 HydrophobicContact CE2-CG 4.42Å; F193-L302 HydrophobicContact CZ-CD1 3.62Å; F193-L302 HydrophobicContact CZ-CG 3.96Å
194F96.8Very high96Very high127 Ų12755.2 Ų55.256%0.55729%0.29SS*.Hα-helixtrans-59.7-38.9175.2-176.5-110.4000112.2D190 E191 E197 N198D190-F194 PolarHBondContact O-N 2.92Å; E191-F194 PolarHBondContact O-N 3.39Å; F194-E197 PolarHBondContact O-N 3.23Å; F194-N198 WeakPolarHBondContact CD1-ND2 3.48Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.41Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.42Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.49Å; F194-N198 WeakPolarHBondContact O-CB 3.32Å; F194-N198 PolarHBondContact O-N 3.47Å; F194-N198 PolarHBondContact O-ND2 3.18Å
195A96.8Very high96.5Very high13 Ų1359.1 Ų59.111%0.10728%0.284CS..Hα-helixtrans-71.6-31.5177.600000113.2E185 P186 E191 R192 F193 R199E185-A195 WeakPolarHBondContact OE2-CB 3.47Å; P186-A195 HydrophobicContact CG-CB 4.13Å; E191-A195 VanDerWaalsContact O-CB 3.31Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 2.98Å; R192-A195 PolarHBondContact O-N 3.42Å; F193-A195 VanDerWaalsContact C-N 3.27Å; F193-A195 PolarHBondContact O-N 3.11Å; A195-R199 WeakPolarHBondContact O-CG 3.39Å; A195-R199 PolarHBondContact O-N 3.3Å; A195-R199 PolarHBondContact O-NH1 3.11Å
196W97.8Very high97Very high1 Ų158.3 Ų58.30%0.00428%0.282CS..Hα-helixtrans-63.7-51.7167165.687.9000110.8Y60 R166 G168 I172 R192 F193 N198 R199 V200 V301 L302Y60-W196 AromaticContact CD1-CD1 3.69Å; Y60-W196 HydrophobicContact CD2-CB 4.47Å; Y60-W196 HydrophobicContact CE1-CB 4.22Å; Y60-W196 HydrophobicContact CE2-CB 4.19Å; Y60-W196 AromaticContact CG-CD1 3.67Å; R166-W196 WeakPolarHBondContact O-CZ2 3.44Å; G168-W196 VanDerWaalsContact N-CZ2 3.31Å; I172-W196 HydrophobicContact CD1-CB 4.11Å; R192-W196 PolarHBondContact O-N 3.3Å; F193-W196 HydrophobicContact CD2-CE3 4.08Å; F193-W196 HydrophobicContact CD2-CZ3 4.49Å; F193-W196 HydrophobicContact CE1-CE3 4.4Å; F193-W196 HydrophobicContact CE1-CZ3 4.34Å; F193-W196 AromaticContact CE2-CE3 3.75Å; F193-W196 HydrophobicContact CE2-CE3 3.75Å; F193-W196 AromaticContact CE2-CZ3 3.72Å; F193-W196 HydrophobicContact CE2-CZ3 3.72Å; F193-W196 AromaticContact CZ-CE3 3.92Å; F193-W196 HydrophobicContact CZ-CE3 3.92Å; F193-W196 AromaticContact CZ-CZ3 3.62Å; F193-W196 HydrophobicContact CZ-CZ3 3.62Å; F193-W196 WeakPolarHBondContact O-CB 3.5Å; F193-W196 PolarHBondContact O-N 3.37Å; F193-W196 VanDerWaalsContact O-N 3.15Å; W196-N198 PolarHBondContact O-N 3.46Å; W196-R199 PolarHBondContact O-N 3.22Å; W196-V200 HydrophobicContact CD2-CG2 4.37Å; W196-V200 HydrophobicContact CG-CG2 4.28Å; W196-V200 HydrophobicContact CZ2-CG1 4.48Å; W196-V200 HydrophobicContact CZ2-CG2 4.41Å; W196-V200 WeakPolarHBondContact O-CB 3.45Å; W196-V200 WeakPolarHBondContact O-CG2 3.49Å; W196-V200 PolarHBondContact O-N 3.4Å; W196-V301 HydrophobicContact CH2-CB 4.18Å; W196-V301 HydrophobicContact CH2-CG1 3.56Å; W196-V301 HydrophobicContact CZ2-CG1 4.11Å; W196-V301 HydrophobicContact CZ3-CB 4.24Å; W196-V301 HydrophobicContact CZ3-CG1 4.05Å; W196-L302 HydrophobicContact CH2-CD2 3.67Å; W196-L302 HydrophobicContact CH2-CG 4.12Å; W196-L302 HydrophobicContact CZ3-CD2 4.16Å; W196-L302 HydrophobicContact CZ3-CG 4.21Å
197E97.8Very high97.3Very high28 Ų2857 Ų5713%0.13127%0.274CS..Hα-helixtrans-57.4-50.2-177.7172.6155.9-125.300111.4F193 F194 R199 G201 S299 D300 V301F193-E197 WeakPolarHBondContact O-CB 3.22Å; F193-E197 PolarHBondContact O-N 3.21Å; F194-E197 PolarHBondContact O-N 3.23Å; E197-R199 PolarHBondContact O-N 2.73Å; E197-G201 PolarHBondContact O-N 3.15Å; E197-S299 WeakPolarHBondContact OE1-CA 3.44Å; E197-S299 VanDerWaalsContact OE1-CB 3.28Å; E197-S299 WeakPolarHBondContact OE1-CB 3.48Å; E197-S299 PolarHBondContact OE1-OG 3.26Å; E197-D300 PolarHBondContact OE1-N 2.88Å; E197-V301 HydrophobicContact CG-CB 4.08Å; E197-V301 HydrophobicContact CG-CG2 3.77Å; E197-V301 PolarHBondContact OE1-N 2.86Å
198N97.3Very high97.6Very high65 Ų6552.1 Ų52.135%0.34827%0.267SS..Hα-helixtrans-59.6-44.2178.8-75.7-52.7000112.8F194 W196 Q202F194-N198 WeakPolarHBondContact CD1-ND2 3.48Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.41Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.42Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.49Å; F194-N198 WeakPolarHBondContact O-CB 3.32Å; F194-N198 PolarHBondContact O-N 3.47Å; F194-N198 PolarHBondContact O-ND2 3.18Å; W196-N198 PolarHBondContact O-N 3.46Å; N198-Q202 VanDerWaalsContact O-CG 3.23Å; N198-Q202 WeakPolarHBondContact O-CG 3.46Å; N198-Q202 PolarHBondContact O-N 3.08Å; N198-Q202 VanDerWaalsContact O-N 3.1Å
199R97.3Very high97.7Very high60 Ų6050.2 Ų50.223%0.22627%0.267CS..Hα-helixtrans-73.2-44-177.6-73.1-167.9-173.983.4-15.1112.1Y60 E185 A195 W196 E197 G201 Q202 M203Y60-R199 HydrophobicContact CD2-CB 3.97Å; Y60-R199 HydrophobicContact CE2-CB 4.13Å; Y60-R199 HydrophobicContact CE2-CG 4.46Å; E185-R199 VanDerWaalsContact CD-NH2 3.35Å; E185-R199 IonicContact OE1-CZ 3.83Å; E185-R199 IonicContact OE1-NE 2.73Å; E185-R199 IonicContact OE1-NH1 3.18Å; E185-R199 PolarHBondContact OE1-NH1 2.81Å; E185-R199 IonicContact OE1-NH2 2.75Å; E185-R199 PolarHBondContact OE1-NH2 2.91Å; E185-R199 IonicContact OE2-CZ 3.52Å; E185-R199 IonicContact OE2-NH1 2.7Å; E185-R199 PolarHBondContact OE2-NH1 2.7Å; E185-R199 IonicContact OE2-NH2 2.79Å; A195-R199 WeakPolarHBondContact O-CG 3.39Å; A195-R199 PolarHBondContact O-N 3.3Å; A195-R199 PolarHBondContact O-NH1 3.11Å; W196-R199 PolarHBondContact O-N 3.22Å; E197-R199 PolarHBondContact O-N 2.73Å; R199-G201 VanDerWaalsContact C-N 3.35Å; R199-Q202 PolarHBondContact O-N 2.71Å; R199-M203 HydrophobicContact CB-CE 4.5Å; R199-M203 VanDerWaalsContact O-CG 3.25Å; R199-M203 WeakPolarHBondContact O-CG 3.27Å; R199-M203 PolarHBondContact O-N 3.06Å
200V98.5Very high97.8Very high2 Ų250.1 Ų50.11%0.01227%0.267CS..Hα-helixtrans-65.4-41.5177.3174.20000110.5Y60 V165 W196 Q202 M203 L204 V301 L305Y60-V200 HydrophobicContact CD2-CG2 4.44Å; Y60-V200 HydrophobicContact CG-CG2 4.41Å; V165-V200 HydrophobicContact CG1-CG1 4.16Å; W196-V200 HydrophobicContact CD2-CG2 4.37Å; W196-V200 HydrophobicContact CG-CG2 4.28Å; W196-V200 HydrophobicContact CZ2-CG1 4.48Å; W196-V200 HydrophobicContact CZ2-CG2 4.41Å; W196-V200 WeakPolarHBondContact O-CB 3.45Å; W196-V200 WeakPolarHBondContact O-CG2 3.49Å; W196-V200 PolarHBondContact O-N 3.4Å; V200-Q202 VanDerWaalsContact C-N 3.31Å; V200-Q202 PolarHBondContact O-N 3.47Å; V200-M203 PolarHBondContact O-N 3.18Å; V200-L204 HydrophobicContact CG1-CD1 4.05Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CB 3.46Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.16Å; V200-L204 PolarHBondContact O-N 3.33Å; V200-V301 HydrophobicContact CB-CG1 4.2Å; V200-V301 HydrophobicContact CG1-CG1 3.72Å; V200-L305 HydrophobicContact CG1-CD1 4.2Å
201G98.4Very high98Very high16 Ų1646 Ų4617%0.16525%0.25CC..Hα-helixtrans-58.2-40.817400000112.9E197 R199 K205E197-G201 PolarHBondContact O-N 3.15Å; R199-G201 VanDerWaalsContact C-N 3.35Å; G201-K205 WeakPolarHBondContact O-CG 3.31Å; G201-K205 PolarHBondContact O-N 3.43Å
202Q98.2Very high98.1Very high108 Ų10846.9 Ų46.951%0.50526%0.263SS..Hα-helixtrans-65-47.5173-73168.328.400112N198 R199 V200 L204 K205 S206N198-Q202 VanDerWaalsContact O-CG 3.23Å; N198-Q202 WeakPolarHBondContact O-CG 3.46Å; N198-Q202 PolarHBondContact O-N 3.08Å; N198-Q202 VanDerWaalsContact O-N 3.1Å; R199-Q202 PolarHBondContact O-N 2.71Å; V200-Q202 VanDerWaalsContact C-N 3.31Å; V200-Q202 PolarHBondContact O-N 3.47Å; Q202-L204 VanDerWaalsContact C-N 3.31Å; Q202-L204 PolarHBondContact O-N 3.01Å; Q202-K205 PolarHBondContact O-N 3.32Å; Q202-S206 PolarHBondContact O-N 3.07Å; Q202-S206 PolarHBondContact O-OG 3.46Å
203M98.6Very high98.1Very high2 Ų253.3 Ų53.31%0.0129%0.292CS..Hα-helixtrans-62.6-36.4179.6-67.2169.6-177.500112.5F146 I147 H163 R199 V200 S206 C207F146-M203 HydrophobicContact CB-CE 4.06Å; F146-M203 HydrophobicContact CB-CG 4.06Å; F146-M203 HydrophobicContact CB-SD 4.01Å; I147-M203 HydrophobicContact CG1-CE 3.72Å; H163-M203 WeakPolarHBondContact NE2-CB 3.48Å; R199-M203 HydrophobicContact CB-CE 4.5Å; R199-M203 VanDerWaalsContact O-CG 3.25Å; R199-M203 WeakPolarHBondContact O-CG 3.27Å; R199-M203 PolarHBondContact O-N 3.06Å; V200-M203 PolarHBondContact O-N 3.18Å; M203-S206 PolarHBondContact O-N 3.31Å; M203-C207 VanDerWaalsContact O-CB 3.27Å; M203-C207 WeakPolarHBondContact O-CB 3.27Å; M203-C207 PolarHBondContact O-N 3.15Å
204L98.6Very high98.1Very high32 Ų3255.9 Ų55.917%0.16830%0.302CS..Hα-helixtrans-61.7-46.8173.5-73.8170.2000111.5V165 V200 Q202 C207 A208 T217 V301 T304 L305V165-L204 HydrophobicContact CG1-CD2 4.37Å; V200-L204 HydrophobicContact CG1-CD1 4.05Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CB 3.46Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.16Å; V200-L204 PolarHBondContact O-N 3.33Å; Q202-L204 VanDerWaalsContact C-N 3.31Å; Q202-L204 PolarHBondContact O-N 3.01Å; L204-C207 PolarHBondContact O-N 2.9Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3.49Å; L204-T217 HydrophobicContact CD2-CG2 3.99Å; L204-V301 HydrophobicContact CD1-CG1 4.3Å; L204-T304 HydrophobicContact CD1-CG2 4.49Å; L204-L305 HydrophobicContact CD1-CD1 4.43Å; L204-L305 HydrophobicContact CD1-CD2 4.01Å; L204-L305 HydrophobicContact CD1-CG 4.19Å; L204-L305 HydrophobicContact CD2-CD2 4.01Å
205K98.6Very high98.2Very high161 Ų16150.2 Ų50.270%0.728%0.278SS*.Hα-helixtrans-62.2-46.1176.4-70.4175.8-176.8-178.80111.5G201 Q202 C207 A208 A209G201-K205 WeakPolarHBondContact O-CG 3.31Å; G201-K205 PolarHBondContact O-N 3.43Å; Q202-K205 PolarHBondContact O-N 3.32Å; K205-C207 PolarHBondContact O-N 3.32Å; K205-A208 PolarHBondContact O-N 3.4Å; K205-A209 WeakPolarHBondContact O-CB 3.15Å; K205-A209 PolarHBondContact O-N 2.85Å
206S98.7Very high98.3Very high14 Ų1451.5 Ų51.510%0.09829%0.285CS..Hα-helixtrans-64.2-39.9177.9-66.50000112.4E150 Q202 M203 A209 V210E150-S206 WeakPolarHBondContact OE1-CA 3.48Å; E150-S206 WeakPolarHBondContact OE1-CB 3.48Å; E150-S206 PolarHBondContact OE1-OG 2.94Å; Q202-S206 PolarHBondContact O-N 3.07Å; Q202-S206 PolarHBondContact O-OG 3.46Å; M203-S206 PolarHBondContact O-N 3.31Å; S206-A209 PolarHBondContact O-N 3.12Å; S206-V210 WeakPolarHBondContact O-CG2 3.38Å; S206-V210 PolarHBondContact O-N 3.46Å
207C98.7Very high98.4Very high6 Ų654 Ų544%0.04130%0.3CS..Hα-helixtrans-64.7-41.5176.4-172.30000111.4L149 M203 L204 K205 A209 V210 G211 C215 T217L149-C207 HydrophobicContact CD2-CB 3.86Å; M203-C207 VanDerWaalsContact O-CB 3.27Å; M203-C207 WeakPolarHBondContact O-CB 3.27Å; M203-C207 PolarHBondContact O-N 3.15Å; L204-C207 PolarHBondContact O-N 2.9Å; K205-C207 PolarHBondContact O-N 3.32Å; C207-A209 VanDerWaalsContact C-N 3.34Å; C207-A209 PolarHBondContact O-N 3Å; C207-V210 PolarHBondContact O-N 2.9Å; C207-G211 PolarHBondContact O-N 3.23Å; C207-G211 VanDerWaalsContact O-N 3.1Å; C207-C215 WeakPolarHBondContact CA-SG 3.48Å; C207-C215 HydrophobicContact CB-CB 4.09Å; C207-C215 WeakPolarHBondContact CB-SG 3.25Å; C207-C215 WeakPolarHBondContact SG-CB 3.2Å; C207-C215 CovalentContact SG-SG 2.04Å; C207-C215 PolarHBondContact SG-SG 3.11Å; C207-T217 PolarHBondContact SG-OG1 3.33Å
208A98.5Very high98.4Very high76 Ų7653 Ų5363%0.62830%0.296SS*.Hα-helixtrans-62-40.3172.900000112.2L204 K205 G211L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3.49Å; K205-A208 PolarHBondContact O-N 3.4Å; A208-G211 PolarHBondContact O-N 3.17Å
209A98.6Very high98.5Very high70 Ų7053.3 Ų53.358%0.57929%0.294SS*.Hα-helixtrans-66.7-36.5177.100000113.2E150 K205 S206 C207 G211E150-A209 HydrophobicContact CG-CB 4.4Å; K205-A209 WeakPolarHBondContact O-CB 3.15Å; K205-A209 PolarHBondContact O-N 2.85Å; S206-A209 PolarHBondContact O-N 3.12Å; C207-A209 VanDerWaalsContact C-N 3.34Å; C207-A209 PolarHBondContact O-N 3Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.95Å
210V98.7Very high98.6Very high28 Ų2851.3 Ų51.317%0.1729%0.286CS..Hα-helixtrans-66-32.5172.6169.80000111.6L149 A153 F161 S206 C207 R214 C215L149-V210 HydrophobicContact CD1-CG2 4.47Å; L149-V210 HydrophobicContact CG-CG2 4.13Å; A153-V210 HydrophobicContact CB-CB 4.41Å; A153-V210 HydrophobicContact CB-CG1 4.08Å; A153-V210 HydrophobicContact CB-CG2 3.44Å; A153-V210 VanDerWaalsContact CB-CG2 3.44Å; F161-V210 HydrophobicContact CD2-CG1 4.01Å; F161-V210 HydrophobicContact CE2-CG1 4.33Å; S206-V210 WeakPolarHBondContact O-CG2 3.38Å; S206-V210 PolarHBondContact O-N 3.46Å; C207-V210 PolarHBondContact O-N 2.9Å; V210-R214 HydrophobicContact CG1-CB 3.66Å; V210-C215 HydrophobicContact CB-CB 4.02Å; V210-C215 HydrophobicContact CG1-CB 3.82Å
