A0A5K4F6B1_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 A0A5K4F6B1, 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
1M67.3Low76.2Confident214 Ų214137.1 Ų137.1100%1.05466%0.659SS**  0-41.50-150.5166.469.100113.4I3 R4 K5M1-I3 PolarHBondContact O-N 3.43Å; M1-R4 PolarHBondContact O-N 3.44Å; M1-K5 PolarHBondContact O-N 3.46Å
2I76.9Confident76.7Confident133 Ų133135.7 Ų135.768%0.68265%0.651SS**Hα-helixtrans-60.8-43.4-177.1-62.6169.1000113.6R4 K5 L6I2-R4 PolarHBondContact O-N 3.02Å; I2-K5 PolarHBondContact O-N 3.42Å; I2-K5 VanDerWaalsContact O-N 3.16Å; I2-L6 HydrophobicContact CG2-CD1 3.93Å; I2-L6 PolarHBondContact O-N 3.42Å
3I76.2Confident77.2Confident127 Ų127139.5 Ų139.565%0.65166%0.655SS**Hα-helixtrans-62.6-38.9-178.3-60.8173.7000112.5M1 L6 R7M1-I3 PolarHBondContact O-N 3.43Å; I3-L6 PolarHBondContact O-N 3.47Å; I3-R7 PolarHBondContact O-N 2.95Å
4R74.8Confident77.8Confident208 Ų208133.3 Ų133.379%0.78563%0.634SS**Hα-helixtrans-65.1-40.1175.8-86.8-174.3173.1177.6-1.6111.5M1 I2 R7 L8M1-R4 PolarHBondContact O-N 3.44Å; I2-R4 PolarHBondContact O-N 3.02Å; R4-R7 PolarHBondContact O-N 3.16Å; R4-L8 PolarHBondContact O-N 3.38Å
5K75.8Confident78.4Confident156 Ų156130.3 Ų130.368%0.67862%0.622SS**Hα-helixtrans-63.8-42.7176.5-124.9-179.2-179.1-175.30111.5M1 I2 L8 I9M1-K5 PolarHBondContact O-N 3.46Å; I2-K5 PolarHBondContact O-N 3.42Å; I2-K5 VanDerWaalsContact O-N 3.16Å; K5-L8 PolarHBondContact O-N 3.04Å; K5-I9 VanDerWaalsContact O-CG1 3.28Å; K5-I9 WeakPolarHBondContact O-CG1 3.42Å; K5-I9 PolarHBondContact O-N 2.91Å
6L75.2Confident79Confident110 Ų110127.9 Ų127.958%0.57661%0.613SS**Hα-helixtrans-63.7-42.2175.9-77.5162.4000112.8I2 I3 I9 A10I2-L6 HydrophobicContact CG2-CD1 3.93Å; I2-L6 PolarHBondContact O-N 3.42Å; I3-L6 PolarHBondContact O-N 3.47Å; L6-I9 PolarHBondContact O-N 3.33Å; L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.04Å
7R75.7Confident79.4Confident194 Ų194126.7 Ų126.773%0.73261%0.61SS**Hα-helixtrans-64.1-40.1175.1-78.7-171.8178.6-175.70.4112.7I3 R4 A10 L11I3-R7 PolarHBondContact O-N 2.95Å; R4-R7 PolarHBondContact O-N 3.16Å; R7-A10 PolarHBondContact O-N 3.38Å; R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 PolarHBondContact O-N 3.39Å
8L77.1Confident79.9Confident116 Ų116130 Ų13061%0.60762%0.615SS**Hα-helixtrans-61.8-45.3174.3-100.4138.5000111.6R4 K5 A10 L11 Q12R4-L8 PolarHBondContact O-N 3.38Å; K5-L8 PolarHBondContact O-N 3.04Å; L8-A10 PolarHBondContact O-N 2.94Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-Q12 WeakPolarHBondContact O-CB 3.4Å; L8-Q12 PolarHBondContact O-N 3.02Å
9I79.1Confident80.5Confident79 Ų79128 Ų12841%0.40561%0.608SS.*Hα-helixtrans-62.9-41.7176.8-66.1163.3000111.3K5 L6 Q12 R13K5-I9 VanDerWaalsContact O-CG1 3.28Å; K5-I9 WeakPolarHBondContact O-CG1 3.42Å; K5-I9 PolarHBondContact O-N 2.91Å; L6-I9 PolarHBondContact O-N 3.33Å; I9-Q12 PolarHBondContact O-N 2.96Å; I9-R13 WeakPolarHBondContact O-CB 3.49Å; I9-R13 WeakPolarHBondContact O-CG 3.26Å; I9-R13 PolarHBondContact O-N 3.27Å
10A78.3Confident80.9Confident61 Ų61126.4 Ų126.450%0.50460%0.601SS.*Hα-helixtrans-64.7-42.1177.200000112.3L6 R7 L8 R13 S14L6-A10 WeakPolarHBondContact O-CB 3.28Å; L6-A10 PolarHBondContact O-N 3.04Å; R7-A10 PolarHBondContact O-N 3.38Å; L8-A10 PolarHBondContact O-N 2.94Å; A10-R13 PolarHBondContact O-N 3.42Å; A10-S14 PolarHBondContact O-N 3.42Å
11L82.1Confident81.2Confident110 Ų110125.6 Ų125.658%0.57660%0.601SS**Hα-helixtrans-63.9-42.6175.7-161.579.1000111R7 L8 S14 I15R7-L11 WeakPolarHBondContact O-CB 3.48Å; R7-L11 PolarHBondContact O-N 3.39Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-S14 PolarHBondContact O-N 2.93Å; L11-I15 HydrophobicContact CG-CD1 4.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 3.39Å
12Q81.5Confident82.3Confident120 Ų120120.9 Ų120.956%0.56158%0.579SS**Hα-helixtrans-64.1-42178-144.7174.1-3.300111.6L8 I9 I15 I16L8-Q12 WeakPolarHBondContact O-CB 3.4Å; L8-Q12 PolarHBondContact O-N 3.02Å; I9-Q12 PolarHBondContact O-N 2.96Å; Q12-I15 PolarHBondContact O-N 2.96Å; Q12-I16 VanDerWaalsContact O-CG1 3.26Å; Q12-I16 WeakPolarHBondContact O-CG1 3.35Å; Q12-I16 PolarHBondContact O-N 2.98Å
13R83.5Confident82.9Confident185 Ų185119.7 Ų119.770%0.69857%0.573SS**Hα-helixtrans-63.2-40.7173.4-75.8-178.4175.8-168.1-1.7112.6I9 A10 I16 L17I9-R13 WeakPolarHBondContact O-CB 3.49Å; I9-R13 WeakPolarHBondContact O-CG 3.26Å; I9-R13 PolarHBondContact O-N 3.27Å; A10-R13 PolarHBondContact O-N 3.42Å; R13-I16 PolarHBondContact O-N 3.44Å; R13-L17 WeakPolarHBondContact O-CB 3.32Å; R13-L17 PolarHBondContact O-N 3.09Å
14S85.7Confident83.5Confident53 Ų53120.5 Ų120.537%0.37157%0.572SS.*Hα-helixtrans-63.1-42175.5171.10000112.2A10 L11 L17 R18A10-S14 PolarHBondContact O-N 3.42Å; L11-S14 PolarHBondContact O-N 2.93Å; S14-L17 PolarHBondContact O-N 2.96Å; S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.48Å; S14-R18 VanDerWaalsContact O-N 3.09Å
15I86.6Confident84Confident89 Ų89113.4 Ų113.446%0.45656%0.558SS.*Hα-helixtrans-65.7-45.5177.6-68.2164.8000110.3L11 Q12 L17 R18 I19L11-I15 HydrophobicContact CG-CD1 4.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 3.39Å; Q12-I15 PolarHBondContact O-N 2.96Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.41Å; I15-R18 PolarHBondContact O-N 2.96Å; I15-I19 HydrophobicContact CG2-CD1 3.9Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.99Å
16I87.8Confident84.6Confident92 Ų92110.1 Ų110.147%0.47255%0.547SS..Hα-helixtrans-59.6-44.4177-68.7165.8000110.8Q12 R13 R18 I19 I20Q12-I16 VanDerWaalsContact O-CG1 3.26Å; Q12-I16 WeakPolarHBondContact O-CG1 3.35Å; Q12-I16 PolarHBondContact O-N 2.98Å; R13-I16 PolarHBondContact O-N 3.44Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.36Å; I16-I19 PolarHBondContact O-N 3.48Å; I16-I20 HydrophobicContact CG2-CD1 3.81Å; I16-I20 HydrophobicContact CG2-CG1 4.44Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.43Å
17L86.8Confident85Confident107 Ų107107.3 Ų107.356%0.5654%0.54SS*.Hα-helixtrans-63.3-39.5179-167.171.5000112.3R13 S14 I15 I20 L21R13-L17 WeakPolarHBondContact O-CB 3.32Å; R13-L17 PolarHBondContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 2.96Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.41Å; L17-I20 PolarHBondContact O-N 3.25Å; L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.4Å
18R88.6Confident85.3Confident186 Ų186102.7 Ų102.770%0.70253%0.529SS*.Hα-helixtrans-65.6-39175.4-73.9-178.8-178.2-143-0.1112.3S14 I15 I16 L21 L22S14-R18 WeakPolarHBondContact O-CG 3.4Å; S14-R18 PolarHBondContact O-N 3.48Å; S14-R18 VanDerWaalsContact O-N 3.09Å; I15-R18 PolarHBondContact O-N 2.96Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.36Å; R18-L21 PolarHBondContact O-N 3.24Å; R18-L22 WeakPolarHBondContact O-CB 3.38Å; R18-L22 PolarHBondContact O-N 3.01Å
19I89.9Confident85.4Confident92 Ų92100.1 Ų100.147%0.47252%0.521SS..Hα-helixtrans-65.3-43.6175.7-67.2168.3000110.5I15 I16 L21 L22 L23I15-I19 HydrophobicContact CG2-CD1 3.9Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.99Å; I16-I19 PolarHBondContact O-N 3.48Å; I19-L21 PolarHBondContact O-N 2.98Å; I19-L22 PolarHBondContact O-N 3.36Å; I19-L23 HydrophobicContact CG2-CD1 4Å; I19-L23 HydrophobicContact CG2-CG 4.42Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.46Å
20I88.9Confident85.4Confident95 Ų95103.6 Ų103.649%0.48753%0.53SS..Hα-helixtrans-61.5-45.4176.9-67.9168000111I16 L17 L22 L23 F24I16-I20 HydrophobicContact CG2-CD1 3.81Å; I16-I20 HydrophobicContact CG2-CG1 4.44Å; I16-I20 WeakPolarHBondContact O-CG1 3.47Å; I16-I20 PolarHBondContact O-N 3.43Å; L17-I20 PolarHBondContact O-N 3.25Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.9Å; I20-L23 PolarHBondContact O-N 3.47Å; I20-F24 WeakPolarHBondContact O-CB 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å
21L88.1Confident85.1Confident111 Ų111107.4 Ų107.458%0.58154%0.537SS*.Hα-helixtrans-62.6-39.4176.9-79163.6000112.3L17 R18 I19 F24 A25L17-L21 HydrophobicContact CG-CD1 4.36Å; L17-L21 WeakPolarHBondContact O-CG 3.43Å; L17-L21 PolarHBondContact O-N 3.4Å; R18-L21 PolarHBondContact O-N 3.24Å; I19-L21 PolarHBondContact O-N 2.98Å; L21-F24 PolarHBondContact O-N 2.95Å; L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 3.5Å
22L90.1Very high84.5Confident114 Ų114107 Ų10760%0.59753%0.534SS*.Hα-helixtrans-66.4-43.8177-157.583.2000111.4R18 I19 I20 F24 A25 I26R18-L22 WeakPolarHBondContact O-CB 3.38Å; R18-L22 PolarHBondContact O-N 3.01Å; I19-L22 PolarHBondContact O-N 3.36Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 PolarHBondContact O-N 2.9Å; L22-F24 VanDerWaalsContact C-N 3.32Å; L22-F24 PolarHBondContact O-N 2.89Å; L22-A25 PolarHBondContact O-N 3.41Å; L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.32Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.45Å; L22-I26 PolarHBondContact O-N 3.22Å
23L89.6Confident83.9Confident108 Ų108106.2 Ų106.257%0.56553%0.533SS*.Hα-helixtrans-63.2-38.6175.3-71.4172000111.8I19 I20 I26 A27I19-L23 HydrophobicContact CG2-CD1 4Å; I19-L23 HydrophobicContact CG2-CG 4.42Å; I19-L23 WeakPolarHBondContact O-CG 3.43Å; I19-L23 PolarHBondContact O-N 3.46Å; I20-L23 PolarHBondContact O-N 3.47Å; L23-I26 PolarHBondContact O-N 2.93Å; L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 2.88Å
24F87.7Confident83.1Confident145 Ų145100.9 Ų100.964%0.63652%0.518SS*.Hα-helixtrans-66.4-40.2175.7-154.2-91.8000111.8I20 L21 L22 A27 L28I20-F24 WeakPolarHBondContact O-CB 3.46Å; I20-F24 PolarHBondContact O-N 3.28Å; L21-F24 PolarHBondContact O-N 2.95Å; L22-F24 VanDerWaalsContact C-N 3.32Å; L22-F24 PolarHBondContact O-N 2.89Å; F24-A27 PolarHBondContact O-N 3.36Å; F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 3.39Å
25A86.7Confident81.8Confident58 Ų5899.9 Ų99.948%0.47952%0.516SS..Hα-helixtrans-65.8-38.7175.200000112.5L21 L22 L28 S29L21-A25 WeakPolarHBondContact O-CB 3.35Å; L21-A25 PolarHBondContact O-N 3.5Å; L22-A25 PolarHBondContact O-N 3.41Å; A25-L28 PolarHBondContact O-N 3.29Å; A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 2.9Å; A25-S29 PolarHBondContact O-OG 2.94Å
26I87.5Confident80.4Confident87 Ų87100.9 Ų100.945%0.44653%0.526SS..Hα-helixtrans-67.4-41.7174.6-66.5164.3000110.8L22 L23 S29 Y30L22-I26 HydrophobicContact CD2-CD1 4.47Å; L22-I26 HydrophobicContact CG-CD1 4.32Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.45Å; L22-I26 PolarHBondContact O-N 3.22Å; L23-I26 PolarHBondContact O-N 2.93Å; I26-S29 WeakPolarHBondContact CA-OG 3.27Å; I26-S29 PolarHBondContact O-N 2.94Å; I26-S29 PolarHBondContact O-OG 3.48Å; I26-Y30 WeakPolarHBondContact O-CB 3.49Å; I26-Y30 PolarHBondContact O-N 2.92Å
27A84.1Confident78.7Confident52 Ų52105.4 Ų105.443%0.4354%0.539SS..Hα-helixtrans-65-40.1176.100000111.8L23 F24 Y30 H31L23-A27 WeakPolarHBondContact O-CB 3.48Å; L23-A27 PolarHBondContact O-N 2.88Å; F24-A27 PolarHBondContact O-N 3.36Å; A27-Y30 PolarHBondContact O-N 3.38Å; A27-H31 PolarHBondContact O-N 3.42Å
28L81.9Confident77Confident97 Ų97104.2 Ų104.251%0.50854%0.536SS..Hα-helixtrans-67.4-40.5177-158.278.7000111.5F24 A25 H31 I32F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 3.39Å; A25-L28 PolarHBondContact O-N 3.29Å; L28-H31 PolarHBondContact O-N 2.88Å; L28-I32 HydrophobicContact CG-CD1 4.28Å; L28-I32 WeakPolarHBondContact O-CB 3.42Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 2.91Å
29S79.8Confident74.9Confident61 Ų61100.8 Ų100.843%0.42754%0.535SS..Hα-helixtrans-67.4-37.217563.60000111.8A25 I26 I32 L33A25-S29 WeakPolarHBondContact O-CB 3.36Å; A25-S29 PolarHBondContact O-N 2.9Å; A25-S29 PolarHBondContact O-OG 2.94Å; I26-S29 WeakPolarHBondContact CA-OG 3.27Å; I26-S29 PolarHBondContact O-N 2.94Å; I26-S29 PolarHBondContact O-OG 3.48Å; S29-I32 PolarHBondContact O-N 2.76Å; S29-L33 WeakPolarHBondContact O-CB 3.38Å; S29-L33 PolarHBondContact O-N 3.45Å
30Y77.4Confident72.7Confident152 Ų152103.2 Ų103.260%0.59655%0.549SS*.Hα-helixtrans-65.8-39.3172.8-122.7-94.2000112.3I26 A27 L33 I34I26-Y30 WeakPolarHBondContact O-CB 3.49Å; I26-Y30 PolarHBondContact O-N 2.92Å; A27-Y30 PolarHBondContact O-N 3.38Å; Y30-L33 PolarHBondContact O-N 3.39Å; Y30-I34 HydrophobicContact CD1-CD1 3.74Å; Y30-I34 HydrophobicContact CD1-CG1 4.24Å; Y30-I34 HydrophobicContact CE1-CD1 4.35Å; Y30-I34 VanDerWaalsContact O-CB 3.3Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.35Å; Y30-I34 PolarHBondContact O-N 2.79Å
31H72.4Confident70.4Confident142 Ų142106.2 Ų106.266%0.65756%0.561SS**Hα-helixtrans-71.7-31.9175-91.7-15.3000113.5A27 L28 G35A27-H31 PolarHBondContact O-N 3.42Å; L28-H31 PolarHBondContact O-N 2.88Å; H31-G35 WeakPolarHBondContact O-CA 3.19Å; H31-G35 PolarHBondContact O-N 3.4Å
32I71Confident68.3Low102 Ų102106.1 Ų106.152%0.52357%0.567SS.*Hα-helixtrans-69.9-42.1170.9-67.5165.6000109.6L28 S29 G35 V36L28-I32 HydrophobicContact CG-CD1 4.28Å; L28-I32 WeakPolarHBondContact O-CB 3.42Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.24Å; L28-I32 PolarHBondContact O-N 2.91Å; S29-I32 PolarHBondContact O-N 2.76Å; I32-G35 PolarHBondContact O-N 2.84Å; I32-V36 HydrophobicContact CG2-CG2 4.35Å; I32-V36 WeakPolarHBondContact O-CB 3.3Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 2.88Å
33L66.8Low65.8Low103 Ų103107.5 Ų107.554%0.53958%0.575SS.*Hα-helixtrans-62.9-51.4176.5-135.486.7000110.7S29 Y30 G35 V36 Y37S29-L33 WeakPolarHBondContact O-CB 3.38Å; S29-L33 PolarHBondContact O-N 3.45Å; Y30-L33 PolarHBondContact O-N 3.39Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 3.41Å; L33-V36 PolarHBondContact O-N 2.84Å; L33-Y37 HydrophobicContact CD2-CE2 4.26Å; L33-Y37 HydrophobicContact CG-CD2 4.24Å; L33-Y37 HydrophobicContact CG-CE2 4.11Å; L33-Y37 WeakPolarHBondContact O-CD2 3.14Å; L33-Y37 PolarHBondContact O-N 2.97Å
34I68.2Low63.4Low72 Ų72106 Ų10637%0.36957%0.571SS.*Hα-helixtrans-60.3-45.4176.3-67.9170.1000109.5Y30 V36 Y37 T38Y30-I34 HydrophobicContact CD1-CD1 3.74Å; Y30-I34 HydrophobicContact CD1-CG1 4.24Å; Y30-I34 HydrophobicContact CE1-CD1 4.35Å; Y30-I34 VanDerWaalsContact O-CB 3.3Å; Y30-I34 WeakPolarHBondContact O-CB 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.35Å; Y30-I34 PolarHBondContact O-N 2.79Å; I34-V36 VanDerWaalsContact C-N 3.26Å; I34-V36 PolarHBondContact O-N 2.66Å; I34-Y37 CarbonylContact O-C 3.59Å; I34-Y37 WeakPolarHBondContact O-CA 3.36Å; I34-Y37 PolarHBondContact O-N 2.93Å; I34-T38 HydrophobicContact CG2-CG2 3.58Å; I34-T38 WeakPolarHBondContact O-CA 3.32Å; I34-T38 WeakPolarHBondContact O-CB 3.47Å; I34-T38 WeakPolarHBondContact O-CG2 3.17Å; I34-T38 PolarHBondContact O-N 3.27Å; I34-T38 PolarHBondContact O-OG1 2.85Å
35G57.4Low60.8Low33 Ų33105.6 Ų105.634%0.3458%0.575SS.*Hα-helixtrans-62.1-30.7177.900000113.9H31 I32 L33 V39H31-G35 WeakPolarHBondContact O-CA 3.19Å; H31-G35 PolarHBondContact O-N 3.4Å; I32-G35 PolarHBondContact O-N 2.84Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-G35 PolarHBondContact O-N 3.41Å; G35-V39 VanDerWaalsContact O-CG2 3.32Å; G35-V39 WeakPolarHBondContact O-CG2 3.49Å
36V58.6Low58.2Low109 Ų109109.3 Ų109.366%0.66160%0.596SS**Hα-helixtrans-75.9-29.8172.3170.90000111.6I32 L33 I34I32-V36 HydrophobicContact CG2-CG2 4.35Å; I32-V36 WeakPolarHBondContact O-CB 3.3Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 2.88Å; L33-V36 PolarHBondContact O-N 2.84Å; I34-V36 VanDerWaalsContact C-N 3.26Å; I34-V36 PolarHBondContact O-N 2.66Å
37Y51.6Low56Low188 Ų188110.7 Ų110.774%0.73760%0.603SS**Hα-helixtrans-91.3-18.1177.2-80.2-72.9000114.7L33 I34L33-Y37 HydrophobicContact CD2-CE2 4.26Å; L33-Y37 HydrophobicContact CG-CD2 4.24Å; L33-Y37 HydrophobicContact CG-CE2 4.11Å; L33-Y37 WeakPolarHBondContact O-CD2 3.14Å; L33-Y37 PolarHBondContact O-N 2.97Å; I34-Y37 CarbonylContact O-C 3.59Å; I34-Y37 WeakPolarHBondContact O-CA 3.36Å; I34-Y37 PolarHBondContact O-N 2.93Å
38T50.5Low54Low81 Ų81112.3 Ų112.350%0.49761%0.611SS.*  trans-114.819.5-175.968.70000112.9I34 N40I34-T38 HydrophobicContact CG2-CG2 3.58Å; I34-T38 WeakPolarHBondContact O-CA 3.32Å; I34-T38 WeakPolarHBondContact O-CB 3.47Å; I34-T38 WeakPolarHBondContact O-CG2 3.17Å; I34-T38 PolarHBondContact O-N 3.27Å; I34-T38 PolarHBondContact O-OG1 2.85Å; T38-N40 PolarHBondContact O-N 3.18Å
39V45.6Very low52.4Low114 Ų114115.9 Ų115.969%0.69163%0.631SS**SBendtrans-65.192.4150.4-174.40000105.1G35 E41G35-V39 VanDerWaalsContact O-CG2 3.32Å; G35-V39 WeakPolarHBondContact O-CG2 3.49Å; V39-E41 PolarHBondContact O-N 3.39Å
40N42.2Very low51.5Low144 Ų144121 Ų12177%0.7765%0.645SS**  trans-42.5113.3174.9-80.7-26.3000108.4T38 P42T38-N40 PolarHBondContact O-N 3.18Å; N40-P42 WeakPolarHBondContact O-CD 3.4Å
41E41Very low51.3Low157 Ų157118.1 Ų118.173%0.73465%0.645SS**  trans-53.9123.2166.7-73.5-174.9149.700107.2V39 D43 V44V39-E41 PolarHBondContact O-N 3.39Å; E41-D43 PolarHBondContact O-N 3.32Å; E41-V44 HydrophobicContact CB-CG2 3.95Å; E41-V44 HydrophobicContact CG-CG2 4.44Å
42P44.7Very low51.9Low109 Ų109115 Ų11571%0.70863%0.631SS**  trans-65.7120.5169.427.4-28.6000106.7N40 V44N40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-V44 PolarHBondContact O-N 3.47Å; P42-V44 VanDerWaalsContact O-N 3.1Å
43D37.1Very low53.1Low143 Ų143112.4 Ų112.477%0.76562%0.617SS**  trans9.587.3169.6-105.3-40.4000114.3E41 N45E41-D43 PolarHBondContact O-N 3.32Å; D43-N45 PolarHBondContact O-N 2.92Å
44V38.3Very low54.5Low78 Ų78108.3 Ų108.347%0.47360%0.595SS.*  trans-78.470.2172.3-172.50000107.8E41 P42E41-V44 HydrophobicContact CB-CG2 3.95Å; E41-V44 HydrophobicContact CG-CG2 4.44Å; P42-V44 PolarHBondContact O-N 3.47Å; P42-V44 VanDerWaalsContact O-N 3.1Å
45N33.9Very low56Low136 Ų136104.9 Ų104.973%0.72758%0.578SS**SBendtrans-132.6110.5165.8-88-40.4000107.8D43D43-N45 PolarHBondContact O-N 2.92Å
46C33.2Very low57.9Low135 Ų135103.3 Ų103.391%0.91256%0.562SS**SBendtrans79.846.6-175.1-56.50000117
47I40.4Very low59.9Low116 Ų11698.1 Ų98.160%0.59553%0.53SS*.  trans-94105.3159.6-56.5175.6000107.4N49I47-N49 PolarHBondContact O-N 3.42Å; I47-N49 VanDerWaalsContact O-N 3.17Å
48S42Very low62.1Low87 Ų8789.2 Ų89.261%0.60850%0.495SS*.  trans-52.3124.7164.463.40000107.8K50S48-K50 PolarHBondContact O-N 2.97Å; S48-K50 VanDerWaalsContact O-O 3.09Å
49N48.3Very low64.4Low172 Ų17285.3 Ų85.392%0.9247%0.471SS*.SBendtrans-59.25.7177.2-92.9-15.6000114.7I47I47-N49 PolarHBondContact O-N 3.42Å; I47-N49 VanDerWaalsContact O-N 3.17Å
50K61.3Low66.8Low168 Ų16880 Ų8073%0.7344%0.439SS*.SBendtrans-84.5135.2171.2-72.1-173.1175.5-174.90109.9S48 Q52S48-K50 PolarHBondContact O-N 2.97Å; S48-K50 VanDerWaalsContact O-O 3.09Å; K50-Q52 PolarHBondContact O-N 2.91Å
51P72.5Confident69.4Low92 Ų9274 Ų7460%0.59741%0.408SS*.PPolyproline II helixtrans-55.6136.2170.824.4-32.4000109.6Q53 E158P51-Q53 PolarHBondContact O-N 3.3Å; P51-Q53 VanDerWaalsContact O-N 3.16Å; P51-E158 HydrophobicContact CG-CG 4.28Å
52Q86Confident72.1Confident77 Ų7767.4 Ų67.436%0.3638%0.376SS..PPolyproline II helixtrans-51.6119.2175.7179.369.56100110.2K50 A135 P136 L138K50-Q52 PolarHBondContact O-N 2.91Å; Q52-A135 PolarHBondContact NE2-O 2.83Å; Q52-P136 PolarHBondContact NE2-O 3.39Å; Q52-L138 HydrophobicContact CG-CD1 3.89Å; Q52-L138 HydrophobicContact CG-CG 3.84Å
53Q94.7Very high74.7Confident47 Ų4762.2 Ų62.222%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-67.3134.8176.5-176.6175.9-13.900110P51 V137 L138 L238P51-Q53 PolarHBondContact O-N 3.3Å; P51-Q53 VanDerWaalsContact O-N 3.16Å; Q53-V137 HydrophobicContact CB-CG1 4.37Å; Q53-V137 HydrophobicContact CB-CG2 4.27Å; Q53-V137 HydrophobicContact CG-CG1 4.13Å; Q53-V137 HydrophobicContact CG-CG2 4.46Å; Q53-L138 PolarHBondContact O-N 3.21Å; Q53-L238 PolarHBondContact NE2-O 2.95Å
54I97.5Very high77.6Confident17 Ų1756 Ų569%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-122.3129.8177.1-54.7-180000109.9F56 I128 L138 F156 A159 K160I54-F56 HydrophobicContact CB-CE2 4.24Å; I54-F56 HydrophobicContact CG2-CD2 3.97Å; I54-F56 HydrophobicContact CG2-CE1 4.44Å; I54-F56 HydrophobicContact CG2-CE2 3.45Å; I54-F56 VanDerWaalsContact CG2-CE2 3.45Å; I54-F56 HydrophobicContact CG2-CZ 3.72Å; I54-I128 HydrophobicContact CG2-CD1 4Å; I54-L138 CarbonylContact C-O 3.4Å; I54-L138 VanDerWaalsContact CA-O 3.26Å; I54-L138 WeakPolarHBondContact CA-O 3.36Å; I54-F156 HydrophobicContact CD1-CD1 4.07Å; I54-F156 HydrophobicContact CD1-CE1 3.91Å; I54-A159 HydrophobicContact CB-CB 4.44Å; I54-A159 VanDerWaalsContact O-CA 3.25Å; I54-A159 WeakPolarHBondContact O-CA 3.33Å; I54-A159 WeakPolarHBondContact O-CB 3.37Å; I54-K160 PolarHBondContact O-N 2.75Å; I54-K160 VanDerWaalsContact O-N 3.12Å