211G98.5Very high98.6Very high17 Ų1751.3 Ų51.318%0.17529%0.286CS..  trans91.5156.5172.400000114.5C207 A208 A209 K213 R214 C215C207-G211 PolarHBondContact O-N 3.23Å; C207-G211 VanDerWaalsContact O-N 3.1Å; A208-G211 PolarHBondContact O-N 3.17Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.95Å; G211-K213 PolarHBondContact O-N 2.81Å; G211-K213 VanDerWaalsContact O-N 3.11Å; G211-R214 PolarHBondContact O-N 2.85Å; G211-C215 PolarHBondContact O-N 2.86Å
212P98.2Very high98.6Very high114 Ų11451.8 Ų51.874%0.7429%0.287SS*.THydrogen-bonded Turntrans-67.7-18.1-166.926.9-36.4000114.3R214 F237P212-R214 PolarHBondContact O-N 3.19Å; P212-F237 WeakPolarHBondContact O-CE2 3.41Å
213K98.2Very high98.6Very high177 Ų17746.7 Ų46.777%0.7726%0.263SS*.THydrogen-bonded Turntrans-70.6-23.3174.4-66.7-172.4177.8-175.30112.8K160 G211K160-K213 WeakPolarHBondContact CD-O 3.28Å; K160-K213 WeakPolarHBondContact CE-O 3.47Å; K160-K213 PolarHBondContact NZ-O 3.37Å; G211-K213 PolarHBondContact O-N 2.81Å; G211-K213 VanDerWaalsContact O-N 3.11Å
214R98.4Very high98.6Very high57 Ų5746.6 Ų46.622%0.21526%0.263CS..THydrogen-bonded Turntrans-127.2-21.2-171.5-73.7-177.160.4-163.8-4.8114.1A153 F156 P157 A159 K160 F161 V210 G211 P212A153-R214 VanDerWaalsContact CA-NH2 3.33Å; A153-R214 PolarHBondContact O-NH1 3.29Å; A153-R214 PolarHBondContact O-NH2 3.33Å; F156-R214 PolarHBondContact O-NH2 2.59Å; P157-R214 VanDerWaalsContact C-CZ 3.48Å; P157-R214 PolarHBondContact O-NE 3.26Å; P157-R214 VanDerWaalsContact O-NE 3.07Å; P157-R214 PolarHBondContact O-NH1 2.79Å; P157-R214 PolarHBondContact O-NH2 3.23Å; A159-R214 PolarHBondContact O-NE 3.06Å; A159-R214 VanDerWaalsContact O-NE 3.09Å; K160-R214 CarbonylContact C-O 3.14Å; K160-R214 WeakPolarHBondContact CA-O 3.43Å; F161-R214 WeakPolarHBondContact CD2-O 3.13Å; F161-R214 PolarHBondContact N-O 2.92Å; V210-R214 HydrophobicContact CG1-CB 3.66Å; G211-R214 PolarHBondContact O-N 2.85Å; P212-R214 PolarHBondContact O-N 3.19Å
215C98.9Very high98.6Very high7 Ų745.4 Ų45.45%0.04726%0.257CS..EExtended strand (participates in β ladder)trans-128.8130174.3-167.40000111.6F161 C207 V210 G211F161-C215 HydrophobicContact CB-CB 4.04Å; F161-C215 WeakPolarHBondContact O-CA 3.44Å; C207-C215 WeakPolarHBondContact CA-SG 3.48Å; C207-C215 HydrophobicContact CB-CB 4.09Å; C207-C215 WeakPolarHBondContact CB-SG 3.25Å; C207-C215 WeakPolarHBondContact SG-CB 3.2Å; C207-C215 CovalentContact SG-SG 2.04Å; C207-C215 PolarHBondContact SG-SG 3.11Å; V210-C215 HydrophobicContact CB-CB 4.02Å; V210-C215 HydrophobicContact CG1-CB 3.82Å; G211-C215 PolarHBondContact O-N 2.86Å
216T98.7Very high98.6Very high40 Ų4043.1 Ų43.125%0.24524%0.244CC..EExtended strand (participates in β ladder)trans-120.4142.1171-171.50000110.3F161 V162 H163 I218 L234 F237F161-T216 PolarHBondContact O-N 3.47Å; V162-T216 HydrophobicContact CG2-CG2 4.43Å; H163-T216 PolarHBondContact N-O 3.1Å; T216-I218 HydrophobicContact CG2-CD1 4.33Å; T216-I218 HydrophobicContact CG2-CG1 4.37Å; T216-L234 HydrophobicContact CG2-CD1 4.21Å; T216-F237 HydrophobicContact CG2-CD1 3.62Å; T216-F237 HydrophobicContact CG2-CD2 4.41Å; T216-F237 HydrophobicContact CG2-CE1 3.54Å; T216-F237 HydrophobicContact CG2-CE2 4.34Å; T216-F237 HydrophobicContact CG2-CG 4.06Å; T216-F237 HydrophobicContact CG2-CZ 3.92Å
217T98.7Very high98.5Very high53 Ų5342.6 Ų42.633%0.32524%0.24SC..EExtended strand (participates in β ladder)trans-107.2122.3175.1-65.90000109.7H163 V165 L204 C207H163-T217 PolarHBondContact ND1-OG1 3.37Å; H163-T217 VanDerWaalsContact ND1-OG1 3.15Å; H163-T217 CarbonylContact O-C 3.54Å; H163-T217 VanDerWaalsContact O-CA 3.31Å; H163-T217 WeakPolarHBondContact O-CA 3.23Å; V165-T217 HydrophobicContact CB-CG2 4.33Å; V165-T217 HydrophobicContact CG1-CG2 3.77Å; V165-T217 HydrophobicContact CG2-CG2 3.6Å; L204-T217 HydrophobicContact CD2-CG2 3.99Å; C207-T217 PolarHBondContact SG-OG1 3.33Å
218I98.6Very high98.5Very high9 Ų944.2 Ų44.25%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-116.9125.5-178.6-61.6177.6000109.4M68 V162 H163 M164 V165 T216 L223 L234M68-I218 HydrophobicContact CE-CD1 3.87Å; M68-I218 HydrophobicContact CE-CG2 4.4Å; V162-I218 HydrophobicContact CG1-CD1 4.05Å; H163-I218 PolarHBondContact O-N 3.33Å; M164-I218 HydrophobicContact CE-CB 4.28Å; M164-I218 HydrophobicContact CE-CG2 4.02Å; M164-I218 HydrophobicContact SD-CB 3.94Å; M164-I218 HydrophobicContact SD-CG2 4.22Å; V165-I218 PolarHBondContact N-O 3.31Å; T216-I218 HydrophobicContact CG2-CD1 4.33Å; T216-I218 HydrophobicContact CG2-CG1 4.37Å; I218-L223 HydrophobicContact CG2-CB 4.15Å; I218-L234 HydrophobicContact CD1-CB 4.18Å; I218-L234 HydrophobicContact CD1-CD1 3.94Å; I218-L234 HydrophobicContact CD1-CD2 4.15Å; I218-L234 HydrophobicContact CD1-CG 4.32Å
219K98.7Very high98.5Very high71 Ų7143.8 Ų43.831%0.30924%0.236SC..EExtended strand (participates in β ladder)trans-76.6130.5172.4-61.5179.9-170.3177.80109.6V165 E221 S222 L223 L305 Y307V165-K219 HydrophobicContact CG2-CB 4.36Å; V165-K219 HydrophobicContact CG2-CG 3.82Å; V165-K219 CarbonylContact O-C 3.39Å; V165-K219 WeakPolarHBondContact O-CA 3.49Å; K219-E221 PolarHBondContact O-N 2.87Å; K219-S222 WeakPolarHBondContact O-CB 3.47Å; K219-S222 PolarHBondContact O-N 2.86Å; K219-L223 PolarHBondContact O-N 2.79Å; K219-L305 WeakPolarHBondContact CE-O 3.34Å; K219-L305 PolarHBondContact NZ-O 3.25Å; K219-Y307 WeakPolarHBondContact CB-OH 3.41Å; K219-Y307 HydrophobicContact CD-CE1 4.32Å; K219-Y307 WeakPolarHBondContact CG-OH 3.36Å
220Y98.8Very high98.4Very high17 Ų1742.5 Ų42.57%0.06722%0.218CC..Hα-helixtrans-54-43.8174.6168.5-101.1000111.6L67 V165 R166 L223 V224L67-Y220 HydrophobicContact CD2-CE2 4.06Å; V165-Y220 PolarHBondContact O-N 2.78Å; R166-Y220 HydrophobicContact CG-CD1 3.89Å; R166-Y220 HydrophobicContact CG-CG 4.13Å; Y220-L223 PolarHBondContact O-N 3.49Å; Y220-V224 HydrophobicContact CD2-CG1 3.98Å; Y220-V224 HydrophobicContact CE1-CG1 4.27Å; Y220-V224 HydrophobicContact CE1-CG2 4.16Å; Y220-V224 HydrophobicContact CE2-CG1 3.43Å; Y220-V224 VanDerWaalsContact CE2-CG1 3.43Å; Y220-V224 WeakPolarHBondContact O-CG2 3.48Å; Y220-V224 PolarHBondContact O-N 3.17Å
221E98.6Very high98.4Very high2 Ų241.1 Ų41.11%0.00921%0.21CC..Hα-helixtrans-60.5-47-179.2-6378.4-168.800110.8R166 D167 K219 V224 L225 L277 Y307 Y316R166-E221 WeakPolarHBondContact CG-OE1 3.27Å; D167-E221 WeakPolarHBondContact CB-OE1 3.39Å; D167-E221 PolarHBondContact N-OE1 3.01Å; K219-E221 PolarHBondContact O-N 2.87Å; E221-V224 WeakPolarHBondContact O-CG2 3.41Å; E221-V224 PolarHBondContact O-N 3.31Å; E221-L225 VanDerWaalsContact O-CB 3.26Å; E221-L225 WeakPolarHBondContact O-CB 3.24Å; E221-L225 WeakPolarHBondContact O-CD1 3.3Å; E221-L225 WeakPolarHBondContact O-CG 3.37Å; E221-L225 PolarHBondContact O-N 2.68Å; E221-L277 HydrophobicContact CB-CD1 3.8Å; E221-L277 HydrophobicContact CG-CD1 3.61Å; E221-Y307 HydrophobicContact CG-CE1 4.38Å; E221-Y307 PolarHBondContact OE2-OH 3.47Å; E221-Y316 HydrophobicContact CB-CD1 4.07Å; E221-Y316 HydrophobicContact CB-CD2 4.37Å; E221-Y316 HydrophobicContact CB-CG 3.9Å; E221-Y316 HydrophobicContact CG-CD1 3.69Å; E221-Y316 HydrophobicContact CG-CD2 3.85Å; E221-Y316 HydrophobicContact CG-CE1 3.82Å; E221-Y316 HydrophobicContact CG-CE2 3.92Å; E221-Y316 HydrophobicContact CG-CG 3.7Å
222S98.3Very high98.4Very high27 Ų2744.1 Ų44.119%0.18922%0.219CC..Hα-helixtrans-59.9-46.7174.7-63.60000112.2K219 V224 L225 R226 F230K219-S222 WeakPolarHBondContact O-CB 3.47Å; K219-S222 PolarHBondContact O-N 2.86Å; S222-V224 PolarHBondContact O-N 2.6Å; S222-L225 PolarHBondContact O-N 3.38Å; S222-R226 PolarHBondContact O-N 2.93Å; S222-F230 VanDerWaalsContact CB-CE2 3.49Å; S222-F230 VanDerWaalsContact CB-CZ 3.5Å; S222-F230 VanDerWaalsContact O-CD2 3.3Å; S222-F230 WeakPolarHBondContact O-CD2 3.46Å
223L98.5Very high98.4Very high0 Ų043.3 Ų43.30%021%0.205CC..Hα-helixtrans-60.5-42.5178.217766.7000112.6L67 M68 L71 M164 I218 K219 Y220 P227 F230 L231L67-L223 HydrophobicContact CD2-CD2 4.34Å; M68-L223 HydrophobicContact CE-CD1 4.15Å; M68-L223 HydrophobicContact CE-CD2 3.74Å; L71-L223 HydrophobicContact CD1-CD1 4.3Å; L71-L223 HydrophobicContact CD1-CD2 4.18Å; M164-L223 HydrophobicContact CE-CD2 3.91Å; I218-L223 HydrophobicContact CG2-CB 4.15Å; K219-L223 PolarHBondContact O-N 2.79Å; Y220-L223 PolarHBondContact O-N 3.49Å; L223-P227 WeakPolarHBondContact O-CA 3.29Å; L223-P227 VanDerWaalsContact O-CB 3.3Å; L223-P227 WeakPolarHBondContact O-CB 3.44Å; L223-F230 HydrophobicContact CD1-CB 4.4Å; L223-L231 HydrophobicContact CD1-CD2 3.84Å; L223-L231 HydrophobicContact CD1-CG 3.97Å
224V98.4Very high98.5Very high1 Ų135 Ų351%0.00617%0.169CC..Hα-helixtrans-82.6-24.6-178.3-57.80000113.2L67 Y220 E221 S222 I272 L274 L277 V323L67-V224 HydrophobicContact CD2-CG1 3.89Å; Y220-V224 HydrophobicContact CD2-CG1 3.98Å; Y220-V224 HydrophobicContact CE1-CG1 4.27Å; Y220-V224 HydrophobicContact CE1-CG2 4.16Å; Y220-V224 HydrophobicContact CE2-CG1 3.43Å; Y220-V224 VanDerWaalsContact CE2-CG1 3.43Å; Y220-V224 WeakPolarHBondContact O-CG2 3.48Å; Y220-V224 PolarHBondContact O-N 3.17Å; E221-V224 WeakPolarHBondContact O-CG2 3.41Å; E221-V224 PolarHBondContact O-N 3.31Å; S222-V224 PolarHBondContact O-N 2.6Å; V224-I272 HydrophobicContact CB-CG2 4.01Å; V224-I272 HydrophobicContact CG1-CG2 4.15Å; V224-L274 HydrophobicContact CG2-CD2 4.46Å; V224-L277 HydrophobicContact CG2-CD1 3.86Å; V224-V323 WeakPolarHBondContact O-CG1 3.39Å
225L98.6Very high98.5Very high6 Ų632.4 Ų32.43%0.03116%0.159CC..Hα-helixtrans-75.1-46.2173.5-73.2169.8000111E221 S222 P227 L274 L277 Y316 G317 P319 E320E221-L225 VanDerWaalsContact O-CB 3.26Å; E221-L225 WeakPolarHBondContact O-CB 3.24Å; E221-L225 WeakPolarHBondContact O-CD1 3.3Å; E221-L225 WeakPolarHBondContact O-CG 3.37Å; E221-L225 PolarHBondContact O-N 2.68Å; S222-L225 PolarHBondContact O-N 3.38Å; L225-P227 VanDerWaalsContact C-CD 3.45Å; L225-P227 WeakPolarHBondContact O-CD 3.5Å; L225-L274 HydrophobicContact CD2-CD2 3.91Å; L225-L277 HydrophobicContact CD2-CD2 3.79Å; L225-L277 HydrophobicContact CG-CD2 4.23Å; L225-Y316 WeakPolarHBondContact CD1-O 3.25Å; L225-G317 WeakPolarHBondContact CD2-O 3.49Å; L225-P319 HydrophobicContact CD2-CB 3.72Å; L225-P319 HydrophobicContact CD2-CG 4.24Å; L225-P319 CarbonylContact O-C 3.48Å; L225-P319 VanDerWaalsContact O-CA 3.29Å; L225-P319 WeakPolarHBondContact O-CA 3.39Å; L225-E320 PolarHBondContact O-N 3.47Å
226R98.5Very high98.4Very high113 Ų11339.4 Ų39.443%0.42619%0.191SC..SBendtrans-129.159.9-172-58.9-179.769.4139.8-1.2111.9S222 S228 E229 F230 E320S222-R226 PolarHBondContact O-N 2.93Å; R226-S228 VanDerWaalsContact C-N 3.29Å; R226-S228 PolarHBondContact O-N 3.35Å; R226-E229 HydrophobicContact CB-CB 4.31Å; R226-E229 IonicContact CZ-OE2 3.6Å; R226-E229 IonicContact NE-OE1 2.93Å; R226-E229 IonicContact NE-OE2 3.34Å; R226-E229 PolarHBondContact NE-OE2 3.41Å; R226-E229 IonicContact NH2-OE2 2.81Å; R226-E229 PolarHBondContact NH2-OE2 3.09Å; R226-E229 PolarHBondContact O-N 2.88Å; R226-F230 HydrophobicContact CB-CD2 3.95Å; R226-F230 HydrophobicContact CB-CE2 4.09Å; R226-F230 WeakPolarHBondContact O-CD2 3.42Å; R226-F230 PolarHBondContact O-N 2.92Å; R226-F230 VanDerWaalsContact O-N 3.12Å; R226-E320 VanDerWaalsContact CA-OE1 3.24Å; R226-E320 WeakPolarHBondContact CA-OE1 3.32Å; R226-E320 HydrophobicContact CB-CG 4.44Å; R226-E320 HydrophobicContact CG-CG 4.47Å
227P98.3Very high98.4Very high4 Ų439 Ų393%0.02619%0.186CC..Hα-helixtrans-62.8-33.4-172.526.2-36.1000113.3L223 L225 L231 L247 I272 E320 V323L223-P227 WeakPolarHBondContact O-CA 3.29Å; L223-P227 VanDerWaalsContact O-CB 3.3Å; L223-P227 WeakPolarHBondContact O-CB 3.44Å; L225-P227 VanDerWaalsContact C-CD 3.45Å; L225-P227 WeakPolarHBondContact O-CD 3.5Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 WeakPolarHBondContact O-CD1 3.26Å; P227-L231 WeakPolarHBondContact O-CG 3.14Å; P227-L231 PolarHBondContact O-N 2.98Å; P227-L247 HydrophobicContact CB-CD2 3.76Å; P227-L247 HydrophobicContact CG-CD2 4.22Å; P227-I272 HydrophobicContact CB-CD1 3.5Å; P227-I272 VanDerWaalsContact CB-CD1 3.5Å; P227-I272 HydrophobicContact CB-CG2 4.39Å; P227-I272 HydrophobicContact CG-CD1 4.16Å; P227-I272 HydrophobicContact CG-CG2 4.34Å; P227-E320 WeakPolarHBondContact CD-OE2 3.11Å; P227-V323 HydrophobicContact CG-CG2 3.59Å
228S97.9Very high98.4Very high39 Ų3936.5 Ų36.527%0.27317%0.171SC..Hα-helixtrans-61.9-53177.7-1740000109.8R226 H232 E320R226-S228 VanDerWaalsContact C-N 3.29Å; R226-S228 PolarHBondContact O-N 3.35Å; S228-H232 PolarHBondContact O-N 2.94Å; S228-H232 PolarHBondContact O-ND1 2.78Å; S228-E320 VanDerWaalsContact CB-OE1 3.27Å; S228-E320 WeakPolarHBondContact CB-OE1 3.47Å; S228-E320 PolarHBondContact N-OE1 3.15Å; S228-E320 PolarHBondContact N-OE2 2.8Å
229E97.5Very high98.4Very high67 Ų6743 Ų4331%0.31320%0.201SC..Hα-helixtrans-59.7-56.1-179.4178175.9152.300113R226 L231 H232 E233R226-E229 HydrophobicContact CB-CB 4.31Å; R226-E229 IonicContact CZ-OE2 3.6Å; R226-E229 IonicContact NE-OE1 2.93Å; R226-E229 IonicContact NE-OE2 3.34Å; R226-E229 PolarHBondContact NE-OE2 3.41Å; R226-E229 IonicContact NH2-OE2 2.81Å; R226-E229 PolarHBondContact NH2-OE2 3.09Å; R226-E229 PolarHBondContact O-N 2.88Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.44Å; E229-H232 PolarHBondContact O-N 3.26Å; E229-H232 VanDerWaalsContact O-N 3.12Å; E229-E233 PolarHBondContact O-N 3.32Å
230F98.3Very high98.3Very high43 Ų4340.1 Ų40.119%0.18919%0.189CC..Hα-helixtrans-68.8-27.9-173.8-78.8-78.7000113.2S222 L223 R226 L234S222-F230 VanDerWaalsContact CB-CE2 3.49Å; S222-F230 VanDerWaalsContact CB-CZ 3.5Å; S222-F230 VanDerWaalsContact O-CD2 3.3Å; S222-F230 WeakPolarHBondContact O-CD2 3.46Å; L223-F230 HydrophobicContact CD1-CB 4.4Å; R226-F230 HydrophobicContact CB-CD2 3.95Å; R226-F230 HydrophobicContact CB-CE2 4.09Å; R226-F230 WeakPolarHBondContact O-CD2 3.42Å; R226-F230 PolarHBondContact O-N 2.92Å; R226-F230 VanDerWaalsContact O-N 3.12Å; F230-L234 VanDerWaalsContact O-CB 3.32Å; F230-L234 WeakPolarHBondContact O-CB 3.3Å; F230-L234 PolarHBondContact O-N 3.38Å
231L98.5Very high98.2Very high0 Ų043.4 Ų43.40%021%0.212CC..Hα-helixtrans-74.4-39.6172.4-66.2173.7000110.9L71 L223 P227 E229 E233 L234 F235 W242 V246 L247L71-L231 HydrophobicContact CD1-CD1 4.29Å; L71-L231 HydrophobicContact CD1-CD2 4.21Å; L223-L231 HydrophobicContact CD1-CD2 3.84Å; L223-L231 HydrophobicContact CD1-CG 3.97Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 WeakPolarHBondContact O-CD1 3.26Å; P227-L231 WeakPolarHBondContact O-CG 3.14Å; P227-L231 PolarHBondContact O-N 2.98Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 3.44Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 2.84Å; L231-L234 HydrophobicContact CD2-CD2 4.2Å; L231-L234 PolarHBondContact O-N 3.38Å; L231-L234 VanDerWaalsContact O-N 3.14Å; L231-F235 VanDerWaalsContact O-CD2 3.23Å; L231-F235 WeakPolarHBondContact O-CD2 3.23Å; L231-F235 PolarHBondContact O-N 3.1Å; L231-W242 HydrophobicContact CB-CH2 4.03Å; L231-W242 HydrophobicContact CB-CZ3 3.65Å; L231-V246 HydrophobicContact CD1-CB 4.46Å; L231-V246 HydrophobicContact CD1-CG2 3.89Å; L231-L247 HydrophobicContact CD1-CD2 3.77Å
232H98.6Very high98.2Very high80 Ų8047.1 Ų47.137%0.3723%0.226SC..Hα-helixtrans-58.5-45.7173.8-77.981000111.6S228 E229 L234 F235 E236 W242S228-H232 PolarHBondContact O-N 2.94Å; S228-H232 PolarHBondContact O-ND1 2.78Å; E229-H232 PolarHBondContact O-N 3.26Å; E229-H232 VanDerWaalsContact O-N 3.12Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 2.99Å; H232-F235 PolarHBondContact O-N 3.24Å; H232-E236 PolarHBondContact O-N 3.01Å; H232-W242 AromaticContact CD2-CD2 3.82Å; H232-W242 AromaticContact CD2-CE3 3.96Å; H232-W242 AromaticContact CE1-CD2 3.65Å; H232-W242 AromaticContact CE1-CE2 3.3Å; H232-W242 AromaticContact CE1-CE3 3.92Å; H232-W242 AromaticContact CE1-CH2 3.56Å; H232-W242 AromaticContact CE1-CZ2 3.27Å; H232-W242 WeakPolarHBondContact CE1-CZ2 3.49Å; H232-W242 AromaticContact CE1-CZ3 3.86Å; H232-W242 AromaticContact CE1-NE1 3.85Å; H232-W242 AromaticContact CG-CE3 3.94Å; H232-W242 AromaticContact ND1-CE3 3.9Å; H232-W242 AromaticContact ND1-CH2 3.61Å; H232-W242 AromaticContact ND1-CZ2 3.84Å; H232-W242 AromaticContact ND1-CZ3 3.64Å; H232-W242 AromaticContact NE2-CD1 3.83Å; H232-W242 AromaticContact NE2-CD2 3.46Å; H232-W242 AromaticContact NE2-CE2 3.42Å; H232-W242 AromaticContact NE2-CE3 3.97Å; H232-W242 AromaticContact NE2-CG 3.75Å; H232-W242 AromaticContact NE2-CZ2 3.9Å; H232-W242 AromaticContact NE2-NE1 3.62Å
233E98.3Very high98.2Very high97 Ų9748 Ų4845%0.45323%0.229SC..Hα-helixtrans-59.8-40.7174.7-69.2-178.9-176.900112.3E229 L231 E236 F237E229-E233 PolarHBondContact O-N 3.32Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 2.84Å; E233-E236 PolarHBondContact O-N 3.28Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.44Å
234L98.6Very high98.1Very high2 Ų251.5 Ų51.51%0.0125%0.251CS..Hα-helixtrans-65.4-44.1177.4175.961.9000111.8M68 L72 V162 T216 I218 F230 L231 H232 E236 F237 L238M68-L234 HydrophobicContact CE-CD2 3.62Å; M68-L234 HydrophobicContact SD-CD2 3.33Å; M68-L234 WeakPolarHBondContact SD-CD2 3.48Å; L72-L234 HydrophobicContact CD2-CD2 3.92Å; V162-L234 HydrophobicContact CG1-CD1 4.29Å; V162-L234 HydrophobicContact CG2-CD1 3.7Å; T216-L234 HydrophobicContact CG2-CD1 4.21Å; I218-L234 HydrophobicContact CD1-CB 4.18Å; I218-L234 HydrophobicContact CD1-CD1 3.94Å; I218-L234 HydrophobicContact CD1-CD2 4.15Å; I218-L234 HydrophobicContact CD1-CG 4.32Å; F230-L234 VanDerWaalsContact O-CB 3.32Å; F230-L234 WeakPolarHBondContact O-CB 3.3Å; F230-L234 PolarHBondContact O-N 3.38Å; L231-L234 HydrophobicContact CD2-CD2 4.2Å; L231-L234 PolarHBondContact O-N 3.38Å; L231-L234 VanDerWaalsContact O-N 3.14Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 2.99Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-F237 HydrophobicContact CD1-CD1 4.04Å; L234-F237 PolarHBondContact O-N 3.47Å; L234-L238 HydrophobicContact CD1-CD1 3.98Å; L234-L238 HydrophobicContact CD1-CD2 4.46Å; L234-L238 HydrophobicContact CD1-CG 3.93Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CB 3.44Å; L234-L238 VanDerWaalsContact O-CG 3.24Å; L234-L238 WeakPolarHBondContact O-CG 3.14Å; L234-L238 PolarHBondContact O-N 3.38Å
235F98.5Very high98.1Very high3 Ų353.5 Ų53.51%0.01326%0.262CS..Hα-helixtrans-66.6-35.1179.1-86.9-87.7000111.8L72 H75 I78 L231 H232 L238 E239 I240 P241 W242 V246L72-F235 HydrophobicContact CD2-CE2 3.97Å; L72-F235 HydrophobicContact CD2-CZ 3.85Å; H75-F235 HydrophobicContact CB-CE1 4.31Å; H75-F235 HydrophobicContact CB-CZ 4.13Å; H75-F235 AromaticContact CD2-CE1 3.23Å; H75-F235 WeakPolarHBondContact CD2-CE1 3.31Å; H75-F235 AromaticContact CD2-CZ 3.56Å; H75-F235 AromaticContact CG-CE1 3.65Å; H75-F235 AromaticContact CG-CZ 3.91Å; H75-F235 AromaticContact NE2-CE1 3.58Å; I78-F235 HydrophobicContact CD1-CE1 3.93Å; I78-F235 HydrophobicContact CD1-CZ 4.16Å; L231-F235 VanDerWaalsContact O-CD2 3.23Å; L231-F235 WeakPolarHBondContact O-CD2 3.23Å; L231-F235 PolarHBondContact O-N 3.1Å; H232-F235 PolarHBondContact O-N 3.24Å; F235-L238 PolarHBondContact O-N 3.29Å; F235-E239 PolarHBondContact O-N 3.06Å; F235-I240 HydrophobicContact CD1-CB 3.85Å; F235-I240 HydrophobicContact CD1-CG2 3.83Å; F235-I240 HydrophobicContact CE1-CB 4.3Å; F235-I240 HydrophobicContact CE1-CG2 3.89Å; F235-I240 PolarHBondContact O-N 3.37Å; F235-P241 WeakPolarHBondContact CD1-O 3.43Å; F235-W242 HydrophobicContact CD2-CE3 4.01Å; F235-W242 HydrophobicContact CD2-CZ3 4.07Å; F235-W242 HydrophobicContact CG-CE3 4.32Å; F235-V246 HydrophobicContact CE2-CB 4.37Å; F235-V246 HydrophobicContact CE2-CG1 3.88Å; F235-V246 HydrophobicContact CE2-CG2 4.18Å; F235-V246 HydrophobicContact CZ-CG1 3.68Å
236E98.5Very high98Very high154 Ų15453.2 Ų53.272%0.7226%0.26SS*.Hα-helixtrans-61.6-49.4168.9-175.2179.8178.800111.6H232 E233 L234 L238 E239H232-E236 PolarHBondContact O-N 3.01Å; E233-E236 PolarHBondContact O-N 3.28Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 2.86Å; E236-E239 PolarHBondContact O-N 3.03Å
237F98.5Very high98Very high31 Ų3149.3 Ų49.314%0.13625%0.248CC..Hα-helixtrans-59.6-39.2176.9162.4-97.5000113.3K160 V162 P212 T216 E233 L234 E239K160-F237 HydrophobicContact CB-CE1 4.02Å; K160-F237 HydrophobicContact CB-CZ 4.15Å; K160-F237 HydrophobicContact CD-CE1 4.37Å; K160-F237 HydrophobicContact CD-CE2 4.33Å; K160-F237 HydrophobicContact CD-CZ 4.02Å; K160-F237 PolarHBondContact NZ-O 2.95Å; V162-F237 HydrophobicContact CG2-CE1 4.43Å; P212-F237 WeakPolarHBondContact O-CE2 3.41Å; T216-F237 HydrophobicContact CG2-CD1 3.62Å; T216-F237 HydrophobicContact CG2-CD2 4.41Å; T216-F237 HydrophobicContact CG2-CE1 3.54Å; T216-F237 HydrophobicContact CG2-CE2 4.34Å; T216-F237 HydrophobicContact CG2-CG 4.06Å; T216-F237 HydrophobicContact CG2-CZ 3.92Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.44Å; L234-F237 HydrophobicContact CD1-CD1 4.04Å; L234-F237 PolarHBondContact O-N 3.47Å; F237-E239 PolarHBondContact O-N 3.26Å
238L98.2Very high97.9Very high0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-75.7-12.9177.5-68.3-179.4000112.8Q53 V55 L72 K160 V162 L234 F235 E236 I240Q53-L238 PolarHBondContact NE2-O 2.77Å; V55-L238 HydrophobicContact CG1-CD2 3.95Å; V55-L238 HydrophobicContact CG2-CD2 3.77Å; L72-L238 HydrophobicContact CD1-CD1 4.12Å; L72-L238 HydrophobicContact CD2-CD1 4.15Å; K160-L238 HydrophobicContact CB-CD2 3.92Å; K160-L238 HydrophobicContact CG-CD2 4.39Å; V162-L238 HydrophobicContact CG2-CD2 4.4Å; L234-L238 HydrophobicContact CD1-CD1 3.98Å; L234-L238 HydrophobicContact CD1-CD2 4.46Å; L234-L238 HydrophobicContact CD1-CG 3.93Å; L234-L238 HydrophobicContact CG-CD1 3.97Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CB 3.44Å; L234-L238 VanDerWaalsContact O-CG 3.24Å; L234-L238 WeakPolarHBondContact O-CG 3.14Å; L234-L238 PolarHBondContact O-N 3.38Å; F235-L238 PolarHBondContact O-N 3.29Å; E236-L238 VanDerWaalsContact C-N 3.3Å; E236-L238 PolarHBondContact O-N 2.86Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CB 4.47Å; L238-I240 HydrophobicContact CB-CD1 3.75Å; L238-I240 HydrophobicContact CB-CG1 3.98Å; L238-I240 HydrophobicContact CD1-CD1 4.14Å
239E97.6Very high97.8Very high147 Ų14751.2 Ų51.269%0.68725%0.252SS*.THydrogen-bonded Turntrans60.439.9-176-58.1166-135.600112K160 F235 E236 F237K160-E239 IonicContact NZ-OE1 3.71Å; K160-E239 PolarHBondContact NZ-OE1 2.85Å; F235-E239 PolarHBondContact O-N 3.06Å; E236-E239 PolarHBondContact O-N 3.03Å; F237-E239 PolarHBondContact O-N 3.26Å
240I96.9Very high97.6Very high10 Ų1050.3 Ų50.35%0.05125%0.247CC..  trans-117.9136.7-179.2-59.9169.4000108.7H75 M77 I78 V137 F235 L238H75-I240 VanDerWaalsContact CE1-CG2 3.44Å; H75-I240 WeakPolarHBondContact CE1-CG2 3.4Å; M77-I240 HydrophobicContact CB-CG2 4.44Å; M77-I240 HydrophobicContact SD-CG2 4.2Å; I78-I240 HydrophobicContact CD1-CD1 3.62Å; I78-I240 HydrophobicContact CG1-CD1 3.84Å; V137-I240 HydrophobicContact CB-CD1 4.27Å; V137-I240 HydrophobicContact CG1-CD1 4.1Å; V137-I240 HydrophobicContact CG2-CD1 3.72Å; V137-I240 HydrophobicContact CG2-CG1 4.14Å; F235-I240 HydrophobicContact CD1-CB 3.85Å; F235-I240 HydrophobicContact CD1-CG2 3.83Å; F235-I240 HydrophobicContact CE1-CB 4.3Å; F235-I240 HydrophobicContact CE1-CG2 3.89Å; F235-I240 PolarHBondContact O-N 3.37Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CB 4.47Å; L238-I240 HydrophobicContact CB-CD1 3.75Å; L238-I240 HydrophobicContact CB-CG1 3.98Å; L238-I240 HydrophobicContact CD1-CD1 4.14Å
241P97.8Very high97.4Very high85 Ų8552.8 Ų52.855%0.55227%0.266SS*.  trans-54.2145.4174.8-25.534.6000112.6H75 M77 F235H75-P241 PolarHBondContact NE2-O 3.36Å; M77-P241 HydrophobicContact SD-CG 4.21Å; F235-P241 WeakPolarHBondContact CD1-O 3.43Å