55V98.5Very high80.4Confident0 Ų052.5 Ų52.50%029%0.291CS..EExtended strand (participates in β ladder)trans-109.6126.4172.9-178.80000109.6I57 L72 V137 L138 C139 N140 K160 V162 L238V55-I57 HydrophobicContact CG1-CG1 4.46Å; V55-L72 HydrophobicContact CG1-CD1 4.38Å; V55-V137 HydrophobicContact CG2-CG1 3.73Å; V55-L138 PolarHBondContact N-O 2.91Å; V55-C139 HydrophobicContact CB-CB 4.31Å; V55-C139 CarbonylContact O-C 3.59Å; V55-C139 WeakPolarHBondContact O-CA 3.36Å; V55-N140 PolarHBondContact O-N 3.49Å; V55-K160 CarbonylContact C-O 3.57Å; V55-K160 WeakPolarHBondContact CA-O 3.49Å; V55-V162 HydrophobicContact CG1-CG2 4.02Å; V55-L238 HydrophobicContact CG1-CD2 3.98Å; V55-L238 HydrophobicContact CG2-CD2 3.75Å
56F98.8Very high83.4Confident0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-104.6129.6171.9-66.7-91000109.7I54 I124 I128 N140 F146 L152 F156 A159 K160 F161 V162I54-F56 HydrophobicContact CB-CE2 4.24Å; I54-F56 HydrophobicContact CG2-CD2 3.97Å; I54-F56 HydrophobicContact CG2-CE1 4.44Å; I54-F56 HydrophobicContact CG2-CE2 3.45Å; I54-F56 VanDerWaalsContact CG2-CE2 3.45Å; I54-F56 HydrophobicContact CG2-CZ 3.72Å; F56-I124 HydrophobicContact CE1-CG2 4.31Å; F56-I124 HydrophobicContact CZ-CG2 4.37Å; F56-I128 HydrophobicContact CE1-CD1 3.66Å; F56-I128 HydrophobicContact CZ-CD1 3.78Å; F56-N140 CarbonylContact C-O 3.48Å; F56-N140 WeakPolarHBondContact CA-O 3.42Å; F56-N140 HydrophobicContact CD1-CB 3.98Å; F56-N140 HydrophobicContact CE1-CB 4.2Å; F56-F146 HydrophobicContact CB-CE2 3.93Å; F56-F146 HydrophobicContact CB-CZ 4.46Å; F56-F146 WeakPolarHBondContact O-CZ 3.32Å; F56-L152 HydrophobicContact CE1-CD2 4.22Å; F56-L152 HydrophobicContact CZ-CD2 4.35Å; F56-F156 HydrophobicContact CE2-CB 4.33Å; F56-F156 AromaticContact CE2-CD2 3.91Å; F56-F156 HydrophobicContact CE2-CD2 3.91Å; F56-F156 HydrophobicContact CE2-CE2 4.4Å; F56-F156 HydrophobicContact CE2-CG 4.04Å; F56-F156 AromaticContact CZ-CD2 3.74Å; F56-F156 HydrophobicContact CZ-CD2 3.74Å; F56-F156 AromaticContact CZ-CE2 3.78Å; F56-F156 HydrophobicContact CZ-CE2 3.78Å; F56-F156 HydrophobicContact CZ-CG 4.21Å; F56-F156 HydrophobicContact CZ-CZ 4.25Å; F56-A159 HydrophobicContact CD2-CB 3.91Å; F56-A159 HydrophobicContact CE2-CB 3.79Å; F56-K160 PolarHBondContact N-O 3.47Å; F56-F161 HydrophobicContact CB-CD1 3.68Å; F56-F161 HydrophobicContact CB-CE1 3.89Å; F56-F161 HydrophobicContact CD2-CD1 4.17Å; F56-F161 AromaticContact CD2-CE1 3.58Å; F56-F161 HydrophobicContact CD2-CE1 3.58Å; F56-F161 HydrophobicContact CD2-CZ 4.15Å; F56-F161 HydrophobicContact CE2-CE1 4.37Å; F56-F161 HydrophobicContact CG-CD1 4.24Å; F56-F161 AromaticContact CG-CE1 3.93Å; F56-F161 HydrophobicContact CG-CE1 3.93Å; F56-F161 CarbonylContact O-C 3.51Å; F56-F161 WeakPolarHBondContact O-CA 3.38Å; F56-V162 PolarHBondContact O-N 3.38Å
57I98.8Very high86.5Confident0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-109.9130.8173.1-58.4165.2000108.3V55 M68 R69 L72 N140 K141 D142 V162 M164V55-I57 HydrophobicContact CG1-CG1 4.46Å; I57-M68 HydrophobicContact CD1-CG 4.06Å; I57-M68 HydrophobicContact CG1-CG 4.43Å; I57-M68 HydrophobicContact CG2-CB 4.35Å; I57-M68 HydrophobicContact CG2-CG 4.1Å; I57-R69 VanDerWaalsContact CD1-CA 3.41Å; I57-R69 HydrophobicContact CD1-CB 3.44Å; I57-R69 VanDerWaalsContact CD1-CB 3.44Å; I57-L72 HydrophobicContact CD1-CD1 3.93Å; I57-N140 PolarHBondContact N-O 3.28Å; I57-K141 HydrophobicContact CB-CB 4.09Å; I57-K141 HydrophobicContact CB-CG 4.04Å; I57-K141 HydrophobicContact CG2-CG 3.99Å; I57-K141 WeakPolarHBondContact O-CA 3.35Å; I57-D142 PolarHBondContact O-N 2.95Å; I57-V162 WeakPolarHBondContact CA-O 3.31Å; I57-V162 HydrophobicContact CG1-CB 4.13Å; I57-M164 HydrophobicContact CG2-CG 4.27Å
58G98.6Very high89.3Confident0 Ų035.2 Ų35.20%019%0.191CC..EExtended strand (participates in β ladder)trans-158.8-163.2176.400000113.6F146 V162 M164G58-F146 VanDerWaalsContact CA-CD2 3.44Å; G58-V162 PolarHBondContact N-O 3.28Å; G58-M164 PolarHBondContact O-N 3.11Å
59G98.1Very high91.9Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans129.7-166.3-171.600000111P143G59-P143 PolarHBondContact N-O 3.19Å; G59-P143 VanDerWaalsContact N-O 3.11Å; G59-P143 CarbonylContact O-C 3.32Å; G59-P143 WeakPolarHBondContact O-CA 3.23Å; G59-P143 VanDerWaalsContact O-CB 3.23Å; G59-P143 WeakPolarHBondContact O-CB 3.47Å
60Y97.5Very high94.2Very high1 Ų123 Ų230%0.00412%0.119CC..SBendtrans-75140176.7-152.6-94.8000110.6R62 S63 V171 L175 I182 W196 R199 V200Y60-R62 PolarHBondContact O-N 2.95Å; Y60-S63 VanDerWaalsContact O-CB 3.29Å; Y60-S63 WeakPolarHBondContact O-CB 3.33Å; Y60-S63 PolarHBondContact O-N 3.29Å; Y60-S63 PolarHBondContact O-OG 3.26Å; Y60-V171 HydrophobicContact CD1-CG1 3.62Å; Y60-V171 HydrophobicContact CE1-CG1 3.98Å; Y60-L175 HydrophobicContact CE1-CD1 3.91Å; Y60-I182 HydrophobicContact CD1-CD1 4.4Å; Y60-I182 HydrophobicContact CE1-CD1 3.69Å; Y60-W196 HydrophobicContact CD1-CB 4.44Å; Y60-W196 AromaticContact CD1-CD1 3.7Å; Y60-W196 HydrophobicContact CD1-CG 4.48Å; Y60-W196 HydrophobicContact CD2-CB 4.48Å; Y60-W196 HydrophobicContact CE1-CB 4.06Å; Y60-W196 HydrophobicContact CE2-CB 4.15Å; Y60-W196 AromaticContact CG-CD1 3.71Å; Y60-R199 HydrophobicContact CD2-CB 3.92Å; Y60-R199 HydrophobicContact CE2-CB 4.04Å; Y60-R199 HydrophobicContact CE2-CG 4.3Å; Y60-V200 HydrophobicContact CD2-CG2 4.5Å; Y60-V200 HydrophobicContact CG-CG2 4.48Å
61P97.1Very high96Very high19 Ų1915 Ų1512%0.1238%0.084CC..THydrogen-bonded Turntrans-52.8144172.9-27.335000111.4S63 P143 L144 I182P61-S63 VanDerWaalsContact C-N 3.33Å; P61-P143 HydrophobicContact CG-CB 4.01Å; P61-L144 HydrophobicContact CG-CD2 4.06Å; P61-L144 HydrophobicContact CG-CG 4.3Å; P61-I182 HydrophobicContact CB-CD1 3.94Å; P61-I182 HydrophobicContact CB-CG1 4.34Å; P61-I182 HydrophobicContact CG-CD1 3.71Å; P61-I182 HydrophobicContact CG-CG1 4.07Å
62R97.1Very high97.1Very high19 Ų1910.7 Ų10.77%0.0726%0.056CC..THydrogen-bonded Turntrans76.27.8-176.5-35.9-51-63.3149.63.2116Y60 G64 R166 V171 S174 L175 S264Y60-R62 PolarHBondContact O-N 2.95Å; R62-G64 VanDerWaalsContact C-N 3.32Å; R62-G64 PolarHBondContact O-N 2.99Å; R62-R166 WeakPolarHBondContact O-CD 3.43Å; R62-R166 PolarHBondContact O-NH1 2.97Å; R62-V171 HydrophobicContact CB-CG1 4.33Å; R62-S174 PolarHBondContact NE-OG 3.43Å; R62-L175 HydrophobicContact CG-CD2 3.38Å; R62-L175 HydrophobicContact CG-CG 3.68Å; R62-S264 PolarHBondContact NH1-OG 3.04Å
63S98.4Very high97.6Very high0 Ų08.2 Ų8.20%05%0.045CC..SBendtrans-88.120.3173.1-54.80000114.9Y60 P61Y60-S63 VanDerWaalsContact O-CB 3.29Å; Y60-S63 WeakPolarHBondContact O-CB 3.33Å; Y60-S63 PolarHBondContact O-N 3.29Å; Y60-S63 PolarHBondContact O-OG 3.26Å; P61-S63 VanDerWaalsContact C-N 3.33Å
64G97.8Very high97.6Very high13 Ų137.1 Ų7.113%0.1344%0.041CC..SBendtrans82.810.2179.900000115.8R62 T66 L67 M68R62-G64 VanDerWaalsContact C-N 3.32Å; R62-G64 PolarHBondContact O-N 2.99Å; G64-T66 PolarHBondContact O-N 2.87Å; G64-L67 WeakPolarHBondContact O-CB 3.35Å; G64-L67 PolarHBondContact O-N 3.19Å; G64-M68 PolarHBondContact O-N 3.38Å
65T98.2Very high97.6Very high4 Ų46.7 Ų6.73%0.0254%0.039CC..Hα-helixtrans-54.8-36.1177.755.30000114R69 P143 M164T65-R69 PolarHBondContact O-N 2.91Å; T65-R69 VanDerWaalsContact O-N 3.07Å; T65-P143 HydrophobicContact CG2-CB 4.44Å; T65-P143 HydrophobicContact CG2-CG 4.44Å; T65-M164 HydrophobicContact CG2-CB 3.81Å; T65-M164 HydrophobicContact CG2-CG 4.04Å
66T97.4Very high97.4Very high3 Ų311.1 Ų11.12%0.0187%0.068CC..Hα-helixtrans-75.8-33.4179.1-43.30000111.9G64 R69 V70 K141 S264 V268G64-T66 PolarHBondContact O-N 2.87Å; T66-R69 WeakPolarHBondContact O-CG 3.31Å; T66-V70 WeakPolarHBondContact O-CB 3.39Å; T66-V70 WeakPolarHBondContact O-CG2 3.42Å; T66-V70 PolarHBondContact O-N 2.98Å; T66-V70 VanDerWaalsContact O-N 3.16Å; T66-K141 PolarHBondContact OG1-NZ 2.87Å; T66-S264 PolarHBondContact OG1-OG 3.39Å; T66-V268 HydrophobicContact CG2-CG1 4.07Å; T66-V268 HydrophobicContact CG2-CG2 4.39Å
67L97.8Very high97.3Very high21 Ų2114.2 Ų14.211%0.118%0.083CC..Hα-helixtrans-64.6-52171.7177.262.1000109.2G64 R69 V70 L71 Y220 L223 V224 V268 I272G64-L67 WeakPolarHBondContact O-CB 3.35Å; G64-L67 PolarHBondContact O-N 3.19Å; L67-R69 PolarHBondContact O-N 2.81Å; L67-V70 WeakPolarHBondContact O-CB 3.42Å; L67-V70 PolarHBondContact O-N 3.32Å; L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CD2 4.15Å; L67-L71 HydrophobicContact CD1-CG 4.04Å; L67-L71 HydrophobicContact CG-CD1 3.9Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 2.88Å; L67-Y220 HydrophobicContact CD2-CE2 4.33Å; L67-L223 HydrophobicContact CD2-CD2 4.26Å; L67-V224 HydrophobicContact CD2-CG1 4.03Å; L67-V268 HydrophobicContact CB-CG1 4.36Å; L67-I272 HydrophobicContact CD1-CG1 4.5Å
68M98.5Very high97.2Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-52-50.7178.9178.554.778.100112.5I57 G64 V70 L71 L72 V162 M164 I218 L223 L231 L234I57-M68 HydrophobicContact CD1-CG 4.06Å; I57-M68 HydrophobicContact CG1-CG 4.43Å; I57-M68 HydrophobicContact CG2-CB 4.35Å; I57-M68 HydrophobicContact CG2-CG 4.1Å; G64-M68 PolarHBondContact O-N 3.38Å; M68-V70 VanDerWaalsContact C-N 3.28Å; M68-V70 PolarHBondContact O-N 3.08Å; M68-L71 PolarHBondContact O-N 3.33Å; M68-L72 PolarHBondContact O-N 3.39Å; M68-L72 VanDerWaalsContact O-N 3.11Å; M68-L72 HydrophobicContact SD-CG 4.45Å; M68-V162 HydrophobicContact CE-CG1 4.23Å; M68-V162 HydrophobicContact CG-CG1 4.03Å; M68-V162 HydrophobicContact SD-CG1 4.37Å; M68-M164 HydrophobicContact CB-CE 4.39Å; M68-M164 HydrophobicContact CB-CG 4.05Å; M68-M164 HydrophobicContact CB-SD 3.75Å; M68-M164 HydrophobicContact CE-CE 4.17Å; M68-M164 HydrophobicContact CE-SD 3.48Å; M68-M164 WeakPolarHBondContact CE-SD 3.4Å; M68-M164 HydrophobicContact CG-CG 4.33Å; M68-M164 HydrophobicContact CG-SD 3.8Å; M68-I218 HydrophobicContact CE-CB 4.32Å; M68-I218 HydrophobicContact CE-CD1 3.56Å; M68-I218 HydrophobicContact CE-CG2 3.94Å; M68-L223 HydrophobicContact CE-CD1 4.29Å; M68-L223 HydrophobicContact CE-CD2 3.94Å; M68-L231 HydrophobicContact SD-CD2 4.47Å; M68-L234 HydrophobicContact CE-CD2 3.76Å; M68-L234 HydrophobicContact SD-CD2 3.37Å; M68-L234 WeakPolarHBondContact SD-CD2 3.4Å
69R97.6Very high97.1Very high1 Ų115.7 Ų15.70%0.0049%0.089CC..Hα-helixtrans-64-34.7179.778.183.8-179.2173.7-5.7112.6I57 T65 T66 L67 L72 D73 C80 G81 K141 S257 L258I57-R69 VanDerWaalsContact CD1-CA 3.41Å; I57-R69 HydrophobicContact CD1-CB 3.44Å; I57-R69 VanDerWaalsContact CD1-CB 3.44Å; T65-R69 PolarHBondContact O-N 2.91Å; T65-R69 VanDerWaalsContact O-N 3.07Å; T66-R69 WeakPolarHBondContact O-CG 3.31Å; L67-R69 PolarHBondContact O-N 2.81Å; R69-L72 PolarHBondContact O-N 3.21Å; R69-D73 IonicContact NH1-OD2 2.94Å; R69-D73 PolarHBondContact NH1-OD2 3.41Å; R69-D73 VanDerWaalsContact O-CB 3.31Å; R69-D73 WeakPolarHBondContact O-CB 3.25Å; R69-D73 PolarHBondContact O-N 3.36Å; R69-C80 HydrophobicContact CB-CB 4.07Å; R69-C80 PolarHBondContact O-SG 3.23Å; R69-G81 WeakPolarHBondContact CD-O 3.11Å; R69-G81 PolarHBondContact NE-O 3.04Å; R69-K141 HydrophobicContact CB-CB 3.72Å; R69-K141 HydrophobicContact CB-CG 3.95Å; R69-K141 HydrophobicContact CG-CB 3.89Å; R69-K141 HydrophobicContact CG-CD 4.46Å; R69-K141 HydrophobicContact CG-CG 3.94Å; R69-S257 PolarHBondContact NH1-O 2.77Å; R69-S257 PolarHBondContact NH2-O 3.1Å; R69-L258 VanDerWaalsContact NH2-CD2 3.29Å
70V96.8Very high97Very high2 Ų215.9 Ų15.91%0.0129%0.09CC..Hα-helixtrans-68.1-42.3178.8160.80000110.4T66 L67 M68 L72 D73 V74 H249 M253 L258 V268T66-V70 WeakPolarHBondContact O-CB 3.39Å; T66-V70 WeakPolarHBondContact O-CG2 3.42Å; T66-V70 PolarHBondContact O-N 2.98Å; T66-V70 VanDerWaalsContact O-N 3.16Å; L67-V70 WeakPolarHBondContact O-CB 3.42Å; L67-V70 PolarHBondContact O-N 3.32Å; M68-V70 VanDerWaalsContact C-N 3.28Å; M68-V70 PolarHBondContact O-N 3.08Å; V70-L72 PolarHBondContact O-N 3.4Å; V70-D73 PolarHBondContact O-N 3.16Å; V70-V74 PolarHBondContact O-N 3.48Å; V70-H249 HydrophobicContact CG1-CB 3.99Å; V70-H249 WeakPolarHBondContact CG1-CD2 3.47Å; V70-M253 HydrophobicContact CG1-CG 4.02Å; V70-M253 HydrophobicContact CG1-SD 3.33Å; V70-M253 WeakPolarHBondContact CG1-SD 3.35Å; V70-M253 HydrophobicContact CG2-SD 4.36Å; V70-L258 HydrophobicContact CG2-CD2 3.82Å; V70-V268 HydrophobicContact CG2-CB 4.34Å; V70-V268 HydrophobicContact CG2-CG2 4.22Å
71L97.4Very high96.8Very high0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-61.3-35.1175.9-60.7171.8000111.4L67 M68 V74 L223 L231 V246 H249 I272L67-L71 HydrophobicContact CD1-CD1 4.14Å; L67-L71 HydrophobicContact CD1-CD2 4.15Å; L67-L71 HydrophobicContact CD1-CG 4.04Å; L67-L71 HydrophobicContact CG-CD1 3.9Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 2.88Å; M68-L71 PolarHBondContact O-N 3.33Å; L71-V74 VanDerWaalsContact O-CG2 3.27Å; L71-V74 WeakPolarHBondContact O-CG2 3.3Å; L71-L223 HydrophobicContact CD1-CD1 4.04Å; L71-L223 HydrophobicContact CD1-CD2 4.16Å; L71-L223 HydrophobicContact CD1-CG 4.44Å; L71-L231 HydrophobicContact CB-CD2 4.44Å; L71-L231 HydrophobicContact CD1-CD1 4.17Å; L71-L231 HydrophobicContact CD1-CD2 4.19Å; L71-V246 WeakPolarHBondContact CD2-O 3.13Å; L71-V246 WeakPolarHBondContact O-CB 3.3Å; L71-V246 VanDerWaalsContact O-CG1 3.31Å; L71-V246 WeakPolarHBondContact O-CG1 3.25Å; L71-H249 HydrophobicContact CD2-CB 4.14Å; L71-H249 WeakPolarHBondContact CD2-ND1 3.42Å; L71-I272 HydrophobicContact CD1-CD1 4.11Å; L71-I272 HydrophobicContact CD2-CD1 3.83Å; L71-I272 HydrophobicContact CD2-CG1 4.16Å
72L97.3Very high96.6Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-74.8-42.3171.6-62.3-166.5000112.8V55 I57 M68 R69 V70 V74 H75 I78 L234 F235 L238V55-L72 HydrophobicContact CG1-CD1 4.38Å; I57-L72 HydrophobicContact CD1-CD1 3.93Å; M68-L72 PolarHBondContact O-N 3.39Å; M68-L72 VanDerWaalsContact O-N 3.11Å; M68-L72 HydrophobicContact SD-CG 4.45Å; R69-L72 PolarHBondContact O-N 3.21Å; V70-L72 PolarHBondContact O-N 3.4Å; L72-V74 PolarHBondContact O-N 3.16Å; L72-V74 VanDerWaalsContact O-N 3.14Å; L72-H75 WeakPolarHBondContact O-CB 3.36Å; L72-H75 PolarHBondContact O-N 2.92Å; L72-I78 HydrophobicContact CB-CD1 4.16Å; L72-I78 HydrophobicContact CB-CG2 4.13Å; L72-I78 HydrophobicContact CD2-CD1 4.2Å; L72-I78 WeakPolarHBondContact O-CB 3.16Å; L72-L234 HydrophobicContact CD2-CD2 3.96Å; L72-F235 HydrophobicContact CD2-CE2 3.81Å; L72-F235 HydrophobicContact CD2-CZ 3.74Å; L72-L238 HydrophobicContact CD1-CD1 4.03Å; L72-L238 HydrophobicContact CD2-CD1 4.23Å
73D95.4Very high96.6Very high25 Ų2518.8 Ų18.813%0.13411%0.11CC..Hα-helixtrans-59.4-25.4-176-130.6-1.5000113.7R69 V70 H75 R79 C80 G81R69-D73 IonicContact NH1-OD2 2.94Å; R69-D73 PolarHBondContact NH1-OD2 3.41Å; R69-D73 VanDerWaalsContact O-CB 3.31Å; R69-D73 WeakPolarHBondContact O-CB 3.25Å; R69-D73 PolarHBondContact O-N 3.36Å; V70-D73 PolarHBondContact O-N 3.16Å; D73-H75 VanDerWaalsContact C-N 3.32Å; D73-R79 WeakPolarHBondContact OD1-CA 3.5Å; D73-C80 HydrophobicContact CB-CB 4.46Å; D73-C80 PolarHBondContact OD1-N 3.33Å; D73-G81 PolarHBondContact OD1-N 3.35Å; D73-G81 PolarHBondContact OD2-N 3.13Å; D73-G81 VanDerWaalsContact OD2-N 3.07Å
74V95.7Very high96.4Very high24 Ų2420.4 Ų20.415%0.14512%0.119CC..THydrogen-bonded Turntrans-84.5-8.8178.8-62.60000113V70 L71 L72 I245 V246 H249 V252 M253V70-V74 PolarHBondContact O-N 3.48Å; L71-V74 VanDerWaalsContact O-CG2 3.27Å; L71-V74 WeakPolarHBondContact O-CG2 3.3Å; L72-V74 PolarHBondContact O-N 3.16Å; L72-V74 VanDerWaalsContact O-N 3.14Å; V74-I245 WeakPolarHBondContact O-CG2 3.38Å; V74-V246 HydrophobicContact CG2-CG1 4.45Å; V74-H249 HydrophobicContact CB-CB 4.46Å; V74-H249 HydrophobicContact CG1-CB 3.85Å; V74-H249 HydrophobicContact CG2-CB 3.87Å; V74-V252 HydrophobicContact CB-CG2 3.65Å; V74-V252 HydrophobicContact CG1-CG2 3.64Å; V74-M253 HydrophobicContact CG1-CG 4.02Å
75H96.8Very high96.3Very high8 Ų827.6 Ų27.64%0.03714%0.143CC..SBendtrans-73.2134.9175.5-171.8-86.1000110.2L72 D73 M77 I78 F235 P241 D243 V246L72-H75 WeakPolarHBondContact O-CB 3.36Å; L72-H75 PolarHBondContact O-N 2.92Å; D73-H75 VanDerWaalsContact C-N 3.32Å; H75-M77 PolarHBondContact ND1-N 3.31Å; H75-M77 VanDerWaalsContact ND1-N 3.17Å; H75-M77 PolarHBondContact O-N 2.82Å; H75-I78 HydrophobicContact CB-CB 4.33Å; H75-I78 HydrophobicContact CB-CD1 4.01Å; H75-I78 HydrophobicContact CB-CG1 4.14Å; H75-I78 PolarHBondContact O-N 3.33Å; H75-F235 HydrophobicContact CB-CE1 4.28Å; H75-F235 HydrophobicContact CB-CZ 4.1Å; H75-F235 AromaticContact CD2-CE1 3.3Å; H75-F235 WeakPolarHBondContact CD2-CE1 3.38Å; H75-F235 AromaticContact CD2-CZ 3.63Å; H75-F235 AromaticContact CG-CE1 3.67Å; H75-F235 AromaticContact CG-CZ 3.94Å; H75-F235 AromaticContact NE2-CE1 3.69Å; H75-P241 PolarHBondContact NE2-O 3.1Å; H75-D243 VanDerWaalsContact CD2-CB 3.49Å; H75-D243 WeakPolarHBondContact CD2-CB 3.36Å; H75-D243 WeakPolarHBondContact NE2-CB 3.29Å; H75-V246 HydrophobicContact CB-CG1 4.05Å
76P95.1Very high96.2Very high94 Ų9430.2 Ų30.261%0.6116%0.158SC*.THydrogen-bonded Turntrans-58.5-20-174.2-26.334.6000115.6D243P76-D243 WeakPolarHBondContact CD-OD2 3.26Å; P76-D243 WeakPolarHBondContact CG-OD2 3.38Å
77M96.2Very high96.2Very high64 Ų6430 Ų3032%0.31516%0.157SC..THydrogen-bonded Turntrans-99.7-8.8-178.3-60.2179.864.300114.8H75 P136 V137 I240 P241H75-M77 PolarHBondContact ND1-N 3.31Å; H75-M77 VanDerWaalsContact ND1-N 3.17Å; H75-M77 PolarHBondContact O-N 2.82Å; M77-P136 HydrophobicContact CB-CB 4.27Å; M77-P136 HydrophobicContact CB-CG 4.29Å; M77-P136 HydrophobicContact CE-CB 4.1Å; M77-P136 WeakPolarHBondContact O-CD 3.06Å; M77-V137 PolarHBondContact O-N 2.92Å; M77-I240 HydrophobicContact SD-CG2 4.23Å; M77-P241 HydrophobicContact SD-CG 4.22Å
78I96.6Very high96.1Very high6 Ų629.8 Ų29.83%0.03116%0.157CC..EExtended strand (participates in β ladder)trans-120.6136-168.8-51.2173.7000110.5L72 H75 V137 C139 F235 I240L72-I78 HydrophobicContact CB-CD1 4.16Å; L72-I78 HydrophobicContact CB-CG2 4.13Å; L72-I78 HydrophobicContact CD2-CD1 4.2Å; L72-I78 WeakPolarHBondContact O-CB 3.16Å; H75-I78 HydrophobicContact CB-CB 4.33Å; H75-I78 HydrophobicContact CB-CD1 4.01Å; H75-I78 HydrophobicContact CB-CG1 4.14Å; H75-I78 PolarHBondContact O-N 3.33Å; I78-V137 WeakPolarHBondContact CA-O 2.91Å; I78-V137 HydrophobicContact CG1-CB 4.11Å; I78-V137 HydrophobicContact CG1-CG1 4.45Å; I78-V137 HydrophobicContact CG2-CG1 4.48Å; I78-C139 HydrophobicContact CG2-CB 3.97Å; I78-F235 HydrophobicContact CD1-CE1 3.8Å; I78-F235 HydrophobicContact CD1-CZ 4.04Å; I78-I240 HydrophobicContact CD1-CD1 3.61Å; I78-I240 HydrophobicContact CD1-CG2 4.47Å; I78-I240 HydrophobicContact CG1-CD1 3.9Å
79R95.8Very high96Very high25 Ų2536.7 Ų36.79%0.09419%0.187CC..EExtended strand (participates in β ladder)trans-129.4115.1168.4-173.2-83-60.9152.3-11.1111.5D73 I128 K129 E133 A135 V137 C139D73-R79 WeakPolarHBondContact OD1-CA 3.5Å; R79-I128 PolarHBondContact NH1-O 2.8Å; R79-I128 PolarHBondContact NH2-O 2.94Å; R79-K129 PolarHBondContact NH2-O 3.23Å; R79-E133 PolarHBondContact NE-O 3.31Å; R79-E133 PolarHBondContact NH2-O 3.07Å; R79-A135 HydrophobicContact CB-CB 3.65Å; R79-V137 PolarHBondContact N-O 3.48Å; R79-C139 PolarHBondContact O-N 2.97Å
80C95.9Very high96Very high4 Ų437.9 Ų37.93%0.02719%0.193CC..  trans-95.4-60.7173.6-64.70000112.1R69 D73 C139R69-C80 HydrophobicContact CB-CB 4.07Å; R69-C80 PolarHBondContact O-SG 3.23Å; D73-C80 HydrophobicContact CB-CB 4.46Å; D73-C80 PolarHBondContact OD1-N 3.33Å; C80-C139 WeakPolarHBondContact CA-O 3.4Å; C80-C139 HydrophobicContact CB-CB 3.69Å; C80-C139 WeakPolarHBondContact CB-SG 3.44Å; C80-C139 WeakPolarHBondContact SG-CB 3.39Å; C80-C139 CovalentContact SG-SG 2.03Å; C80-C139 PolarHBondContact SG-SG 3.23Å
81G93.6Very high96.1Very high9 Ų937.8 Ų37.89%0.09319%0.193CC..  trans74.7-173.6-169.800000114.9R69 D73R69-G81 WeakPolarHBondContact CD-O 3.11Å; R69-G81 PolarHBondContact NE-O 3.04Å; D73-G81 PolarHBondContact OD1-N 3.35Å; D73-G81 PolarHBondContact OD2-N 3.13Å; D73-G81 VanDerWaalsContact OD2-N 3.07Å
82P94.1Very high96Very high47 Ų4741.3 Ų41.331%0.30521%0.212SC..SBendtrans-73173.5179.830.8-35.4000113.4T84 E262P82-T84 PolarHBondContact O-N 2.93Å; P82-E262 VanDerWaalsContact CA-OE1 3.29Å; P82-E262 WeakPolarHBondContact CA-OE1 3.43Å; P82-E262 WeakPolarHBondContact CB-OE1 3.49Å
83E95.5Very high95.9Very high45 Ų4544.6 Ų44.621%0.2123%0.229CC..  trans-60.4129.2173.9-63.1-174173.500111.2R85 K141 P143 E262E83-R85 HydrophobicContact CB-CG 4.1Å; E83-R85 IonicContact OE2-NH1 3.1Å; E83-K141 WeakPolarHBondContact CA-O 3.38Å; E83-K141 VanDerWaalsContact CD-NZ 3.32Å; E83-K141 HydrophobicContact CG-CD 4.15Å; E83-K141 VanDerWaalsContact CG-CE 3.46Å; E83-K141 WeakPolarHBondContact CG-O 3.38Å; E83-K141 IonicContact OE1-NZ 3.36Å; E83-K141 PolarHBondContact OE1-NZ 3.43Å; E83-P143 WeakPolarHBondContact OE1-CD 3.33Å; E83-E262 HydrophobicContact CG-CG 4.44Å; E83-E262 PolarHBondContact N-OE1 3.43Å