242W98.1Very high97Very high81 Ų8156.4 Ų56.431%0.30729%0.288SS..  trans-68.2137.3173.3173.5-105.2000111.4L231 H232 F235 V246 L247L231-W242 HydrophobicContact CB-CH2 4.03Å; L231-W242 HydrophobicContact CB-CZ3 3.65Å; H232-W242 AromaticContact CD2-CD2 3.82Å; H232-W242 AromaticContact CD2-CE3 3.96Å; H232-W242 AromaticContact CE1-CD2 3.65Å; H232-W242 AromaticContact CE1-CE2 3.3Å; H232-W242 AromaticContact CE1-CE3 3.92Å; H232-W242 AromaticContact CE1-CH2 3.56Å; H232-W242 AromaticContact CE1-CZ2 3.27Å; H232-W242 WeakPolarHBondContact CE1-CZ2 3.49Å; H232-W242 AromaticContact CE1-CZ3 3.86Å; H232-W242 AromaticContact CE1-NE1 3.85Å; H232-W242 AromaticContact CG-CE3 3.94Å; H232-W242 AromaticContact ND1-CE3 3.9Å; H232-W242 AromaticContact ND1-CH2 3.61Å; H232-W242 AromaticContact ND1-CZ2 3.84Å; H232-W242 AromaticContact ND1-CZ3 3.64Å; H232-W242 AromaticContact NE2-CD1 3.83Å; H232-W242 AromaticContact NE2-CD2 3.46Å; H232-W242 AromaticContact NE2-CE2 3.42Å; H232-W242 AromaticContact NE2-CE3 3.97Å; H232-W242 AromaticContact NE2-CG 3.75Å; H232-W242 AromaticContact NE2-CZ2 3.9Å; H232-W242 AromaticContact NE2-NE1 3.62Å; F235-W242 HydrophobicContact CD2-CE3 4.01Å; F235-W242 HydrophobicContact CD2-CZ3 4.07Å; F235-W242 HydrophobicContact CG-CE3 4.32Å; W242-V246 HydrophobicContact CE3-CG2 4.45Å; W242-V246 HydrophobicContact CH2-CG2 3.5Å; W242-V246 HydrophobicContact CZ2-CG2 4.19Å; W242-V246 HydrophobicContact CZ3-CG2 3.66Å; W242-L247 HydrophobicContact CH2-CD1 4.06Å; W242-L247 HydrophobicContact CH2-CG 4.01Å; W242-L247 HydrophobicContact CZ2-CD1 3.85Å; W242-L247 HydrophobicContact CZ2-CG 4.18Å
243D98.1Very high96.4Very high45 Ų4554 Ų5424%0.24128%0.278CS..  trans-130.9122.8166.1-168.5-44000109.2H75 P76 I245 V246H75-D243 VanDerWaalsContact CD2-CB 3.47Å; H75-D243 WeakPolarHBondContact CD2-CB 3.33Å; H75-D243 WeakPolarHBondContact NE2-CB 3.29Å; P76-D243 WeakPolarHBondContact CD-OD2 3.28Å; P76-D243 WeakPolarHBondContact CG-OD2 3.45Å; D243-I245 HydrophobicContact CB-CG2 4.1Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 VanDerWaalsContact OD1-CB 3.25Å; D243-I245 WeakPolarHBondContact OD1-CB 3.39Å; D243-I245 WeakPolarHBondContact OD1-CG2 3.17Å; D243-I245 PolarHBondContact OD1-N 3.42Å; D243-V246 VanDerWaalsContact O-CG2 3.31Å; D243-V246 WeakPolarHBondContact O-CG2 3.12Å; D243-V246 PolarHBondContact O-N 3.23Å
244P97.3Very high95.4Very high73 Ų7351.9 Ų51.947%0.47427%0.274SS..G310 helixtrans-61.5-15.8-17926.4-35.8000114.1V246 L247 H248P244-V246 PolarHBondContact O-N 3.48Å; P244-V246 VanDerWaalsContact O-N 3.09Å; P244-L247 PolarHBondContact O-N 3.23Å; P244-L247 VanDerWaalsContact O-N 3.12Å; P244-H248 PolarHBondContact O-CD2 2.79Å
245I97.4Very high94.1Very high44 Ų4457.9 Ų57.923%0.22631%0.306CS..G310 helixtrans-57.1-26.8179.1-161.256.3000113.1V74 D243 L247 H248 H249 V252V74-I245 WeakPolarHBondContact O-CG2 3.49Å; D243-I245 HydrophobicContact CB-CG2 4.1Å; D243-I245 PolarHBondContact O-N 3.35Å; D243-I245 VanDerWaalsContact OD1-CB 3.25Å; D243-I245 WeakPolarHBondContact OD1-CB 3.39Å; D243-I245 WeakPolarHBondContact OD1-CG2 3.17Å; D243-I245 PolarHBondContact OD1-N 3.42Å; I245-L247 PolarHBondContact O-N 3.26Å; I245-H248 CarbonylContact O-C 3.57Å; I245-H248 VanDerWaalsContact O-C 3.25Å; I245-H248 WeakPolarHBondContact O-CA 3.48Å; I245-H248 PolarHBondContact O-N 2.97Å; I245-H249 PolarHBondContact O-N 2.99Å; I245-V252 HydrophobicContact CD1-CG2 3.5Å; I245-V252 VanDerWaalsContact CD1-CG2 3.5Å; I245-V252 HydrophobicContact CG1-CG2 3.69Å
246V97.3Very high92.7Very high0 Ų064.1 Ų64.10%034%0.344CS..G310 helixtrans-62.8-30-179.7-55.40000112.4L71 V74 H75 L231 F235 W242 D243 P244 H248L71-V246 WeakPolarHBondContact CD2-O 3.36Å; L71-V246 WeakPolarHBondContact O-CG1 3.37Å; V74-V246 HydrophobicContact CG2-CG1 4.45Å; H75-V246 HydrophobicContact CB-CG1 4.04Å; L231-V246 HydrophobicContact CD1-CB 4.46Å; L231-V246 HydrophobicContact CD1-CG2 3.89Å; F235-V246 HydrophobicContact CE2-CB 4.37Å; F235-V246 HydrophobicContact CE2-CG1 3.88Å; F235-V246 HydrophobicContact CE2-CG2 4.18Å; F235-V246 HydrophobicContact CZ-CG1 3.68Å; W242-V246 HydrophobicContact CE3-CG2 4.45Å; W242-V246 HydrophobicContact CH2-CG2 3.5Å; W242-V246 HydrophobicContact CZ2-CG2 4.19Å; W242-V246 HydrophobicContact CZ3-CG2 3.66Å; D243-V246 VanDerWaalsContact O-CG2 3.31Å; D243-V246 WeakPolarHBondContact O-CG2 3.12Å; D243-V246 PolarHBondContact O-N 3.23Å; P244-V246 PolarHBondContact O-N 3.48Å; P244-V246 VanDerWaalsContact O-N 3.09Å; V246-H248 PolarHBondContact O-N 3.33Å
247L97.6Very high91.8Very high30 Ų3058.2 Ų58.216%0.15732%0.32CS..G310 helixtrans-76.2-13.6174.1-66173.9000112.7P227 L231 W242 P244 I245P227-L247 HydrophobicContact CB-CD2 3.76Å; P227-L247 HydrophobicContact CG-CD2 4.22Å; L231-L247 HydrophobicContact CD1-CD2 3.77Å; W242-L247 HydrophobicContact CH2-CD1 4.06Å; W242-L247 HydrophobicContact CH2-CG 4.01Å; W242-L247 HydrophobicContact CZ2-CD1 3.85Å; W242-L247 HydrophobicContact CZ2-CG 4.18Å; P244-L247 PolarHBondContact O-N 3.23Å; P244-L247 VanDerWaalsContact O-N 3.12Å; I245-L247 PolarHBondContact O-N 3.26Å
248H96.4Very high91.2Very high84 Ų8457.6 Ų57.639%0.38932%0.318SS..G310 helixtrans-12128.5-175.7-56.6-63000112.4P244 I245 V246 Q250 T251P244-H248 PolarHBondContact O-CD2 2.79Å; I245-H248 CarbonylContact O-C 3.57Å; I245-H248 VanDerWaalsContact O-C 3.25Å; I245-H248 WeakPolarHBondContact O-CA 3.48Å; I245-H248 PolarHBondContact O-N 2.97Å; V246-H248 PolarHBondContact O-N 3.33Å; H248-Q250 PolarHBondContact O-N 3.17Å; H248-T251 HydrophobicContact CB-CG2 4.26Å; H248-T251 WeakPolarHBondContact O-CB 3.31Å; H248-T251 PolarHBondContact O-N 3.18Å; H248-T251 PolarHBondContact O-OG1 2.9Å
249H95.6Very high90.7Very high0 Ų059.9 Ų59.90%033%0.33CS..G310 helixtrans-44.5-41.2-178.466.3-71.1000114.5V70 L71 V74 I245 T251 V252 I253 V268 H270V70-H249 HydrophobicContact CG1-CB 4.17Å; L71-H249 HydrophobicContact CD2-CB 4.07Å; L71-H249 WeakPolarHBondContact CD2-ND1 2.99Å; V74-H249 HydrophobicContact CG1-CB 3.96Å; V74-H249 HydrophobicContact CG2-CB 3.86Å; I245-H249 PolarHBondContact O-N 2.99Å; H249-T251 PolarHBondContact O-N 3.15Å; H249-V252 PolarHBondContact O-N 3.35Å; H249-I253 HydrophobicContact CB-CD1 3.9Å; H249-I253 VanDerWaalsContact CD2-CD1 3.4Å; H249-I253 WeakPolarHBondContact CD2-CD1 3.2Å; H249-I253 VanDerWaalsContact O-CD1 3.27Å; H249-I253 WeakPolarHBondContact O-CD1 3.34Å; H249-I253 WeakPolarHBondContact O-CG1 3.5Å; H249-I253 PolarHBondContact O-N 3.18Å; H249-V268 PolarHBondContact CD2-O 3.17Å; H249-V268 PolarHBondContact NE2-O 3.04Å; H249-H270 PolarHBondContact NE2-O 2.77Å
250Q93.4Very high90.3Very high47 Ų4761.1 Ų61.122%0.2233%0.333CS..G310 helixtrans-58-21.3178.674.1-77.3-1.500114.6H248 V252 V269 P271H248-Q250 PolarHBondContact O-N 3.17Å; Q250-V252 VanDerWaalsContact C-N 3.35Å; Q250-V269 WeakPolarHBondContact CB-O 3.33Å; Q250-P271 HydrophobicContact CG-CB 4.5Å; Q250-P271 HydrophobicContact CG-CG 3.84Å
251T93.5Very high90Very high96 Ų9667.9 Ų67.959%0.58937%0.369SS*.G310 helixtrans-82.9-15.1-179.9670000112.8H248 H249H248-T251 HydrophobicContact CB-CG2 4.26Å; H248-T251 WeakPolarHBondContact O-CB 3.31Å; H248-T251 PolarHBondContact O-N 3.18Å; H248-T251 PolarHBondContact O-OG1 2.9Å; H249-T251 PolarHBondContact O-N 3.15Å
252V90.1Very high89.7Confident75 Ų7564.2 Ų64.246%0.45534%0.344SS..THydrogen-bonded Turntrans-117.6-29.3-174.1-176.20000112.3V74 I245 H249 Q250 S254V74-V252 HydrophobicContact CG1-CB 4.26Å; I245-V252 HydrophobicContact CD1-CG2 3.5Å; I245-V252 VanDerWaalsContact CD1-CG2 3.5Å; I245-V252 HydrophobicContact CG1-CG2 3.69Å; H249-V252 PolarHBondContact O-N 3.35Å; Q250-V252 VanDerWaalsContact C-N 3.35Å; V252-S254 PolarHBondContact O-N 2.7Å; V252-S254 VanDerWaalsContact O-N 3.17Å
253I86.7Confident89.3Confident29 Ų2963.2 Ų63.215%0.14935%0.348CS..  trans-58.1124.5-179.2-69.6155.2000110.3V70 V74 H249 L258V70-I253 HydrophobicContact CG1-CD1 3.12Å; V70-I253 HydrophobicContact CG1-CG1 3.84Å; V74-I253 HydrophobicContact CG1-CG1 3.95Å; H249-I253 HydrophobicContact CB-CD1 3.9Å; H249-I253 VanDerWaalsContact CD2-CD1 3.4Å; H249-I253 WeakPolarHBondContact CD2-CD1 3.2Å; H249-I253 VanDerWaalsContact O-CD1 3.27Å; H249-I253 WeakPolarHBondContact O-CD1 3.34Å; H249-I253 WeakPolarHBondContact O-CG1 3.5Å; H249-I253 PolarHBondContact O-N 3.18Å; I253-L258 HydrophobicContact CG2-CD1 3.47Å; I253-L258 VanDerWaalsContact CG2-CD1 3.47Å; I253-L258 HydrophobicContact CG2-CD2 4.15Å; I253-L258 HydrophobicContact CG2-CG 3.66Å
254S76.6Confident89Confident53 Ų5361.9 Ų61.937%0.37134%0.342SS..  trans-101.5158.7171.668.50000110.2V252 T256 S257V252-S254 PolarHBondContact O-N 2.7Å; V252-S254 VanDerWaalsContact O-N 3.17Å; S254-T256 PolarHBondContact O-N 2.94Å; S254-T256 PolarHBondContact OG-N 3.37Å; S254-T256 PolarHBondContact OG-OG1 3.12Å; S254-S257 PolarHBondContact O-N 2.87Å; S254-S257 PolarHBondContact O-OG 2.93Å; S254-S257 VanDerWaalsContact O-OG 3.12Å
255D72Confident88.7Confident128 Ų12859.2 Ų59.268%0.68433%0.325SS*.THydrogen-bonded Turntrans-55.6-22.7172.3-84.1-14.6000112.9
256T69.1Low88.4Confident135 Ų13559.6 Ų59.683%0.82833%0.331SS*.THydrogen-bonded Turntrans-78.3-25.4179.365.10000114S254 L258S254-T256 PolarHBondContact O-N 2.94Å; S254-T256 PolarHBondContact OG-N 3.37Å; S254-T256 PolarHBondContact OG-OG1 3.12Å; T256-L258 VanDerWaalsContact C-N 3.3Å
257S78.8Confident88.2Confident29 Ų2960.8 Ų60.820%0.20334%0.337CS..THydrogen-bonded Turntrans-85.4-5178.970.80000113.2R69 S254R69-S257 PolarHBondContact NH1-O 2.99Å; R69-S257 PolarHBondContact NH2-O 3.15Å; S254-S257 PolarHBondContact O-N 2.87Å; S254-S257 PolarHBondContact O-OG 2.93Å; S254-S257 VanDerWaalsContact O-OG 3.12Å
258L86.5Confident88Confident18 Ų1859.7 Ų59.79%0.09433%0.332CS..SBendtrans-112.5140-178.5-65.4178.8000112V70 I253 T256 T265 V268 V269V70-L258 HydrophobicContact CG2-CD2 3.98Å; I253-L258 HydrophobicContact CG2-CD1 3.47Å; I253-L258 VanDerWaalsContact CG2-CD1 3.47Å; I253-L258 HydrophobicContact CG2-CD2 4.15Å; I253-L258 HydrophobicContact CG2-CG 3.66Å; T256-L258 VanDerWaalsContact C-N 3.3Å; L258-T265 HydrophobicContact CB-CG2 3.93Å; L258-T265 HydrophobicContact CD1-CG2 4.07Å; L258-T265 HydrophobicContact CG-CG2 4.49Å; L258-V268 HydrophobicContact CD2-CG2 4.11Å; L258-V269 HydrophobicContact CD1-CG1 3.44Å; L258-V269 VanDerWaalsContact CD1-CG1 3.44Å
259N88.2Confident87.9Confident49 Ų4958.1 Ų58.126%0.26233%0.328SS..  trans-98.7116.1173-176.5-7.9000110.1P82 L261 E262 T265P82-N259 HydrophobicContact CB-CB 3.51Å; P82-N259 HydrophobicContact CG-CB 4.1Å; N259-L261 PolarHBondContact O-N 3.16Å; N259-L261 VanDerWaalsContact O-N 3.07Å; N259-L261 VanDerWaalsContact OD1-CB 3.27Å; N259-L261 WeakPolarHBondContact OD1-CB 3.42Å; N259-L261 WeakPolarHBondContact OD1-CG 3.46Å; N259-L261 PolarHBondContact OD1-N 2.91Å; N259-E262 HydrophobicContact CB-CG 4.25Å; N259-E262 PolarHBondContact O-N 3.48Å; N259-T265 PolarHBondContact O-OG1 3.21Å
260K89Confident87.8Confident173 Ų17358.8 Ų58.875%0.75233%0.331SS*.THydrogen-bonded Turntrans-61.6-16.8179.1-64.3-177.3-178.5178.90113.6E262K260-E262 VanDerWaalsContact C-N 3.32Å
261L89.8Confident87.9Confident151 Ų15157.4 Ų57.479%0.79133%0.326SS*.THydrogen-bonded Turntrans-78.7-14175.3-58176.1000113.1N259 P263N259-L261 PolarHBondContact O-N 3.16Å; N259-L261 VanDerWaalsContact O-N 3.07Å; N259-L261 VanDerWaalsContact OD1-CB 3.27Å; N259-L261 WeakPolarHBondContact OD1-CB 3.42Å; N259-L261 WeakPolarHBondContact OD1-CG 3.46Å; N259-L261 PolarHBondContact OD1-N 2.91Å; L261-P263 WeakPolarHBondContact O-CD 3.38Å
262E91.7Very high88.1Confident9 Ų953.5 Ų53.54%0.04230%0.301CS..SBendtrans-78.7125.2173.8-67.9-169.8-168.100110.9T66 P82 E83 K141 N259 K260 S264 T265T66-E262 VanDerWaalsContact CG2-OE2 3.32Å; T66-E262 WeakPolarHBondContact CG2-OE2 3.48Å; T66-E262 PolarHBondContact OG1-OE2 3Å; P82-E262 WeakPolarHBondContact CA-OE1 3.39Å; E83-E262 PolarHBondContact N-OE1 3.18Å; K141-E262 IonicContact NZ-OE1 2.74Å; K141-E262 PolarHBondContact NZ-OE1 2.91Å; K141-E262 IonicContact NZ-OE2 2.94Å; K141-E262 PolarHBondContact NZ-OE2 2.84Å; N259-E262 HydrophobicContact CB-CG 4.25Å; N259-E262 PolarHBondContact O-N 3.48Å; K260-E262 VanDerWaalsContact C-N 3.32Å; E262-S264 PolarHBondContact O-N 2.79Å; E262-T265 WeakPolarHBondContact CB-OG1 3.38Å; E262-T265 WeakPolarHBondContact O-CB 3.39Å; E262-T265 PolarHBondContact O-N 3.04Å; E262-T265 PolarHBondContact O-OG1 3.27Å; E262-T265 VanDerWaalsContact O-OG1 3.08Å
263P89.3Confident88.5Confident59 Ų5950.5 Ų50.538%0.38328%0.282SS..THydrogen-bonded Turntrans-61.1-21.1-176.4-26.234.4000115.2R178 V180 L261R178-P263 PolarHBondContact NE-O 3.18Å; R178-P263 PolarHBondContact NH2-O 3.28Å; V180-P263 HydrophobicContact CG1-CG 4.16Å; V180-P263 HydrophobicContact CG2-CB 3.54Å; V180-P263 HydrophobicContact CG2-CG 3.84Å; L261-P263 WeakPolarHBondContact O-CD 3.38Å
264S92.2Very high88.9Confident17 Ų1750.8 Ų50.812%0.11928%0.284CS..THydrogen-bonded Turntrans-86.6-9.7-179.1-45.30000113.5R62 T66 E262 S266 Q267 V268R62-S264 PolarHBondContact NH1-OG 3.27Å; T66-S264 WeakPolarHBondContact OG1-CB 3.35Å; T66-S264 PolarHBondContact OG1-OG 3.26Å; E262-S264 PolarHBondContact O-N 2.79Å; S264-S266 VanDerWaalsContact C-N 3.31Å; S264-S266 PolarHBondContact O-N 3.34Å; S264-Q267 WeakPolarHBondContact O-CB 3.36Å; S264-Q267 PolarHBondContact O-N 3.17Å; S264-V268 PolarHBondContact O-N 2.92Å
265T91.5Very high89.8Confident18 Ų1849.8 Ų49.811%0.1128%0.279CS..Hα-helixtrans-56.7-42.4-169.4-670000113L258 N259 E262 Q267 V268L258-T265 HydrophobicContact CB-CG2 3.93Å; L258-T265 HydrophobicContact CD1-CG2 4.07Å; L258-T265 HydrophobicContact CG-CG2 4.49Å; N259-T265 PolarHBondContact O-OG1 3.21Å; E262-T265 WeakPolarHBondContact CB-OG1 3.38Å; E262-T265 WeakPolarHBondContact O-CB 3.39Å; E262-T265 PolarHBondContact O-N 3.04Å; E262-T265 PolarHBondContact O-OG1 3.27Å; E262-T265 VanDerWaalsContact O-OG1 3.08Å; T265-Q267 PolarHBondContact O-N 2.97Å; T265-Q267 VanDerWaalsContact O-N 3.15Å; T265-V268 WeakPolarHBondContact O-CG2 3.21Å; T265-V268 PolarHBondContact O-N 3.49Å
266S90.9Very high90.9Very high52 Ų5244.1 Ų44.136%0.36425%0.249SC..Hα-helixtrans-64.3-17.4176.5450000114.4R178 S264 V269 I339R178-S266 PolarHBondContact NH2-OG 3.19Å; S264-S266 VanDerWaalsContact C-N 3.31Å; S264-S266 PolarHBondContact O-N 3.34Å; S266-V269 WeakPolarHBondContact O-CG2 3.31Å; S266-I339 WeakPolarHBondContact O-CD1 3.39Å
267Q93.3Very high92.1Very high24 Ų2438.4 Ų38.411%0.11221%0.214CC..Hα-helixtrans-92-37.6-178.2-58.9178.2-96.600112.2R178 S264 T265 V269 H270 I339 F340R178-Q267 VanDerWaalsContact CZ-OE1 3.22Å; R178-Q267 VanDerWaalsContact NH1-OE1 3.16Å; S264-Q267 WeakPolarHBondContact O-CB 3.36Å; S264-Q267 PolarHBondContact O-N 3.17Å; T265-Q267 PolarHBondContact O-N 2.97Å; T265-Q267 VanDerWaalsContact O-N 3.15Å; Q267-V269 VanDerWaalsContact C-N 3.28Å; Q267-V269 PolarHBondContact O-N 3.27Å; Q267-H270 PolarHBondContact O-N 3.01Å; Q267-I339 HydrophobicContact CG-CG2 3.85Å; Q267-F340 HydrophobicContact CB-CZ 3.87Å; Q267-F340 HydrophobicContact CG-CE1 4.18Å; Q267-F340 HydrophobicContact CG-CZ 3.8Å; Q267-F340 VanDerWaalsContact NE2-CE1 3.31Å
268V93.9Very high93Very high8 Ų839.8 Ų39.85%0.04822%0.221CC..Hα-helixtrans-83.8-0.8-171.6-60.90000114T66 L67 V70 H249 L258 S264 T265 H270T66-V268 HydrophobicContact CG2-CG1 3.94Å; T66-V268 HydrophobicContact CG2-CG2 4.01Å; L67-V268 HydrophobicContact CB-CG1 4.22Å; V70-V268 HydrophobicContact CG2-CB 4.15Å; V70-V268 HydrophobicContact CG2-CG2 3.94Å; H249-V268 PolarHBondContact CD2-O 3.17Å; H249-V268 PolarHBondContact NE2-O 3.04Å; L258-V268 HydrophobicContact CD2-CG2 4.11Å; S264-V268 PolarHBondContact O-N 2.92Å; T265-V268 WeakPolarHBondContact O-CG2 3.21Å; T265-V268 PolarHBondContact O-N 3.49Å; V268-H270 VanDerWaalsContact C-N 3.26Å
269V93.1Very high93.3Very high51 Ų5140 Ų4031%0.30922%0.224SC..THydrogen-bonded Turntrans-79-14168.3-65.50000112.1Q250 L258 S266 Q267Q250-V269 WeakPolarHBondContact CB-O 3.33Å; L258-V269 HydrophobicContact CD1-CG1 3.44Å; L258-V269 VanDerWaalsContact CD1-CG1 3.44Å; S266-V269 WeakPolarHBondContact O-CG2 3.31Å; Q267-V269 VanDerWaalsContact C-N 3.28Å; Q267-V269 PolarHBondContact O-N 3.27Å
270H94.6Very high93.8Very high14 Ų1437.6 Ų37.67%0.06521%0.211CC..SBendtrans-92.9150.9176.3-63.3-73.5000110.5H249 Q267 V268 F336H249-H270 PolarHBondContact NE2-O 2.77Å; Q267-H270 PolarHBondContact O-N 3.01Å; V268-H270 VanDerWaalsContact C-N 3.26Å; H270-F336 HydrophobicContact CB-CD2 4.3Å; H270-F336 HydrophobicContact CB-CE2 4.31Å; H270-F336 AromaticContact CD2-CD2 3.93Å; H270-F336 AromaticContact CG-CD2 3.78Å; H270-F336 AromaticContact ND1-CD2 3.84Å
271P95.7Very high94.1Very high18 Ų1830.4 Ų30.412%0.11718%0.184CC..PPolyproline II helixtrans-48.5158.9169-23.828.5000113.3Q250 H273 M326 L330Q250-P271 HydrophobicContact CG-CB 4.5Å; Q250-P271 HydrophobicContact CG-CG 3.84Å; P271-H273 PolarHBondContact O-CD2 2.93Å; P271-H273 PolarHBondContact O-N 3.13Å; P271-M326 HydrophobicContact CB-CE 4.12Å; P271-M326 HydrophobicContact CB-CG 3.36Å; P271-M326 HydrophobicContact CB-SD 3.67Å; P271-M326 HydrophobicContact CG-CE 4.13Å; P271-M326 HydrophobicContact CG-CG 3.88Å; P271-M326 HydrophobicContact CG-SD 3.49Å; P271-M326 WeakPolarHBondContact CG-SD 3.43Å; P271-L330 HydrophobicContact CB-CD1 4.29Å; P271-L330 HydrophobicContact CG-CD1 4.28Å; P271-L330 HydrophobicContact CG-CD2 4.47Å
272I97.6Very high94.3Very high13 Ų1325.8 Ų25.87%0.06716%0.164CC..SBendtrans-56.3128.6172.7-55.9178.1000109L71 V224 P227L71-I272 HydrophobicContact CD1-CD1 4.22Å; L71-I272 HydrophobicContact CD2-CD1 3.89Å; L71-I272 HydrophobicContact CD2-CG1 4.25Å; V224-I272 HydrophobicContact CB-CG2 4.01Å; V224-I272 HydrophobicContact CG1-CG2 4.15Å; P227-I272 HydrophobicContact CB-CD1 3.5Å; P227-I272 VanDerWaalsContact CB-CD1 3.5Å; P227-I272 HydrophobicContact CB-CG2 4.39Å; P227-I272 HydrophobicContact CG-CD1 4.16Å; P227-I272 HydrophobicContact CG-CG2 4.34Å
273H97.1Very high94.2Very high13 Ų1333.9 Ų33.96%0.0621%0.208CC..  trans-150.1164.7-169.367.461.4000112.7P271 A275 T327 L330 F336 F340P271-H273 PolarHBondContact O-CD2 2.93Å; P271-H273 PolarHBondContact O-N 3.13Å; H273-A275 PolarHBondContact ND1-N 2.67Å; H273-T327 WeakPolarHBondContact CA-OG1 3.15Å; H273-L330 HydrophobicContact CB-CD1 3.77Å; H273-F336 HydrophobicContact CB-CZ 4.41Å; H273-F336 AromaticContact CD2-CE2 3.51Å; H273-F336 AromaticContact CD2-CZ 3.93Å; H273-F336 AromaticContact CG-CE2 3.91Å; H273-F336 AromaticContact CG-CZ 3.85Å; H273-F336 AromaticContact ND1-CZ 3.99Å; H273-F336 AromaticContact NE2-CE2 3.71Å; H273-F340 AromaticContact CE1-CE1 3.39Å; H273-F340 WeakPolarHBondContact CE1-CE1 3.34Å; H273-F340 AromaticContact CE1-CE2 3.91Å; H273-F340 AromaticContact CE1-CZ 3.28Å; H273-F340 WeakPolarHBondContact CE1-CZ 3.49Å; H273-F340 AromaticContact NE2-CE1 3.76Å; H273-F340 AromaticContact NE2-CE2 3.59Å; H273-F340 AromaticContact NE2-CZ 3.12Å; H273-F340 WeakPolarHBondContact NE2-CZ 3.35Å
274L97Very high94.3Very high34 Ų3433.1 Ų33.118%0.17821%0.211CC..SBendtrans-96.7-5.6-175.4-51.7176.5000115.2V224 L225 S276 L277 P319 V323 T327V224-L274 HydrophobicContact CG2-CD2 4.46Å; L225-L274 HydrophobicContact CD2-CD2 3.91Å; L274-S276 PolarHBondContact O-N 3.28Å; L274-L277 HydrophobicContact CD2-CD2 4.4Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 2.85Å; L274-P319 HydrophobicContact CD1-CB 3.76Å; L274-P319 HydrophobicContact CD1-CG 3.84Å; L274-P319 HydrophobicContact CD2-CB 4.25Å; L274-V323 HydrophobicContact CD1-CG1 4.46Å; L274-V323 HydrophobicContact CD2-CG1 3.69Å; L274-V323 HydrophobicContact CG-CG1 3.82Å; L274-T327 HydrophobicContact CB-CG2 4.14Å; L274-T327 PolarHBondContact N-OG1 3.17Å
275A94.8Very high94.5Very high32 Ų3233.4 Ų33.426%0.26421%0.212SC..THydrogen-bonded Turntrans-58-24.4-171.100000115.5H273 F336 F340H273-A275 PolarHBondContact ND1-N 2.67Å; A275-F336 HydrophobicContact CB-CE1 3.77Å; A275-F336 HydrophobicContact CB-CZ 3.54Å; A275-F340 HydrophobicContact CB-CB 3.98Å; A275-F340 HydrophobicContact CB-CD1 4.01Å; A275-F340 HydrophobicContact CB-CG 3.91Å
276S94.5Very high94.7Very high9 Ų935.5 Ų35.56%0.06323%0.225CC..THydrogen-bonded Turntrans-91.3-8.3177.7-81.40000114.7R166 L274 S279 F340R166-S276 PolarHBondContact NH2-O 2.94Å; L274-S276 PolarHBondContact O-N 3.28Å; S276-S279 PolarHBondContact O-OG 3.39Å; S276-F340 WeakPolarHBondContact OG-CD1 3.36Å; S276-F340 WeakPolarHBondContact OG-CE1 3.15Å
277L95.7Very high95.1Very high16 Ų1633.6 Ų33.68%0.08421%0.211CC..THydrogen-bonded Turntrans-66-57.2-166.2-16870.6000111.7E221 V224 L225 L274 Y316E221-L277 HydrophobicContact CB-CD1 3.8Å; E221-L277 HydrophobicContact CG-CD1 3.61Å; V224-L277 HydrophobicContact CG2-CD1 3.86Å; L225-L277 HydrophobicContact CD2-CD2 3.79Å; L225-L277 HydrophobicContact CG-CD2 4.23Å; L274-L277 HydrophobicContact CD2-CD2 4.4Å; L274-L277 WeakPolarHBondContact O-CB 3.47Å; L274-L277 PolarHBondContact O-N 2.85Å; L277-Y316 HydrophobicContact CD1-CD2 3.77Å; L277-Y316 HydrophobicContact CD1-CE2 4.2Å; L277-Y316 HydrophobicContact CD1-CG 4.47Å; L277-Y316 HydrophobicContact CD2-CD2 4.06Å; L277-Y316 HydrophobicContact CG-CD2 3.61Å; L277-Y316 HydrophobicContact CG-CE2 4.03Å
278T95.7Very high95.2Very high57 Ų5735.2 Ų35.235%0.3522%0.224SC..SBendtrans-106.27-175.856.70000113.5W280 A281 S282 P313 P314T278-W280 PolarHBondContact O-N 3.09Å; T278-A281 PolarHBondContact O-N 3.19Å; T278-S282 PolarHBondContact O-N 2.73Å; T278-P313 HydrophobicContact CG2-CB 4.32Å; T278-P314 HydrophobicContact CG2-CG 4.23Å
279S94.6Very high95.3Very high22 Ų2242.9 Ų42.915%0.15426%0.259CS..G310 helixtrans-53.4-30-175.563.70000114.6S276 A281 S282S276-S279 PolarHBondContact O-OG 3.39Å; S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 3.41Å; S279-S282 PolarHBondContact O-N 2.56Å; S279-S282 PolarHBondContact O-OG 3.18Å
280W96.9Very high95.4Very high0 Ų044.4 Ų44.40%027%0.271CS..G310 helixtrans-72.7-18.6178.570.3-94.7000114.1R169 A170 N173 T278 S285 L287 I292 V312 P314 Y316R169-W280 HydrophobicContact CB-CD2 3.71Å; R169-W280 HydrophobicContact CB-CE3 3.6Å; R169-W280 HydrophobicContact CB-CG 4.26Å; R169-W280 HydrophobicContact CB-CH2 4.33Å; R169-W280 HydrophobicContact CB-CZ2 4.36Å; R169-W280 HydrophobicContact CB-CZ3 3.95Å; R169-W280 HydrophobicContact CG-CE3 4.38Å; R169-W280 HydrophobicContact CG-CZ3 4.25Å; R169-W280 VanDerWaalsContact CZ-CH2 3.46Å; A170-W280 VanDerWaalsContact CB-CD1 3.48Å; A170-W280 HydrophobicContact CB-CG 4.17Å; N173-W280 HydrophobicContact CB-CB 3.67Å; T278-W280 PolarHBondContact O-N 3.09Å; W280-S285 WeakPolarHBondContact O-CB 3.42Å; W280-S285 PolarHBondContact O-OG 3.47Å; W280-L287 HydrophobicContact CB-CD1 4.24Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; W280-I292 HydrophobicContact CE3-CG1 4.35Å; W280-I292 HydrophobicContact CZ3-CG1 4.4Å; W280-I292 HydrophobicContact CZ3-CG2 4.05Å; W280-I292 WeakPolarHBondContact O-CD1 3.27Å; W280-V312 HydrophobicContact CH2-CG2 4.3Å; W280-P314 HydrophobicContact CZ2-CB 4.13Å; W280-P314 HydrophobicContact CZ2-CG 3.53Å; W280-Y316 PolarHBondContact NE1-OH 2.93Å
281A95.9Very high95.4Very high22 Ų2243.9 Ų43.918%0.18227%0.269CS..G310 helixtrans-103.44.2177.200000112.5T278 S279 V312 P313T278-A281 PolarHBondContact O-N 3.19Å; S279-A281 VanDerWaalsContact C-N 3.28Å; S279-A281 PolarHBondContact O-N 3.41Å; A281-V312 HydrophobicContact CB-CG1 3.8Å; A281-P313 HydrophobicContact CB-CB 4.06Å
282S93.9Very high95.4Very high54 Ų5444 Ų4438%0.37827%0.269SS..SBendtrans-91.3165.9178.7760000111.9T278 S279 G284 S285T278-S282 PolarHBondContact O-N 2.73Å; S279-S282 PolarHBondContact O-N 2.56Å; S279-S282 PolarHBondContact O-OG 3.18Å; S282-G284 PolarHBondContact O-N 3.25Å; S282-G284 PolarHBondContact OG-N 2.92Å; S282-S285 WeakPolarHBondContact O-CB 3.28Å; S282-S285 PolarHBondContact O-N 2.95Å
283N90.7Very high95.1Very high179 Ų17946.3 Ų46.396%0.95729%0.286SS*.THydrogen-bonded Turntrans-57.4-19.3172.1-66.3-4.2000113.6S285N283-S285 VanDerWaalsContact C-N 3.3Å
284G91Very high95Very high43 Ų4347.2 Ų47.244%0.44329%0.293SS..THydrogen-bonded Turntrans-86.66.2175.700000114.5S282S282-G284 PolarHBondContact O-N 3.25Å; S282-G284 PolarHBondContact OG-N 2.92Å
285S96.3Very high94.9Very high22 Ų2246.4 Ų46.415%0.15429%0.289CS..  trans-70.5144.9175.9-170.70000111.3N173 W280 S282 N283 L287N173-S285 PolarHBondContact OD1-OG 3.16Å; W280-S285 WeakPolarHBondContact O-CB 3.42Å; W280-S285 PolarHBondContact O-OG 3.47Å; S282-S285 WeakPolarHBondContact O-CB 3.28Å; S282-S285 PolarHBondContact O-N 2.95Å; N283-S285 VanDerWaalsContact C-N 3.3Å; S285-L287 PolarHBondContact OG-N 2.58Å
286V96.5Very high94.7Very high63 Ų6346.5 Ų46.538%0.38228%0.284SS..  trans-95.13.1172.4-60.40000112.4N173 V176 K177N173-V286 WeakPolarHBondContact OD1-CG2 3.33Å; N173-V286 PolarHBondContact OD1-N 3.07Å; N173-V286 VanDerWaalsContact OD1-N 3.07Å; V176-V286 HydrophobicContact CB-CG2 3.62Å; V176-V286 HydrophobicContact CG1-CB 4.21Å; V176-V286 HydrophobicContact CG1-CG2 3.56Å; K177-V286 HydrophobicContact CB-CG1 4.21Å; K177-V286 HydrophobicContact CB-CG2 4.23Å; K177-V286 HydrophobicContact CG-CG1 4.44Å