84T95.5Very high95.9Very high33 Ų3344.5 Ų44.520%0.20223%0.226CC..  trans-75.3-29.9177.770.80000111.6P82 V86 I87 N140 D142P82-T84 PolarHBondContact O-N 2.93Å; T84-V86 PolarHBondContact O-N 2.82Å; T84-I87 HydrophobicContact CG2-CD1 3.94Å; T84-I87 WeakPolarHBondContact OG1-CB 3.21Å; T84-I87 WeakPolarHBondContact OG1-CG1 3.31Å; T84-I87 PolarHBondContact OG1-N 3.29Å; T84-N140 WeakPolarHBondContact CG2-ND2 3.47Å; T84-D142 WeakPolarHBondContact CB-OD2 3.22Å; T84-D142 PolarHBondContact N-OD1 3.37Å; T84-D142 PolarHBondContact N-OD2 3.36Å; T84-D142 VanDerWaalsContact N-OD2 3.08Å; T84-D142 PolarHBondContact OG1-OD2 2.97Å
85R94.5Very high95.9Very high165 Ų16544.1 Ų44.162%0.62323%0.228SC*.SBendtrans61.8-18.9-176.7-49.1179.260.171.2-2.8115.3E83 K89 D142E83-R85 HydrophobicContact CB-CG 4.1Å; E83-R85 IonicContact OE2-NH1 3.1Å; R85-K89 WeakPolarHBondContact O-CG 3.49Å; R85-D142 WeakPolarHBondContact CA-OD1 3.35Å; R85-D142 PolarHBondContact N-OD1 3.41Å
86V96.4Very high95.8Very high58 Ų5849.9 Ų49.935%0.35226%0.255SS..SBendtrans-88.7-32.4179.1-68.20000112T84 K89 I90 L127T84-V86 PolarHBondContact O-N 2.82Å; V86-K89 WeakPolarHBondContact O-CB 3.34Å; V86-K89 PolarHBondContact O-N 3.36Å; V86-I90 PolarHBondContact O-N 3.45Å; V86-I90 VanDerWaalsContact O-N 3.08Å; V86-L127 HydrophobicContact CB-CD1 4.48Å; V86-L127 HydrophobicContact CG2-CD1 3.55Å; V86-L127 HydrophobicContact CG2-CD2 4.23Å; V86-L127 HydrophobicContact CG2-CG 4.49Å
87I97.6Very high95.8Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-58.9-49.1178.4-72.5169.6000111.7T84 K89 I90 L91 I124 L127 I128T84-I87 HydrophobicContact CG2-CD1 3.94Å; T84-I87 WeakPolarHBondContact OG1-CB 3.21Å; T84-I87 WeakPolarHBondContact OG1-CG1 3.31Å; T84-I87 PolarHBondContact OG1-N 3.29Å; I87-K89 PolarHBondContact O-N 2.93Å; I87-K89 VanDerWaalsContact O-N 3.17Å; I87-I90 WeakPolarHBondContact O-CG2 3.48Å; I87-I90 PolarHBondContact O-N 3Å; I87-L91 HydrophobicContact CG2-CD1 3.76Å; I87-L91 HydrophobicContact CG2-CG 4.34Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.34Å; I87-L91 PolarHBondContact O-N 3.08Å; I87-I124 HydrophobicContact CD1-CG2 4.1Å; I87-I124 HydrophobicContact CG1-CG1 4.46Å; I87-I124 HydrophobicContact CG1-CG2 4.34Å; I87-I124 HydrophobicContact CG2-CD1 4.47Å; I87-L127 HydrophobicContact CG1-CD1 3.96Å; I87-I128 HydrophobicContact CD1-CD1 4.36Å; I87-I128 HydrophobicContact CD1-CG1 3.89Å
88P96.7Very high95.6Very high16 Ų1647.4 Ų47.410%0.10424%0.235CC..Hα-helixtrans-60.4-28.6175.2-26.436000113.8N92 D142P88-N92 WeakPolarHBondContact O-CB 3.41Å; P88-N92 PolarHBondContact O-N 3.48Å; P88-N92 PolarHBondContact O-ND2 3.29Å; P88-D142 HydrophobicContact CG-CB 3.61Å
89K96.6Very high95.4Very high144 Ų14454.3 Ų54.363%0.62627%0.265SS*.Hα-helixtrans-72.4-45179.2-63.8177.9-175.6177.30111.5R85 V86 I87 L91 N92 L93R85-K89 WeakPolarHBondContact O-CG 3.49Å; V86-K89 WeakPolarHBondContact O-CB 3.34Å; V86-K89 PolarHBondContact O-N 3.36Å; I87-K89 PolarHBondContact O-N 2.93Å; I87-K89 VanDerWaalsContact O-N 3.17Å; K89-L91 VanDerWaalsContact C-N 3.34Å; K89-N92 PolarHBondContact O-N 2.89Å; K89-L93 WeakPolarHBondContact O-CB 3.34Å; K89-L93 PolarHBondContact O-N 2.92Å
90I97.1Very high95.4Very high27 Ų2755.7 Ų55.714%0.13829%0.287CS..Hα-helixtrans-66.6-38176.7-175.360.1000111.2V86 I87 N92 L93 R94 W97 V120 F123 I124V86-I90 PolarHBondContact O-N 3.45Å; V86-I90 VanDerWaalsContact O-N 3.08Å; I87-I90 WeakPolarHBondContact O-CG2 3.48Å; I87-I90 PolarHBondContact O-N 3Å; I90-N92 PolarHBondContact O-N 3.48Å; I90-L93 HydrophobicContact CD1-CD2 4.26Å; I90-L93 PolarHBondContact O-N 3.04Å; I90-R94 WeakPolarHBondContact O-CB 3.41Å; I90-R94 PolarHBondContact O-N 2.85Å; I90-W97 HydrophobicContact CD1-CH2 4.35Å; I90-V120 HydrophobicContact CG1-CG1 4.41Å; I90-F123 HydrophobicContact CB-CD1 4.37Å; I90-F123 HydrophobicContact CB-CE1 4.24Å; I90-F123 HydrophobicContact CG1-CD1 4.15Å; I90-F123 HydrophobicContact CG1-CE1 4.39Å; I90-F123 HydrophobicContact CG2-CD1 4.11Å; I90-F123 HydrophobicContact CG2-CE1 4.15Å; I90-I124 HydrophobicContact CG2-CD1 4.41Å; I90-I124 HydrophobicContact CG2-CG1 4.12Å
91L97.7Very high95.3Very high0 Ų063.1 Ų63.10%032%0.319CS..Hα-helixtrans-62.1-44.3174.3-68.6169.3000111.8I87 K89 L93 R94 G95 I124 H148 Y151 L152I87-L91 HydrophobicContact CG2-CD1 3.76Å; I87-L91 HydrophobicContact CG2-CG 4.34Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.34Å; I87-L91 PolarHBondContact O-N 3.08Å; K89-L91 VanDerWaalsContact C-N 3.34Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.17Å; L91-R94 PolarHBondContact O-N 3.02Å; L91-G95 PolarHBondContact O-N 2.92Å; L91-I124 HydrophobicContact CD2-CD1 3.82Å; L91-I124 HydrophobicContact CG-CD1 4.24Å; L91-H148 HydrophobicContact CB-CB 4.24Å; L91-H148 HydrophobicContact CD1-CB 4.39Å; L91-H148 HydrophobicContact CD2-CB 4.36Å; L91-Y151 HydrophobicContact CD2-CD1 3.84Å; L91-Y151 HydrophobicContact CD2-CE1 3.93Å; L91-L152 HydrophobicContact CD1-CD1 4.01Å; L91-L152 HydrophobicContact CD1-CD2 4.07Å; L91-L152 HydrophobicContact CD1-CG 4.15Å; L91-L152 HydrophobicContact CD2-CD2 3.8Å; L91-L152 HydrophobicContact CD2-CG 4.1Å
92N95.6Very high95.4Very high74 Ų7466.6 Ų66.640%0.39633%0.333SS..Hα-helixtrans-61.3-41.9174.2-77.5-36.6000112.4P88 K89 I90 G95 Q96 H148P88-N92 WeakPolarHBondContact O-CB 3.41Å; P88-N92 PolarHBondContact O-N 3.48Å; P88-N92 PolarHBondContact O-ND2 3.29Å; K89-N92 PolarHBondContact O-N 2.89Å; I90-N92 PolarHBondContact O-N 3.48Å; N92-G95 PolarHBondContact O-N 3.32Å; N92-Q96 PolarHBondContact O-N 3.38Å; N92-H148 PolarHBondContact OD1-NE2 3.04Å
93L95.6Very high95.4Very high69 Ų6964.7 Ų64.736%0.36132%0.321SS..Hα-helixtrans-64.2-46.3177.4-178.361.4000111.2K89 I90 L91 G95 Q96 W97K89-L93 WeakPolarHBondContact O-CB 3.34Å; K89-L93 PolarHBondContact O-N 2.92Å; I90-L93 HydrophobicContact CD1-CD2 4.26Å; I90-L93 PolarHBondContact O-N 3.04Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.17Å; L93-G95 VanDerWaalsContact C-N 3.27Å; L93-G95 PolarHBondContact O-N 2.84Å; L93-Q96 WeakPolarHBondContact O-CB 3.42Å; L93-Q96 PolarHBondContact O-N 2.65Å; L93-W97 HydrophobicContact CD1-CZ2 4.11Å; L93-W97 HydrophobicContact CD2-CH2 3.95Å; L93-W97 HydrophobicContact CD2-CZ2 3.48Å; L93-W97 VanDerWaalsContact CD2-CZ2 3.48Å; L93-W97 HydrophobicContact CG-CH2 4.07Å; L93-W97 HydrophobicContact CG-CZ2 3.44Å; L93-W97 VanDerWaalsContact CG-CZ2 3.44Å; L93-W97 PolarHBondContact O-N 3.1Å
94R96.3Very high95.5Very high22 Ų2268.7 Ų68.78%0.08334%0.339CS..Hα-helixtrans-57-42.8173.6-171.1-82.2179.7-172.57.1111.4I90 L91 Q96 W97 S98 Y112 V116 D117 V120 Y151I90-R94 WeakPolarHBondContact O-CB 3.41Å; I90-R94 PolarHBondContact O-N 2.85Å; L91-R94 PolarHBondContact O-N 3.02Å; R94-Q96 PolarHBondContact O-N 3.36Å; R94-Q96 VanDerWaalsContact O-N 3.16Å; R94-W97 HydrophobicContact CB-CE3 4.19Å; R94-W97 HydrophobicContact CG-CE3 4.27Å; R94-W97 WeakPolarHBondContact O-CB 3.48Å; R94-W97 PolarHBondContact O-N 2.95Å; R94-S98 PolarHBondContact O-N 3.33Å; R94-Y112 PolarHBondContact NH2-OH 3.37Å; R94-V116 HydrophobicContact CG-CG1 4.43Å; R94-D117 IonicContact CZ-OD1 2.72Å; R94-D117 IonicContact NE-OD1 3.35Å; R94-D117 PolarHBondContact NE-OD1 3.47Å; R94-D117 IonicContact NH2-OD1 3.61Å; R94-D117 PolarHBondContact NH2-OD1 3.18Å; R94-D117 IonicContact NH2-OD2 3.72Å; R94-D117 PolarHBondContact NH2-OD2 3.39Å; R94-D117 VanDerWaalsContact NH2-OD2 3.1Å; R94-V120 HydrophobicContact CB-CG2 4.24Å; R94-V120 HydrophobicContact CG-CG2 4.01Å; R94-Y151 HydrophobicContact CB-CE1 4.42Å; R94-Y151 HydrophobicContact CG-CE1 3.88Å; R94-Y151 WeakPolarHBondContact CG-OH 3.22Å; R94-Y151 PolarHBondContact NE-OH 2.86Å; R94-Y151 VanDerWaalsContact NE-OH 3.17Å
95G95.2Very high95.5Very high17 Ų1775.2 Ų75.218%0.17536%0.36CS..Hα-helixtrans-60.5-21.4176.800000114.6L91 N92 L93 S98L91-G95 PolarHBondContact O-N 2.92Å; N92-G95 PolarHBondContact O-N 3.32Å; L93-G95 VanDerWaalsContact C-N 3.27Å; L93-G95 PolarHBondContact O-N 2.84Å; G95-S98 PolarHBondContact O-OG 3.5Å
96Q94.3Very high95.6Very high129 Ų12968.6 Ų68.660%0.60334%0.337SS*.Hα-helixtrans-79.5-37.6172.1-63.7171.612.200111.5N92 L93 R94 S98 K99N92-Q96 PolarHBondContact O-N 3.38Å; L93-Q96 WeakPolarHBondContact O-CB 3.42Å; L93-Q96 PolarHBondContact O-N 2.65Å; R94-Q96 PolarHBondContact O-N 3.36Å; R94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-S98 PolarHBondContact O-N 3Å; Q96-K99 PolarHBondContact O-N 3.32Å
97W95.3Very high95.7Very high69 Ų6971.6 Ų71.626%0.26135%0.345SS..Hα-helixtrans-67.1-22178.2-57.8-24.7000113.8I90 L93 R94 K99 S103 L106 V116 V120I90-W97 HydrophobicContact CD1-CH2 4.35Å; L93-W97 HydrophobicContact CD1-CZ2 4.11Å; L93-W97 HydrophobicContact CD2-CH2 3.95Å; L93-W97 HydrophobicContact CD2-CZ2 3.48Å; L93-W97 VanDerWaalsContact CD2-CZ2 3.48Å; L93-W97 HydrophobicContact CG-CH2 4.07Å; L93-W97 HydrophobicContact CG-CZ2 3.44Å; L93-W97 VanDerWaalsContact CG-CZ2 3.44Å; L93-W97 PolarHBondContact O-N 3.1Å; R94-W97 HydrophobicContact CB-CE3 4.19Å; R94-W97 HydrophobicContact CG-CE3 4.27Å; R94-W97 WeakPolarHBondContact O-CB 3.48Å; R94-W97 PolarHBondContact O-N 2.95Å; W97-K99 PolarHBondContact O-N 3.24Å; W97-S103 VanDerWaalsContact O-CA 3.25Å; W97-S103 WeakPolarHBondContact O-CA 3.45Å; W97-S103 VanDerWaalsContact O-CB 3.3Å; W97-S103 WeakPolarHBondContact O-CB 3.31Å; W97-S103 PolarHBondContact O-N 3.46Å; W97-L106 HydrophobicContact CB-CD1 3.75Å; W97-L106 HydrophobicContact CG-CD1 4.22Å; W97-V116 HydrophobicContact CE3-CG1 3.79Å; W97-V116 HydrophobicContact CZ3-CG1 4.15Å; W97-V120 HydrophobicContact CZ3-CG2 4.23Å
98S92.3Very high95.6Very high36 Ų3676.2 Ų76.225%0.25238%0.383SS..THydrogen-bonded Turntrans-78.70.1179.266.20000114.3R94 G95 Q96 Y112R94-S98 PolarHBondContact O-N 3.33Å; G95-S98 PolarHBondContact O-OG 3.5Å; Q96-S98 PolarHBondContact O-N 3Å; S98-Y112 WeakPolarHBondContact CB-OH 3.17Å
99K92.8Very high95.7Very high151 Ų15178.6 Ų78.666%0.65740%0.404SS*.SBendtrans-131.7154.8-173.4-58.4-178.6-174.6-179.70112.6Q96 W97 S103Q96-K99 PolarHBondContact O-N 3.32Å; W97-K99 PolarHBondContact O-N 3.24Å; K99-S103 PolarHBondContact O-N 3.16Å
100G94.5Very high95.7Very high54 Ų5474.8 Ų74.856%0.55741%0.406SS*.Hα-helixtrans59.6-155.1170.700000114.9E102 S103 E104G100-E102 PolarHBondContact O-N 3.25Å; G100-E102 VanDerWaalsContact O-N 3.16Å; G100-S103 WeakPolarHBondContact O-CB 3.4Å; G100-S103 PolarHBondContact O-N 3.4Å; G100-S103 VanDerWaalsContact O-N 3.13Å; G100-E104 PolarHBondContact O-N 3.3Å
101K95.2Very high95.7Very high161 Ų16177.4 Ų77.470%0.742%0.42SS*.Hα-helixtrans-58.5-28.2-176.5-66.6-174.7178.6-178.60113.7E104 R105K101-E104 PolarHBondContact O-N 3.04Å; K101-R105 VanDerWaalsContact O-CG 3.31Å; K101-R105 WeakPolarHBondContact O-CG 3.36Å; K101-R105 PolarHBondContact O-N 2.75Å
102E93.9Very high95.5Very high81 Ų8179.5 Ų79.538%0.37943%0.428SS..Hα-helixtrans-68.7-42.9179.1-167.660.7-166.600111.2G100 E104 R105 L106G100-E102 PolarHBondContact O-N 3.25Å; G100-E102 VanDerWaalsContact O-N 3.16Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.02Å; E102-R105 PolarHBondContact O-N 3.05Å; E102-L106 HydrophobicContact CG-CD1 4.35Å; E102-L106 WeakPolarHBondContact O-CG 3.16Å; E102-L106 PolarHBondContact O-N 2.73Å
103S95.2Very high95.5Very high8 Ų878.7 Ų78.76%0.05643%0.427CS..Hα-helixtrans-60.1-41.4173.6-170.10000111.8W97 K99 G100 L106 K107W97-S103 VanDerWaalsContact O-CA 3.25Å; W97-S103 WeakPolarHBondContact O-CA 3.45Å; W97-S103 VanDerWaalsContact O-CB 3.3Å; W97-S103 WeakPolarHBondContact O-CB 3.31Å; W97-S103 PolarHBondContact O-N 3.46Å; K99-S103 PolarHBondContact O-N 3.16Å; G100-S103 WeakPolarHBondContact O-CB 3.4Å; G100-S103 PolarHBondContact O-N 3.4Å; G100-S103 VanDerWaalsContact O-N 3.13Å; S103-L106 PolarHBondContact O-N 2.89Å; S103-K107 WeakPolarHBondContact O-CB 3.29Å; S103-K107 VanDerWaalsContact O-CG 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.38Å; S103-K107 PolarHBondContact O-N 2.93Å
104E96.5Very high95.5Very high128 Ų12881 Ų8160%0.59844%0.444SS*.Hα-helixtrans-62.9-43.5177.3-66170.8174.700112G100 K101 E102 K107 A108G100-E104 PolarHBondContact O-N 3.3Å; K101-E104 PolarHBondContact O-N 3.04Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.02Å; E104-K107 PolarHBondContact O-N 3.21Å; E104-A108 WeakPolarHBondContact O-CB 3.42Å; E104-A108 PolarHBondContact O-N 3.17Å
105R97Very high95.5Very high171 Ų17182.3 Ų82.365%0.64546%0.459SS*.Hα-helixtrans-62.9-45.3176.1-74.8172.1172.5-173.9-4.6112.2K101 E102 K107 A108 A109K101-R105 VanDerWaalsContact O-CG 3.31Å; K101-R105 WeakPolarHBondContact O-CG 3.36Å; K101-R105 PolarHBondContact O-N 2.75Å; E102-R105 PolarHBondContact O-N 3.05Å; R105-K107 VanDerWaalsContact C-N 3.33Å; R105-K107 PolarHBondContact O-N 3.49Å; R105-A108 PolarHBondContact O-N 3.24Å; R105-A109 WeakPolarHBondContact O-CB 3.4Å; R105-A109 PolarHBondContact O-N 2.86Å
106L96.7Very high95.6Very high26 Ų2682.3 Ų82.314%0.13646%0.456CS..Hα-helixtrans-65.9-35.8178.4-67.4167.8000112.1W97 E102 S103 A109 G110 L111 Y112 V116W97-L106 HydrophobicContact CB-CD1 3.75Å; W97-L106 HydrophobicContact CG-CD1 4.22Å; E102-L106 HydrophobicContact CG-CD1 4.35Å; E102-L106 WeakPolarHBondContact O-CG 3.16Å; E102-L106 PolarHBondContact O-N 2.73Å; S103-L106 PolarHBondContact O-N 2.89Å; L106-A109 PolarHBondContact O-N 2.79Å; L106-G110 PolarHBondContact O-N 2.89Å; L106-L111 HydrophobicContact CD2-CB 4.44Å; L106-L111 HydrophobicContact CD2-CD1 4.23Å; L106-L111 PolarHBondContact O-N 3.42Å; L106-Y112 HydrophobicContact CB-CG 4.45Å; L106-Y112 HydrophobicContact CD1-CD2 4.3Å; L106-Y112 PolarHBondContact O-N 3.38Å; L106-V116 HydrophobicContact CD1-CG2 4.45Å
107K96.8Very high95.8Very high121 Ų12176.9 Ų76.953%0.52643%0.431SS..Hα-helixtrans-65.6-46.1171.8-73.5173.1-174.9177.50111.6S103 E104 R105 A109 G110 Y112S103-K107 WeakPolarHBondContact O-CB 3.29Å; S103-K107 VanDerWaalsContact O-CG 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.38Å; S103-K107 PolarHBondContact O-N 2.93Å; E104-K107 PolarHBondContact O-N 3.21Å; R105-K107 VanDerWaalsContact C-N 3.33Å; R105-K107 PolarHBondContact O-N 3.49Å; K107-A109 PolarHBondContact O-N 3.34Å; K107-G110 PolarHBondContact O-N 2.62Å; K107-Y112 HydrophobicContact CG-CD1 4.09Å; K107-Y112 HydrophobicContact CG-CG 4.49Å
108A97.3Very high95.9Very high96 Ų9676.9 Ų76.979%0.79344%0.441SS*.Hα-helixtrans-62.3-30.8176.900000112.6E104 R105 G110E104-A108 WeakPolarHBondContact O-CB 3.42Å; E104-A108 PolarHBondContact O-N 3.17Å; R105-A108 PolarHBondContact O-N 3.24Å; A108-G110 VanDerWaalsContact C-N 3.28Å
109A97.6Very high96.1Very high66 Ų6678 Ų7855%0.54545%0.453SS..THydrogen-bonded Turntrans-80.1-2173.100000114.1R105 L106 K107 L111R105-A109 WeakPolarHBondContact O-CB 3.4Å; R105-A109 PolarHBondContact O-N 2.86Å; L106-A109 PolarHBondContact O-N 2.79Å; K107-A109 PolarHBondContact O-N 3.34Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 HydrophobicContact CB-CD1 4Å; A109-L111 HydrophobicContact CB-CG 4.04Å; A109-L111 PolarHBondContact O-N 3.08Å
110G96.8Very high96.4Very high65 Ų6571 Ų7167%0.6742%0.423SS*.THydrogen-bonded Turntrans70.717.9-178.200000114.8L106 K107 A108L106-G110 PolarHBondContact O-N 2.89Å; K107-G110 PolarHBondContact O-N 2.62Å; A108-G110 VanDerWaalsContact C-N 3.28Å
111L96.5Very high96.5Very high82 Ų8272.7 Ų72.743%0.42941%0.412SS..  trans-96.8-20.1-174.1-62.5175.2000113.5L106 A109 A115 V116L106-L111 HydrophobicContact CD2-CB 4.44Å; L106-L111 HydrophobicContact CD2-CD1 4.23Å; L106-L111 PolarHBondContact O-N 3.42Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 HydrophobicContact CB-CD1 4Å; A109-L111 HydrophobicContact CB-CG 4.04Å; A109-L111 PolarHBondContact O-N 3.08Å; L111-A115 HydrophobicContact CD2-CB 4.38Å; L111-A115 VanDerWaalsContact O-CB 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.25Å; L111-A115 PolarHBondContact O-N 2.93Å; L111-A115 VanDerWaalsContact O-N 3.16Å; L111-V116 HydrophobicContact CB-CG2 4.43Å; L111-V116 PolarHBondContact O-N 3.17Å; L111-V116 VanDerWaalsContact O-N 3.08Å
112Y95.1Very high96.6Very high43 Ų4368.3 Ų68.317%0.16940%0.402CS..THydrogen-bonded Turntrans-115.2139.5-170-167.9-85.3000113.1R94 S98 L106 K107 V116R94-Y112 PolarHBondContact NH2-OH 3.37Å; S98-Y112 WeakPolarHBondContact CB-OH 3.17Å; L106-Y112 HydrophobicContact CB-CG 4.45Å; L106-Y112 HydrophobicContact CD1-CD2 4.3Å; L106-Y112 PolarHBondContact O-N 3.38Å; K107-Y112 HydrophobicContact CG-CD1 4.09Å; K107-Y112 HydrophobicContact CG-CG 4.49Å; Y112-V116 HydrophobicContact CD2-CB 4.23Å; Y112-V116 HydrophobicContact CD2-CG1 4.41Å; Y112-V116 HydrophobicContact CD2-CG2 4.2Å
113P94.6Very high96.8Very high58 Ų5869.3 Ų69.338%0.37741%0.405SS..THydrogen-bonded Turncis-84.7-23.8-2.231.8-33.6000113.9A115 V116 D117P113-A115 PolarHBondContact O-N 2.64Å; P113-V116 PolarHBondContact O-N 2.97Å; P113-D117 WeakPolarHBondContact CB-OD2 3.49Å; P113-D117 WeakPolarHBondContact O-CB 3.26Å; P113-D117 PolarHBondContact O-N 3.37Å
114V95.9Very high96.9Very high118 Ų11868.9 Ų68.972%0.71540%0.402SS*.Hα-helixtrans-60.1-50.6-161.1-1790000113.9S118V114-S118 VanDerWaalsContact O-CB 3.31Å; V114-S118 WeakPolarHBondContact O-CB 3.47Å; V114-S118 PolarHBondContact O-N 2.84Å
115A96.9Very high96.9Very high49 Ų4964.6 Ų64.641%0.40539%0.386SS..Hα-helixtrans-70.3-39.9-17700000111.6L111 P113 A119L111-A115 HydrophobicContact CD2-CB 4.38Å; L111-A115 VanDerWaalsContact O-CB 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.25Å; L111-A115 PolarHBondContact O-N 2.93Å; L111-A115 VanDerWaalsContact O-N 3.16Å; P113-A115 PolarHBondContact O-N 2.64Å; A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.02Å
116V96.8Very high96.9Very high16 Ų1659.3 Ų59.310%0.09738%0.375CS..Hα-helixtrans-60.8-49.5175.2171.30000111.1R94 W97 L106 L111 Y112 P113 S118 A119 V120R94-V116 HydrophobicContact CG-CG1 4.43Å; W97-V116 HydrophobicContact CE3-CG1 3.79Å; W97-V116 HydrophobicContact CZ3-CG1 4.15Å; L106-V116 HydrophobicContact CD1-CG2 4.45Å; L111-V116 HydrophobicContact CB-CG2 4.43Å; L111-V116 PolarHBondContact O-N 3.17Å; L111-V116 VanDerWaalsContact O-N 3.08Å; Y112-V116 HydrophobicContact CD2-CB 4.23Å; Y112-V116 HydrophobicContact CD2-CG1 4.41Å; Y112-V116 HydrophobicContact CD2-CG2 4.2Å; P113-V116 PolarHBondContact O-N 2.97Å; V116-S118 PolarHBondContact O-N 2.92Å; V116-A119 PolarHBondContact O-N 3.25Å; V116-V120 HydrophobicContact CG1-CG2 4.47Å; V116-V120 WeakPolarHBondContact O-CG2 3.44Å; V116-V120 PolarHBondContact O-N 3.11Å
117D97.5Very high96.9Very high16 Ų1660.5 Ų60.59%0.08638%0.382CS..Hα-helixtrans-68-36.6-177.5-70.7-22.3000112R94 P113 V120 R121 Y151 I155R94-D117 IonicContact CZ-OD1 2.72Å; R94-D117 IonicContact NE-OD1 3.35Å; R94-D117 PolarHBondContact NE-OD1 3.47Å; R94-D117 IonicContact NH2-OD1 3.61Å; R94-D117 PolarHBondContact NH2-OD1 3.18Å; R94-D117 IonicContact NH2-OD2 3.72Å; R94-D117 PolarHBondContact NH2-OD2 3.39Å; R94-D117 VanDerWaalsContact NH2-OD2 3.1Å; P113-D117 WeakPolarHBondContact CB-OD2 3.49Å; P113-D117 WeakPolarHBondContact O-CB 3.26Å; P113-D117 PolarHBondContact O-N 3.37Å; D117-V120 PolarHBondContact O-N 2.89Å; D117-R121 VanDerWaalsContact O-CB 3.29Å; D117-R121 WeakPolarHBondContact O-CB 3.39Å; D117-R121 PolarHBondContact O-N 2.79Å; D117-Y151 WeakPolarHBondContact OD1-CE2 3.49Å; D117-Y151 PolarHBondContact OD1-OH 3.01Å; D117-I155 HydrophobicContact CB-CG2 3.93Å
118S97.4Very high96.9Very high68 Ų6854.8 Ų54.848%0.47636%0.357SS..Hα-helixtrans-61-43.3171-177.70000112.3V114 V116 S122V114-S118 VanDerWaalsContact O-CB 3.31Å; V114-S118 WeakPolarHBondContact O-CB 3.47Å; V114-S118 PolarHBondContact O-N 2.84Å; V116-S118 PolarHBondContact O-N 2.92Å; S118-S122 WeakPolarHBondContact O-CB 3.47Å; S118-S122 PolarHBondContact O-N 2.99Å; S118-S122 PolarHBondContact O-OG 3.04Å
119A97.6Very high96.8Very high60 Ų6056.3 Ų56.350%0.49635%0.346SS..Hα-helixtrans-66.2-44177.700000112.1A115 V116 S122 F123A115-A119 WeakPolarHBondContact O-CB 3.45Å; A115-A119 PolarHBondContact O-N 3.02Å; V116-A119 PolarHBondContact O-N 3.25Å; A119-S122 PolarHBondContact O-N 2.91Å; A119-F123 WeakPolarHBondContact O-CB 3.41Å; A119-F123 PolarHBondContact O-N 3.39Å
120V97.9Very high96.7Very high4 Ų459 Ų592%0.02435%0.351CS..Hα-helixtrans-64.8-44.4177.3174.60000111.1I90 R94 W97 V116 D117 S122 F123 I124 Y151 I155I90-V120 HydrophobicContact CG1-CG1 4.41Å; R94-V120 HydrophobicContact CB-CG2 4.24Å; R94-V120 HydrophobicContact CG-CG2 4.01Å; W97-V120 HydrophobicContact CZ3-CG2 4.23Å; V116-V120 HydrophobicContact CG1-CG2 4.47Å; V116-V120 WeakPolarHBondContact O-CG2 3.44Å; V116-V120 PolarHBondContact O-N 3.11Å; D117-V120 PolarHBondContact O-N 2.89Å; V120-S122 PolarHBondContact O-N 3.44Å; V120-F123 PolarHBondContact O-N 2.78Å; V120-I124 HydrophobicContact CG1-CD1 3.8Å; V120-I124 HydrophobicContact CG1-CG1 4.44Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 3.16Å; V120-Y151 HydrophobicContact CG1-CE1 4.15Å; V120-I155 HydrophobicContact CG1-CD1 4.04Å