287L97.6Very high94.7Very high12 Ų1252.9 Ų52.96%0.06331%0.307CS..SBendtrans-84.6139.2179.5-58.3177.4000110.6R169 I172 N173 I189 W280 S285 F291 I292R169-L287 HydrophobicContact CB-CD1 4.36Å; I172-L287 HydrophobicContact CB-CD2 4.34Å; I172-L287 HydrophobicContact CG2-CD2 3.91Å; N173-L287 HydrophobicContact CB-CD1 3.89Å; N173-L287 HydrophobicContact CB-CD2 4.37Å; N173-L287 HydrophobicContact CB-CG 3.95Å; I189-L287 HydrophobicContact CD1-CD2 4.2Å; I189-L287 HydrophobicContact CG2-CD2 3.9Å; W280-L287 HydrophobicContact CB-CD1 4.24Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; S285-L287 PolarHBondContact OG-N 2.58Å; L287-F291 HydrophobicContact CB-CD1 4.12Å; L287-F291 HydrophobicContact CD1-CD1 3.91Å; L287-F291 HydrophobicContact CD1-CE1 3.82Å; L287-F291 HydrophobicContact CD2-CD1 4.19Å; L287-F291 HydrophobicContact CD2-CE1 4.13Å; L287-F291 HydrophobicContact CG-CD1 4.31Å; L287-F291 HydrophobicContact CG-CE1 4.46Å; L287-I292 HydrophobicContact CB-CD1 4.04Å; L287-I292 HydrophobicContact CB-CG1 3.87Å; L287-I292 HydrophobicContact CD1-CG1 4.32Å
288P96.7Very high94.5Very high58 Ų5858.9 Ų58.938%0.37733%0.334SS..  trans-58.7145.7171.2-23.933000112.1I189 S290 F291 I292I189-P288 VanDerWaalsContact CD1-CD 3.48Å; I189-P288 HydrophobicContact CD1-CG 4.23Å; P288-S290 PolarHBondContact O-N 2.83Å; P288-F291 HydrophobicContact CB-CB 4.27Å; P288-F291 HydrophobicContact CG-CB 4.5Å; P288-F291 WeakPolarHBondContact O-CB 3.46Å; P288-F291 PolarHBondContact O-N 3.38Å; P288-F291 VanDerWaalsContact O-N 3.1Å; P288-I292 PolarHBondContact O-N 3.26Å
289E94.9Very high94.5Very high169 Ų16956.1 Ų56.179%0.7932%0.318SS*.Hα-helixtrans-59-35.9175.1-67.9-178.6174.600112.3I292 S293E289-I292 PolarHBondContact O-N 3.06Å; E289-S293 VanDerWaalsContact O-CB 3.26Å; E289-S293 WeakPolarHBondContact O-CB 3.35Å; E289-S293 PolarHBondContact O-N 2.91Å; E289-S293 PolarHBondContact O-OG 3.22Å
290S94.7Very high94.6Very high82 Ų8260.3 Ų60.357%0.57334%0.338SS*.Hα-helixtrans-59.2-47.317454.10000111.5P288 S293 S294P288-S290 PolarHBondContact O-N 2.83Å; S290-S293 PolarHBondContact O-N 2.98Å; S290-S293 PolarHBondContact O-OG 3.43Å; S290-S293 VanDerWaalsContact O-OG 3.07Å; S290-S294 WeakPolarHBondContact O-CB 3.11Å; S290-S294 PolarHBondContact O-N 2.89Å; S290-S294 PolarHBondContact O-OG 3.48Å
291F96.6Very high94.7Very high3 Ų360.8 Ų60.81%0.01334%0.341CS..Hα-helixtrans-61.4-49.7176.9179.2-90000111.7R169 I189 D190 F193 L287 P288 S293 S294 I295R169-F291 HydrophobicContact CB-CE1 4.43Å; R169-F291 HydrophobicContact CG-CE1 4.03Å; I189-F291 HydrophobicContact CG2-CD1 4.28Å; I189-F291 HydrophobicContact CG2-CD2 3.7Å; I189-F291 HydrophobicContact CG2-CE1 4.35Å; I189-F291 HydrophobicContact CG2-CE2 3.77Å; I189-F291 HydrophobicContact CG2-CG 3.95Å; I189-F291 HydrophobicContact CG2-CZ 4.1Å; D190-F291 VanDerWaalsContact OD1-CD2 3.31Å; D190-F291 WeakPolarHBondContact OD1-CD2 3.33Å; F193-F291 HydrophobicContact CB-CE2 3.74Å; F193-F291 HydrophobicContact CB-CZ 3.78Å; F193-F291 HydrophobicContact CD2-CE2 4.21Å; F193-F291 AromaticContact CD2-CZ 3.55Å; F193-F291 HydrophobicContact CD2-CZ 3.55Å; F193-F291 HydrophobicContact CE2-CZ 4.33Å; F193-F291 AromaticContact CG-CE2 3.94Å; F193-F291 HydrophobicContact CG-CE2 3.94Å; F193-F291 AromaticContact CG-CZ 3.75Å; F193-F291 HydrophobicContact CG-CZ 3.75Å; L287-F291 HydrophobicContact CB-CD1 4.12Å; L287-F291 HydrophobicContact CD1-CD1 3.91Å; L287-F291 HydrophobicContact CD1-CE1 3.82Å; L287-F291 HydrophobicContact CD2-CD1 4.19Å; L287-F291 HydrophobicContact CD2-CE1 4.13Å; L287-F291 HydrophobicContact CG-CD1 4.31Å; L287-F291 HydrophobicContact CG-CE1 4.46Å; P288-F291 HydrophobicContact CB-CB 4.27Å; P288-F291 HydrophobicContact CG-CB 4.5Å; P288-F291 WeakPolarHBondContact O-CB 3.46Å; P288-F291 PolarHBondContact O-N 3.38Å; P288-F291 VanDerWaalsContact O-N 3.1Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 2.93Å; F291-S294 PolarHBondContact O-N 3.4Å; F291-I295 HydrophobicContact CD1-CG2 4.23Å; F291-I295 HydrophobicContact CD2-CB 4.13Å; F291-I295 HydrophobicContact CD2-CD1 4.33Å; F291-I295 HydrophobicContact CD2-CG1 4.19Å; F291-I295 HydrophobicContact CE1-CG2 3.94Å; F291-I295 HydrophobicContact CE2-CB 4Å; F291-I295 HydrophobicContact CE2-CD1 3.92Å; F291-I295 HydrophobicContact CE2-CG1 3.63Å; F291-I295 HydrophobicContact CE2-CG2 4.3Å; F291-I295 HydrophobicContact CG-CB 4.46Å; F291-I295 HydrophobicContact CZ-CB 4.2Å; F291-I295 HydrophobicContact CZ-CG1 3.91Å; F291-I295 HydrophobicContact CZ-CG2 3.99Å; F291-I295 WeakPolarHBondContact O-CB 3.47Å; F291-I295 WeakPolarHBondContact O-CG2 3.34Å; F291-I295 PolarHBondContact O-N 2.96Å; F291-I295 VanDerWaalsContact O-N 3.07Å
292I95.7Very high94.8Very high22 Ų2259.8 Ų59.811%0.11333%0.333CS..Hα-helixtrans-55.7-43.8178.4-72.9173.6000110.9W280 L287 P288 E289 V312W280-I292 HydrophobicContact CE3-CG1 4.35Å; W280-I292 HydrophobicContact CZ3-CG1 4.4Å; W280-I292 HydrophobicContact CZ3-CG2 4.05Å; W280-I292 WeakPolarHBondContact O-CD1 3.27Å; L287-I292 HydrophobicContact CB-CD1 4.04Å; L287-I292 HydrophobicContact CB-CG1 3.87Å; L287-I292 HydrophobicContact CD1-CG1 4.32Å; P288-I292 PolarHBondContact O-N 3.26Å; E289-I292 PolarHBondContact O-N 3.06Å; I292-V312 HydrophobicContact CG2-CB 4.48Å; I292-V312 HydrophobicContact CG2-CG1 3.56Å; I292-V312 HydrophobicContact CG2-CG2 4.11Å
293S91.3Very high95Very high60 Ų6062.1 Ų62.142%0.4234%0.336SS..Hα-helixtrans-83-15.6-173.2630000115.1E289 S290 F291 H296 R297E289-S293 VanDerWaalsContact O-CB 3.26Å; E289-S293 WeakPolarHBondContact O-CB 3.35Å; E289-S293 PolarHBondContact O-N 2.91Å; E289-S293 PolarHBondContact O-OG 3.22Å; S290-S293 PolarHBondContact O-N 2.98Å; S290-S293 PolarHBondContact O-OG 3.43Å; S290-S293 VanDerWaalsContact O-OG 3.07Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 2.93Å; S293-H296 PolarHBondContact O-CE1 3.02Å; S293-R297 VanDerWaalsContact O-CZ 3.31Å; S293-R297 PolarHBondContact O-NH1 3.18Å; S293-R297 PolarHBondContact O-NH2 3.34Å
294S93.4Very high95.3Very high32 Ų3258.7 Ų58.722%0.22432%0.322CS..Hα-helixtrans-121.9-32.5-174.773.70000116.4S290 F291 H296 R297S290-S294 WeakPolarHBondContact O-CB 3.11Å; S290-S294 PolarHBondContact O-N 2.89Å; S290-S294 PolarHBondContact O-OG 3.48Å; F291-S294 PolarHBondContact O-N 3.4Å; S294-H296 PolarHBondContact O-N 3.26Å; S294-R297 VanDerWaalsContact CA-NH2 3.33Å; S294-R297 VanDerWaalsContact CB-NH2 3.27Å; S294-R297 WeakPolarHBondContact O-CB 3.35Å; S294-R297 PolarHBondContact O-N 2.99Å
295I94.9Very high95.6Very high17 Ų1757.1 Ų57.19%0.08730%0.303CS..Hα-helixtrans-60.5-28-164.5-164.863.4000114R169 F193 F291 R297 E298 S299R169-I295 HydrophobicContact CG-CG2 3.73Å; F193-I295 HydrophobicContact CD1-CD1 3.61Å; F193-I295 HydrophobicContact CD1-CG1 3.51Å; F193-I295 HydrophobicContact CD2-CG1 4.12Å; F193-I295 HydrophobicContact CE1-CD1 3.77Å; F193-I295 HydrophobicContact CE1-CG1 3.39Å; F193-I295 HydrophobicContact CE2-CG1 3.97Å; F193-I295 HydrophobicContact CG-CD1 4.24Å; F193-I295 HydrophobicContact CG-CG1 3.88Å; F193-I295 HydrophobicContact CZ-CD1 4.48Å; F193-I295 HydrophobicContact CZ-CG1 3.61Å; F291-I295 HydrophobicContact CD1-CG2 4.23Å; F291-I295 HydrophobicContact CD2-CB 4.13Å; F291-I295 HydrophobicContact CD2-CD1 4.33Å; F291-I295 HydrophobicContact CD2-CG1 4.19Å; F291-I295 HydrophobicContact CE1-CG2 3.94Å; F291-I295 HydrophobicContact CE2-CB 4Å; F291-I295 HydrophobicContact CE2-CD1 3.92Å; F291-I295 HydrophobicContact CE2-CG1 3.63Å; F291-I295 HydrophobicContact CE2-CG2 4.3Å; F291-I295 HydrophobicContact CG-CB 4.46Å; F291-I295 HydrophobicContact CZ-CB 4.2Å; F291-I295 HydrophobicContact CZ-CG1 3.91Å; F291-I295 HydrophobicContact CZ-CG2 3.99Å; F291-I295 WeakPolarHBondContact O-CB 3.47Å; F291-I295 WeakPolarHBondContact O-CG2 3.34Å; F291-I295 PolarHBondContact O-N 2.96Å; F291-I295 VanDerWaalsContact O-N 3.07Å; I295-R297 PolarHBondContact O-N 2.97Å; I295-E298 PolarHBondContact O-N 3.33Å; I295-S299 PolarHBondContact O-N 2.93Å
296H92.1Very high95.7Very high34 Ų3458 Ų5816%0.15732%0.316CS..Hα-helixtrans-63.1-27.6177.565.4-85.6000113.8S293 S294 E298 L302 A308S293-H296 PolarHBondContact O-CE1 3.02Å; S294-H296 PolarHBondContact O-N 3.26Å; H296-E298 VanDerWaalsContact C-N 3.31Å; H296-L302 HydrophobicContact CB-CD1 4.27Å; H296-A308 HydrophobicContact CB-CB 4.43Å; H296-A308 PolarHBondContact CD2-O 2.78Å; H296-A308 VanDerWaalsContact CD2-O 3.28Å
297R93.1Very high95.8Very high143 Ų14355.2 Ų55.254%0.5430%0.298SS..Hα-helixtrans-71.2-30.1179.6-63.3-169.4-80.6-90.35.2112.1S293 S294 I295 K303S293-R297 VanDerWaalsContact O-CZ 3.31Å; S293-R297 PolarHBondContact O-NH1 3.18Å; S293-R297 PolarHBondContact O-NH2 3.34Å; S294-R297 VanDerWaalsContact CA-NH2 3.33Å; S294-R297 VanDerWaalsContact CB-NH2 3.27Å; S294-R297 WeakPolarHBondContact O-CB 3.35Å; S294-R297 PolarHBondContact O-N 2.99Å; I295-R297 PolarHBondContact O-N 2.97Å; R297-K303 WeakPolarHBondContact O-CE 3.47Å; R297-K303 PolarHBondContact O-NZ 3.06Å
298E91.6Very high95.6Very high142 Ų14254.8 Ų54.866%0.66430%0.297SS*.Hα-helixtrans-99.4-9.1-172-65.4173.2-149.300113.2I295 H296I295-E298 PolarHBondContact O-N 3.33Å; H296-E298 VanDerWaalsContact C-N 3.31Å
299S96.8Very high95.4Very high0 Ų059 Ų590%032%0.316CS..  trans-100.2115.5-175.2179.10000113.3E197 I295 V301 L302 K303E197-S299 WeakPolarHBondContact OE1-CA 3.44Å; E197-S299 VanDerWaalsContact OE1-CB 3.28Å; E197-S299 WeakPolarHBondContact OE1-CB 3.48Å; E197-S299 PolarHBondContact OE1-OG 3.26Å; I295-S299 PolarHBondContact O-N 2.93Å; S299-V301 VanDerWaalsContact C-N 3.34Å; S299-L302 WeakPolarHBondContact OG-CG 3.3Å; S299-L302 PolarHBondContact OG-N 2.91Å; S299-L302 VanDerWaalsContact OG-N 3.09Å; S299-K303 WeakPolarHBondContact O-CG 3.12Å; S299-K303 PolarHBondContact O-N 3.45Å
300D96.4Very high95.5Very high109 Ų10953.6 Ų53.658%0.58329%0.292SS*.Hα-helixtrans-71.1-31.7173.5-72.4-21.9000111.8E197 K303 T304E197-D300 PolarHBondContact OE1-N 2.88Å; D300-K303 PolarHBondContact O-N 3.44Å; D300-T304 VanDerWaalsContact O-CB 3.31Å; D300-T304 WeakPolarHBondContact O-CB 2.98Å; D300-T304 PolarHBondContact O-N 3.21Å; D300-T304 PolarHBondContact O-OG1 2.92Å
301V98.2Very high95.4Very high11 Ų1151.7 Ų51.77%0.06729%0.286CS..Hα-helixtrans-71.7-39.3178173.80000111.2W196 E197 V200 L204 S299 K303 T304 L305W196-V301 HydrophobicContact CH2-CB 4.18Å; W196-V301 HydrophobicContact CH2-CG1 3.56Å; W196-V301 HydrophobicContact CZ2-CG1 4.11Å; W196-V301 HydrophobicContact CZ3-CB 4.24Å; W196-V301 HydrophobicContact CZ3-CG1 4.05Å; E197-V301 HydrophobicContact CG-CB 4.08Å; E197-V301 HydrophobicContact CG-CG2 3.77Å; E197-V301 PolarHBondContact OE1-N 2.86Å; V200-V301 HydrophobicContact CB-CG1 4.2Å; V200-V301 HydrophobicContact CG1-CG1 3.72Å; L204-V301 HydrophobicContact CD1-CG1 4.3Å; S299-V301 VanDerWaalsContact C-N 3.34Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.31Å; V301-T304 PolarHBondContact O-N 2.92Å; V301-L305 HydrophobicContact CG1-CD1 3.73Å; V301-L305 HydrophobicContact CG1-CG 4.31Å; V301-L305 WeakPolarHBondContact O-CB 3.23Å; V301-L305 WeakPolarHBondContact O-CG 3.22Å; V301-L305 PolarHBondContact O-N 3.44Å
302L98.3Very high95.2Very high0 Ų055.1 Ų55.10%031%0.307CS..Hα-helixtrans-62.5-39.8172.8-70.3179.8000111.6F193 W196 H296 S299 G306 Y307 A308F193-L302 HydrophobicContact CE2-CD1 4.01Å; F193-L302 HydrophobicContact CE2-CG 4.42Å; F193-L302 HydrophobicContact CZ-CD1 3.62Å; F193-L302 HydrophobicContact CZ-CG 3.96Å; W196-L302 HydrophobicContact CH2-CD2 3.67Å; W196-L302 HydrophobicContact CH2-CG 4.12Å; W196-L302 HydrophobicContact CZ3-CD2 4.16Å; W196-L302 HydrophobicContact CZ3-CG 4.21Å; H296-L302 HydrophobicContact CB-CD1 4.27Å; S299-L302 WeakPolarHBondContact OG-CG 3.3Å; S299-L302 PolarHBondContact OG-N 2.91Å; S299-L302 VanDerWaalsContact OG-N 3.09Å; L302-G306 PolarHBondContact O-N 3.47Å; L302-G306 VanDerWaalsContact O-N 3.13Å; L302-Y307 HydrophobicContact CD2-CD2 3.96Å; L302-Y307 HydrophobicContact CD2-CG 4.32Å; L302-Y307 PolarHBondContact O-N 3.31Å; L302-A308 HydrophobicContact CB-CB 4.48Å; L302-A308 PolarHBondContact O-N 2.76Å
303K97.7Very high95.2Very high103 Ų10358.2 Ų58.245%0.44833%0.328SS..Hα-helixtrans-64-49.4174.4-68.3168.5-167.9162.90111.7R297 S299 D300 V301 L305 G306 A308R297-K303 WeakPolarHBondContact O-CE 3.47Å; R297-K303 PolarHBondContact O-NZ 3.06Å; S299-K303 WeakPolarHBondContact O-CG 3.12Å; S299-K303 PolarHBondContact O-N 3.45Å; D300-K303 PolarHBondContact O-N 3.44Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.31Å; K303-L305 VanDerWaalsContact C-N 3.25Å; K303-L305 PolarHBondContact O-N 3.26Å; K303-G306 PolarHBondContact O-N 3.19Å; K303-A308 HydrophobicContact CB-CB 4.41Å; K303-A308 HydrophobicContact CG-CB 3.66Å