121R97.7Very high96.4Very high90 Ų9058.5 Ų58.534%0.3434%0.34SS..Hα-helixtrans-56.7-50.6174.1-174.9-168.7173.5122.5-3.6110.9D117 F123 I124 S125 I155 F156D117-R121 VanDerWaalsContact O-CB 3.29Å; D117-R121 WeakPolarHBondContact O-CB 3.39Å; D117-R121 PolarHBondContact O-N 2.79Å; R121-F123 VanDerWaalsContact C-N 3.33Å; R121-F123 PolarHBondContact O-N 2.97Å; R121-I124 PolarHBondContact O-N 3.39Å; R121-S125 WeakPolarHBondContact O-CB 3.49Å; R121-S125 PolarHBondContact O-N 3.49Å; R121-S125 PolarHBondContact O-OG 2.87Å; R121-I155 HydrophobicContact CB-CB 4.38Å; R121-I155 HydrophobicContact CB-CD1 4.39Å; R121-I155 WeakPolarHBondContact CD-O 3.49Å; R121-I155 WeakPolarHBondContact CG-O 3.3Å; R121-I155 PolarHBondContact NE-O 3.37Å; R121-I155 PolarHBondContact NH1-O 2.82Å; R121-F156 HydrophobicContact CG-CD1 4.22Å; R121-F156 HydrophobicContact CG-CE1 3.7Å; R121-F156 HydrophobicContact CG-CE2 4.46Å; R121-F156 HydrophobicContact CG-CZ 3.82Å
122S97.2Very high96.2Very high68 Ų6856.5 Ų56.548%0.47634%0.339SS..Hα-helixtrans-61.5-41.2-178.8-60.50000112.1S118 A119 V120 S126S118-S122 WeakPolarHBondContact O-CB 3.47Å; S118-S122 PolarHBondContact O-N 2.99Å; S118-S122 PolarHBondContact O-OG 3.04Å; A119-S122 PolarHBondContact O-N 2.91Å; V120-S122 PolarHBondContact O-N 3.44Å; S122-S126 VanDerWaalsContact O-CB 3.3Å; S122-S126 WeakPolarHBondContact O-CB 3.4Å; S122-S126 PolarHBondContact O-N 2.84Å
123F97.8Very high95.9Very high102 Ų10262.5 Ų62.545%0.44737%0.369SS..Hα-helixtrans-61.8-49.9175.8-173.6-89.6000111.6I90 A119 V120 R121 S126 L127I90-F123 HydrophobicContact CB-CD1 4.37Å; I90-F123 HydrophobicContact CB-CE1 4.24Å; I90-F123 HydrophobicContact CG1-CD1 4.15Å; I90-F123 HydrophobicContact CG1-CE1 4.39Å; I90-F123 HydrophobicContact CG2-CD1 4.11Å; I90-F123 HydrophobicContact CG2-CE1 4.15Å; A119-F123 WeakPolarHBondContact O-CB 3.41Å; A119-F123 PolarHBondContact O-N 3.39Å; V120-F123 PolarHBondContact O-N 2.78Å; R121-F123 VanDerWaalsContact C-N 3.33Å; R121-F123 PolarHBondContact O-N 2.97Å; F123-S126 PolarHBondContact O-N 3.01Å; F123-L127 HydrophobicContact CD1-CD1 3.7Å; F123-L127 HydrophobicContact CD1-CG 4.33Å; F123-L127 HydrophobicContact CE1-CD1 3.32Å; F123-L127 HydrophobicContact CE1-CG 4.13Å; F123-L127 HydrophobicContact CZ-CD1 4.08Å; F123-L127 WeakPolarHBondContact O-CG 3.47Å; F123-L127 PolarHBondContact O-N 3.05Å
124I98Very high95.8Very high0 Ų065.4 Ų65.40%038%0.382CS..Hα-helixtrans-64.3-46.3178.8-67171.7000110.9F56 I87 I90 L91 V120 R121 S126 L127 I128 L152 I155 F156F56-I124 HydrophobicContact CE1-CG2 4.31Å; F56-I124 HydrophobicContact CZ-CG2 4.37Å; I87-I124 HydrophobicContact CD1-CG2 4.1Å; I87-I124 HydrophobicContact CG1-CG1 4.46Å; I87-I124 HydrophobicContact CG1-CG2 4.34Å; I87-I124 HydrophobicContact CG2-CD1 4.47Å; I90-I124 HydrophobicContact CG2-CD1 4.41Å; I90-I124 HydrophobicContact CG2-CG1 4.12Å; L91-I124 HydrophobicContact CD2-CD1 3.82Å; L91-I124 HydrophobicContact CG-CD1 4.24Å; V120-I124 HydrophobicContact CG1-CD1 3.8Å; V120-I124 HydrophobicContact CG1-CG1 4.44Å; V120-I124 WeakPolarHBondContact O-CG1 3.36Å; V120-I124 PolarHBondContact O-N 3.16Å; R121-I124 PolarHBondContact O-N 3.39Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 3.18Å; I124-L127 PolarHBondContact O-N 3.05Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 3.28Å; I124-L152 HydrophobicContact CD1-CD2 4.28Å; I124-I155 HydrophobicContact CD1-CD1 4.17Å; I124-F156 HydrophobicContact CB-CE2 4.17Å; I124-F156 HydrophobicContact CB-CZ 3.91Å; I124-F156 HydrophobicContact CD1-CE2 4.38Å; I124-F156 HydrophobicContact CG2-CE2 3.78Å; I124-F156 HydrophobicContact CG2-CZ 3.66Å
125S96.8Very high95.7Very high37 Ų3760.3 Ų60.326%0.25935%0.352SS..Hα-helixtrans-55.8-44.8175.6-74.90000112.1R121 I128 K129 F156R121-S125 WeakPolarHBondContact O-CB 3.49Å; R121-S125 PolarHBondContact O-N 3.49Å; R121-S125 PolarHBondContact O-OG 2.87Å; S125-I128 PolarHBondContact O-N 2.61Å; S125-K129 WeakPolarHBondContact O-CB 3.36Å; S125-K129 PolarHBondContact O-N 3.46Å; S125-F156 WeakPolarHBondContact OG-CE1 3.27Å
126S96.2Very high95.6Very high60 Ų6061.7 Ų61.742%0.4236%0.356SS..Hα-helixtrans-64.2-43.5179.1-173.20000111.6S122 F123 I124 K129 N130S122-S126 VanDerWaalsContact O-CB 3.3Å; S122-S126 WeakPolarHBondContact O-CB 3.4Å; S122-S126 PolarHBondContact O-N 2.84Å; F123-S126 PolarHBondContact O-N 3.01Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 3.18Å; S126-K129 PolarHBondContact O-N 2.8Å; S126-N130 WeakPolarHBondContact O-CB 3.44Å; S126-N130 PolarHBondContact O-N 2.69Å; S126-N130 PolarHBondContact O-ND2 3.19Å; S126-N130 PolarHBondContact OG-ND2 3.06Å
127L97.1Very high95.7Very high51 Ų5161 Ų6127%0.26735%0.353SS..Hα-helixtrans-61.1-46.2175.2-70.5175.7000112V86 I87 F123 I124 N130 A131V86-L127 HydrophobicContact CB-CD1 4.48Å; V86-L127 HydrophobicContact CG2-CD1 3.55Å; V86-L127 HydrophobicContact CG2-CD2 4.23Å; V86-L127 HydrophobicContact CG2-CG 4.49Å; I87-L127 HydrophobicContact CG1-CD1 3.96Å; F123-L127 HydrophobicContact CD1-CD1 3.7Å; F123-L127 HydrophobicContact CD1-CG 4.33Å; F123-L127 HydrophobicContact CE1-CD1 3.32Å; F123-L127 HydrophobicContact CE1-CG 4.13Å; F123-L127 HydrophobicContact CZ-CD1 4.08Å; F123-L127 WeakPolarHBondContact O-CG 3.47Å; F123-L127 PolarHBondContact O-N 3.05Å; I124-L127 PolarHBondContact O-N 3.05Å; L127-N130 PolarHBondContact O-N 2.79Å; L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 2.92Å
128I96.6Very high95.7Very high2 Ų260.6 Ų60.61%0.0135%0.35CS..Hα-helixtrans-63.7-44.5179.6-66174.6000110.4I54 F56 R79 I87 I124 S125 L138 N140I54-I128 HydrophobicContact CG2-CD1 4Å; F56-I128 HydrophobicContact CE1-CD1 3.66Å; F56-I128 HydrophobicContact CZ-CD1 3.78Å; R79-I128 PolarHBondContact NH1-O 2.8Å; R79-I128 PolarHBondContact NH2-O 2.94Å; I87-I128 HydrophobicContact CD1-CD1 4.36Å; I87-I128 HydrophobicContact CD1-CG1 3.89Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 3.28Å; S125-I128 PolarHBondContact O-N 2.61Å; I128-L138 HydrophobicContact CG2-CB 3.72Å; I128-L138 HydrophobicContact CG2-CD1 4.04Å; I128-N140 HydrophobicContact CD1-CB 3.85Å; I128-N140 HydrophobicContact CG1-CB 4.03Å
129K95.1Very high95.7Very high128 Ų12857.4 Ų57.456%0.55733%0.328SS*.Hα-helixtrans-62.2-45.2179.2-175.3177.2178.61790112R79 S125 S126 L138R79-K129 PolarHBondContact NH2-O 3.23Å; S125-K129 WeakPolarHBondContact O-CB 3.36Å; S125-K129 PolarHBondContact O-N 3.46Å; S126-K129 PolarHBondContact O-N 2.8Å; K129-L138 HydrophobicContact CB-CD1 4.36Å
130N94.4Very high95.7Very high122 Ų12254.7 Ų54.765%0.65231%0.305SS*.Hα-helixtrans-88.5-1.4-173.9-67.2-75.2000114.6S126 L127 G132S126-N130 WeakPolarHBondContact O-CB 3.44Å; S126-N130 PolarHBondContact O-N 2.69Å; S126-N130 PolarHBondContact O-ND2 3.19Å; S126-N130 PolarHBondContact OG-ND2 3.06Å; L127-N130 PolarHBondContact O-N 2.79Å; N130-G132 PolarHBondContact O-N 3.5Å
131A92.1Very high95.7Very high54 Ų5454.5 Ų54.545%0.44630%0.304SS..THydrogen-bonded Turntrans-70.9-14179.400000114.2L127L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.44Å; L127-A131 PolarHBondContact O-N 2.92Å
132G90.6Very high95.7Very high40 Ų4050.3 Ų50.341%0.41229%0.288SS..SBendtrans-176.7-164.7-179.100000111.3N130N130-G132 PolarHBondContact O-N 3.5Å
133E89.5Confident95.7Very high169 Ų16947.5 Ų47.579%0.7927%0.269SS*.SBendtrans-61.2156.6177.7-64.7179.1176.100112R79R79-E133 PolarHBondContact NE-O 3.31Å; R79-E133 PolarHBondContact NH2-O 3.07Å
134N92.2Very high95.6Very high120 Ų12045 Ų4564%0.64226%0.259SS*.  trans-72.7146.1175.8-166.340.5000110.3
135A94.2Very high95.6Very high11 Ų1145 Ų459%0.09126%0.259CS..  trans-147.8154176.700000110.4Q52 R79 V137 L138Q52-A135 PolarHBondContact NE2-O 2.83Å; R79-A135 HydrophobicContact CB-CB 3.65Å; A135-V137 PolarHBondContact O-N 3.48Å; A135-V137 VanDerWaalsContact O-N 3.11Å; A135-L138 HydrophobicContact CB-CD2 4.26Å
136P95.3Very high95.7Very high77 Ų7743.2 Ų43.250%0.525%0.247SC..SBendtrans-54.3-28.1175.7-27.634.5000114.6Q52 M77Q52-P136 PolarHBondContact NE2-O 3.39Å; M77-P136 HydrophobicContact CB-CB 4.27Å; M77-P136 HydrophobicContact CB-CG 4.29Å; M77-P136 HydrophobicContact CE-CB 4.1Å; M77-P136 WeakPolarHBondContact O-CD 3.06Å
137V97.4Very high95.7Very high3 Ų342.5 Ų42.52%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-129.4121.5172.9-1780000108.9Q53 V55 M77 I78 R79 A135 I240Q53-V137 HydrophobicContact CB-CG1 4.37Å; Q53-V137 HydrophobicContact CB-CG2 4.27Å; Q53-V137 HydrophobicContact CG-CG1 4.13Å; Q53-V137 HydrophobicContact CG-CG2 4.46Å; V55-V137 HydrophobicContact CG2-CG1 3.73Å; M77-V137 PolarHBondContact O-N 2.92Å; I78-V137 WeakPolarHBondContact CA-O 2.91Å; I78-V137 HydrophobicContact CG1-CB 4.11Å; I78-V137 HydrophobicContact CG1-CG1 4.45Å; I78-V137 HydrophobicContact CG2-CG1 4.48Å; R79-V137 PolarHBondContact N-O 3.48Å; A135-V137 PolarHBondContact O-N 3.48Å; A135-V137 VanDerWaalsContact O-N 3.11Å; V137-I240 HydrophobicContact CB-CD1 4.24Å; V137-I240 HydrophobicContact CG1-CD1 4.06Å; V137-I240 HydrophobicContact CG2-CD1 3.75Å; V137-I240 HydrophobicContact CG2-CG1 4.17Å
138L97.6Very high95.7Very high6 Ų641.7 Ų41.73%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-91.2147173-57.6-172.6000109.4Q52 Q53 I54 V55 I128 K129 A135Q52-L138 HydrophobicContact CG-CD1 3.89Å; Q52-L138 HydrophobicContact CG-CG 3.84Å; Q53-L138 PolarHBondContact O-N 3.21Å; I54-L138 CarbonylContact C-O 3.4Å; I54-L138 VanDerWaalsContact CA-O 3.26Å; I54-L138 WeakPolarHBondContact CA-O 3.36Å; V55-L138 PolarHBondContact N-O 2.91Å; I128-L138 HydrophobicContact CG2-CB 3.72Å; I128-L138 HydrophobicContact CG2-CD1 4.04Å; K129-L138 HydrophobicContact CB-CD1 4.36Å; A135-L138 HydrophobicContact CB-CD2 4.26Å
139C97.9Very high95.8Very high1 Ų141.6 Ų41.61%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-133.8149.1-179160.50000110.4V55 I78 R79 C80V55-C139 HydrophobicContact CB-CB 4.31Å; V55-C139 CarbonylContact O-C 3.59Å; V55-C139 WeakPolarHBondContact O-CA 3.36Å; I78-C139 HydrophobicContact CG2-CB 3.97Å; R79-C139 PolarHBondContact O-N 2.97Å; C80-C139 WeakPolarHBondContact CA-O 3.4Å; C80-C139 HydrophobicContact CB-CB 3.69Å; C80-C139 WeakPolarHBondContact CB-SG 3.44Å; C80-C139 WeakPolarHBondContact SG-CB 3.39Å; C80-C139 CovalentContact SG-SG 2.03Å; C80-C139 PolarHBondContact SG-SG 3.23Å
140N98.1Very high95.9Very high3 Ų340.4 Ų40.42%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-132.2132.9171.9172.2-111.6000110.1V55 F56 I57 T84 I128 D142V55-N140 PolarHBondContact O-N 3.49Å; F56-N140 CarbonylContact C-O 3.48Å; F56-N140 WeakPolarHBondContact CA-O 3.42Å; F56-N140 HydrophobicContact CD1-CB 3.98Å; F56-N140 HydrophobicContact CE1-CB 4.2Å; I57-N140 PolarHBondContact N-O 3.28Å; T84-N140 WeakPolarHBondContact CG2-ND2 3.47Å; I128-N140 HydrophobicContact CD1-CB 3.85Å; I128-N140 HydrophobicContact CG1-CB 4.03Å; N140-D142 PolarHBondContact ND2-OD2 3.36Å
141K98Very high96.1Very high0 Ų035.5 Ų35.50%020%0.201CC..EExtended strand (participates in β ladder)trans-121.3105.8171.8-175.3-84.5-50.6-1620109.8I57 T66 R69 E83 P143 E262I57-K141 HydrophobicContact CB-CB 4.09Å; I57-K141 HydrophobicContact CB-CG 4.04Å; I57-K141 HydrophobicContact CG2-CG 3.99Å; I57-K141 WeakPolarHBondContact O-CA 3.35Å; T66-K141 PolarHBondContact OG1-NZ 2.87Å; R69-K141 HydrophobicContact CB-CB 3.72Å; R69-K141 HydrophobicContact CB-CG 3.95Å; R69-K141 HydrophobicContact CG-CB 3.89Å; R69-K141 HydrophobicContact CG-CD 4.46Å; R69-K141 HydrophobicContact CG-CG 3.94Å; E83-K141 WeakPolarHBondContact CA-O 3.38Å; E83-K141 VanDerWaalsContact CD-NZ 3.32Å; E83-K141 HydrophobicContact CG-CD 4.15Å; E83-K141 VanDerWaalsContact CG-CE 3.46Å; E83-K141 WeakPolarHBondContact CG-O 3.38Å; E83-K141 IonicContact OE1-NZ 3.36Å; E83-K141 PolarHBondContact OE1-NZ 3.43Å; K141-P143 HydrophobicContact CD-CG 4.28Å; K141-E262 IonicContact NZ-OE2 2.7Å; K141-E262 PolarHBondContact NZ-OE2 3.4Å
142D97.9Very high96.4Very high3 Ų332.9 Ų32.92%0.01618%0.18CC..  trans-137.9104.1169.3-86.5-80.4000106.8I57 T84 R85 P88 N140 L144 S145I57-D142 PolarHBondContact O-N 2.95Å; T84-D142 WeakPolarHBondContact CB-OD2 3.22Å; T84-D142 PolarHBondContact N-OD1 3.37Å; T84-D142 PolarHBondContact N-OD2 3.36Å; T84-D142 VanDerWaalsContact N-OD2 3.08Å; T84-D142 PolarHBondContact OG1-OD2 2.97Å; R85-D142 WeakPolarHBondContact CA-OD1 3.35Å; R85-D142 PolarHBondContact N-OD1 3.41Å; P88-D142 HydrophobicContact CG-CB 3.61Å; N140-D142 PolarHBondContact ND2-OD2 3.36Å; D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 PolarHBondContact O-N 3.17Å; D142-S145 VanDerWaalsContact O-CB 3.3Å; D142-S145 WeakPolarHBondContact O-CB 3.37Å; D142-S145 PolarHBondContact O-N 3.09Å; D142-S145 PolarHBondContact O-OG 3.4Å
143P97.4Very high96.8Very high9 Ų931.3 Ų31.36%0.05816%0.163CC..G310 helixtrans-53.1-44.6-162.9-28.135.2000113.9G59 P61 T65 E83 K141 S145 F146G59-P143 PolarHBondContact N-O 3.19Å; G59-P143 VanDerWaalsContact N-O 3.11Å; G59-P143 CarbonylContact O-C 3.32Å; G59-P143 WeakPolarHBondContact O-CA 3.23Å; G59-P143 VanDerWaalsContact O-CB 3.23Å; G59-P143 WeakPolarHBondContact O-CB 3.47Å; P61-P143 HydrophobicContact CG-CB 4.01Å; T65-P143 HydrophobicContact CG2-CB 4.44Å; T65-P143 HydrophobicContact CG2-CG 4.44Å; E83-P143 WeakPolarHBondContact OE1-CD 3.33Å; K141-P143 HydrophobicContact CD-CG 4.28Å; P143-S145 VanDerWaalsContact C-N 3.27Å; P143-S145 PolarHBondContact O-N 2.96Å; P143-F146 PolarHBondContact O-N 2.86Å
144L95.3Very high97.2Very high49 Ų4929.1 Ų29.126%0.25715%0.153SC..G310 helixtrans-800.3-176.1-57.8-179.8000114.2P61 D142 F146 I147 I182P61-L144 HydrophobicContact CG-CD2 4.06Å; P61-L144 HydrophobicContact CG-CG 4.3Å; D142-L144 VanDerWaalsContact C-N 3.28Å; D142-L144 PolarHBondContact O-N 3.17Å; L144-F146 PolarHBondContact O-N 3.04Å; L144-I147 HydrophobicContact CB-CD1 4.14Å; L144-I147 HydrophobicContact CD2-CD1 4.16Å; L144-I147 PolarHBondContact O-N 3.4Å; L144-I182 HydrophobicContact CD1-CG2 4.02Å
145S97.8Very high97.4Very high0 Ų023.9 Ų23.90%013%0.125CC..G310 helixtrans-63.6-28.5169.670.60000111.1D142 P143 I147 H148D142-S145 VanDerWaalsContact O-CB 3.3Å; D142-S145 WeakPolarHBondContact O-CB 3.37Å; D142-S145 PolarHBondContact O-N 3.09Å; D142-S145 PolarHBondContact O-OG 3.4Å; P143-S145 VanDerWaalsContact C-N 3.27Å; P143-S145 PolarHBondContact O-N 2.96Å; S145-I147 PolarHBondContact O-N 3.32Å; S145-H148 WeakPolarHBondContact O-CA 3.44Å; S145-H148 PolarHBondContact O-N 3.16Å
146F98.2Very high97.6Very high0 Ų023.5 Ų23.50%012%0.121CC..G310 helixtrans-70.5-10.9-179.9-86.1-134.7000114F56 G58 P143 L144 H148 L149 F161 V162 H163 I203F56-F146 HydrophobicContact CB-CE2 3.93Å; F56-F146 HydrophobicContact CB-CZ 4.46Å; F56-F146 WeakPolarHBondContact O-CZ 3.32Å; G58-F146 VanDerWaalsContact CA-CD2 3.44Å; P143-F146 PolarHBondContact O-N 2.86Å; L144-F146 PolarHBondContact O-N 3.04Å; F146-H148 PolarHBondContact O-N 3.17Å; F146-L149 HydrophobicContact CB-CB 4.46Å; F146-L149 HydrophobicContact CD1-CD1 4.15Å; F146-L149 HydrophobicContact CD1-CD2 3.99Å; F146-L149 HydrophobicContact CE1-CD1 4.05Å; F146-L149 HydrophobicContact CE1-CD2 4.3Å; F146-L149 HydrophobicContact CG-CD1 4.42Å; F146-L149 HydrophobicContact CZ-CD1 4.26Å; F146-L149 WeakPolarHBondContact O-CB 3.29Å; F146-L149 PolarHBondContact O-N 2.92Å; F146-L149 VanDerWaalsContact O-N 3.09Å; F146-F161 HydrophobicContact CE1-CB 4.26Å; F146-F161 HydrophobicContact CE2-CD1 4.26Å; F146-F161 HydrophobicContact CZ-CB 3.91Å; F146-F161 HydrophobicContact CZ-CD1 4.12Å; F146-V162 WeakPolarHBondContact CE1-O 3.02Å; F146-V162 WeakPolarHBondContact CZ-O 3.23Å; F146-H163 HydrophobicContact CD1-CB 4.08Å; F146-H163 HydrophobicContact CE1-CB 3.73Å; F146-I203 HydrophobicContact CB-CD1 3.98Å; F146-I203 HydrophobicContact CB-CG1 4.25Å; F146-I203 HydrophobicContact CB-CG2 3.95Å; F146-I203 HydrophobicContact CD1-CG2 3.8Å; F146-I203 HydrophobicContact CG-CG2 4.39Å
147I96.3Very high97.6Very high45 Ų4522.7 Ų22.723%0.23112%0.116CC..G310 helixtrans-57.5-27.9164.6-64.2174.4000110.4L144 S145L144-I147 HydrophobicContact CB-CD1 4.14Å; L144-I147 HydrophobicContact CD2-CD1 4.16Å; L144-I147 PolarHBondContact O-N 3.4Å; S145-I147 PolarHBondContact O-N 3.32Å
148H97.8Very high97.5Very high34 Ų3428.6 Ų28.616%0.15714%0.143CC..G310 helixtrans-110.129.5178.3-54.9-82.6000111.7L91 N92 S145 F146 E150 Y151 L152L91-H148 HydrophobicContact CB-CB 4.24Å; L91-H148 HydrophobicContact CD1-CB 4.39Å; L91-H148 HydrophobicContact CD2-CB 4.36Å; N92-H148 PolarHBondContact OD1-NE2 3.04Å; S145-H148 WeakPolarHBondContact O-CA 3.44Å; S145-H148 PolarHBondContact O-N 3.16Å; F146-H148 PolarHBondContact O-N 3.17Å; H148-E150 PolarHBondContact O-N 3.07Å; H148-Y151 PolarHBondContact O-N 3.24Å; H148-L152 PolarHBondContact O-N 2.75Å
149L98.5Very high97.5Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-55.2-48.4-174.2174.458.6000113F146 Y151 L152 A153 F161 I203 C207 V210F146-L149 HydrophobicContact CB-CB 4.46Å; F146-L149 HydrophobicContact CD1-CD1 4.15Å; F146-L149 HydrophobicContact CD1-CD2 3.99Å; F146-L149 HydrophobicContact CE1-CD1 4.05Å; F146-L149 HydrophobicContact CE1-CD2 4.3Å; F146-L149 HydrophobicContact CG-CD1 4.42Å; F146-L149 HydrophobicContact CZ-CD1 4.26Å; F146-L149 WeakPolarHBondContact O-CB 3.29Å; F146-L149 PolarHBondContact O-N 2.92Å; F146-L149 VanDerWaalsContact O-N 3.09Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 2.85Å; L149-L152 PolarHBondContact O-N 2.03Å; L149-A153 WeakPolarHBondContact O-CB 3.44Å; L149-A153 PolarHBondContact O-N 3.39Å; L149-F161 HydrophobicContact CD1-CB 3.77Å; L149-F161 HydrophobicContact CD1-CD1 3.25Å; L149-F161 HydrophobicContact CD1-CD2 4.17Å; L149-F161 HydrophobicContact CD1-CE1 3.88Å; L149-F161 HydrophobicContact CD1-CG 3.45Å; L149-F161 VanDerWaalsContact CD1-CG 3.45Å; L149-I203 HydrophobicContact CD2-CG2 4.15Å; L149-C207 HydrophobicContact CD2-CB 3.83Å; L149-V210 HydrophobicContact CG-CG2 4.24Å
150E98.4Very high97.5Very high103 Ų10329.1 Ų29.148%0.48115%0.145SC..Hα-helixtrans-61.1-42.2178.2-75169.2-115.300112H148 A153 E154 S206 A209 V210H148-E150 PolarHBondContact O-N 3.07Å; E150-A153 WeakPolarHBondContact O-CB 3.22Å; E150-A153 PolarHBondContact O-N 3.12Å; E150-E154 PolarHBondContact O-N 3.19Å; E150-S206 WeakPolarHBondContact OE1-CA 3.49Å; E150-S206 VanDerWaalsContact OE1-CB 3.32Å; E150-S206 WeakPolarHBondContact OE1-CB 3.29Å; E150-S206 PolarHBondContact OE1-OG 2.03Å; E150-A209 HydrophobicContact CG-CB 4.49Å; E150-V210 HydrophobicContact CG-CG2 4.44Å
151Y98.2Very high97.6Very high18 Ų1829 Ų297%0.07114%0.144CC..Hα-helixtrans-66.1-42.2176.7175.4-116.4000112L91 R94 D117 V120 H148 L149 A153 E154 I155L91-Y151 HydrophobicContact CD2-CD1 3.84Å; L91-Y151 HydrophobicContact CD2-CE1 3.93Å; R94-Y151 HydrophobicContact CB-CE1 4.42Å; R94-Y151 HydrophobicContact CG-CE1 3.88Å; R94-Y151 WeakPolarHBondContact CG-OH 3.22Å; R94-Y151 PolarHBondContact NE-OH 2.86Å; R94-Y151 VanDerWaalsContact NE-OH 3.17Å; D117-Y151 WeakPolarHBondContact OD1-CE2 3.49Å; D117-Y151 PolarHBondContact OD1-OH 3.01Å; V120-Y151 HydrophobicContact CG1-CE1 4.15Å; H148-Y151 PolarHBondContact O-N 3.24Å; L149-Y151 VanDerWaalsContact C-N 3.33Å; L149-Y151 PolarHBondContact O-N 2.85Å; Y151-A153 VanDerWaalsContact C-N 3.26Å; Y151-A153 PolarHBondContact O-N 2.69Å; Y151-E154 WeakPolarHBondContact O-CB 3.32Å; Y151-E154 PolarHBondContact O-N 3.02Å; Y151-I155 HydrophobicContact CD2-CG2 4.05Å; Y151-I155 HydrophobicContact CE1-CD1 3.89Å; Y151-I155 HydrophobicContact CE1-CG1 4.44Å; Y151-I155 HydrophobicContact CE1-CG2 4.38Å; Y151-I155 HydrophobicContact CE2-CG2 3.32Å; Y151-I155 WeakPolarHBondContact O-CG1 3.43Å; Y151-I155 PolarHBondContact O-N 3.06Å
152L98.3Very high97.6Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-58.9-41173.1-78.5170.5000111.3F56 L91 I124 H148 L149 E154 I155 F156 F161F56-L152 HydrophobicContact CE1-CD2 4.22Å; F56-L152 HydrophobicContact CZ-CD2 4.35Å; L91-L152 HydrophobicContact CD1-CD1 4.01Å; L91-L152 HydrophobicContact CD1-CD2 4.07Å; L91-L152 HydrophobicContact CD1-CG 4.15Å; L91-L152 HydrophobicContact CD2-CD2 3.8Å; L91-L152 HydrophobicContact CD2-CG 4.1Å; I124-L152 HydrophobicContact CD1-CD2 4.28Å; H148-L152 PolarHBondContact O-N 2.75Å; L149-L152 PolarHBondContact O-N 2.03Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.48Å; L152-I155 PolarHBondContact O-N 3.04Å; L152-F156 HydrophobicContact CD2-CD2 4.21Å; L152-F156 HydrophobicContact CD2-CE2 4.21Å; L152-F156 WeakPolarHBondContact O-CB 3.47Å; L152-F156 PolarHBondContact O-N 3.05Å; L152-F161 HydrophobicContact CB-CE1 3.71Å; L152-F161 HydrophobicContact CB-CZ 4.02Å; L152-F161 HydrophobicContact CD1-CE1 4.49Å
153A98.3Very high97.7Very high6 Ų628.8 Ų28.85%0.0514%0.143CC..Hα-helixtrans-66.8-32.3177.300000112.9L149 E150 Y151 F156 F161 V210 R214L149-A153 WeakPolarHBondContact O-CB 3.44Å; L149-A153 PolarHBondContact O-N 3.39Å; E150-A153 WeakPolarHBondContact O-CB 3.22Å; E150-A153 PolarHBondContact O-N 3.12Å; Y151-A153 VanDerWaalsContact C-N 3.26Å; Y151-A153 PolarHBondContact O-N 2.69Å; A153-F156 CarbonylContact O-C 3.53Å; A153-F161 HydrophobicContact CB-CD2 4.48Å; A153-F161 HydrophobicContact CB-CE2 3.64Å; A153-F161 HydrophobicContact CB-CZ 3.91Å; A153-V210 HydrophobicContact CB-CB 4.38Å; A153-V210 HydrophobicContact CB-CG1 3.96Å; A153-V210 HydrophobicContact CB-CG2 3.49Å; A153-V210 VanDerWaalsContact CB-CG2 3.49Å; A153-R214 PolarHBondContact O-NH1 3.42Å; A153-R214 PolarHBondContact O-NH2 2.92Å
154E97.5Very high97.7Very high124 Ų12428.4 Ų28.458%0.57914%0.141SC*.Hα-helixtrans-66.5-53.2172.5-177-176.117800111.1E150 Y151 L152 F156E150-E154 PolarHBondContact O-N 3.19Å; Y151-E154 WeakPolarHBondContact O-CB 3.32Å; Y151-E154 PolarHBondContact O-N 3.02Å; L152-E154 VanDerWaalsContact C-N 3.32Å; L152-E154 PolarHBondContact O-N 3.48Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.76Å
155I97.1Very high97.9Very high10 Ų1026 Ų265%0.05113%0.128CC..Hα-helixtrans-79.8-8.1-176.166.1162.8000114.1D117 V120 R121 I124 Y151 L152D117-I155 HydrophobicContact CB-CG2 3.93Å; V120-I155 HydrophobicContact CG1-CD1 4.04Å; R121-I155 HydrophobicContact CB-CB 4.38Å; R121-I155 HydrophobicContact CB-CD1 4.39Å; R121-I155 WeakPolarHBondContact CD-O 3.49Å; R121-I155 WeakPolarHBondContact CG-O 3.3Å; R121-I155 PolarHBondContact NE-O 3.37Å; R121-I155 PolarHBondContact NH1-O 2.82Å; I124-I155 HydrophobicContact CD1-CD1 4.17Å; Y151-I155 HydrophobicContact CD2-CG2 4.05Å; Y151-I155 HydrophobicContact CE1-CD1 3.89Å; Y151-I155 HydrophobicContact CE1-CG1 4.44Å; Y151-I155 HydrophobicContact CE1-CG2 4.38Å; Y151-I155 HydrophobicContact CE2-CG2 3.32Å; Y151-I155 WeakPolarHBondContact O-CG1 3.43Å; Y151-I155 PolarHBondContact O-N 3.06Å; L152-I155 PolarHBondContact O-N 3.04Å
156F97.7Very high97.9Very high3 Ų326.6 Ų26.61%0.01313%0.131CC..  trans-131.777173.7-68.3-78000111I54 F56 R121 I124 S125 L152 A153 E154 E158 A159 R214I54-F156 HydrophobicContact CD1-CD1 4.07Å; I54-F156 HydrophobicContact CD1-CE1 3.91Å; F56-F156 HydrophobicContact CE2-CB 4.33Å; F56-F156 AromaticContact CE2-CD2 3.91Å; F56-F156 HydrophobicContact CE2-CD2 3.91Å; F56-F156 HydrophobicContact CE2-CE2 4.4Å; F56-F156 HydrophobicContact CE2-CG 4.04Å; F56-F156 AromaticContact CZ-CD2 3.74Å; F56-F156 HydrophobicContact CZ-CD2 3.74Å; F56-F156 AromaticContact CZ-CE2 3.78Å; F56-F156 HydrophobicContact CZ-CE2 3.78Å; F56-F156 HydrophobicContact CZ-CG 4.21Å; F56-F156 HydrophobicContact CZ-CZ 4.25Å; R121-F156 HydrophobicContact CG-CD1 4.22Å; R121-F156 HydrophobicContact CG-CE1 3.7Å; R121-F156 HydrophobicContact CG-CE2 4.46Å; R121-F156 HydrophobicContact CG-CZ 3.82Å; I124-F156 HydrophobicContact CB-CE2 4.17Å; I124-F156 HydrophobicContact CB-CZ 3.91Å; I124-F156 HydrophobicContact CD1-CE2 4.38Å; I124-F156 HydrophobicContact CG2-CE2 3.78Å; I124-F156 HydrophobicContact CG2-CZ 3.66Å; S125-F156 WeakPolarHBondContact OG-CE1 3.27Å; L152-F156 HydrophobicContact CD2-CD2 4.21Å; L152-F156 HydrophobicContact CD2-CE2 4.21Å; L152-F156 WeakPolarHBondContact O-CB 3.47Å; L152-F156 PolarHBondContact O-N 3.05Å; A153-F156 CarbonylContact O-C 3.53Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.76Å; F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 PolarHBondContact O-N 2.81Å; F156-A159 HydrophobicContact CB-CB 3.59Å; F156-A159 WeakPolarHBondContact O-CB 3.47Å; F156-A159 PolarHBondContact O-N 2.88Å; F156-R214 PolarHBondContact O-NH2 3.34Å
157P96Very high97.9Very high60 Ų6026.6 Ų26.639%0.3913%0.131SC..THydrogen-bonded Turntrans-63.8-27.3-170.427-32.1000113.7R214P157-R214 PolarHBondContact O-NE 3.22Å; P157-R214 PolarHBondContact O-NH1 2.85Å; P157-R214 PolarHBondContact O-NH2 2.87Å
158E95.1Very high97.9Very high127 Ų12724.5 Ų24.559%0.59312%0.12SC*.THydrogen-bonded Turntrans-92.8-2.4178.1-53.5-50.3124.100113.5P51 F156P51-E158 HydrophobicContact CG-CG 4.28Å; F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 PolarHBondContact O-N 2.81Å
159A97.9Very high97.9Very high2 Ų222.9 Ų22.92%0.01711%0.112CC..  trans-76.8148-178.700000112.2I54 F56 F156 F161 R214I54-A159 HydrophobicContact CB-CB 4.44Å; I54-A159 VanDerWaalsContact O-CA 3.25Å; I54-A159 WeakPolarHBondContact O-CA 3.33Å; I54-A159 WeakPolarHBondContact O-CB 3.37Å; F56-A159 HydrophobicContact CD2-CB 3.91Å; F56-A159 HydrophobicContact CE2-CB 3.79Å; F156-A159 HydrophobicContact CB-CB 3.59Å; F156-A159 WeakPolarHBondContact O-CB 3.47Å; F156-A159 PolarHBondContact O-N 2.88Å; A159-F161 HydrophobicContact CB-CE2 4.19Å; A159-F161 HydrophobicContact CB-CZ 4.02Å; A159-R214 PolarHBondContact O-NE 3.01Å
160K98.5Very high97.8Very high15 Ų1523 Ų237%0.06511%0.113CC..EExtended strand (participates in β ladder)trans-106.9148.5170.4-67.7-176178.5173.30110.5I54 V55 F56 R214 F237 L238 E239I54-K160 PolarHBondContact O-N 2.75Å; I54-K160 VanDerWaalsContact O-N 3.12Å; V55-K160 CarbonylContact C-O 3.57Å; V55-K160 WeakPolarHBondContact CA-O 3.49Å; F56-K160 PolarHBondContact N-O 3.47Å; K160-R214 CarbonylContact C-O 3.58Å; K160-R214 WeakPolarHBondContact CA-O 3.35Å; K160-F237 HydrophobicContact CB-CE1 4Å; K160-F237 HydrophobicContact CB-CZ 3.99Å; K160-F237 HydrophobicContact CD-CE1 4.24Å; K160-F237 HydrophobicContact CD-CZ 4.28Å; K160-F237 WeakPolarHBondContact CD-O 3.4Å; K160-F237 VanDerWaalsContact CE-O 3.27Å; K160-F237 WeakPolarHBondContact CE-O 3.07Å; K160-F237 HydrophobicContact CG-CE1 4.49Å; K160-F237 HydrophobicContact CG-CZ 4.27Å; K160-F237 PolarHBondContact NZ-O 3.28Å; K160-L238 HydrophobicContact CB-CD2 3.91Å; K160-L238 HydrophobicContact CD-CD2 3.99Å; K160-L238 PolarHBondContact NZ-O 3.22Å; K160-E239 VanDerWaalsContact NZ-CD 3.31Å; K160-E239 VanDerWaalsContact NZ-CG 3.28Å; K160-E239 IonicContact NZ-OE1 3.18Å; K160-E239 PolarHBondContact NZ-OE1 3.15Å
161F98.9Very high97.8Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-124.6126.7-172.5-60.5-85.1000110.1F56 F146 L149 L152 A153 A159 V210 R214 C215 S216F56-F161 HydrophobicContact CB-CD1 3.68Å; F56-F161 HydrophobicContact CB-CE1 3.89Å; F56-F161 HydrophobicContact CD2-CD1 4.17Å; F56-F161 AromaticContact CD2-CE1 3.58Å; F56-F161 HydrophobicContact CD2-CE1 3.58Å; F56-F161 HydrophobicContact CD2-CZ 4.15Å; F56-F161 HydrophobicContact CE2-CE1 4.37Å; F56-F161 HydrophobicContact CG-CD1 4.24Å; F56-F161 AromaticContact CG-CE1 3.93Å; F56-F161 HydrophobicContact CG-CE1 3.93Å; F56-F161 CarbonylContact O-C 3.51Å; F56-F161 WeakPolarHBondContact O-CA 3.38Å; F146-F161 HydrophobicContact CE1-CB 4.26Å; F146-F161 HydrophobicContact CE2-CD1 4.26Å; F146-F161 HydrophobicContact CZ-CB 3.91Å; F146-F161 HydrophobicContact CZ-CD1 4.12Å; L149-F161 HydrophobicContact CD1-CB 3.77Å; L149-F161 HydrophobicContact CD1-CD1 3.25Å; L149-F161 HydrophobicContact CD1-CD2 4.17Å; L149-F161 HydrophobicContact CD1-CE1 3.88Å; L149-F161 HydrophobicContact CD1-CG 3.45Å; L149-F161 VanDerWaalsContact CD1-CG 3.45Å; L152-F161 HydrophobicContact CB-CE1 3.71Å; L152-F161 HydrophobicContact CB-CZ 4.02Å; L152-F161 HydrophobicContact CD1-CE1 4.49Å; A153-F161 HydrophobicContact CB-CD2 4.48Å; A153-F161 HydrophobicContact CB-CE2 3.64Å; A153-F161 HydrophobicContact CB-CZ 3.91Å; A159-F161 HydrophobicContact CB-CE2 4.19Å; A159-F161 HydrophobicContact CB-CZ 4.02Å; F161-V210 HydrophobicContact CD2-CG1 4.05Å; F161-V210 HydrophobicContact CE2-CG1 4.42Å; F161-R214 WeakPolarHBondContact CD2-O 3.31Å; F161-R214 PolarHBondContact N-O 3.13Å; F161-C215 HydrophobicContact CB-CB 4.08Å; F161-C215 CarbonylContact O-C 3.58Å; F161-C215 WeakPolarHBondContact O-CA 3.5Å; F161-S216 PolarHBondContact O-N 3.47Å
162V98.9Very high97.7Very high0 Ų017.2 Ų17.20%09%0.087CC..EExtended strand (participates in β ladder)trans-111.6105.9175.9-177.20000108.5V55 F56 I57 G58 M68 F146 M164 S216 I218 L234 F237 L238V55-V162 HydrophobicContact CG1-CG2 4.02Å; F56-V162 PolarHBondContact O-N 3.38Å; I57-V162 WeakPolarHBondContact CA-O 3.31Å; I57-V162 HydrophobicContact CG1-CB 4.13Å; G58-V162 PolarHBondContact N-O 3.28Å; M68-V162 HydrophobicContact CE-CG1 4.23Å; M68-V162 HydrophobicContact CG-CG1 4.03Å; M68-V162 HydrophobicContact SD-CG1 4.37Å; F146-V162 WeakPolarHBondContact CE1-O 3.02Å; F146-V162 WeakPolarHBondContact CZ-O 3.23Å; V162-M164 HydrophobicContact CG1-SD 4.25Å; V162-S216 WeakPolarHBondContact CA-O 3.21Å; V162-I218 HydrophobicContact CG1-CD1 3.95Å; V162-L234 HydrophobicContact CG1-CD1 4.3Å; V162-L234 HydrophobicContact CG2-CD1 3.66Å; V162-F237 HydrophobicContact CG2-CE1 4.41Å; V162-L238 HydrophobicContact CG2-CD2 4.41Å
163H98.8Very high97.7Very high0 Ų017.4 Ų17.40%09%0.088CC..EExtended strand (participates in β ladder)trans-92.4109.5179.7176.6-147.2000110.3F146 V165 I203 S216 T217 I218F146-H163 HydrophobicContact CD1-CB 4.08Å; F146-H163 HydrophobicContact CE1-CB 3.73Å; H163-V165 WeakPolarHBondContact CE1-CG1 3.41Å; H163-V165 WeakPolarHBondContact NE2-CG1 3.24Å; H163-I203 VanDerWaalsContact CD2-CG2 3.44Å; H163-I203 WeakPolarHBondContact CD2-CG2 3.18Å; H163-I203 VanDerWaalsContact NE2-CG2 3.29Å; H163-I203 WeakPolarHBondContact NE2-CG2 3.47Å; H163-S216 PolarHBondContact N-O 2.88Å; H163-T217 PolarHBondContact ND1-OG1 2.84Å; H163-T217 VanDerWaalsContact ND1-OG1 3.16Å; H163-T217 CarbonylContact O-C 3.58Å; H163-T217 VanDerWaalsContact O-CA 3.32Å; H163-T217 WeakPolarHBondContact O-CA 3.28Å; H163-I218 PolarHBondContact O-N 2.81Å
164M98.8Very high97.6Very high0 Ų017.7 Ų17.70%09%0.089CC..EExtended strand (participates in β ladder)trans-85.1122.9174.8-64.6-56.4-57.900111.3I57 G58 T65 M68 V162 I218 L223I57-M164 HydrophobicContact CG2-CG 4.27Å; G58-M164 PolarHBondContact O-N 3.11Å; T65-M164 HydrophobicContact CG2-CB 3.81Å; T65-M164 HydrophobicContact CG2-CG 4.04Å; M68-M164 HydrophobicContact CB-CE 4.39Å; M68-M164 HydrophobicContact CB-CG 4.05Å; M68-M164 HydrophobicContact CB-SD 3.75Å; M68-M164 HydrophobicContact CE-CE 4.17Å; M68-M164 HydrophobicContact CE-SD 3.48Å; M68-M164 WeakPolarHBondContact CE-SD 3.4Å; M68-M164 HydrophobicContact CG-CG 4.33Å; M68-M164 HydrophobicContact CG-SD 3.8Å; V162-M164 HydrophobicContact CG1-SD 4.25Å; M164-I218 HydrophobicContact CE-CB 4.37Å; M164-I218 HydrophobicContact CE-CG2 4.01Å; M164-I218 HydrophobicContact SD-CB 3.89Å; M164-I218 HydrophobicContact SD-CG2 4.07Å; M164-L223 HydrophobicContact CE-CD2 3.99Å
165V98.7Very high97.5Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-115.1155.7170.8-61.90000110.6H163 V200 L204 T217 I218 K219 Y220 L305H163-V165 WeakPolarHBondContact CE1-CG1 3.41Å; H163-V165 WeakPolarHBondContact NE2-CG1 3.24Å; V165-V200 HydrophobicContact CG1-CG1 4.15Å; V165-L204 HydrophobicContact CG1-CD2 4.27Å; V165-T217 HydrophobicContact CB-CG2 4.41Å; V165-T217 HydrophobicContact CG1-CG2 3.77Å; V165-T217 HydrophobicContact CG2-CG2 3.74Å; V165-I218 PolarHBondContact N-O 3.43Å; V165-K219 HydrophobicContact CG2-CB 4.3Å; V165-K219 HydrophobicContact CG2-CG 3.77Å; V165-Y220 WeakPolarHBondContact O-CB 3.43Å; V165-Y220 PolarHBondContact O-N 3.48Å; V165-L305 HydrophobicContact CB-CD1 4.1Å; V165-L305 HydrophobicContact CB-CD2 4.46Å; V165-L305 HydrophobicContact CG1-CD1 4.42Å; V165-L305 HydrophobicContact CG2-CD1 4.39Å; V165-L305 HydrophobicContact CG2-CD2 4.04Å
166R98.5Very high97.4Very high12 Ų1213.5 Ų13.55%0.0457%0.073CC..  trans-154.9152.9-179.7-173178.1-175.7177.43108.3R62 G168 A170 V171 W196 Y220 E221 S276R62-R166 WeakPolarHBondContact O-CD 3.43Å; R62-R166 PolarHBondContact O-NH1 2.97Å; R166-G168 PolarHBondContact O-N 3.13Å; R166-G168 VanDerWaalsContact O-N 3.14Å; R166-A170 HydrophobicContact CG-CB 4.36Å; R166-V171 HydrophobicContact CB-CG2 3.83Å; R166-V171 HydrophobicContact CG-CG2 4.14Å; R166-W196 WeakPolarHBondContact O-CZ2 3.2Å; R166-Y220 HydrophobicContact CG-CD1 3.83Å; R166-Y220 HydrophobicContact CG-CG 4.06Å; R166-Y220 VanDerWaalsContact NE-CD1 3.35Å; R166-E221 WeakPolarHBondContact CG-OE1 3.38Å; R166-S276 PolarHBondContact NH2-O 2.98Å
167D97.6Very high97.3Very high0 Ų018.2 Ų18.20%09%0.093CC..  trans-48.4120.7172.7-169-40.6000110.5R169 A170 V171 E221 Y307 Y316D167-R169 PolarHBondContact O-N 3.08Å; D167-R169 VanDerWaalsContact O-N 3.15Å; D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.43Å; D167-R169 IonicContact OD1-CZ 3.02Å; D167-R169 PolarHBondContact OD1-N 2.63Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.48Å; D167-R169 IonicContact OD1-NH2 2.85Å; D167-R169 IonicContact OD2-CZ 2.85Å; D167-R169 IonicContact OD2-NE 2.82Å; D167-R169 PolarHBondContact OD2-NE 3.33Å; D167-R169 IonicContact OD2-NH2 3.87Å; D167-R169 PolarHBondContact OD2-NH2 2.95Å; D167-A170 HydrophobicContact CB-CB 4.21Å; D167-A170 WeakPolarHBondContact O-CA 3.41Å; D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 3.3Å; D167-V171 PolarHBondContact O-N 3.25Å; D167-E221 PolarHBondContact N-OE1 3.1Å; D167-Y307 HydrophobicContact CB-CD1 4.35Å; D167-Y307 HydrophobicContact CB-CD2 4.44Å; D167-Y307 HydrophobicContact CB-CE1 4.39Å; D167-Y307 HydrophobicContact CB-CE2 4.49Å; D167-Y307 HydrophobicContact CB-CG 4.37Å; D167-Y316 HydrophobicContact CB-CE1 4.25Å; D167-Y316 PolarHBondContact OD2-OH 3.36Å
168G97.1Very high97.1Very high0 Ų018.8 Ų18.80%09%0.088CC..Hα-helixtrans-56-33.3-177.300000112.6R166 V171 I172 W196R166-G168 PolarHBondContact O-N 3.13Å; R166-G168 VanDerWaalsContact O-N 3.14Å; G168-V171 WeakPolarHBondContact O-CB 3.3Å; G168-V171 PolarHBondContact O-N 3.26Å; G168-I172 VanDerWaalsContact O-CG1 3.31Å; G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 2.95Å; G168-W196 VanDerWaalsContact N-CZ2 3.33Å
169R96.5Very high97Very high0 Ų021.4 Ų21.40%010%0.097CC..Hα-helixtrans-65.6-42.8176.9-60.5164.9-67.7-167.3-8.5110.6D167 V171 I172 N173 F193 W280 L287 F291 I295 Y307 P314D167-R169 PolarHBondContact O-N 3.08Å; D167-R169 VanDerWaalsContact O-N 3.15Å; D167-R169 VanDerWaalsContact OD1-CB 3.32Å; D167-R169 WeakPolarHBondContact OD1-CB 3.43Å; D167-R169 IonicContact OD1-CZ 3.02Å; D167-R169 PolarHBondContact OD1-N 2.63Å; D167-R169 IonicContact OD1-NE 2.76Å; D167-R169 PolarHBondContact OD1-NE 3.48Å; D167-R169 IonicContact OD1-NH2 2.85Å; D167-R169 IonicContact OD2-CZ 2.85Å; D167-R169 IonicContact OD2-NE 2.82Å; D167-R169 PolarHBondContact OD2-NE 3.33Å; D167-R169 IonicContact OD2-NH2 3.87Å; D167-R169 PolarHBondContact OD2-NH2 2.95Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 3.31Å; R169-I172 PolarHBondContact O-N 3.23Å; R169-N173 WeakPolarHBondContact O-CB 3.2Å; R169-N173 PolarHBondContact O-N 3.33Å; R169-F193 HydrophobicContact CG-CE2 4.48Å; R169-W280 HydrophobicContact CB-CD2 3.67Å; R169-W280 HydrophobicContact CB-CE3 3.48Å; R169-W280 VanDerWaalsContact CB-CE3 3.48Å; R169-W280 HydrophobicContact CB-CG 4.29Å; R169-W280 HydrophobicContact CB-CH2 4.23Å; R169-W280 HydrophobicContact CB-CZ2 4.35Å; R169-W280 HydrophobicContact CB-CZ3 3.78Å; R169-W280 VanDerWaalsContact CD-CZ3 3.45Å; R169-W280 HydrophobicContact CG-CE3 4.3Å; R169-W280 HydrophobicContact CG-CH2 4.46Å; R169-W280 HydrophobicContact CG-CZ3 4.12Å; R169-W280 VanDerWaalsContact CZ-CH2 3.43Å; R169-W280 VanDerWaalsContact NE-CH2 3.32Å; R169-L287 HydrophobicContact CB-CD1 4.37Å; R169-L287 WeakPolarHBondContact O-CD1 3.16Å; R169-F291 HydrophobicContact CG-CE1 4.15Å; R169-I295 HydrophobicContact CG-CG2 3.73Å; R169-Y307 PolarHBondContact NH2-O 2.93Å; R169-P314 VanDerWaalsContact NH2-CG 3.26Å
170A97.4Very high96.8Very high2 Ų222.6 Ų22.62%0.01710%0.104CC..Hα-helixtrans-63.9-39.4173.900000112.5R166 D167 S174 W280R166-A170 HydrophobicContact CG-CB 4.36Å; D167-A170 HydrophobicContact CB-CB 4.21Å; D167-A170 WeakPolarHBondContact O-CA 3.41Å; D167-A170 WeakPolarHBondContact O-CB 3.49Å; D167-A170 PolarHBondContact O-N 3.3Å; A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.3Å; A170-S174 PolarHBondContact O-N 3.48Å; A170-W280 HydrophobicContact CB-CG 4.14Å
171V97.7Very high96.4Very high0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-63.2-50.5176.6171.90000111.1Y60 R62 R166 D167 G168 R169 S174 L175Y60-V171 HydrophobicContact CD1-CG1 3.62Å; Y60-V171 HydrophobicContact CE1-CG1 3.98Å; R62-V171 HydrophobicContact CB-CG1 4.33Å; R166-V171 HydrophobicContact CB-CG2 3.83Å; R166-V171 HydrophobicContact CG-CG2 4.14Å; D167-V171 PolarHBondContact O-N 3.25Å; G168-V171 WeakPolarHBondContact O-CB 3.3Å; G168-V171 PolarHBondContact O-N 3.26Å; R169-V171 VanDerWaalsContact C-N 3.35Å; R169-V171 PolarHBondContact O-N 3.31Å; V171-S174 WeakPolarHBondContact O-CB 3.49Å; V171-S174 PolarHBondContact O-N 3.32Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.91Å
172I97.1Very high96Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-66.3-43.5-178.4-59.2-39.9000110.9G168 R169 S174 L175 V176 I189 K192 F193 W196 L287G168-I172 VanDerWaalsContact O-CG1 3.31Å; G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 2.95Å; R169-I172 PolarHBondContact O-N 3.23Å; I172-S174 VanDerWaalsContact C-N 3.29Å; I172-S174 PolarHBondContact O-N 2.94Å; I172-L175 HydrophobicContact CD1-CD1 4.1Å; I172-L175 PolarHBondContact O-N 3.32Å; I172-V176 HydrophobicContact CG2-CG2 4.17Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 3.42Å; I172-I189 HydrophobicContact CG2-CG2 4.05Å; I172-K192 HydrophobicContact CD1-CB 3.98Å; I172-K192 HydrophobicContact CG2-CB 4.39Å; I172-F193 HydrophobicContact CG1-CB 4.08Å; I172-F193 HydrophobicContact CG1-CD2 4.12Å; I172-W196 HydrophobicContact CD1-CB 4.08Å; I172-L287 HydrophobicContact CB-CD2 4.38Å; I172-L287 HydrophobicContact CG2-CD2 3.9Å
173N97Very high95.4Very high4 Ų439 Ų392%0.02119%0.187CC..Hα-helixtrans-55-46.1173.7-175.855.2000111.3R169 V176 K177 W280 S285 V286 L287R169-N173 WeakPolarHBondContact O-CB 3.2Å; R169-N173 PolarHBondContact O-N 3.33Å; N173-V176 PolarHBondContact O-N 3.32Å; N173-K177 WeakPolarHBondContact O-CB 3.17Å; N173-K177 PolarHBondContact O-N 3.18Å; N173-W280 HydrophobicContact CB-CB 3.65Å; N173-W280 WeakPolarHBondContact ND2-CA 3.33Å; N173-S285 PolarHBondContact OD1-OG 3.2Å; N173-V286 WeakPolarHBondContact OD1-CG2 3.27Å; N173-V286 PolarHBondContact OD1-N 3.27Å; N173-V286 VanDerWaalsContact OD1-N 3.11Å; N173-L287 HydrophobicContact CB-CD1 3.9Å; N173-L287 HydrophobicContact CB-CD2 4.46Å; N173-L287 HydrophobicContact CB-CG 4Å
174S96.7Very high94.6Very high12 Ų1242.6 Ų42.68%0.08423%0.225CC..Hα-helixtrans-62.8-43.9178-1750000112.8R62 A170 V171 I172 R178R62-S174 PolarHBondContact NE-OG 3.43Å; A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.3Å; A170-S174 PolarHBondContact O-N 3.48Å; V171-S174 WeakPolarHBondContact O-CB 3.49Å; V171-S174 PolarHBondContact O-N 3.32Å; I172-S174 VanDerWaalsContact C-N 3.29Å; I172-S174 PolarHBondContact O-N 2.94Å; S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.31Å; S174-R178 PolarHBondContact O-N 3.43Å; S174-R178 VanDerWaalsContact O-N 3.12Å
175L96Very high94.1Very high5 Ų544 Ų443%0.02624%0.236CC..Hα-helixtrans-61-46.6177.3-76.2175.7000112.1Y60 R62 V171 I172 K179 V180 I182Y60-L175 HydrophobicContact CE1-CD1 3.91Å; R62-L175 HydrophobicContact CG-CD2 3.38Å; R62-L175 HydrophobicContact CG-CG 3.68Å; V171-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.91Å; I172-L175 HydrophobicContact CD1-CD1 4.1Å; I172-L175 PolarHBondContact O-N 3.32Å; L175-K179 WeakPolarHBondContact O-CA 3.4Å; L175-K179 PolarHBondContact O-N 2.96Å; L175-K179 VanDerWaalsContact O-N 3.08Å; L175-V180 HydrophobicContact CD2-CB 3.87Å; L175-V180 HydrophobicContact CD2-CG1 3.91Å; L175-V180 PolarHBondContact O-N 2.97Å; L175-I182 HydrophobicContact CD1-CD1 4.04Å; L175-I182 HydrophobicContact CD2-CD1 3.95Å; L175-I182 HydrophobicContact CD2-CG1 4.29Å
176V95.4Very high93.8Very high42 Ų4245.8 Ų45.826%0.25525%0.248SC..Hα-helixtrans-72.7-52.5-176.5179.90000110.5I172 N173 R178 K179 I189 K192 V286I172-V176 HydrophobicContact CG2-CG2 4.17Å; I172-V176 WeakPolarHBondContact O-CG2 3.27Å; I172-V176 PolarHBondContact O-N 3.42Å; N173-V176 PolarHBondContact O-N 3.32Å; V176-R178 VanDerWaalsContact C-N 3.27Å; V176-R178 PolarHBondContact O-N 3.03Å; V176-K179 PolarHBondContact O-N 3.2Å; V176-K179 VanDerWaalsContact O-N 3.1Å; V176-I189 HydrophobicContact CG2-CG1 4.29Å; V176-K192 HydrophobicContact CG2-CD 4.34Å; V176-V286 HydrophobicContact CB-CG2 3.62Å; V176-V286 HydrophobicContact CG1-CB 4.24Å; V176-V286 HydrophobicContact CG1-CG2 3.52Å
177K94.2Very high93.4Very high101 Ų10154.2 Ų54.244%0.43929%0.285SS..Hα-helixtrans-57.1-40.3-179-173.8177.2179.2-177.30111.7N173 V286 F340N173-K177 WeakPolarHBondContact O-CB 3.17Å; N173-K177 PolarHBondContact O-N 3.18Å; K177-V286 HydrophobicContact CB-CG1 4.17Å; K177-V286 HydrophobicContact CB-CG2 4.23Å; K177-V286 HydrophobicContact CG-CG1 4.41Å; K177-F340 PolarHBondContact NZ-O 2.9Å
178R92.9Very high93.2Very high73 Ų7359.4 Ų59.428%0.27531%0.312SS..THydrogen-bonded Turntrans-94.85-178.7-61.3-178.4177.9-90.2-7.6114.3S174 V176 V180 Q267 I339S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.31Å; S174-R178 PolarHBondContact O-N 3.43Å; S174-R178 VanDerWaalsContact O-N 3.12Å; V176-R178 VanDerWaalsContact C-N 3.27Å; V176-R178 PolarHBondContact O-N 3.03Å; R178-V180 HydrophobicContact CB-CG2 3.95Å; R178-V180 PolarHBondContact O-N 2.98Å; R178-V180 VanDerWaalsContact O-N 3.13Å; R178-Q267 VanDerWaalsContact CZ-CD 3.45Å; R178-I339 PolarHBondContact NH2-O 2.78Å