304T97.6Very high95.4Very high107 Ų10755.7 Ų55.766%0.65631%0.311SS*.Hα-helixtrans-58.2-38.4179.7-59.50000111.9L204 D300 V301 G306L204-T304 HydrophobicContact CD1-CG2 4.49Å; D300-T304 VanDerWaalsContact O-CB 3.31Å; D300-T304 WeakPolarHBondContact O-CB 2.98Å; D300-T304 PolarHBondContact O-N 3.21Å; D300-T304 PolarHBondContact O-OG1 2.92Å; V301-T304 PolarHBondContact O-N 2.92Å; T304-G306 VanDerWaalsContact C-N 3.32Å
305L97.9Very high95.6Very high10 Ų1059.6 Ų59.65%0.05233%0.329CS..THydrogen-bonded Turntrans-85.50.3177.6-65.7174.6000113.4V165 V200 L204 K219 V301 K303 Y307V165-L305 HydrophobicContact CB-CD1 4.25Å; V165-L305 HydrophobicContact CG2-CD1 4.47Å; V165-L305 HydrophobicContact CG2-CD2 4.05Å; V200-L305 HydrophobicContact CG1-CD1 4.2Å; L204-L305 HydrophobicContact CD1-CD1 4.43Å; L204-L305 HydrophobicContact CD1-CD2 4.01Å; L204-L305 HydrophobicContact CD1-CG 4.19Å; L204-L305 HydrophobicContact CD2-CD2 4.01Å; K219-L305 WeakPolarHBondContact CE-O 3.34Å; K219-L305 PolarHBondContact NZ-O 3.25Å; V301-L305 HydrophobicContact CG1-CD1 3.73Å; V301-L305 HydrophobicContact CG1-CG 4.31Å; V301-L305 WeakPolarHBondContact O-CB 3.23Å; V301-L305 WeakPolarHBondContact O-CG 3.22Å; V301-L305 PolarHBondContact O-N 3.44Å; K303-L305 VanDerWaalsContact C-N 3.25Å; K303-L305 PolarHBondContact O-N 3.26Å; L305-Y307 HydrophobicContact CB-CD2 3.48Å; L305-Y307 VanDerWaalsContact CB-CD2 3.48Å; L305-Y307 HydrophobicContact CB-CE2 3.5Å; L305-Y307 VanDerWaalsContact CB-CE2 3.5Å; L305-Y307 HydrophobicContact CB-CG 4.38Å; L305-Y307 HydrophobicContact CD1-CD2 4.19Å; L305-Y307 HydrophobicContact CD1-CE2 3.81Å; L305-Y307 HydrophobicContact CG-CD2 4.49Å; L305-Y307 HydrophobicContact CG-CE2 4.26Å
306G97.6Very high95.7Very high41 Ų4160.3 Ų60.342%0.42333%0.331SS..THydrogen-bonded Turntrans70.327.4178.800000114.4L302 K303 T304L302-G306 PolarHBondContact O-N 3.47Å; L302-G306 VanDerWaalsContact O-N 3.13Å; K303-G306 PolarHBondContact O-N 3.19Å; T304-G306 VanDerWaalsContact C-N 3.32Å
307Y97.7Very high95.9Very high4 Ų460.3 Ų60.32%0.01634%0.34CS..  trans-98.1-14.1178-63.3-50.7000113.8D167 R169 K219 E221 L302 L305 D309 L310 Y316D167-Y307 HydrophobicContact CB-CD1 4.33Å; D167-Y307 HydrophobicContact CB-CD2 4.31Å; D167-Y307 HydrophobicContact CB-CE1 4.39Å; D167-Y307 HydrophobicContact CB-CE2 4.39Å; D167-Y307 HydrophobicContact CB-CG 4.28Å; R169-Y307 PolarHBondContact NH2-O 2.93Å; K219-Y307 WeakPolarHBondContact CB-OH 3.41Å; K219-Y307 HydrophobicContact CD-CE1 4.32Å; K219-Y307 WeakPolarHBondContact CG-OH 3.36Å; E221-Y307 HydrophobicContact CG-CE1 4.38Å; E221-Y307 PolarHBondContact OE2-OH 3.47Å; L302-Y307 HydrophobicContact CD2-CD2 3.96Å; L302-Y307 HydrophobicContact CD2-CG 4.32Å; L302-Y307 PolarHBondContact O-N 3.31Å; L305-Y307 HydrophobicContact CB-CD2 3.48Å; L305-Y307 VanDerWaalsContact CB-CD2 3.48Å; L305-Y307 HydrophobicContact CB-CE2 3.5Å; L305-Y307 VanDerWaalsContact CB-CE2 3.5Å; L305-Y307 HydrophobicContact CB-CG 4.38Å; L305-Y307 HydrophobicContact CD1-CD2 4.19Å; L305-Y307 HydrophobicContact CD1-CE2 3.81Å; L305-Y307 HydrophobicContact CG-CD2 4.49Å; L305-Y307 HydrophobicContact CG-CE2 4.26Å; Y307-D309 PolarHBondContact O-N 3.35Å; Y307-L310 HydrophobicContact CD1-CD1 4.06Å; Y307-Y316 AromaticContact CD1-CD1 3.97Å; Y307-Y316 HydrophobicContact CD1-CD1 3.97Å; Y307-Y316 AromaticContact CD1-CE1 3.57Å; Y307-Y316 HydrophobicContact CD1-CE1 3.57Å; Y307-Y316 AromaticContact CE1-CD1 3.98Å; Y307-Y316 HydrophobicContact CE1-CD1 3.98Å; Y307-Y316 AromaticContact CE1-CE1 3.78Å; Y307-Y316 HydrophobicContact CE1-CE1 3.78Å
308A95.3Very high96.1Very high4 Ų458.9 Ų58.93%0.03335%0.348CS..THydrogen-bonded Turntrans-64-43.1-169.900000113.2H296 L302 K303H296-A308 HydrophobicContact CB-CB 4.43Å; H296-A308 PolarHBondContact CD2-O 2.78Å; H296-A308 VanDerWaalsContact CD2-O 3.28Å; L302-A308 HydrophobicContact CB-CB 4.48Å; L302-A308 PolarHBondContact O-N 2.76Å; K303-A308 HydrophobicContact CB-CB 4.41Å; K303-A308 HydrophobicContact CG-CB 3.66Å
309D92.6Very high96.4Very high147 Ų14753.7 Ų53.779%0.78633%0.326SS*.THydrogen-bonded Turntrans-109.930.8-167.2-55-52.6000113.7Y307Y307-D309 PolarHBondContact O-N 3.35Å
310L95.3Very high96.5Very high54 Ų5455.6 Ų55.628%0.28334%0.335SS..SBendtrans-91.1-3.3-176.6-59.2-176.7000114.7Y307 P314 D315 Y316Y307-L310 HydrophobicContact CD1-CD1 4.06Å; L310-P314 HydrophobicContact CB-CB 3.82Å; L310-P314 HydrophobicContact CD1-CB 4.47Å; L310-P314 VanDerWaalsContact O-CA 3.32Å; L310-P314 WeakPolarHBondContact O-CA 3.27Å; L310-D315 WeakPolarHBondContact CD2-O 3.45Å; L310-D315 PolarHBondContact O-N 3.27Å; L310-Y316 HydrophobicContact CD1-CD1 3.47Å; L310-Y316 VanDerWaalsContact CD1-CD1 3.47Å; L310-Y316 HydrophobicContact CD1-CE1 3.77Å; L310-Y316 HydrophobicContact CD1-CG 4.44Å
311G93.4Very high96.6Very high43 Ų4356.7 Ų56.744%0.44334%0.341SS..THydrogen-bonded Turntrans82.6-178.7-174.900000114.6P313 P314G311-P313 CarbonylContact C-O 3.59Å; G311-P313 CarbonylContact O-C 3.51Å; G311-P314 WeakPolarHBondContact O-CA 3.23Å
312V93.2Very high96.4Very high74 Ų7462.3 Ų62.345%0.44837%0.366SS..THydrogen-bonded Turntrans-135.9107.6176.2-177.10000108.2W280 A281 I292W280-V312 HydrophobicContact CH2-CG2 4.3Å; A281-V312 HydrophobicContact CB-CG1 3.8Å; I292-V312 HydrophobicContact CG2-CB 4.48Å; I292-V312 HydrophobicContact CG2-CG1 3.56Å; I292-V312 HydrophobicContact CG2-CG2 4.11Å
313P94Very high96.4Very high87 Ų8762.7 Ų62.757%0.56537%0.368SS*.THydrogen-bonded Turncis-65.9152.9-1.230.7-35.9000112.5T278 A281 G311T278-P313 HydrophobicContact CG2-CB 4.32Å; A281-P313 HydrophobicContact CB-CB 4.06Å; G311-P313 CarbonylContact C-O 3.59Å; G311-P313 CarbonylContact O-C 3.51Å
314P95.6Very high96.4Very high8 Ų860.2 Ų60.25%0.05236%0.362CS..THydrogen-bonded Turntrans-72137.6179.931.5-39000111.9T278 W280 L310 G311 Y316T278-P314 HydrophobicContact CG2-CG 4.23Å; W280-P314 HydrophobicContact CZ2-CB 4.13Å; W280-P314 HydrophobicContact CZ2-CG 3.53Å; L310-P314 HydrophobicContact CB-CB 3.82Å; L310-P314 HydrophobicContact CD1-CB 4.47Å; L310-P314 VanDerWaalsContact O-CA 3.32Å; L310-P314 WeakPolarHBondContact O-CA 3.27Å; G311-P314 WeakPolarHBondContact O-CA 3.23Å; P314-Y316 HydrophobicContact CB-CD1 4.37Å; P314-Y316 HydrophobicContact CB-CD2 4.23Å; P314-Y316 HydrophobicContact CB-CE1 3.93Å; P314-Y316 HydrophobicContact CB-CE2 3.84Å; P314-Y316 HydrophobicContact CG-CD2 3.9Å; P314-Y316 HydrophobicContact CG-CE1 4.12Å; P314-Y316 HydrophobicContact CG-CE2 3.2Å; P314-Y316 WeakPolarHBondContact CG-OH 3.2Å
315D97.2Very high96.3Very high114 Ų11459.5 Ų59.561%0.6135%0.354SS*.  trans-87.4100.9162.3-175.65.7000109.9L310 G317L310-D315 WeakPolarHBondContact CD2-O 3.45Å; L310-D315 PolarHBondContact O-N 3.27Å; D315-G317 VanDerWaalsContact C-N 3.32Å; D315-G317 PolarHBondContact OD1-N 2.62Å
316Y97.8Very high96.2Very high32 Ų3262.2 Ų62.213%0.12537%0.367CS..  trans-85.8-4.4176.6-63.9-65.7000113.5D167 E221 L225 L277 W280 Y307 L310 P314D167-Y316 HydrophobicContact CB-CE1 4.23Å; D167-Y316 VanDerWaalsContact CB-OH 3.27Å; D167-Y316 WeakPolarHBondContact CB-OH 3.41Å; D167-Y316 VanDerWaalsContact CG-OH 3.22Å; D167-Y316 PolarHBondContact OD2-OH 2.98Å; E221-Y316 HydrophobicContact CB-CD1 4.07Å; E221-Y316 HydrophobicContact CB-CD2 4.37Å; E221-Y316 HydrophobicContact CB-CG 3.9Å; E221-Y316 HydrophobicContact CG-CD1 3.69Å; E221-Y316 HydrophobicContact CG-CD2 3.85Å; E221-Y316 HydrophobicContact CG-CE1 3.82Å; E221-Y316 HydrophobicContact CG-CE2 3.92Å; E221-Y316 HydrophobicContact CG-CG 3.7Å; L225-Y316 WeakPolarHBondContact CD1-O 3.25Å; L277-Y316 HydrophobicContact CD1-CD2 3.77Å; L277-Y316 HydrophobicContact CD1-CE2 4.2Å; L277-Y316 HydrophobicContact CD1-CG 4.47Å; L277-Y316 HydrophobicContact CD2-CD2 4.06Å; L277-Y316 HydrophobicContact CG-CD2 3.61Å; L277-Y316 HydrophobicContact CG-CE2 4.03Å; W280-Y316 PolarHBondContact NE1-OH 2.93Å; Y307-Y316 AromaticContact CD1-CD1 3.97Å; Y307-Y316 HydrophobicContact CD1-CD1 3.97Å; Y307-Y316 AromaticContact CD1-CE1 3.57Å; Y307-Y316 HydrophobicContact CD1-CE1 3.57Å; Y307-Y316 AromaticContact CE1-CD1 3.98Å; Y307-Y316 HydrophobicContact CE1-CD1 3.98Å; Y307-Y316 AromaticContact CE1-CE1 3.78Å; Y307-Y316 HydrophobicContact CE1-CE1 3.78Å; L310-Y316 HydrophobicContact CD1-CD1 3.47Å; L310-Y316 VanDerWaalsContact CD1-CD1 3.47Å; L310-Y316 HydrophobicContact CD1-CE1 3.77Å; L310-Y316 HydrophobicContact CD1-CG 4.44Å; P314-Y316 HydrophobicContact CB-CD1 4.37Å; P314-Y316 HydrophobicContact CB-CD2 4.23Å; P314-Y316 HydrophobicContact CB-CE1 3.93Å; P314-Y316 HydrophobicContact CB-CE2 3.84Å; P314-Y316 HydrophobicContact CG-CD2 3.9Å; P314-Y316 HydrophobicContact CG-CE1 4.12Å; P314-Y316 HydrophobicContact CG-CE2 3.2Å; P314-Y316 WeakPolarHBondContact CG-OH 3.2Å
317G96.8Very high96.2Very high34 Ų3460.9 Ų60.935%0.35135%0.351SS..  trans118176.5-176.100000113.9L225 D315L225-G317 WeakPolarHBondContact CD2-O 3.49Å; D315-G317 VanDerWaalsContact C-N 3.32Å; D315-G317 PolarHBondContact OD1-N 2.62Å
318T97.7Very high96.1Very high113 Ų11363.8 Ų63.869%0.69337%0.372SS*.PPolyproline II helixtrans-86.2126.5-173.4-48.10000111.9
319P97.9Very high96.1Very high33 Ų3370 Ų7021%0.21440%0.4CS..PPolyproline II helixtrans-73.1151.3175.828-34000112.9L225 L274 V324L225-P319 HydrophobicContact CD2-CB 3.72Å; L225-P319 HydrophobicContact CD2-CG 4.24Å; L225-P319 CarbonylContact O-C 3.48Å; L225-P319 VanDerWaalsContact O-CA 3.29Å; L225-P319 WeakPolarHBondContact O-CA 3.39Å; L274-P319 HydrophobicContact CD1-CB 3.76Å; L274-P319 HydrophobicContact CD1-CG 3.84Å; L274-P319 HydrophobicContact CD2-CB 4.25Å; P319-V324 HydrophobicContact CB-CG2 3.78Å; P319-V324 HydrophobicContact CG-CG2 3.37Å
320E98.2Very high96.2Very high40 Ų4063.8 Ų63.819%0.18737%0.366CS..PPolyproline II helixtrans-60.2139164.8-74.9171.2-164.100110.6L225 R226 P227 S228 Q322 V323 V324L225-E320 PolarHBondContact O-N 3.47Å; R226-E320 VanDerWaalsContact CA-OE1 3.24Å; R226-E320 WeakPolarHBondContact CA-OE1 3.32Å; R226-E320 HydrophobicContact CB-CG 4.44Å; R226-E320 HydrophobicContact CG-CG 4.47Å; P227-E320 WeakPolarHBondContact CD-OE2 3.11Å; S228-E320 VanDerWaalsContact CB-OE1 3.27Å; S228-E320 WeakPolarHBondContact CB-OE1 3.47Å; S228-E320 PolarHBondContact N-OE1 3.15Å; S228-E320 PolarHBondContact N-OE2 2.8Å; E320-Q322 PolarHBondContact O-N 2.89Å; E320-Q322 VanDerWaalsContact O-N 3.09Å; E320-V323 HydrophobicContact CB-CG2 4.21Å; E320-V323 WeakPolarHBondContact O-CB 3.41Å; E320-V323 PolarHBondContact O-N 3.31Å; E320-V324 PolarHBondContact O-N 2.69Å; E320-V324 VanDerWaalsContact O-N 3.15Å
321N97.7Very high96.1Very high131 Ų13165.4 Ų65.470%0.70138%0.375SS*.Hα-helixtrans-54-35-178.6-72.8-23.3000113V323 V324 N325N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 2.9Å; N321-V324 PolarHBondContact O-N 3.34Å; N321-N325 WeakPolarHBondContact O-CB 3.49Å; N321-N325 PolarHBondContact O-N 2.93Å; N321-N325 PolarHBondContact O-ND2 3.07Å
322Q95.5Very high96.1Very high130 Ų13069.3 Ų69.361%0.60739%0.385SS*.Hα-helixtrans-62.7-40.5177.7-65.1-176.6-0.100111.8E320 M326E320-Q322 PolarHBondContact O-N 2.89Å; E320-Q322 VanDerWaalsContact O-N 3.09Å; Q322-M326 VanDerWaalsContact O-CB 3.23Å; Q322-M326 WeakPolarHBondContact O-CB 3.31Å; Q322-M326 PolarHBondContact O-N 3.49Å
323V97.6Very high96.1Very high7 Ų768.4 Ų68.44%0.04238%0.378CS..Hα-helixtrans-69.8-39.2177.9-177.10000111.1V224 P227 L274 E320 N321 M326 T327V224-V323 WeakPolarHBondContact O-CG1 3.39Å; P227-V323 HydrophobicContact CG-CG2 3.59Å; L274-V323 HydrophobicContact CD1-CG1 4.46Å; L274-V323 HydrophobicContact CD2-CG1 3.69Å; L274-V323 HydrophobicContact CG-CG1 3.82Å; E320-V323 HydrophobicContact CB-CG2 4.21Å; E320-V323 WeakPolarHBondContact O-CB 3.41Å; E320-V323 PolarHBondContact O-N 3.31Å; N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 2.9Å; V323-M326 PolarHBondContact O-N 3Å; V323-T327 VanDerWaalsContact O-CB 3.31Å; V323-T327 WeakPolarHBondContact O-CB 3.37Å; V323-T327 PolarHBondContact O-N 3.45Å; V323-T327 PolarHBondContact O-OG1 3.02Å