179K93.1Very high93.1Very high182 Ų18261 Ų6179%0.79132%0.32SS*.THydrogen-bonded Turntrans50.935.7-179.2-56.4179.9-178.7178.50113.3L175 V176 T181L175-K179 WeakPolarHBondContact O-CA 3.4Å; L175-K179 PolarHBondContact O-N 2.96Å; L175-K179 VanDerWaalsContact O-N 3.08Å; V176-K179 PolarHBondContact O-N 3.2Å; V176-K179 VanDerWaalsContact O-N 3.1Å; K179-T181 PolarHBondContact O-N 3.27Å
180V92.4Very high93Very high26 Ų2665 Ų6516%0.15834%0.341CS..  trans-78.2119.6179.3176.40000108.8L175 R178 P263L175-V180 HydrophobicContact CD2-CB 3.87Å; L175-V180 HydrophobicContact CD2-CG1 3.91Å; L175-V180 PolarHBondContact O-N 2.97Å; R178-V180 HydrophobicContact CB-CG2 3.95Å; R178-V180 PolarHBondContact O-N 2.98Å; R178-V180 VanDerWaalsContact O-N 3.13Å; V180-P263 HydrophobicContact CG1-CG 4.44Å; V180-P263 HydrophobicContact CG2-CB 3.77Å; V180-P263 HydrophobicContact CG2-CG 4.13Å
181T90.6Very high92.9Very high133 Ų13369.2 Ų69.282%0.81636%0.361SS*.  trans-93.7133.5-179.155.80000111K179K179-T181 PolarHBondContact O-N 3.27Å
182I90.2Very high92.9Very high19 Ų1971 Ų7110%0.09737%0.369CS..  trans-110.3124.5169.7-61.1170.5000106.4Y60 P61 L144 L175 G184 A185Y60-I182 HydrophobicContact CD1-CD1 4.4Å; Y60-I182 HydrophobicContact CE1-CD1 3.69Å; P61-I182 HydrophobicContact CB-CD1 3.94Å; P61-I182 HydrophobicContact CB-CG1 4.34Å; P61-I182 HydrophobicContact CG-CD1 3.71Å; P61-I182 HydrophobicContact CG-CG1 4.07Å; L144-I182 HydrophobicContact CD1-CG2 4.02Å; L175-I182 HydrophobicContact CD1-CD1 4.04Å; L175-I182 HydrophobicContact CD2-CD1 3.95Å; L175-I182 HydrophobicContact CD2-CG1 4.29Å; I182-G184 PolarHBondContact O-N 3.19Å; I182-A185 HydrophobicContact CB-CB 3.75Å; I182-A185 HydrophobicContact CG2-CB 4.13Å; I182-A185 VanDerWaalsContact O-CB 3.27Å; I182-A185 WeakPolarHBondContact O-CB 3.4Å; I182-A185 PolarHBondContact O-N 3.14Å
183K85.6Confident92.9Very high207 Ų20771.1 Ų71.190%0.937%0.369SS*.THydrogen-bonded Turntrans-57.2128.6-178.5-172.6179.3179.5-177.90110.1A185K183-A185 PolarHBondContact O-N 3.36Å
184G83.9Confident92.8Very high77 Ų7775.2 Ų75.279%0.79439%0.387SS*.THydrogen-bonded Turntrans73.24.1-178.700000114.9I182I182-G184 PolarHBondContact O-N 3.19Å
185A87.4Confident92.8Very high29 Ų2975.5 Ų75.524%0.2439%0.39CS..  trans-76.3146.8170.600000110.7I182 K183I182-A185 HydrophobicContact CB-CB 3.75Å; I182-A185 HydrophobicContact CG2-CB 4.13Å; I182-A185 VanDerWaalsContact O-CB 3.27Å; I182-A185 WeakPolarHBondContact O-CB 3.4Å; I182-A185 PolarHBondContact O-N 3.14Å; K183-A185 PolarHBondContact O-N 3.36Å
186P91.5Very high92.9Very high38 Ų3875.3 Ų75.325%0.24739%0.389CS..  trans-67170.5177.825.9-33.3000112.9E191 K192 A195P186-E191 HydrophobicContact CB-CB 3.39Å; P186-E191 HydrophobicContact CB-CG 4.32Å; P186-E191 VanDerWaalsContact CB-OE2 3.24Å; P186-E191 WeakPolarHBondContact CB-OE2 3.49Å; P186-E191 HydrophobicContact CG-CB 3.5Å; P186-E191 WeakPolarHBondContact CG-O 3.39Å; P186-K192 HydrophobicContact CG-CG 4.23Å; P186-K192 WeakPolarHBondContact O-CE 3.33Å; P186-K192 VanDerWaalsContact O-CG 3.28Å; P186-K192 WeakPolarHBondContact O-CG 3.23Å; P186-A195 HydrophobicContact CG-CB 4.1Å
187K90.1Very high92.9Very high189 Ų18974.4 Ų74.482%0.82238%0.382SS*.SBendtrans-93.9-40.8-176.3-69-176.8-179176.80112.7K192K187-K192 WeakPolarHBondContact O-CE 3.22Å; K187-K192 PolarHBondContact O-NZ 3.05Å
188L94.6Very high93Very high109 Ų10975.1 Ų75.157%0.57139%0.39SS*.SBendtrans-73.6152.7-175.3-58.5178.5000111.5E191 K192L188-E191 HydrophobicContact CB-CB 4.29Å; L188-E191 HydrophobicContact CB-CG 3.97Å; L188-E191 HydrophobicContact CD1-CG 4.42Å; L188-K192 WeakPolarHBondContact O-CB 3.46Å; L188-K192 VanDerWaalsContact O-CG 3.23Å; L188-K192 WeakPolarHBondContact O-CG 3.39Å; L188-K192 PolarHBondContact O-N 2.82Å
189I95.4Very high93.2Very high34 Ų3474 Ų7417%0.17439%0.386CS..Hα-helixtrans-61.4-49.4-176.2-72.4175.3000110.8I172 V176 K192 F193 L287 P288 F291I172-I189 HydrophobicContact CG2-CG2 4.05Å; V176-I189 HydrophobicContact CG2-CG1 4.29Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 PolarHBondContact O-N 2.97Å; I189-F193 PolarHBondContact O-N 3.01Å; I189-L287 HydrophobicContact CD1-CD2 4.26Å; I189-L287 HydrophobicContact CG2-CD2 3.85Å; I189-P288 HydrophobicContact CD1-CG 4.31Å; I189-F291 HydrophobicContact CG2-CD1 4.32Å; I189-F291 HydrophobicContact CG2-CD2 3.81Å; I189-F291 HydrophobicContact CG2-CE1 4.33Å; I189-F291 HydrophobicContact CG2-CE2 3.8Å; I189-F291 HydrophobicContact CG2-CG 4.06Å; I189-F291 HydrophobicContact CG2-CZ 4.07Å
190D94.6Very high93.5Very high83 Ų8365.4 Ų65.444%0.44435%0.349SS..Hα-helixtrans-64-46.4-177.8-53.7-17.5000110.7K192 F193 F194 F291D190-K192 VanDerWaalsContact C-N 3.29Å; D190-K192 PolarHBondContact O-N 3.44Å; D190-F193 WeakPolarHBondContact O-CA 3.27Å; D190-F193 WeakPolarHBondContact O-CB 3.34Å; D190-F193 PolarHBondContact O-N 3.32Å; D190-F194 HydrophobicContact CB-CE2 4.23Å; D190-F194 WeakPolarHBondContact O-CD2 3.48Å; D190-F194 PolarHBondContact O-N 3.44Å; D190-F291 WeakPolarHBondContact OD1-CD2 3.45Å
191E95.2Very high93.7Very high90 Ų9064.9 Ų64.942%0.42135%0.349SS..Hα-helixtrans-60.2-38.9175.5-61178.1156.800112P186 L188 F193 F194 A195P186-E191 HydrophobicContact CB-CB 3.39Å; P186-E191 HydrophobicContact CB-CG 4.32Å; P186-E191 VanDerWaalsContact CB-OE2 3.24Å; P186-E191 WeakPolarHBondContact CB-OE2 3.49Å; P186-E191 HydrophobicContact CG-CB 3.5Å; P186-E191 WeakPolarHBondContact CG-O 3.39Å; L188-E191 HydrophobicContact CB-CB 4.29Å; L188-E191 HydrophobicContact CB-CG 3.97Å; L188-E191 HydrophobicContact CD1-CG 4.42Å; E191-F193 VanDerWaalsContact C-N 3.32Å; E191-F194 PolarHBondContact O-N 3.01Å; E191-A195 WeakPolarHBondContact O-CB 3.48Å; E191-A195 PolarHBondContact O-N 3.15Å
192K96.4Very high94.1Very high39 Ų3963.1 Ų63.117%0.1733%0.331CS..Hα-helixtrans-65.2-38.4175.2-77.1175.5-179.9-179.90111.3I172 V176 P186 K187 L188 I189 D190 A195 W196I172-K192 HydrophobicContact CD1-CB 3.98Å; I172-K192 HydrophobicContact CG2-CB 4.39Å; V176-K192 HydrophobicContact CG2-CD 4.34Å; P186-K192 HydrophobicContact CG-CG 4.23Å; P186-K192 WeakPolarHBondContact O-CE 3.33Å; P186-K192 VanDerWaalsContact O-CG 3.28Å; P186-K192 WeakPolarHBondContact O-CG 3.23Å; K187-K192 WeakPolarHBondContact O-CE 3.22Å; K187-K192 PolarHBondContact O-NZ 3.05Å; L188-K192 WeakPolarHBondContact O-CB 3.46Å; L188-K192 VanDerWaalsContact O-CG 3.23Å; L188-K192 WeakPolarHBondContact O-CG 3.39Å; L188-K192 PolarHBondContact O-N 2.82Å; I189-K192 WeakPolarHBondContact O-CB 3.31Å; I189-K192 PolarHBondContact O-N 2.97Å; D190-K192 VanDerWaalsContact C-N 3.29Å; D190-K192 PolarHBondContact O-N 3.44Å; K192-A195 PolarHBondContact O-N 2.93Å; K192-W196 PolarHBondContact O-N 3Å
193F96.9Very high94.5Very high1 Ų162.3 Ų62.30%0.00433%0.328CS..Hα-helixtrans-64.7-47.5174.9-175.8-89.1000111.2R169 I172 I189 D190 E191 A195 W196 E197 F291 I295 L302R169-F193 HydrophobicContact CG-CE2 4.48Å; I172-F193 HydrophobicContact CG1-CB 4.08Å; I172-F193 HydrophobicContact CG1-CD2 4.12Å; I189-F193 PolarHBondContact O-N 3.01Å; D190-F193 WeakPolarHBondContact O-CA 3.27Å; D190-F193 WeakPolarHBondContact O-CB 3.34Å; D190-F193 PolarHBondContact O-N 3.32Å; E191-F193 VanDerWaalsContact C-N 3.32Å; F193-A195 VanDerWaalsContact C-N 3.28Å; F193-A195 PolarHBondContact O-N 3.29Å; F193-W196 HydrophobicContact CD2-CE3 4.04Å; F193-W196 HydrophobicContact CD2-CZ3 4.45Å; F193-W196 HydrophobicContact CE1-CE3 4.33Å; F193-W196 HydrophobicContact CE1-CZ3 4.25Å; F193-W196 AromaticContact CE2-CE3 3.71Å; F193-W196 HydrophobicContact CE2-CE3 3.71Å; F193-W196 AromaticContact CE2-CZ3 3.67Å; F193-W196 HydrophobicContact CE2-CZ3 3.67Å; F193-W196 AromaticContact CZ-CE3 3.86Å; F193-W196 HydrophobicContact CZ-CE3 3.86Å; F193-W196 AromaticContact CZ-CZ3 3.55Å; F193-W196 HydrophobicContact CZ-CZ3 3.55Å; F193-W196 CarbonylContact O-C 3.37Å; F193-W196 WeakPolarHBondContact O-CA 3.36Å; F193-W196 WeakPolarHBondContact O-CB 3.5Å; F193-W196 PolarHBondContact O-N 3.16Å; F193-E197 HydrophobicContact CE1-CB 4.49Å; F193-E197 WeakPolarHBondContact O-CB 3.38Å; F193-E197 PolarHBondContact O-N 3.08Å; F193-F291 HydrophobicContact CB-CE2 3.8Å; F193-F291 HydrophobicContact CB-CZ 3.76Å; F193-F291 HydrophobicContact CD2-CE2 4.29Å; F193-F291 AromaticContact CD2-CZ 3.58Å; F193-F291 HydrophobicContact CD2-CZ 3.58Å; F193-F291 HydrophobicContact CE2-CZ 4.38Å; F193-F291 HydrophobicContact CG-CE2 4.02Å; F193-F291 AromaticContact CG-CZ 3.76Å; F193-F291 HydrophobicContact CG-CZ 3.76Å; F193-I295 HydrophobicContact CD1-CD1 3.64Å; F193-I295 HydrophobicContact CD1-CG1 3.52Å; F193-I295 HydrophobicContact CD2-CG1 4.09Å; F193-I295 HydrophobicContact CE1-CD1 3.81Å; F193-I295 HydrophobicContact CE1-CG1 3.39Å; F193-I295 HydrophobicContact CE2-CG1 3.94Å; F193-I295 HydrophobicContact CE2-CG2 4.45Å; F193-I295 HydrophobicContact CG-CD1 4.24Å; F193-I295 HydrophobicContact CG-CG1 3.87Å; F193-I295 HydrophobicContact CZ-CG1 3.6Å; F193-L302 HydrophobicContact CE2-CD1 3.98Å; F193-L302 HydrophobicContact CE2-CG 4.48Å; F193-L302 HydrophobicContact CZ-CD1 3.6Å; F193-L302 HydrophobicContact CZ-CG 4.02Å
194F96Very high95.1Very high91 Ų9153.7 Ų53.740%0.39929%0.291SS..Hα-helixtrans-60.3-37.2174.5-69.4-59000112.5D190 E191 E197 N198D190-F194 HydrophobicContact CB-CE2 4.23Å; D190-F194 WeakPolarHBondContact O-CD2 3.48Å; D190-F194 PolarHBondContact O-N 3.44Å; E191-F194 PolarHBondContact O-N 3.01Å; F194-E197 PolarHBondContact O-N 3.29Å; F194-N198 WeakPolarHBondContact O-CB 3.41Å; F194-N198 PolarHBondContact O-N 2.8Å; F194-N198 PolarHBondContact O-ND2 3.28Å
195A96.3Very high95.8Very high18 Ų1857.8 Ų57.815%0.14929%0.287CS..Hα-helixtrans-66.9-35.8173.500000112.7P186 E191 K192 F193 R199P186-A195 HydrophobicContact CG-CB 4.1Å; E191-A195 WeakPolarHBondContact O-CB 3.48Å; E191-A195 PolarHBondContact O-N 3.15Å; K192-A195 PolarHBondContact O-N 2.93Å; F193-A195 VanDerWaalsContact C-N 3.28Å; F193-A195 PolarHBondContact O-N 3.29Å; A195-R199 WeakPolarHBondContact O-CB 3.34Å; A195-R199 WeakPolarHBondContact O-CG 3.38Å; A195-R199 PolarHBondContact O-N 2.68Å
196W97.1Very high96.3Very high0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-64.3-50.5171.2164.888.3000110.9Y60 R166 G168 I172 K192 F193 N198 R199 V200 V301 L302Y60-W196 HydrophobicContact CD1-CB 4.44Å; Y60-W196 AromaticContact CD1-CD1 3.7Å; Y60-W196 HydrophobicContact CD1-CG 4.48Å; Y60-W196 HydrophobicContact CD2-CB 4.48Å; Y60-W196 HydrophobicContact CE1-CB 4.06Å; Y60-W196 HydrophobicContact CE2-CB 4.15Å; Y60-W196 AromaticContact CG-CD1 3.71Å; R166-W196 WeakPolarHBondContact O-CZ2 3.2Å; G168-W196 VanDerWaalsContact N-CZ2 3.33Å; I172-W196 HydrophobicContact CD1-CB 4.08Å; K192-W196 PolarHBondContact O-N 3Å; F193-W196 HydrophobicContact CD2-CE3 4.04Å; F193-W196 HydrophobicContact CD2-CZ3 4.45Å; F193-W196 HydrophobicContact CE1-CE3 4.33Å; F193-W196 HydrophobicContact CE1-CZ3 4.25Å; F193-W196 AromaticContact CE2-CE3 3.71Å; F193-W196 HydrophobicContact CE2-CE3 3.71Å; F193-W196 AromaticContact CE2-CZ3 3.67Å; F193-W196 HydrophobicContact CE2-CZ3 3.67Å; F193-W196 AromaticContact CZ-CE3 3.86Å; F193-W196 HydrophobicContact CZ-CE3 3.86Å; F193-W196 AromaticContact CZ-CZ3 3.55Å; F193-W196 HydrophobicContact CZ-CZ3 3.55Å; F193-W196 CarbonylContact O-C 3.37Å; F193-W196 WeakPolarHBondContact O-CA 3.36Å; F193-W196 WeakPolarHBondContact O-CB 3.5Å; F193-W196 PolarHBondContact O-N 3.16Å; W196-N198 PolarHBondContact O-N 3.34Å; W196-R199 PolarHBondContact O-N 2.67Å; W196-V200 HydrophobicContact CD2-CG2 4.4Å; W196-V200 HydrophobicContact CG-CG2 4.3Å; W196-V200 HydrophobicContact CZ2-CG2 4.43Å; W196-V200 WeakPolarHBondContact O-CB 3.32Å; W196-V200 WeakPolarHBondContact O-CG2 3.47Å; W196-V200 PolarHBondContact O-N 3.11Å; W196-V301 HydrophobicContact CH2-CB 4.16Å; W196-V301 HydrophobicContact CH2-CG1 3.57Å; W196-V301 HydrophobicContact CZ2-CG1 4.07Å; W196-V301 HydrophobicContact CZ3-CB 4.26Å; W196-V301 HydrophobicContact CZ3-CG1 4.09Å; W196-L302 HydrophobicContact CH2-CD2 3.6Å; W196-L302 HydrophobicContact CH2-CG 3.96Å; W196-L302 HydrophobicContact CZ2-CD2 4.44Å; W196-L302 HydrophobicContact CZ3-CD2 4.17Å; W196-L302 HydrophobicContact CZ3-CG 4.13Å
197E97Very high96.6Very high23 Ų2355 Ų5511%0.10727%0.267CS..Hα-helixtrans-58.3-52-178173.5157-123.900111.4F193 F194 R199 V200 G201 S299 D300 V301F193-E197 HydrophobicContact CE1-CB 4.49Å; F193-E197 WeakPolarHBondContact O-CB 3.38Å; F193-E197 PolarHBondContact O-N 3.08Å; F194-E197 PolarHBondContact O-N 3.29Å; E197-R199 VanDerWaalsContact C-N 3.32Å; E197-R199 PolarHBondContact O-N 2.92Å; E197-V200 PolarHBondContact O-N 2.96Å; E197-G201 PolarHBondContact O-N 3.06Å; E197-S299 WeakPolarHBondContact OE1-CA 3.19Å; E197-S299 VanDerWaalsContact OE1-CB 3.24Å; E197-S299 WeakPolarHBondContact OE1-CB 3.43Å; E197-S299 PolarHBondContact OE1-OG 3.28Å; E197-D300 PolarHBondContact OE1-N 3.11Å; E197-V301 HydrophobicContact CG-CB 4.1Å; E197-V301 HydrophobicContact CG-CG2 3.79Å; E197-V301 WeakPolarHBondContact O-CG2 3.49Å; E197-V301 PolarHBondContact OE1-N 3.07Å
198N96.7Very high97Very high116 Ų11651.5 Ų51.562%0.6226%0.261SS*.Hα-helixtrans-58-44.1178.8-76.1-40.8000112.4F194 W196 Q202F194-N198 WeakPolarHBondContact O-CB 3.41Å; F194-N198 PolarHBondContact O-N 2.8Å; F194-N198 PolarHBondContact O-ND2 3.28Å; W196-N198 PolarHBondContact O-N 3.34Å; N198-Q202 WeakPolarHBondContact O-CB 3.05Å; N198-Q202 PolarHBondContact O-N 3.19Å
199R96.5Very high97.2Very high51 Ų5149.7 Ų49.719%0.19226%0.262CS..Hα-helixtrans-72.5-45.2-178.5-71-167.5-166.3143.8-3.7112.3Y60 A195 W196 E197 Q202 I203Y60-R199 HydrophobicContact CD2-CB 3.92Å; Y60-R199 HydrophobicContact CE2-CB 4.04Å; Y60-R199 HydrophobicContact CE2-CG 4.3Å; A195-R199 WeakPolarHBondContact O-CB 3.34Å; A195-R199 WeakPolarHBondContact O-CG 3.38Å; A195-R199 PolarHBondContact O-N 2.68Å; W196-R199 PolarHBondContact O-N 2.67Å; E197-R199 VanDerWaalsContact C-N 3.32Å; E197-R199 PolarHBondContact O-N 2.92Å; R199-Q202 PolarHBondContact O-N 3.34Å; R199-I203 WeakPolarHBondContact O-CG1 3.31Å; R199-I203 PolarHBondContact O-N 2.86Å
200V98.1Very high97.3Very high0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-65.4-42.4178.7173.80000110.3Y60 V165 W196 E197 Q202 I203 L204 V301 L305Y60-V200 HydrophobicContact CD2-CG2 4.5Å; Y60-V200 HydrophobicContact CG-CG2 4.48Å; V165-V200 HydrophobicContact CG1-CG1 4.15Å; W196-V200 HydrophobicContact CD2-CG2 4.4Å; W196-V200 HydrophobicContact CG-CG2 4.3Å; W196-V200 HydrophobicContact CZ2-CG2 4.43Å; W196-V200 WeakPolarHBondContact O-CB 3.32Å; W196-V200 WeakPolarHBondContact O-CG2 3.47Å; W196-V200 PolarHBondContact O-N 3.11Å; E197-V200 PolarHBondContact O-N 2.96Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.03Å; V200-I203 PolarHBondContact O-N 3.47Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 WeakPolarHBondContact O-CB 3.05Å; V200-L204 VanDerWaalsContact O-CG 3.29Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 2.99Å; V200-V301 HydrophobicContact CB-CG1 4.12Å; V200-V301 HydrophobicContact CG1-CG1 3.66Å; V200-L305 HydrophobicContact CG1-CD1 4.16Å
201G98.1Very high97.5Very high16 Ų1646 Ų4617%0.16525%0.247CC..Hα-helixtrans-58.6-41.9174.400000112.8E197 K205E197-G201 PolarHBondContact O-N 3.06Å; G201-K205 WeakPolarHBondContact O-CG 3.45Å; G201-K205 PolarHBondContact O-N 3.25Å
202Q97.8Very high97.6Very high95 Ų9547.2 Ų47.244%0.44426%0.263SS..Hα-helixtrans-63.3-48.8173.8-175.4-176.1-000111.8N198 R199 V200 L204 K205 S206N198-Q202 WeakPolarHBondContact O-CB 3.05Å; N198-Q202 PolarHBondContact O-N 3.19Å; R199-Q202 PolarHBondContact O-N 3.34Å; V200-Q202 VanDerWaalsContact C-N 3.33Å; V200-Q202 PolarHBondContact O-N 3.03Å; Q202-L204 VanDerWaalsContact C-N 3.32Å; Q202-L204 PolarHBondContact O-N 3.14Å; Q202-K205 WeakPolarHBondContact O-CB 3.5Å; Q202-K205 PolarHBondContact O-N 2.87Å; Q202-S206 PolarHBondContact O-N 3.21Å; Q202-S206 PolarHBondContact O-OG 3.33Å
203I98.4Very high97.7Very high3 Ų353.8 Ų53.82%0.01529%0.291CS..Hα-helixtrans-66.5-35.7-177.2-62.2165.8000111.2F146 L149 H163 R199 V200 S206 C207F146-I203 HydrophobicContact CB-CD1 3.98Å; F146-I203 HydrophobicContact CB-CG1 4.25Å; F146-I203 HydrophobicContact CB-CG2 3.95Å; F146-I203 HydrophobicContact CD1-CG2 3.8Å; F146-I203 HydrophobicContact CG-CG2 4.39Å; L149-I203 HydrophobicContact CD2-CG2 4.15Å; H163-I203 VanDerWaalsContact CD2-CG2 3.44Å; H163-I203 WeakPolarHBondContact CD2-CG2 3.18Å; H163-I203 VanDerWaalsContact NE2-CG2 3.29Å; H163-I203 WeakPolarHBondContact NE2-CG2 3.47Å; R199-I203 WeakPolarHBondContact O-CG1 3.31Å; R199-I203 PolarHBondContact O-N 2.86Å; V200-I203 PolarHBondContact O-N 3.47Å; I203-S206 PolarHBondContact O-N 2.86Å; I203-C207 WeakPolarHBondContact O-CB 3.29Å; I203-C207 PolarHBondContact O-N 3.09Å
204L98.5Very high97.8Very high25 Ų2556.8 Ų56.813%0.13130%0.302CS..Hα-helixtrans-57.9-48.8172.4-76.3170.6000111.1V165 V200 Q202 S206 C207 T208 T217 V301 T304 L305V165-L204 HydrophobicContact CG1-CD2 4.27Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 WeakPolarHBondContact O-CB 3.05Å; V200-L204 VanDerWaalsContact O-CG 3.29Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 2.99Å; Q202-L204 VanDerWaalsContact C-N 3.32Å; Q202-L204 PolarHBondContact O-N 3.14Å; L204-S206 PolarHBondContact O-N 2.81Å; L204-C207 PolarHBondContact O-N 3.2Å; L204-T208 PolarHBondContact O-N 3.18Å; L204-T208 PolarHBondContact O-OG1 3.43Å; L204-T208 VanDerWaalsContact O-OG1 3.13Å; L204-T217 HydrophobicContact CD2-CG2 3.98Å; L204-V301 HydrophobicContact CD1-CG1 4.34Å; L204-T304 HydrophobicContact CD1-CG2 4.43Å; L204-L305 HydrophobicContact CD1-CD1 4.4Å; L204-L305 HydrophobicContact CD1-CD2 4.01Å; L204-L305 HydrophobicContact CD1-CG 4.19Å; L204-L305 HydrophobicContact CD2-CD2 4.09Å
205K98.4Very high97.9Very high163 Ų16352.8 Ų52.871%0.70929%0.286SS*.Hα-helixtrans-60.3-45.7176.3-69.4175-178.2-1800111.6G201 Q202 C207 T208 A209G201-K205 WeakPolarHBondContact O-CG 3.45Å; G201-K205 PolarHBondContact O-N 3.25Å; Q202-K205 WeakPolarHBondContact O-CB 3.5Å; Q202-K205 PolarHBondContact O-N 2.87Å; K205-C207 PolarHBondContact O-N 3.46Å; K205-T208 PolarHBondContact O-N 3.26Å; K205-A209 WeakPolarHBondContact O-CB 3.46Å; K205-A209 PolarHBondContact O-N 2.94Å
206S98.5Very high98Very high4 Ų453.3 Ų53.33%0.02829%0.289CS..Hα-helixtrans-62.7-39.9177.2-66.50000112.6E150 Q202 I203 L204 A209 V210E150-S206 WeakPolarHBondContact OE1-CA 3.49Å; E150-S206 VanDerWaalsContact OE1-CB 3.32Å; E150-S206 WeakPolarHBondContact OE1-CB 3.29Å; E150-S206 PolarHBondContact OE1-OG 2.03Å; Q202-S206 PolarHBondContact O-N 3.21Å; Q202-S206 PolarHBondContact O-OG 3.33Å; I203-S206 PolarHBondContact O-N 2.86Å; L204-S206 PolarHBondContact O-N 2.81Å; S206-A209 PolarHBondContact O-N 2.82Å; S206-V210 WeakPolarHBondContact O-CG2 3.21Å; S206-V210 PolarHBondContact O-N 3.21Å
207C98.5Very high98.1Very high6 Ų656 Ų564%0.04131%0.305CS..Hα-helixtrans-65.6-42.4177.3-171.30000111.3L149 I203 L204 K205 A209 V210 G211 C215 T217L149-C207 HydrophobicContact CD2-CB 3.83Å; I203-C207 WeakPolarHBondContact O-CB 3.29Å; I203-C207 PolarHBondContact O-N 3.09Å; L204-C207 PolarHBondContact O-N 3.2Å; K205-C207 PolarHBondContact O-N 3.46Å; C207-A209 VanDerWaalsContact C-N 3.33Å; C207-A209 PolarHBondContact O-N 3.47Å; C207-V210 PolarHBondContact O-N 3.35Å; C207-G211 PolarHBondContact O-N 3.26Å; C207-G211 VanDerWaalsContact O-N 3.09Å; C207-C215 WeakPolarHBondContact CA-SG 3.4Å; C207-C215 HydrophobicContact CB-CB 4.08Å; C207-C215 WeakPolarHBondContact CB-SG 3.44Å; C207-C215 WeakPolarHBondContact SG-CB 3.33Å; C207-C215 CovalentContact SG-SG 2.03Å; C207-C215 PolarHBondContact SG-SG 2.98Å; C207-T217 PolarHBondContact SG-OG1 3.12Å; C207-T217 VanDerWaalsContact SG-OG1 3.33Å
208T98.2Very high98.2Very high114 Ų11455.4 Ų55.470%0.69930%0.302SS*.Hα-helixtrans-60.2-42171.9-59.50000111.7L204 K205 G211L204-T208 PolarHBondContact O-N 3.18Å; L204-T208 PolarHBondContact O-OG1 3.43Å; L204-T208 VanDerWaalsContact O-OG1 3.13Å; K205-T208 PolarHBondContact O-N 3.26Å; T208-G211 WeakPolarHBondContact O-CA 3.32Å; T208-G211 PolarHBondContact O-N 3.01Å
209A98.5Very high98.3Very high71 Ų7152.8 Ų52.859%0.58729%0.286SS*.Hα-helixtrans-66-37.4178.300000113.1E150 K205 S206 C207 G211E150-A209 HydrophobicContact CG-CB 4.49Å; K205-A209 WeakPolarHBondContact O-CB 3.46Å; K205-A209 PolarHBondContact O-N 2.94Å; S206-A209 PolarHBondContact O-N 2.82Å; C207-A209 VanDerWaalsContact C-N 3.33Å; C207-A209 PolarHBondContact O-N 3.47Å; A209-G211 VanDerWaalsContact C-N 3.26Å; A209-G211 PolarHBondContact O-N 3.48Å