324V97.6Very high96.1Very high51 Ų5167.8 Ų67.831%0.30937%0.374SS..Hα-helixtrans-58.9-54.3175.1178.30000110P319 E320 N321 M326 T327 S328P319-V324 HydrophobicContact CB-CG2 3.78Å; P319-V324 HydrophobicContact CG-CG2 3.37Å; E320-V324 PolarHBondContact O-N 2.69Å; E320-V324 VanDerWaalsContact O-N 3.15Å; N321-V324 PolarHBondContact O-N 3.34Å; V324-M326 VanDerWaalsContact C-N 3.32Å; V324-M326 PolarHBondContact O-N 3.28Å; V324-T327 PolarHBondContact O-N 3.48Å; V324-S328 PolarHBondContact O-N 3.27Å; V324-S328 PolarHBondContact O-OG 2.79Å
325N96.7Very high95.9Very high93 Ų9372.9 Ų72.950%0.49740%0.397SS..Hα-helixtrans-58.3-46.5-179.8-68.2-15.7000111.2N321 T327 S328 H329N321-N325 WeakPolarHBondContact O-CB 3.49Å; N321-N325 PolarHBondContact O-N 2.93Å; N321-N325 PolarHBondContact O-ND2 3.07Å; N325-T327 PolarHBondContact O-N 2.71Å; N325-S328 PolarHBondContact O-N 3.38Å; N325-H329 PolarHBondContact O-CD2 3.26Å; N325-H329 PolarHBondContact O-N 3.27Å
326M95.4Very high95.7Very high66 Ų6667.7 Ų67.733%0.32537%0.369SS..Hα-helixtrans-60.6-44178.1-172.459.173.700112.2P271 Q322 V323 V324 S328 H329 L330P271-M326 HydrophobicContact CB-CE 4.12Å; P271-M326 HydrophobicContact CB-CG 3.36Å; P271-M326 HydrophobicContact CB-SD 3.67Å; P271-M326 HydrophobicContact CG-CE 4.13Å; P271-M326 HydrophobicContact CG-CG 3.88Å; P271-M326 HydrophobicContact CG-SD 3.49Å; P271-M326 WeakPolarHBondContact CG-SD 3.43Å; Q322-M326 VanDerWaalsContact O-CB 3.23Å; Q322-M326 WeakPolarHBondContact O-CB 3.31Å; Q322-M326 PolarHBondContact O-N 3.49Å; V323-M326 PolarHBondContact O-N 3Å; V324-M326 VanDerWaalsContact C-N 3.32Å; V324-M326 PolarHBondContact O-N 3.28Å; M326-S328 PolarHBondContact O-N 2.91Å; M326-H329 PolarHBondContact O-N 2.94Å; M326-L330 HydrophobicContact CG-CD1 4.11Å; M326-L330 WeakPolarHBondContact O-CG 3.42Å; M326-L330 PolarHBondContact O-N 3.35Å
327T96.7Very high95.4Very high13 Ų1373.6 Ų73.68%0.0839%0.391CS..Hα-helixtrans-62.8-43.1177.6-58.20000111.2H273 L274 V323 V324 N325 H329 L330 I331H273-T327 WeakPolarHBondContact CA-OG1 3.15Å; L274-T327 HydrophobicContact CB-CG2 4.14Å; L274-T327 PolarHBondContact N-OG1 3.17Å; V323-T327 VanDerWaalsContact O-CB 3.31Å; V323-T327 WeakPolarHBondContact O-CB 3.37Å; V323-T327 PolarHBondContact O-N 3.45Å; V323-T327 PolarHBondContact O-OG1 3.02Å; V324-T327 PolarHBondContact O-N 3.48Å; N325-T327 PolarHBondContact O-N 2.71Å; T327-H329 VanDerWaalsContact C-N 3.3Å; T327-H329 PolarHBondContact O-N 3.26Å; T327-L330 PolarHBondContact O-N 2.93Å; T327-I331 HydrophobicContact CG2-CD1 4.08Å; T327-I331 WeakPolarHBondContact O-CG1 3.18Å; T327-I331 PolarHBondContact O-N 3.3Å
328S95.8Very high95.1Very high65 Ų6582.5 Ų82.546%0.45541%0.414SS..Hα-helixtrans-60.5-37.8176.3-65.80000112.6V324 N325 M326 N332V324-S328 PolarHBondContact O-N 3.27Å; V324-S328 PolarHBondContact O-OG 2.79Å; N325-S328 PolarHBondContact O-N 3.38Å; M326-S328 PolarHBondContact O-N 2.91Å; S328-N332 PolarHBondContact O-ND2 3.01Å
329H95Very high94.7Very high136 Ų13679 Ų7963%0.6339%0.391SS*.Hα-helixtrans-67.7-45.1174.1-70-58000112.2N325 M326 T327 I331 N332N325-H329 PolarHBondContact O-CD2 3.26Å; N325-H329 PolarHBondContact O-N 3.27Å; M326-H329 PolarHBondContact O-N 2.94Å; T327-H329 VanDerWaalsContact C-N 3.3Å; T327-H329 PolarHBondContact O-N 3.26Å; H329-I331 VanDerWaalsContact C-N 3.32Å; H329-I331 PolarHBondContact O-N 3.07Å; H329-N332 PolarHBondContact O-N 3.32Å
330L95.6Very high94.3Very high15 Ų1580.2 Ų80.28%0.07939%0.393CS..Hα-helixtrans-64.2-32.8-178.2-73169.9000113.5P271 H273 M326 T327 N332 D333 F336P271-L330 HydrophobicContact CB-CD1 4.29Å; P271-L330 HydrophobicContact CG-CD1 4.28Å; P271-L330 HydrophobicContact CG-CD2 4.47Å; H273-L330 HydrophobicContact CB-CD1 3.77Å; M326-L330 HydrophobicContact CG-CD1 4.11Å; M326-L330 WeakPolarHBondContact O-CG 3.42Å; M326-L330 PolarHBondContact O-N 3.35Å; T327-L330 PolarHBondContact O-N 2.93Å; L330-N332 PolarHBondContact O-N 3.41Å; L330-N332 VanDerWaalsContact O-N 3.12Å; L330-D333 WeakPolarHBondContact O-CB 3.42Å; L330-D333 PolarHBondContact O-N 3.02Å; L330-F336 HydrophobicContact CB-CD1 3.96Å; L330-F336 HydrophobicContact CB-CD2 3.95Å; L330-F336 HydrophobicContact CB-CE1 3.97Å; L330-F336 HydrophobicContact CB-CE2 3.96Å; L330-F336 HydrophobicContact CB-CG 3.94Å; L330-F336 HydrophobicContact CB-CZ 3.96Å; L330-F336 HydrophobicContact CD1-CD2 4.35Å; L330-F336 HydrophobicContact CD1-CE2 3.91Å; L330-F336 HydrophobicContact CD1-CZ 4.31Å; L330-F336 HydrophobicContact CD2-CD2 4.14Å; L330-F336 HydrophobicContact CG-CD2 4.38Å; L330-F336 HydrophobicContact CG-CE2 4.36Å; L330-F336 WeakPolarHBondContact O-CB 3.41Å; L330-F336 WeakPolarHBondContact O-CD1 3.41Å; L330-F336 WeakPolarHBondContact O-CG 3.17Å
331I93.6Very high94.1Very high89 Ų8982.3 Ų82.346%0.45640%0.403SS..Hα-helixtrans-59.7-26.2177.8-71.7164.1000112.1T327 H329 F336 R337T327-I331 HydrophobicContact CG2-CD1 4.08Å; T327-I331 WeakPolarHBondContact O-CG1 3.18Å; T327-I331 PolarHBondContact O-N 3.3Å; H329-I331 VanDerWaalsContact C-N 3.32Å; H329-I331 PolarHBondContact O-N 3.07Å; I331-F336 HydrophobicContact CG1-CE1 4.48Å; I331-R337 WeakPolarHBondContact O-CD 3.32Å; I331-R337 VanDerWaalsContact O-CG 3.27Å; I331-R337 WeakPolarHBondContact O-CG 3.31Å
332N92.6Very high93.9Very high125 Ų12579.7 Ų79.767%0.66839%0.388SS*.THydrogen-bonded Turntrans-81.4-14.9177-63.7-49.4000113.3S328 H329 L330 P334S328-N332 PolarHBondContact O-ND2 3.01Å; H329-N332 PolarHBondContact O-N 3.32Å; L330-N332 PolarHBondContact O-N 3.41Å; L330-N332 VanDerWaalsContact O-N 3.12Å; N332-P334 WeakPolarHBondContact O-CD 3.42Å
333D93.6Very high93.9Very high54 Ų5476.9 Ų76.929%0.28938%0.375SS..  trans-74.9120.2178.2178.2-4.9000110.9L330 Q335 F336 R337L330-D333 WeakPolarHBondContact O-CB 3.42Å; L330-D333 PolarHBondContact O-N 3.02Å; D333-Q335 VanDerWaalsContact C-N 3.29Å; D333-Q335 PolarHBondContact O-N 2.93Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.33Å; D333-Q335 PolarHBondContact OD1-N 3.03Å; D333-F336 HydrophobicContact CB-CB 3.82Å; D333-F336 WeakPolarHBondContact O-CB 3.26Å; D333-F336 PolarHBondContact O-N 3.1Å; D333-R337 PolarHBondContact O-N 3.39Å
334P93.5Very high93.6Very high74 Ų7481 Ų8148%0.48140%0.395SS..Hα-helixtrans-59.4-33.7176.3-22.733.8000114.4N332 R338N332-P334 WeakPolarHBondContact O-CD 3.42Å; P334-R338 WeakPolarHBondContact O-CG 3.39Å; P334-R338 PolarHBondContact O-N 2.96Å
335Q90.6Very high93.4Very high116 Ų11682.9 Ų82.954%0.54240%0.4SS..Hα-helixtrans-69.1-42.9177.9-179.6174.7-20.700110.5D333 R338D333-Q335 VanDerWaalsContact C-N 3.29Å; D333-Q335 PolarHBondContact O-N 2.93Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.33Å; D333-Q335 PolarHBondContact OD1-N 3.03Å; Q335-R338 PolarHBondContact O-N 3.22Å
336F93.8Very high93.2Very high4 Ų482.2 Ų82.22%0.01839%0.394CS..Hα-helixtrans-60-47.8175.3-172.8-98.4000111.8H270 H273 A275 L330 I331 D333 R338 I339 F340H270-F336 HydrophobicContact CB-CD2 4.3Å; H270-F336 HydrophobicContact CB-CE2 4.31Å; H270-F336 AromaticContact CD2-CD2 3.93Å; H270-F336 AromaticContact CG-CD2 3.78Å; H270-F336 AromaticContact ND1-CD2 3.84Å; H273-F336 HydrophobicContact CB-CZ 4.41Å; H273-F336 AromaticContact CD2-CE2 3.51Å; H273-F336 AromaticContact CD2-CZ 3.93Å; H273-F336 AromaticContact CG-CE2 3.91Å; H273-F336 AromaticContact CG-CZ 3.85Å; H273-F336 AromaticContact ND1-CZ 3.99Å; H273-F336 AromaticContact NE2-CE2 3.71Å; A275-F336 HydrophobicContact CB-CE1 3.77Å; A275-F336 HydrophobicContact CB-CZ 3.54Å; L330-F336 HydrophobicContact CB-CD1 3.96Å; L330-F336 HydrophobicContact CB-CD2 3.95Å; L330-F336 HydrophobicContact CB-CE1 3.97Å; L330-F336 HydrophobicContact CB-CE2 3.96Å; L330-F336 HydrophobicContact CB-CG 3.94Å; L330-F336 HydrophobicContact CB-CZ 3.96Å; L330-F336 HydrophobicContact CD1-CD2 4.35Å; L330-F336 HydrophobicContact CD1-CE2 3.91Å; L330-F336 HydrophobicContact CD1-CZ 4.31Å; L330-F336 HydrophobicContact CD2-CD2 4.14Å; L330-F336 HydrophobicContact CG-CD2 4.38Å; L330-F336 HydrophobicContact CG-CE2 4.36Å; L330-F336 WeakPolarHBondContact O-CB 3.41Å; L330-F336 WeakPolarHBondContact O-CD1 3.41Å; L330-F336 WeakPolarHBondContact O-CG 3.17Å; I331-F336 HydrophobicContact CG1-CE1 4.48Å; D333-F336 HydrophobicContact CB-CB 3.82Å; D333-F336 WeakPolarHBondContact O-CB 3.26Å; D333-F336 PolarHBondContact O-N 3.1Å; F336-R338 PolarHBondContact O-N 2.8Å; F336-I339 PolarHBondContact O-N 3.06Å; F336-F340 HydrophobicContact CD1-CD2 4.09Å; F336-F340 AromaticContact CD2-CD2 3.65Å; F336-F340 HydrophobicContact CD2-CD2 3.65Å; F336-F340 AromaticContact CD2-CE2 3.68Å; F336-F340 HydrophobicContact CD2-CE2 3.68Å; F336-F340 HydrophobicContact CE1-CB 4.36Å; F336-F340 AromaticContact CE1-CD2 3.85Å; F336-F340 HydrophobicContact CE1-CD2 3.85Å; F336-F340 HydrophobicContact CE1-CG 4.3Å; F336-F340 AromaticContact CE2-CD2 3.39Å; F336-F340 HydrophobicContact CE2-CD2 3.39Å; F336-F340 AromaticContact CE2-CE2 3.31Å; F336-F340 HydrophobicContact CE2-CE2 3.31Å; F336-F340 HydrophobicContact CE2-CG 4.37Å; F336-F340 HydrophobicContact CE2-CZ 4.24Å; F336-F340 HydrophobicContact CG-CD2 4.01Å; F336-F340 HydrophobicContact CG-CE2 4.46Å; F336-F340 AromaticContact CZ-CD2 3.5Å; F336-F340 HydrophobicContact CZ-CD2 3.5Å; F336-F340 AromaticContact CZ-CE2 3.84Å; F336-F340 HydrophobicContact CZ-CE2 3.84Å; F336-F340 HydrophobicContact CZ-CG 4.08Å; F336-F340 WeakPolarHBondContact O-CD2 3.47Å; F336-F340 PolarHBondContact O-N 3.3Å
337R92.2Very high93Very high157 Ų15783.4 Ų83.459%0.59240%0.399SS*.Hα-helixtrans-62.6-23.5178-73-169-67.8150.8-2.9114.6I331 D333 I339I331-R337 WeakPolarHBondContact O-CD 3.32Å; I331-R337 VanDerWaalsContact O-CG 3.27Å; I331-R337 WeakPolarHBondContact O-CG 3.31Å; D333-R337 PolarHBondContact O-N 3.39Å; R337-I339 PolarHBondContact O-N 3.07Å
338R90.6Very high92.7Very high221 Ų22188.8 Ų88.883%0.83442%0.423SS*.Hα-helixtrans-71.6-22.6173.8-74.4173.4-174.6-177.83.1112.4P334 Q335 F336P334-R338 WeakPolarHBondContact O-CG 3.39Å; P334-R338 PolarHBondContact O-N 2.96Å; Q335-R338 PolarHBondContact O-N 3.22Å; F336-R338 PolarHBondContact O-N 2.8Å
339I88.8Confident92.5Very high39 Ų3990.8 Ų90.820%0.242%0.421CS..Hα-helixtrans-96.4-37.6-174-63.1161.2000111.7S266 Q267 F336 R337S266-I339 WeakPolarHBondContact O-CD1 3.39Å; Q267-I339 HydrophobicContact CG-CG2 3.85Å; F336-I339 PolarHBondContact O-N 3.06Å; R337-I339 PolarHBondContact O-N 3.07Å
340F89.7Confident92.2Very high59 Ų5986.6 Ų86.626%0.25940%0.402SS..  trans-105.20-169.9-66.8-75.9000113.8K177 Q267 H273 A275 S276 F336K177-F340 PolarHBondContact NZ-OXT 2.79Å; Q267-F340 HydrophobicContact CB-CZ 3.87Å; Q267-F340 HydrophobicContact CG-CE1 4.18Å; Q267-F340 HydrophobicContact CG-CZ 3.8Å; Q267-F340 VanDerWaalsContact NE2-CE1 3.31Å; H273-F340 AromaticContact CE1-CE1 3.39Å; H273-F340 WeakPolarHBondContact CE1-CE1 3.34Å; H273-F340 AromaticContact CE1-CE2 3.91Å; H273-F340 AromaticContact CE1-CZ 3.28Å; H273-F340 WeakPolarHBondContact CE1-CZ 3.49Å; H273-F340 AromaticContact NE2-CE1 3.76Å; H273-F340 AromaticContact NE2-CE2 3.59Å; H273-F340 AromaticContact NE2-CZ 3.12Å; H273-F340 WeakPolarHBondContact NE2-CZ 3.35Å; A275-F340 HydrophobicContact CB-CB 3.98Å; A275-F340 HydrophobicContact CB-CD1 4.01Å; A275-F340 HydrophobicContact CB-CG 3.91Å; S276-F340 WeakPolarHBondContact OG-CD1 3.36Å; S276-F340 WeakPolarHBondContact OG-CE1 3.15Å; F336-F340 HydrophobicContact CD1-CD2 4.09Å; F336-F340 AromaticContact CD2-CD2 3.65Å; F336-F340 HydrophobicContact CD2-CD2 3.65Å; F336-F340 AromaticContact CD2-CE2 3.68Å; F336-F340 HydrophobicContact CD2-CE2 3.68Å; F336-F340 HydrophobicContact CE1-CB 4.36Å; F336-F340 AromaticContact CE1-CD2 3.85Å; F336-F340 HydrophobicContact CE1-CD2 3.85Å; F336-F340 HydrophobicContact CE1-CG 4.3Å; F336-F340 AromaticContact CE2-CD2 3.39Å; F336-F340 HydrophobicContact CE2-CD2 3.39Å; F336-F340 AromaticContact CE2-CE2 3.31Å; F336-F340 HydrophobicContact CE2-CE2 3.31Å; F336-F340 HydrophobicContact CE2-CG 4.37Å; F336-F340 HydrophobicContact CE2-CZ 4.24Å; F336-F340 HydrophobicContact CG-CD2 4.01Å; F336-F340 HydrophobicContact CG-CE2 4.46Å; F336-F340 AromaticContact CZ-CD2 3.5Å; F336-F340 HydrophobicContact CZ-CD2 3.5Å; F336-F340 AromaticContact CZ-CE2 3.84Å; F336-F340 HydrophobicContact CZ-CE2 3.84Å; F336-F340 HydrophobicContact CZ-CG 4.08Å; F336-F340 WeakPolarHBondContact O-CD2 3.47Å; F336-F340 PolarHBondContact O-N 3.3Å

Retrieved 340 of 340 residues in 123 ms (Link to these results)

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