210V98.5Very high98.4Very high25 Ų2551 Ų5115%0.15228%0.279CS..Hα-helixtrans-66.1-31173.3169.80000111.8L149 E150 A153 F161 S206 C207 R214 C215L149-V210 HydrophobicContact CG-CG2 4.24Å; E150-V210 HydrophobicContact CG-CG2 4.44Å; A153-V210 HydrophobicContact CB-CB 4.38Å; A153-V210 HydrophobicContact CB-CG1 3.96Å; A153-V210 HydrophobicContact CB-CG2 3.49Å; A153-V210 VanDerWaalsContact CB-CG2 3.49Å; F161-V210 HydrophobicContact CD2-CG1 4.05Å; F161-V210 HydrophobicContact CE2-CG1 4.42Å; S206-V210 WeakPolarHBondContact O-CG2 3.21Å; S206-V210 PolarHBondContact O-N 3.21Å; C207-V210 PolarHBondContact O-N 3.35Å; V210-R214 HydrophobicContact CG1-CB 3.64Å; V210-C215 HydrophobicContact CB-CB 4.07Å; V210-C215 HydrophobicContact CG1-CB 3.86Å
211G98.3Very high98.4Very high15 Ų1551.2 Ų51.216%0.15528%0.28CS..  trans92.8156.7171.100000114.5C207 T208 A209 K213 R214 C215C207-G211 PolarHBondContact O-N 3.26Å; C207-G211 VanDerWaalsContact O-N 3.09Å; T208-G211 WeakPolarHBondContact O-CA 3.32Å; T208-G211 PolarHBondContact O-N 3.01Å; A209-G211 VanDerWaalsContact C-N 3.26Å; A209-G211 PolarHBondContact O-N 3.48Å; G211-K213 PolarHBondContact O-N 3.3Å; G211-K213 VanDerWaalsContact O-N 3.14Å; G211-R214 PolarHBondContact O-N 2.8Å; G211-C215 PolarHBondContact O-N 3.43Å
212P97.9Very high98.4Very high115 Ų11552.6 Ų52.675%0.74729%0.287SS*.THydrogen-bonded Turntrans-67.9-19.2-167.127-36.3000114.3R214 F237P212-R214 VanDerWaalsContact C-N 3.25Å; P212-R214 PolarHBondContact O-N 3.48Å; P212-F237 WeakPolarHBondContact O-CE2 3.36Å
213K98.1Very high98.5Very high178 Ų17848.1 Ų48.177%0.77427%0.266SS*.THydrogen-bonded Turntrans-72.7-19.9174.3-67.3-174.8177.5-175.80113.1G211G211-K213 PolarHBondContact O-N 3.3Å; G211-K213 VanDerWaalsContact O-N 3.14Å
214R98.2Very high98.5Very high63 Ų6348 Ų4824%0.23827%0.266CS..THydrogen-bonded Turntrans-127.3-22.5-171.4-69.3-17563.9-158.9-2.3113.8A153 F156 P157 A159 K160 F161 V210 G211 P212A153-R214 PolarHBondContact O-NH1 3.42Å; A153-R214 PolarHBondContact O-NH2 2.92Å; F156-R214 PolarHBondContact O-NH2 3.34Å; P157-R214 PolarHBondContact O-NE 3.22Å; P157-R214 PolarHBondContact O-NH1 2.85Å; P157-R214 PolarHBondContact O-NH2 2.87Å; A159-R214 PolarHBondContact O-NE 3.01Å; K160-R214 CarbonylContact C-O 3.58Å; K160-R214 WeakPolarHBondContact CA-O 3.35Å; F161-R214 WeakPolarHBondContact CD2-O 3.31Å; F161-R214 PolarHBondContact N-O 3.13Å; V210-R214 HydrophobicContact CG1-CB 3.64Å; G211-R214 PolarHBondContact O-N 2.8Å; P212-R214 VanDerWaalsContact C-N 3.25Å; P212-R214 PolarHBondContact O-N 3.48Å
215C98.8Very high98.5Very high8 Ų847 Ų475%0.05426%0.261CS..EExtended strand (participates in β ladder)trans-127.4126.5174.8-167.50000111.7F161 C207 V210 G211F161-C215 HydrophobicContact CB-CB 4.08Å; F161-C215 CarbonylContact O-C 3.58Å; F161-C215 WeakPolarHBondContact O-CA 3.5Å; C207-C215 WeakPolarHBondContact CA-SG 3.4Å; C207-C215 HydrophobicContact CB-CB 4.08Å; C207-C215 WeakPolarHBondContact CB-SG 3.44Å; C207-C215 WeakPolarHBondContact SG-CB 3.33Å; C207-C215 CovalentContact SG-SG 2.03Å; C207-C215 PolarHBondContact SG-SG 2.98Å; V210-C215 HydrophobicContact CB-CB 4.07Å; V210-C215 HydrophobicContact CG1-CB 3.86Å; G211-C215 PolarHBondContact O-N 3.43Å
216S98.6Very high98.5Very high29 Ų2944.4 Ų44.420%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-116.3127.5174.31790000109.9F161 V162 H163F161-S216 PolarHBondContact O-N 3.47Å; V162-S216 WeakPolarHBondContact CA-O 3.21Å; H163-S216 PolarHBondContact N-O 2.88Å
217T98.7Very high98.5Very high55 Ų5544.4 Ų44.434%0.33725%0.246SC..EExtended strand (participates in β ladder)trans-97.4122.5174.3-670000109.7H163 V165 L204 C207H163-T217 PolarHBondContact ND1-OG1 2.84Å; H163-T217 VanDerWaalsContact ND1-OG1 3.16Å; H163-T217 CarbonylContact O-C 3.58Å; H163-T217 VanDerWaalsContact O-CA 3.32Å; H163-T217 WeakPolarHBondContact O-CA 3.28Å; V165-T217 HydrophobicContact CB-CG2 4.41Å; V165-T217 HydrophobicContact CG1-CG2 3.77Å; V165-T217 HydrophobicContact CG2-CG2 3.74Å; L204-T217 HydrophobicContact CD2-CG2 3.98Å; C207-T217 PolarHBondContact SG-OG1 3.12Å; C207-T217 VanDerWaalsContact SG-OG1 3.33Å
218I98.7Very high98.4Very high12 Ų1244.8 Ų44.86%0.06225%0.249CC..EExtended strand (participates in β ladder)trans-116.8123.5-177.8-63.9-179.9000109.7M68 V162 H163 M164 V165 L223 V230 L234M68-I218 HydrophobicContact CE-CB 4.32Å; M68-I218 HydrophobicContact CE-CD1 3.56Å; M68-I218 HydrophobicContact CE-CG2 3.94Å; V162-I218 HydrophobicContact CG1-CD1 3.95Å; H163-I218 PolarHBondContact O-N 2.81Å; M164-I218 HydrophobicContact CE-CB 4.37Å; M164-I218 HydrophobicContact CE-CG2 4.01Å; M164-I218 HydrophobicContact SD-CB 3.89Å; M164-I218 HydrophobicContact SD-CG2 4.07Å; V165-I218 PolarHBondContact N-O 3.43Å; I218-L223 HydrophobicContact CG2-CB 4.25Å; I218-V230 HydrophobicContact CD1-CG1 4.44Å; I218-V230 HydrophobicContact CG2-CG1 3.74Å; I218-L234 HydrophobicContact CD1-CB 4.07Å; I218-L234 HydrophobicContact CD1-CD1 3.81Å; I218-L234 HydrophobicContact CD1-CD2 3.94Å; I218-L234 HydrophobicContact CD1-CG 4.15Å
219K98.6Very high98.4Very high61 Ų6143.2 Ų43.227%0.26523%0.233SC..EExtended strand (participates in β ladder)trans-74.6126.5171.1-62.4-175.9-174.6-1780109.3V165 E221 S222 L223 L305V165-K219 HydrophobicContact CG2-CB 4.3Å; V165-K219 HydrophobicContact CG2-CG 3.77Å; K219-E221 PolarHBondContact O-N 3.41Å; K219-S222 PolarHBondContact O-N 3.06Å; K219-L223 PolarHBondContact O-N 2.92Å; K219-L305 WeakPolarHBondContact CE-O 3.13Å; K219-L305 PolarHBondContact NZ-O 3.17Å
220Y98.8Very high98.4Very high14 Ų1440.6 Ų40.66%0.05521%0.21CC..Hα-helixtrans-54.3-41175.1165.2-94.1000111.5L67 V165 R166 L223 V224L67-Y220 HydrophobicContact CD2-CE2 4.33Å; V165-Y220 WeakPolarHBondContact O-CB 3.43Å; V165-Y220 PolarHBondContact O-N 3.48Å; R166-Y220 HydrophobicContact CG-CD1 3.83Å; R166-Y220 HydrophobicContact CG-CG 4.06Å; R166-Y220 VanDerWaalsContact NE-CD1 3.35Å; Y220-L223 WeakPolarHBondContact O-CB 3.49Å; Y220-L223 PolarHBondContact O-N 3.03Å; Y220-V224 HydrophobicContact CD1-CG2 4.5Å; Y220-V224 HydrophobicContact CD2-CG1 4.04Å; Y220-V224 HydrophobicContact CE1-CG1 4.16Å; Y220-V224 HydrophobicContact CE1-CG2 4Å; Y220-V224 HydrophobicContact CE2-CG1 3.48Å; Y220-V224 VanDerWaalsContact CE2-CG1 3.48Å; Y220-V224 WeakPolarHBondContact O-CG2 3.37Å; Y220-V224 PolarHBondContact O-N 2.87Å
221E98.4Very high98.4Very high3 Ų339.4 Ų39.41%0.01420%0.203CC..Hα-helixtrans-62.6-46.7-178.8-62.380.4-170.200111R166 D167 K219 L223 V224 L225 L277 Y307 Y316R166-E221 WeakPolarHBondContact CG-OE1 3.38Å; D167-E221 PolarHBondContact N-OE1 3.1Å; K219-E221 PolarHBondContact O-N 3.41Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 2.94Å; E221-V224 WeakPolarHBondContact O-CG2 3.47Å; E221-V224 PolarHBondContact O-N 2.81Å; E221-L225 VanDerWaalsContact O-CB 3.32Å; E221-L225 WeakPolarHBondContact O-CB 3.5Å; E221-L225 WeakPolarHBondContact O-CD1 3.41Å; E221-L225 WeakPolarHBondContact O-CG 3.43Å; E221-L225 PolarHBondContact O-N 2.96Å; E221-L277 HydrophobicContact CB-CD1 3.76Å; E221-L277 HydrophobicContact CG-CD1 3.52Å; E221-Y307 HydrophobicContact CG-CE1 4.43Å; E221-Y307 PolarHBondContact OE2-OH 2.83Å; E221-Y316 HydrophobicContact CB-CD1 4.1Å; E221-Y316 HydrophobicContact CB-CG 4.07Å; E221-Y316 HydrophobicContact CG-CD1 3.66Å; E221-Y316 HydrophobicContact CG-CD2 4.28Å; E221-Y316 HydrophobicContact CG-CE1 3.94Å; E221-Y316 HydrophobicContact CG-CG 3.83Å
222S98.3Very high98.5Very high46 Ų4644.8 Ų44.832%0.32222%0.218SC..Hα-helixtrans-60.3-43.7173.7-550000111.7K219 V224 L225 R226K219-S222 PolarHBondContact O-N 3.06Å; S222-V224 PolarHBondContact O-N 3.06Å; S222-L225 PolarHBondContact O-N 2.84Å; S222-R226 WeakPolarHBondContact O-CA 3.42Å; S222-R226 PolarHBondContact O-N 3.23Å
223L98.6Very high98.5Very high0 Ų044.7 Ų44.70%021%0.208CC..Hα-helixtrans-59.5-43.7178.1174.666.8000112.4L67 M68 L71 M164 I218 K219 Y220 E221 P227 V230 L231L67-L223 HydrophobicContact CD2-CD2 4.26Å; M68-L223 HydrophobicContact CE-CD1 4.29Å; M68-L223 HydrophobicContact CE-CD2 3.94Å; L71-L223 HydrophobicContact CD1-CD1 4.04Å; L71-L223 HydrophobicContact CD1-CD2 4.16Å; L71-L223 HydrophobicContact CD1-CG 4.44Å; M164-L223 HydrophobicContact CE-CD2 3.99Å; I218-L223 HydrophobicContact CG2-CB 4.25Å; K219-L223 PolarHBondContact O-N 2.92Å; Y220-L223 WeakPolarHBondContact O-CB 3.49Å; Y220-L223 PolarHBondContact O-N 3.03Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 2.94Å; L223-P227 WeakPolarHBondContact O-CA 3.28Å; L223-P227 VanDerWaalsContact O-CB 3.27Å; L223-P227 WeakPolarHBondContact O-CB 3.21Å; L223-P227 WeakPolarHBondContact O-CD 3.44Å; L223-V230 HydrophobicContact CB-CG1 4.26Å; L223-V230 HydrophobicContact CD1-CB 4.46Å; L223-V230 HydrophobicContact CD1-CG1 4.01Å; L223-L231 HydrophobicContact CD1-CD2 3.81Å; L223-L231 HydrophobicContact CD1-CG 3.97Å
224V98.4Very high98.5Very high1 Ų136.3 Ų36.31%0.00617%0.172CC..Hα-helixtrans-82-25.7-177.6-59.10000113.1L67 Y220 E221 S222 I272 L277 V323L67-V224 HydrophobicContact CD2-CG1 4.03Å; Y220-V224 HydrophobicContact CD1-CG2 4.5Å; Y220-V224 HydrophobicContact CD2-CG1 4.04Å; Y220-V224 HydrophobicContact CE1-CG1 4.16Å; Y220-V224 HydrophobicContact CE1-CG2 4Å; Y220-V224 HydrophobicContact CE2-CG1 3.48Å; Y220-V224 VanDerWaalsContact CE2-CG1 3.48Å; Y220-V224 WeakPolarHBondContact O-CG2 3.37Å; Y220-V224 PolarHBondContact O-N 2.87Å; E221-V224 WeakPolarHBondContact O-CG2 3.47Å; E221-V224 PolarHBondContact O-N 2.81Å; S222-V224 PolarHBondContact O-N 3.06Å; V224-I272 HydrophobicContact CB-CG2 4.07Å; V224-I272 HydrophobicContact CG1-CG2 4.2Å; V224-L277 HydrophobicContact CG2-CD1 3.97Å; V224-V323 WeakPolarHBondContact O-CG1 3.41Å
225L98.5Very high98.5Very high5 Ų533.4 Ų33.43%0.02616%0.161CC..Hα-helixtrans-76.9-45.7174.5-70.7168000111.3E221 S222 P227 L274 L277 Y316 P319 E320E221-L225 VanDerWaalsContact O-CB 3.32Å; E221-L225 WeakPolarHBondContact O-CB 3.5Å; E221-L225 WeakPolarHBondContact O-CD1 3.41Å; E221-L225 WeakPolarHBondContact O-CG 3.43Å; E221-L225 PolarHBondContact O-N 2.96Å; S222-L225 PolarHBondContact O-N 2.84Å; L225-P227 VanDerWaalsContact C-CD 3.41Å; L225-P227 WeakPolarHBondContact O-CD 3.37Å; L225-L274 HydrophobicContact CD2-CD2 3.88Å; L225-L277 HydrophobicContact CD1-CD2 4.44Å; L225-L277 HydrophobicContact CD2-CD2 3.81Å; L225-L277 HydrophobicContact CG-CD2 4.22Å; L225-Y316 VanDerWaalsContact CD1-C 3.47Å; L225-Y316 WeakPolarHBondContact CD1-O 3.46Å; L225-P319 HydrophobicContact CD2-CB 3.76Å; L225-P319 HydrophobicContact CD2-CG 4.25Å; L225-P319 CarbonylContact O-C 3.5Å; L225-P319 VanDerWaalsContact O-CA 3.27Å; L225-P319 WeakPolarHBondContact O-CA 3.06Å; L225-E320 PolarHBondContact O-N 3.36Å
226R98.5Very high98.5Very high107 Ų10740.6 Ų40.640%0.40419%0.194SC..SBendtrans-127.355-169.7-59.5-75.2-60.7179.2-0.2111.6S222 S228 E229 V230 T318 E320S222-R226 WeakPolarHBondContact O-CA 3.42Å; S222-R226 PolarHBondContact O-N 3.23Å; R226-S228 VanDerWaalsContact C-N 3.28Å; R226-S228 PolarHBondContact O-N 3.09Å; R226-E229 HydrophobicContact CB-CB 4.31Å; R226-E229 IonicContact CZ-OE2 3.88Å; R226-E229 IonicContact NE-OE2 3.46Å; R226-E229 PolarHBondContact NE-OE2 3.42Å; R226-E229 IonicContact NH2-OE2 2.8Å; R226-E229 PolarHBondContact NH2-OE2 3.45Å; R226-E229 PolarHBondContact O-N 3.44Å; R226-V230 HydrophobicContact CB-CG2 4.45Å; R226-V230 WeakPolarHBondContact O-CG2 3.41Å; R226-V230 PolarHBondContact O-N 2.68Å; R226-T318 WeakPolarHBondContact CD-O 3.39Å; R226-E320 WeakPolarHBondContact CA-OE1 3.38Å
227P98.4Very high98.5Very high5 Ų540.9 Ų40.93%0.03219%0.192CC..Hα-helixtrans-61.6-34.7-171.525.1-35.3000113.2L223 L225 L231 L247 I272 E320 V323L223-P227 WeakPolarHBondContact O-CA 3.28Å; L223-P227 VanDerWaalsContact O-CB 3.27Å; L223-P227 WeakPolarHBondContact O-CB 3.21Å; L223-P227 WeakPolarHBondContact O-CD 3.44Å; L225-P227 VanDerWaalsContact C-CD 3.41Å; L225-P227 WeakPolarHBondContact O-CD 3.37Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 WeakPolarHBondContact O-CG 3.21Å; P227-L231 PolarHBondContact O-N 2.86Å; P227-L247 HydrophobicContact CB-CD2 3.78Å; P227-L247 HydrophobicContact CG-CD2 4.26Å; P227-I272 HydrophobicContact CB-CD1 3.53Å; P227-I272 HydrophobicContact CB-CG2 4.47Å; P227-I272 HydrophobicContact CG-CD1 4.17Å; P227-I272 HydrophobicContact CG-CG2 4.38Å; P227-E320 WeakPolarHBondContact CD-OE2 3.11Å; P227-E320 WeakPolarHBondContact CG-OE2 3.34Å; P227-V323 HydrophobicContact CG-CG2 3.59Å
228S98.1Very high98.5Very high13 Ų1338.3 Ų38.39%0.09118%0.175CC..Hα-helixtrans-69.4-34.7-178.5-169.80000112.6R226 R232 E320R226-S228 VanDerWaalsContact C-N 3.28Å; R226-S228 PolarHBondContact O-N 3.09Å; S228-R232 VanDerWaalsContact O-CG 3.23Å; S228-R232 WeakPolarHBondContact O-CG 3.21Å; S228-R232 PolarHBondContact O-N 2.86Å; S228-R232 PolarHBondContact O-NH1 3.21Å; S228-R232 PolarHBondContact OG-NH1 2.87Å; S228-R232 PolarHBondContact OG-NH2 3.08Å; S228-R232 VanDerWaalsContact OG-NH2 3.17Å; S228-E320 VanDerWaalsContact CB-OE1 3.29Å; S228-E320 WeakPolarHBondContact CB-OE1 3.23Å; S228-E320 WeakPolarHBondContact CB-OE2 3.4Å; S228-E320 PolarHBondContact N-OE1 3.04Å; S228-E320 PolarHBondContact N-OE2 3.36Å
229E98Very high98.4Very high81 Ų8145.1 Ų45.138%0.37921%0.207SC..Hα-helixtrans-74.1-55.7175.9-179.3179.3171.100110.8R226 L231 R232 E233 E320R226-E229 HydrophobicContact CB-CB 4.31Å; R226-E229 IonicContact CZ-OE2 3.88Å; R226-E229 IonicContact NE-OE2 3.46Å; R226-E229 PolarHBondContact NE-OE2 3.42Å; R226-E229 IonicContact NH2-OE2 2.8Å; R226-E229 PolarHBondContact NH2-OE2 3.45Å; R226-E229 PolarHBondContact O-N 3.44Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 3.48Å; E229-R232 PolarHBondContact O-N 3.47Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-E233 PolarHBondContact O-N 3.35Å; E229-E233 VanDerWaalsContact O-N 3.09Å; E229-E320 PolarHBondContact N-OE1 3.04Å
230V98.6Very high98.3Very high16 Ų1642.7 Ų42.710%0.09720%0.197CC..Hα-helixtrans-61.2-39.5-175.3173.60000112I218 L223 R226 L234I218-V230 HydrophobicContact CD1-CG1 4.44Å; I218-V230 HydrophobicContact CG2-CG1 3.74Å; L223-V230 HydrophobicContact CB-CG1 4.26Å; L223-V230 HydrophobicContact CD1-CB 4.46Å; L223-V230 HydrophobicContact CD1-CG1 4.01Å; R226-V230 HydrophobicContact CB-CG2 4.45Å; R226-V230 WeakPolarHBondContact O-CG2 3.41Å; R226-V230 PolarHBondContact O-N 2.68Å; V230-L234 WeakPolarHBondContact O-CB 3.37Å; V230-L234 PolarHBondContact O-N 3.29Å
231L98.7Very high98.3Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-71.7-37.4177.8-66.3173.8000111.5M68 L71 L223 P227 E229 E233 L234 F235 W242 V246 L247M68-L231 HydrophobicContact SD-CD2 4.47Å; L71-L231 HydrophobicContact CB-CD2 4.44Å; L71-L231 HydrophobicContact CD1-CD1 4.17Å; L71-L231 HydrophobicContact CD1-CD2 4.19Å; L223-L231 HydrophobicContact CD1-CD2 3.81Å; L223-L231 HydrophobicContact CD1-CG 3.97Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 WeakPolarHBondContact O-CG 3.21Å; P227-L231 PolarHBondContact O-N 2.86Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 3.48Å; L231-E233 VanDerWaalsContact C-N 3.35Å; L231-E233 PolarHBondContact O-N 2.96Å; L231-L234 HydrophobicContact CD2-CD2 4.19Å; L231-L234 WeakPolarHBondContact O-CB 3.49Å; L231-L234 PolarHBondContact O-N 3.28Å; L231-L234 VanDerWaalsContact O-N 3.17Å; L231-F235 VanDerWaalsContact O-CD2 3.23Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 3.17Å; L231-W242 HydrophobicContact CB-CH2 4.23Å; L231-W242 HydrophobicContact CB-CZ3 3.75Å; L231-V246 HydrophobicContact CB-CG2 4.44Å; L231-V246 HydrophobicContact CD1-CB 4.36Å; L231-V246 HydrophobicContact CD1-CG2 3.79Å; L231-L247 HydrophobicContact CD1-CD2 3.8Å
232R98.5Very high98.3Very high128 Ų12849.8 Ų49.848%0.48323%0.234SC..Hα-helixtrans-60.1-46.3175.6-80.1-177.3-170.8114.46.7111.7S228 E229 L234 F235 E236 W242S228-R232 VanDerWaalsContact O-CG 3.23Å; S228-R232 WeakPolarHBondContact O-CG 3.21Å; S228-R232 PolarHBondContact O-N 2.86Å; S228-R232 PolarHBondContact O-NH1 3.21Å; S228-R232 PolarHBondContact OG-NH1 2.87Å; S228-R232 PolarHBondContact OG-NH2 3.08Å; S228-R232 VanDerWaalsContact OG-NH2 3.17Å; E229-R232 PolarHBondContact O-N 3.47Å; E229-R232 VanDerWaalsContact O-N 3.1Å; R232-L234 VanDerWaalsContact C-N 3.3Å; R232-L234 PolarHBondContact O-N 3.31Å; R232-F235 PolarHBondContact O-N 2.77Å; R232-E236 PolarHBondContact O-N 2.84Å; R232-W242 HydrophobicContact CB-CE3 4.39Å; R232-W242 HydrophobicContact CB-CZ3 4.47Å; R232-W242 HydrophobicContact CG-CD2 3.79Å; R232-W242 HydrophobicContact CG-CE3 3.55Å; R232-W242 HydrophobicContact CG-CG 4.49Å; R232-W242 HydrophobicContact CG-CH2 4.04Å; R232-W242 HydrophobicContact CG-CZ2 4.26Å; R232-W242 HydrophobicContact CG-CZ3 3.69Å
233E98.5Very high98.2Very high113 Ų11349.8 Ų49.853%0.52823%0.231SC..Hα-helixtrans-60.4-40.6174.7-68.1178.8-177.100111.8E229 L231 E236 F237E229-E233 PolarHBondContact O-N 3.35Å; E229-E233 VanDerWaalsContact O-N 3.09Å; L231-E233 VanDerWaalsContact C-N 3.35Å; L231-E233 PolarHBondContact O-N 2.96Å; E233-E236 PolarHBondContact O-N 3.17Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.01Å
234L98.7Very high98.2Very high3 Ų353.3 Ų53.32%0.01625%0.253CS..Hα-helixtrans-63.6-44.1175.6175.162.9000111.9M68 L72 V162 I218 V230 L231 R232 F237 L238M68-L234 HydrophobicContact CE-CD2 3.76Å; M68-L234 HydrophobicContact SD-CD2 3.37Å; M68-L234 WeakPolarHBondContact SD-CD2 3.4Å; L72-L234 HydrophobicContact CD2-CD2 3.96Å; V162-L234 HydrophobicContact CG1-CD1 4.3Å; V162-L234 HydrophobicContact CG2-CD1 3.66Å; I218-L234 HydrophobicContact CD1-CB 4.07Å; I218-L234 HydrophobicContact CD1-CD1 3.81Å; I218-L234 HydrophobicContact CD1-CD2 3.94Å; I218-L234 HydrophobicContact CD1-CG 4.15Å; V230-L234 WeakPolarHBondContact O-CB 3.37Å; V230-L234 PolarHBondContact O-N 3.29Å; L231-L234 HydrophobicContact CD2-CD2 4.19Å; L231-L234 WeakPolarHBondContact O-CB 3.49Å; L231-L234 PolarHBondContact O-N 3.28Å; L231-L234 VanDerWaalsContact O-N 3.17Å; R232-L234 VanDerWaalsContact C-N 3.3Å; R232-L234 PolarHBondContact O-N 3.31Å; L234-F237 HydrophobicContact CD1-CD1 3.9Å; L234-F237 HydrophobicContact CD1-CE1 4.5Å; L234-F237 CarbonylContact O-C 3.47Å; L234-F237 WeakPolarHBondContact O-CB 3.46Å; L234-F237 PolarHBondContact O-N 3.45Å; L234-L238 HydrophobicContact CD1-CD1 4.01Å; L234-L238 HydrophobicContact CD1-CD2 4.45Å; L234-L238 HydrophobicContact CD1-CG 3.93Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 2.88Å
235F98.6Very high98.1Very high2 Ų255.1 Ų55.11%0.00926%0.263CS..Hα-helixtrans-66.8-36.6179.4-88.6-87.5000111.9L72 H75 I78 L231 R232 L238 E239 I240 W242 V246L72-F235 HydrophobicContact CD2-CE2 3.81Å; L72-F235 HydrophobicContact CD2-CZ 3.74Å; H75-F235 HydrophobicContact CB-CE1 4.28Å; H75-F235 HydrophobicContact CB-CZ 4.1Å; H75-F235 AromaticContact CD2-CE1 3.3Å; H75-F235 WeakPolarHBondContact CD2-CE1 3.38Å; H75-F235 AromaticContact CD2-CZ 3.63Å; H75-F235 AromaticContact CG-CE1 3.67Å; H75-F235 AromaticContact CG-CZ 3.94Å; H75-F235 AromaticContact NE2-CE1 3.69Å; I78-F235 HydrophobicContact CD1-CE1 3.8Å; I78-F235 HydrophobicContact CD1-CZ 4.04Å; L231-F235 VanDerWaalsContact O-CD2 3.23Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 3.17Å; R232-F235 PolarHBondContact O-N 2.77Å; F235-L238 PolarHBondContact O-N 3.44Å; F235-E239 PolarHBondContact O-N 3.29Å; F235-I240 HydrophobicContact CD1-CB 3.81Å; F235-I240 HydrophobicContact CD1-CG2 3.79Å; F235-I240 HydrophobicContact CE1-CB 4.26Å; F235-I240 HydrophobicContact CE1-CG2 3.85Å; F235-I240 PolarHBondContact O-N 3.23Å; F235-W242 HydrophobicContact CD2-CE3 4.15Å; F235-W242 HydrophobicContact CD2-CZ3 4.25Å; F235-W242 HydrophobicContact CG-CE3 4.45Å; F235-V246 HydrophobicContact CE2-CB 4.32Å; F235-V246 HydrophobicContact CE2-CG1 3.8Å; F235-V246 HydrophobicContact CE2-CG2 4.18Å; F235-V246 HydrophobicContact CZ-CG1 3.66Å
236E98.5Very high98Very high159 Ų15954.9 Ų54.974%0.74326%0.262SS*.Hα-helixtrans-61.8-49.7169.1-176.1177.4-174.200111.3R232 E233 L238 E239R232-E236 PolarHBondContact O-N 2.84Å; E233-E236 PolarHBondContact O-N 3.17Å; E236-L238 PolarHBondContact O-N 3.23Å; E236-E239 PolarHBondContact O-N 2.97Å
237F98.5Very high97.9Very high35 Ų3551.5 Ų51.515%0.15425%0.251CS..Hα-helixtrans-56.6-39.5174.2160.9-98.3000112K160 V162 P212 E233 L234 E239K160-F237 HydrophobicContact CB-CE1 4Å; K160-F237 HydrophobicContact CB-CZ 3.99Å; K160-F237 HydrophobicContact CD-CE1 4.24Å; K160-F237 HydrophobicContact CD-CZ 4.28Å; K160-F237 WeakPolarHBondContact CD-O 3.4Å; K160-F237 VanDerWaalsContact CE-O 3.27Å; K160-F237 WeakPolarHBondContact CE-O 3.07Å; K160-F237 HydrophobicContact CG-CE1 4.49Å; K160-F237 HydrophobicContact CG-CZ 4.27Å; K160-F237 PolarHBondContact NZ-O 3.28Å; V162-F237 HydrophobicContact CG2-CE1 4.41Å; P212-F237 WeakPolarHBondContact O-CE2 3.36Å; E233-F237 WeakPolarHBondContact O-CB 3.41Å; E233-F237 PolarHBondContact O-N 3.01Å; L234-F237 HydrophobicContact CD1-CD1 3.9Å; L234-F237 HydrophobicContact CD1-CE1 4.5Å; L234-F237 CarbonylContact O-C 3.47Å; L234-F237 WeakPolarHBondContact O-CB 3.46Å; L234-F237 PolarHBondContact O-N 3.45Å; F237-E239 PolarHBondContact O-N 3.47Å
238L98Very high97.8Very high0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-75.3-13.2178.8-69179.8000113Q53 V55 L72 K160 V162 L234 F235 E236 I240Q53-L238 PolarHBondContact NE2-O 2.95Å; V55-L238 HydrophobicContact CG1-CD2 3.98Å; V55-L238 HydrophobicContact CG2-CD2 3.75Å; L72-L238 HydrophobicContact CD1-CD1 4.03Å; L72-L238 HydrophobicContact CD2-CD1 4.23Å; K160-L238 HydrophobicContact CB-CD2 3.91Å; K160-L238 HydrophobicContact CD-CD2 3.99Å; K160-L238 PolarHBondContact NZ-O 3.22Å; V162-L238 HydrophobicContact CG2-CD2 4.41Å; L234-L238 HydrophobicContact CD1-CD1 4.01Å; L234-L238 HydrophobicContact CD1-CD2 4.45Å; L234-L238 HydrophobicContact CD1-CG 3.93Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.23Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 2.88Å; F235-L238 PolarHBondContact O-N 3.44Å; E236-L238 PolarHBondContact O-N 3.23Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CB 4.44Å; L238-I240 HydrophobicContact CB-CD1 3.79Å; L238-I240 HydrophobicContact CB-CG1 3.96Å; L238-I240 HydrophobicContact CD1-CD1 4.18Å
239E97.4Very high97.7Very high156 Ų15655 Ų5573%0.72927%0.266SS*.THydrogen-bonded Turntrans58.141.4-171.2-64.3167.9-113.800112.1K160 F235 E236 F237K160-E239 VanDerWaalsContact NZ-CD 3.31Å; K160-E239 VanDerWaalsContact NZ-CG 3.28Å; K160-E239 IonicContact NZ-OE1 3.18Å; K160-E239 PolarHBondContact NZ-OE1 3.15Å; F235-E239 PolarHBondContact O-N 3.29Å; E236-E239 PolarHBondContact O-N 2.97Å; F237-E239 PolarHBondContact O-N 3.47Å
240I97.2Very high97.4Very high9 Ų953.6 Ų53.65%0.04626%0.259CS..  trans-118.8134.8179.3-59.3171.5000108.3M77 I78 V137 F235 L238M77-I240 HydrophobicContact SD-CG2 4.23Å; I78-I240 HydrophobicContact CD1-CD1 3.61Å; I78-I240 HydrophobicContact CD1-CG2 4.47Å; I78-I240 HydrophobicContact CG1-CD1 3.9Å; V137-I240 HydrophobicContact CB-CD1 4.24Å; V137-I240 HydrophobicContact CG1-CD1 4.06Å; V137-I240 HydrophobicContact CG2-CD1 3.75Å; V137-I240 HydrophobicContact CG2-CG1 4.17Å; F235-I240 HydrophobicContact CD1-CB 3.81Å; F235-I240 HydrophobicContact CD1-CG2 3.79Å; F235-I240 HydrophobicContact CE1-CB 4.26Å; F235-I240 HydrophobicContact CE1-CG2 3.85Å; F235-I240 PolarHBondContact O-N 3.23Å; L238-I240 VanDerWaalsContact C-N 3.31Å; L238-I240 HydrophobicContact CB-CB 4.44Å; L238-I240 HydrophobicContact CB-CD1 3.79Å; L238-I240 HydrophobicContact CB-CG1 3.96Å; L238-I240 HydrophobicContact CD1-CD1 4.18Å
241P97.6Very high97.1Very high84 Ų8457.3 Ų57.355%0.54528%0.282SS..  trans-53144.3176.2-26.835000112.7H75 M77H75-P241 PolarHBondContact NE2-O 3.1Å; M77-P241 HydrophobicContact SD-CG 4.22Å
242W98.1Very high96.6Very high82 Ų8260.3 Ų60.331%0.31130%0.3SS..  trans-71.2133.8175.5170.1-101.2000111.4L231 R232 F235 V246 L247L231-W242 HydrophobicContact CB-CH2 4.23Å; L231-W242 HydrophobicContact CB-CZ3 3.75Å; R232-W242 HydrophobicContact CB-CE3 4.39Å; R232-W242 HydrophobicContact CB-CZ3 4.47Å; R232-W242 HydrophobicContact CG-CD2 3.79Å; R232-W242 HydrophobicContact CG-CE3 3.55Å; R232-W242 HydrophobicContact CG-CG 4.49Å; R232-W242 HydrophobicContact CG-CH2 4.04Å; R232-W242 HydrophobicContact CG-CZ2 4.26Å; R232-W242 HydrophobicContact CG-CZ3 3.69Å; F235-W242 HydrophobicContact CD2-CE3 4.15Å; F235-W242 HydrophobicContact CD2-CZ3 4.25Å; F235-W242 HydrophobicContact CG-CE3 4.45Å; W242-V246 HydrophobicContact CH2-CG2 3.71Å; W242-V246 HydrophobicContact CZ3-CG2 3.73Å; W242-L247 HydrophobicContact CH2-CD1 4.01Å; W242-L247 HydrophobicContact CH2-CD2 4.47Å; W242-L247 HydrophobicContact CH2-CG 4.05Å; W242-L247 HydrophobicContact CZ2-CD1 3.91Å; W242-L247 HydrophobicContact CZ2-CG 4.33Å
243D97.8Very high95.8Very high47 Ų4755.8 Ų55.825%0.25129%0.285SS..  trans-130123.4167.6-169.2-40000109.4H75 P76 I245 V246H75-D243 VanDerWaalsContact CD2-CB 3.49Å; H75-D243 WeakPolarHBondContact CD2-CB 3.36Å; H75-D243 WeakPolarHBondContact NE2-CB 3.29Å; P76-D243 WeakPolarHBondContact CD-OD2 3.26Å; P76-D243 WeakPolarHBondContact CG-OD2 3.38Å; D243-I245 HydrophobicContact CB-CG2 4.04Å; D243-I245 VanDerWaalsContact CG-CG2 3.48Å; D243-I245 PolarHBondContact O-N 2.96Å; D243-I245 VanDerWaalsContact O-N 3.08Å; D243-I245 VanDerWaalsContact OD1-CB 3.28Å; D243-I245 WeakPolarHBondContact OD1-CB 3.47Å; D243-I245 WeakPolarHBondContact OD1-CG2 3.47Å; D243-I245 PolarHBondContact OD1-N 3.16Å; D243-V246 WeakPolarHBondContact O-CG2 3.09Å; D243-V246 PolarHBondContact O-N 2.75Å
244P97Very high94.6Very high73 Ų7355.4 Ų55.447%0.47429%0.286SS..G310 helixtrans-61.6-15.1179.826.9-36000114.3V246 L247 H248P244-V246 PolarHBondContact O-N 2.84Å; P244-V246 VanDerWaalsContact O-N 3.07Å; P244-L247 WeakPolarHBondContact O-CB 3.47Å; P244-L247 PolarHBondContact O-N 2.81Å; P244-H248 PolarHBondContact O-CD2 3.15Å
245I96.6Very high93.1Very high40 Ų4062.5 Ų62.521%0.20532%0.324CS..G310 helixtrans-55.1-28.2178.5-164.863.7000113.1V74 D243 L247 H248 H249 V252V74-I245 WeakPolarHBondContact O-CG2 3.38Å; D243-I245 HydrophobicContact CB-CG2 4.04Å; D243-I245 VanDerWaalsContact CG-CG2 3.48Å; D243-I245 PolarHBondContact O-N 2.96Å; D243-I245 VanDerWaalsContact O-N 3.08Å; D243-I245 VanDerWaalsContact OD1-CB 3.28Å; D243-I245 WeakPolarHBondContact OD1-CB 3.47Å; D243-I245 WeakPolarHBondContact OD1-CG2 3.47Å; D243-I245 PolarHBondContact OD1-N 3.16Å; I245-L247 PolarHBondContact O-N 3.03Å; I245-H248 CarbonylContact O-C 3.57Å; I245-H248 WeakPolarHBondContact O-CA 3.36Å; I245-H248 PolarHBondContact O-N 3.33Å; I245-H249 PolarHBondContact O-N 3.48Å; I245-V252 HydrophobicContact CD1-CB 4.36Å; I245-V252 HydrophobicContact CD1-CG1 3.47Å; I245-V252 VanDerWaalsContact CD1-CG1 3.47Å; I245-V252 HydrophobicContact CD1-CG2 3.95Å; I245-V252 HydrophobicContact CG1-CG1 4.06Å; I245-V252 HydrophobicContact CG1-CG2 3.81Å
246V96.9Very high91.4Very high0 Ų067.2 Ų67.20%036%0.358CS..G310 helixtrans-61.8-27.6179.5-54.20000112.6L71 V74 H75 L231 F235 W242 D243 P244 H248L71-V246 WeakPolarHBondContact CD2-O 3.13Å; L71-V246 WeakPolarHBondContact O-CB 3.3Å; L71-V246 VanDerWaalsContact O-CG1 3.31Å; L71-V246 WeakPolarHBondContact O-CG1 3.25Å; V74-V246 HydrophobicContact CG2-CG1 4.45Å; H75-V246 HydrophobicContact CB-CG1 4.05Å; L231-V246 HydrophobicContact CB-CG2 4.44Å; L231-V246 HydrophobicContact CD1-CB 4.36Å; L231-V246 HydrophobicContact CD1-CG2 3.79Å; F235-V246 HydrophobicContact CE2-CB 4.32Å; F235-V246 HydrophobicContact CE2-CG1 3.8Å; F235-V246 HydrophobicContact CE2-CG2 4.18Å; F235-V246 HydrophobicContact CZ-CG1 3.66Å; W242-V246 HydrophobicContact CH2-CG2 3.71Å; W242-V246 HydrophobicContact CZ3-CG2 3.73Å; D243-V246 WeakPolarHBondContact O-CG2 3.09Å; D243-V246 PolarHBondContact O-N 2.75Å; P244-V246 PolarHBondContact O-N 2.84Å; P244-V246 VanDerWaalsContact O-N 3.07Å; V246-H248 VanDerWaalsContact C-N 3.26Å; V246-H248 PolarHBondContact O-N 3.24Å
247L97.3Very high90.3Very high36 Ų3661.4 Ų61.419%0.18833%0.334CS..G310 helixtrans-78.1-12.6174.4-62.1173.5000112.9P227 L231 W242 P244 I245P227-L247 HydrophobicContact CB-CD2 3.78Å; P227-L247 HydrophobicContact CG-CD2 4.26Å; L231-L247 HydrophobicContact CD1-CD2 3.8Å; W242-L247 HydrophobicContact CH2-CD1 4.01Å; W242-L247 HydrophobicContact CH2-CD2 4.47Å; W242-L247 HydrophobicContact CH2-CG 4.05Å; W242-L247 HydrophobicContact CZ2-CD1 3.91Å; W242-L247 HydrophobicContact CZ2-CG 4.33Å; P244-L247 WeakPolarHBondContact O-CB 3.47Å; P244-L247 PolarHBondContact O-N 2.81Å; I245-L247 PolarHBondContact O-N 3.03Å
248H95.9Very high89.8Confident92 Ų9260.7 Ų60.743%0.42633%0.332SS..G310 helixtrans-121.730.2-174.1-57.9-70.5000112.4P244 I245 V246 Q250 T251P244-H248 PolarHBondContact O-CD2 3.15Å; I245-H248 CarbonylContact O-C 3.57Å; I245-H248 WeakPolarHBondContact O-CA 3.36Å; I245-H248 PolarHBondContact O-N 3.33Å; V246-H248 VanDerWaalsContact C-N 3.26Å; V246-H248 PolarHBondContact O-N 3.24Å; H248-Q250 VanDerWaalsContact C-OE1 3.23Å; H248-Q250 PolarHBondContact O-N 2.99Å; H248-T251 HydrophobicContact CB-CG2 4.23Å; H248-T251 WeakPolarHBondContact O-CB 3.32Å; H248-T251 PolarHBondContact O-N 2.87Å; H248-T251 PolarHBondContact O-OG1 3.11Å
249H95Very high89.4Confident0 Ų062.2 Ų62.20%034%0.343CS..G310 helixtrans-48.9-37.2-175.870.3-75.8000114.5V70 L71 V74 I245 T251 V252 M253 V268 H270V70-H249 HydrophobicContact CG1-CB 3.99Å; V70-H249 WeakPolarHBondContact CG1-CD2 3.47Å; L71-H249 HydrophobicContact CD2-CB 4.14Å; L71-H249 WeakPolarHBondContact CD2-ND1 3.42Å; V74-H249 HydrophobicContact CB-CB 4.46Å; V74-H249 HydrophobicContact CG1-CB 3.85Å; V74-H249 HydrophobicContact CG2-CB 3.87Å; I245-H249 PolarHBondContact O-N 3.48Å; H249-T251 PolarHBondContact O-N 3.14Å; H249-T251 VanDerWaalsContact O-N 3.09Å; H249-V252 PolarHBondContact O-N 3.25Å; H249-M253 VanDerWaalsContact CD2-CE 3.42Å; H249-M253 WeakPolarHBondContact CD2-CE 3.39Å; H249-M253 WeakPolarHBondContact O-CB 3.48Å; H249-M253 VanDerWaalsContact O-CG 3.3Å; H249-M253 WeakPolarHBondContact O-CG 3.36Å; H249-M253 PolarHBondContact O-N 2.98Å; H249-V268 PolarHBondContact CD2-O 2.98Å; H249-V268 PolarHBondContact NE2-O 3.13Å; H249-V268 VanDerWaalsContact NE2-O 3.15Å; H249-H270 PolarHBondContact CE1-O 3.28Å; H249-H270 PolarHBondContact NE2-O 3.36Å; H249-H270 VanDerWaalsContact NE2-O 3.17Å
250Q92.4Very high89Confident50 Ų5064.1 Ų64.123%0.23435%0.349CS..G310 helixtrans-56.5-23.717673.8-79.30.500114.6H248 M253 P271H248-Q250 VanDerWaalsContact C-OE1 3.23Å; H248-Q250 PolarHBondContact O-N 2.99Å; Q250-M253 HydrophobicContact CB-CE 4.42Å; Q250-P271 HydrophobicContact CB-CG 4.35Å; Q250-P271 HydrophobicContact CG-CB 4.44Å; Q250-P271 HydrophobicContact CG-CG 3.81Å
251T92.2Very high88.5Confident95 Ų9571.4 Ų71.458%0.58339%0.387SS*.G310 helixtrans-86.3-18.5-175.666.50000113.1H248 H249H248-T251 HydrophobicContact CB-CG2 4.23Å; H248-T251 WeakPolarHBondContact O-CB 3.32Å; H248-T251 PolarHBondContact O-N 2.87Å; H248-T251 PolarHBondContact O-OG1 3.11Å; H249-T251 PolarHBondContact O-N 3.14Å; H249-T251 VanDerWaalsContact O-N 3.09Å
252V88.7Confident88.2Confident62 Ų6268.1 Ų68.138%0.37636%0.364SS..THydrogen-bonded Turntrans-127.1-11.1-172.2-69.30000113.8V74 I245 H249 N254V74-V252 HydrophobicContact CB-CG2 3.65Å; V74-V252 HydrophobicContact CG1-CG2 3.64Å; I245-V252 HydrophobicContact CD1-CB 4.36Å; I245-V252 HydrophobicContact CD1-CG1 3.47Å; I245-V252 VanDerWaalsContact CD1-CG1 3.47Å; I245-V252 HydrophobicContact CD1-CG2 3.95Å; I245-V252 HydrophobicContact CG1-CG1 4.06Å; I245-V252 HydrophobicContact CG1-CG2 3.81Å; H249-V252 PolarHBondContact O-N 3.25Å; V252-N254 PolarHBondContact O-N 2.92Å; V252-N254 VanDerWaalsContact O-N 3.16Å
253M81.2Confident87.9Confident34 Ų3467.4 Ų67.417%0.16737%0.37CS..  trans-60.4120.6175.8-87.2-172.3-57.400111.3V70 V74 H249 Q250 L258 V268V70-M253 HydrophobicContact CG1-CG 4.02Å; V70-M253 HydrophobicContact CG1-SD 3.33Å; V70-M253 WeakPolarHBondContact CG1-SD 3.35Å; V70-M253 HydrophobicContact CG2-SD 4.36Å; V74-M253 HydrophobicContact CG1-CG 4.02Å; H249-M253 VanDerWaalsContact CD2-CE 3.42Å; H249-M253 WeakPolarHBondContact CD2-CE 3.39Å; H249-M253 WeakPolarHBondContact O-CB 3.48Å; H249-M253 VanDerWaalsContact O-CG 3.3Å; H249-M253 WeakPolarHBondContact O-CG 3.36Å; H249-M253 PolarHBondContact O-N 2.98Å; Q250-M253 HydrophobicContact CB-CE 4.42Å; M253-L258 HydrophobicContact SD-CD1 4.02Å; M253-L258 HydrophobicContact SD-CD2 4.19Å; M253-L258 HydrophobicContact SD-CG 4.41Å; M253-V268 WeakPolarHBondContact CE-O 3.43Å
254N72.2Confident87.7Confident104 Ų10465.9 Ų65.956%0.55636%0.363SS*.  trans-87.2149.7169.7-69-16.2000110.5V252 S256 S257V252-N254 PolarHBondContact O-N 2.92Å; V252-N254 VanDerWaalsContact O-N 3.16Å; N254-S256 PolarHBondContact O-N 2.96Å; N254-S257 PolarHBondContact O-N 3.48Å
255N67.3Low87.4Confident152 Ų15263.3 Ų63.381%0.81335%0.347SS*.G310 helixtrans-56.5-23.2175.9-79.6-35.6000113.3S257N255-S257 VanDerWaalsContact C-N 3.35Å
256S63.6Low87.1Confident101 Ų10163.9 Ų63.971%0.70635%0.354SS*.G310 helixtrans-69.9-26.6176.3490000113.6N254 L258N254-S256 PolarHBondContact O-N 2.96Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 3.36Å
257S76.2Confident87Confident37 Ų3765.1 Ų65.126%0.25936%0.36SS..G310 helixtrans-79.7-10.2-179-51.70000112.9R69 N254 N255R69-S257 PolarHBondContact NH1-O 2.77Å; R69-S257 PolarHBondContact NH2-O 3.1Å; N254-S257 PolarHBondContact O-N 3.48Å; N255-S257 VanDerWaalsContact C-N 3.35Å
258L87.3Confident86.8Confident20 Ų2063.8 Ų63.811%0.10535%0.353CS..SBendtrans-118.4135.7-176.8-59.3-178.4000111.2R69 V70 M253 S256 T265 V268 V269R69-L258 VanDerWaalsContact NH2-CD2 3.29Å; V70-L258 HydrophobicContact CG2-CD2 3.82Å; M253-L258 HydrophobicContact SD-CD1 4.02Å; M253-L258 HydrophobicContact SD-CD2 4.19Å; M253-L258 HydrophobicContact SD-CG 4.41Å; S256-L258 VanDerWaalsContact C-N 3.28Å; S256-L258 PolarHBondContact O-N 3.36Å; L258-T265 HydrophobicContact CB-CG2 4.02Å; L258-T265 HydrophobicContact CD1-CG2 4.26Å; L258-V268 HydrophobicContact CD1-CG2 4.38Å; L258-V268 HydrophobicContact CD2-CG2 3.9Å; L258-V269 HydrophobicContact CD1-CG1 3.69Å
259S89.3Confident86.6Confident33 Ų3362.5 Ų62.523%0.23135%0.352CS..  trans-89.5122.3170.5176.90000110.3L261 E262 T265S259-L261 PolarHBondContact O-N 2.58Å; S259-L261 PolarHBondContact OG-N 3.29Å; S259-E262 PolarHBondContact O-N 3.02Å; S259-T265 WeakPolarHBondContact O-CB 3.24Å; S259-T265 PolarHBondContact O-OG1 3.46Å
260K88.2Confident86.6Confident196 Ų19663.4 Ų63.485%0.85236%0.356SS*.THydrogen-bonded Turntrans-59.9-17.3172.9-65.6-177.3-178.5178.30113.1
261L88.6Confident86.8Confident161 Ų16161.9 Ų61.984%0.84335%0.35SS*.THydrogen-bonded Turntrans-87.4-11.3179.5-57177000113.1S259S259-L261 PolarHBondContact O-N 2.58Å; S259-L261 PolarHBondContact OG-N 3.29Å
262E90.8Very high87Confident15 Ų1557.9 Ų57.97%0.0733%0.325CS..SBendtrans-80.4128.9176.9-84.4-177.3-131.400111.3P82 E83 K141 S259 S264 T265P82-E262 VanDerWaalsContact CA-OE1 3.29Å; P82-E262 WeakPolarHBondContact CA-OE1 3.43Å; P82-E262 WeakPolarHBondContact CB-OE1 3.49Å; E83-E262 HydrophobicContact CG-CG 4.44Å; E83-E262 PolarHBondContact N-OE1 3.43Å; K141-E262 IonicContact NZ-OE2 2.7Å; K141-E262 PolarHBondContact NZ-OE2 3.4Å; S259-E262 PolarHBondContact O-N 3.02Å; E262-S264 PolarHBondContact O-N 3.48Å; E262-T265 WeakPolarHBondContact CB-OG1 3.08Å; E262-T265 WeakPolarHBondContact O-CB 3.18Å; E262-T265 PolarHBondContact O-N 3.47Å; E262-T265 PolarHBondContact O-OG1 3.43Å
263P90.8Very high87.4Confident67 Ų6755.6 Ų55.644%0.43531%0.31SS..THydrogen-bonded Turntrans-60.5-21.5-178.2-25.633.8000115V180V180-P263 HydrophobicContact CG1-CG 4.44Å; V180-P263 HydrophobicContact CG2-CB 3.77Å; V180-P263 HydrophobicContact CG2-CG 4.13Å
264S93.5Very high88.2Confident15 Ų1555.6 Ų55.611%0.10531%0.311CS..THydrogen-bonded Turntrans-85.4-12.3-179.8-52.20000113.6R62 T66 E262 S266 Q267 V268R62-S264 PolarHBondContact NH1-OG 3.04Å; T66-S264 PolarHBondContact OG1-OG 3.39Å; E262-S264 PolarHBondContact O-N 3.48Å; S264-S266 PolarHBondContact O-N 3.07Å; S264-Q267 WeakPolarHBondContact O-CB 3.5Å; S264-Q267 PolarHBondContact O-N 2.95Å; S264-V268 PolarHBondContact O-N 3.07Å; S264-V268 VanDerWaalsContact O-N 3.11Å
265T91.2Very high89.3Confident20 Ų2052.2 Ų52.212%0.12330%0.297CS..Hα-helixtrans-59.7-43.6-170.2-65.20000112.5L258 S259 E262 Q267 V268 V269L258-T265 HydrophobicContact CB-CG2 4.02Å; L258-T265 HydrophobicContact CD1-CG2 4.26Å; S259-T265 WeakPolarHBondContact O-CB 3.24Å; S259-T265 PolarHBondContact O-OG1 3.46Å; E262-T265 WeakPolarHBondContact CB-OG1 3.08Å; E262-T265 WeakPolarHBondContact O-CB 3.18Å; E262-T265 PolarHBondContact O-N 3.47Å; E262-T265 PolarHBondContact O-OG1 3.43Å; T265-Q267 PolarHBondContact O-N 3.49Å; T265-Q267 VanDerWaalsContact O-N 3.08Å; T265-V268 PolarHBondContact O-N 3.24Å; T265-V269 WeakPolarHBondContact O-CG1 3.23Å
266S91.3Very high90.6Very high51 Ų5145.6 Ų45.636%0.35726%0.263SS..Hα-helixtrans-59.4-20.7175.357.40000114S264 V269 I339S264-S266 PolarHBondContact O-N 3.07Å; S266-V269 WeakPolarHBondContact O-CG2 3.45Å; S266-I339 WeakPolarHBondContact O-CD1 3.32Å
267Q93.2Very high92.1Very high26 Ų2641.5 Ų41.512%0.12123%0.233CC..Hα-helixtrans-95.3-41.6-176.3-58.6168.3-98.800111.5R178 S264 T265 V269 H270 I339 F340R178-Q267 VanDerWaalsContact CZ-CD 3.45Å; S264-Q267 WeakPolarHBondContact O-CB 3.5Å; S264-Q267 PolarHBondContact O-N 2.95Å; T265-Q267 PolarHBondContact O-N 3.49Å; T265-Q267 VanDerWaalsContact O-N 3.08Å; Q267-V269 PolarHBondContact O-N 3.27Å; Q267-H270 PolarHBondContact O-N 3.16Å; Q267-I339 HydrophobicContact CG-CG2 3.88Å; Q267-F340 HydrophobicContact CB-CE1 4.43Å; Q267-F340 HydrophobicContact CB-CZ 3.82Å; Q267-F340 HydrophobicContact CG-CE1 4.16Å; Q267-F340 HydrophobicContact CG-CZ 3.87Å
268V93.8Very high93Very high8 Ų842.7 Ų42.75%0.04824%0.239CC..Hα-helixtrans-77.7-5.4-174.3-60.10000113.9T66 L67 V70 H249 M253 L258 S264 T265T66-V268 HydrophobicContact CG2-CG1 4.07Å; T66-V268 HydrophobicContact CG2-CG2 4.39Å; L67-V268 HydrophobicContact CB-CG1 4.36Å; V70-V268 HydrophobicContact CG2-CB 4.34Å; V70-V268 HydrophobicContact CG2-CG2 4.22Å; H249-V268 PolarHBondContact CD2-O 2.98Å; H249-V268 PolarHBondContact NE2-O 3.13Å; H249-V268 VanDerWaalsContact NE2-O 3.15Å; M253-V268 WeakPolarHBondContact CE-O 3.43Å; L258-V268 HydrophobicContact CD1-CG2 4.38Å; L258-V268 HydrophobicContact CD2-CG2 3.9Å; S264-V268 PolarHBondContact O-N 3.07Å; S264-V268 VanDerWaalsContact O-N 3.11Å; T265-V268 PolarHBondContact O-N 3.24Å
269V92.6Very high93.3Very high66 Ų6643.3 Ų43.340%0.424%0.244SC..THydrogen-bonded Turntrans-73.2-18.2170-67.30000112.5L258 T265 S266 Q267L258-V269 HydrophobicContact CD1-CG1 3.69Å; T265-V269 WeakPolarHBondContact O-CG1 3.23Å; S266-V269 WeakPolarHBondContact O-CG2 3.45Å; Q267-V269 PolarHBondContact O-N 3.27Å
270H94.3Very high93.7Very high19 Ų1941.7 Ų41.79%0.08823%0.233CC..SBendtrans-91148.3177.7-62.7-71.4000110.9H249 Q267 F336 I339H249-H270 PolarHBondContact CE1-O 3.28Å; H249-H270 PolarHBondContact NE2-O 3.36Å; H249-H270 VanDerWaalsContact NE2-O 3.17Å; Q267-H270 PolarHBondContact O-N 3.16Å; H270-F336 HydrophobicContact CB-CD2 4.21Å; H270-F336 HydrophobicContact CB-CE2 4.19Å; H270-F336 AromaticContact CD2-CD2 3.88Å; H270-F336 AromaticContact CE1-CD2 3.95Å; H270-F336 AromaticContact CG-CD2 3.69Å; H270-F336 AromaticContact ND1-CD2 3.75Å; H270-I339 WeakPolarHBondContact NE2-CD1 3.34Å
271P95.6Very high93.9Very high17 Ų1733.8 Ų33.811%0.1120%0.204CC..PPolyproline II helixtrans-49.2161.1170-21.325.2000113.4Q250 H273 M326 L330Q250-P271 HydrophobicContact CB-CG 4.35Å; Q250-P271 HydrophobicContact CG-CB 4.44Å; Q250-P271 HydrophobicContact CG-CG 3.81Å; P271-H273 PolarHBondContact O-CD2 3.01Å; P271-H273 PolarHBondContact O-N 3.03Å; P271-M326 HydrophobicContact CB-CE 4.1Å; P271-M326 HydrophobicContact CB-CG 3.46Å; P271-M326 VanDerWaalsContact CB-CG 3.46Å; P271-M326 HydrophobicContact CB-SD 3.74Å; P271-M326 HydrophobicContact CG-CE 4.07Å; P271-M326 HydrophobicContact CG-CG 3.94Å; P271-M326 HydrophobicContact CG-SD 3.54Å; P271-M326 VanDerWaalsContact CG-SD 3.54Å; P271-L330 HydrophobicContact CB-CD1 4.34Å; P271-L330 HydrophobicContact CG-CD1 4.28Å; P271-L330 HydrophobicContact CG-CD2 4.5Å
272I97.5Very high94.1Very high12 Ų1228.9 Ų28.96%0.06218%0.184CC..SBendtrans-56129.2171.6-56.7176.3000109.4L67 L71 V224 P227 V323L67-I272 HydrophobicContact CD1-CG1 4.5Å; L71-I272 HydrophobicContact CD1-CD1 4.11Å; L71-I272 HydrophobicContact CD2-CD1 3.83Å; L71-I272 HydrophobicContact CD2-CG1 4.16Å; V224-I272 HydrophobicContact CB-CG2 4.07Å; V224-I272 HydrophobicContact CG1-CG2 4.2Å; P227-I272 HydrophobicContact CB-CD1 3.53Å; P227-I272 HydrophobicContact CB-CG2 4.47Å; P227-I272 HydrophobicContact CG-CD1 4.17Å; P227-I272 HydrophobicContact CG-CG2 4.38Å; I272-V323 HydrophobicContact CG2-CG1 4.48Å
273H97.5Very high94Very high14 Ų1436.7 Ų36.77%0.06523%0.226CC..  trans-150.3165.6-171.669.270.5000112.6P271 A275 T327 L330 F336 F340P271-H273 PolarHBondContact O-CD2 3.01Å; P271-H273 PolarHBondContact O-N 3.03Å; H273-A275 PolarHBondContact ND1-N 3.03Å; H273-T327 WeakPolarHBondContact CA-OG1 3.36Å; H273-L330 HydrophobicContact CB-CD1 3.72Å; H273-F336 HydrophobicContact CB-CZ 4.39Å; H273-F336 AromaticContact CD2-CE2 3.54Å; H273-F336 AromaticContact CD2-CZ 3.87Å; H273-F336 AromaticContact CE1-CZ 3.83Å; H273-F336 AromaticContact CG-CE2 3.89Å; H273-F336 AromaticContact CG-CZ 3.75Å; H273-F336 AromaticContact ND1-CZ 3.73Å; H273-F336 AromaticContact NE2-CE2 3.67Å; H273-F336 AromaticContact NE2-CZ 3.94Å; H273-F340 AromaticContact CE1-CD1 3.93Å; H273-F340 AromaticContact CE1-CE1 3.46Å; H273-F340 VanDerWaalsContact CE1-CE1 3.46Å; H273-F340 WeakPolarHBondContact CE1-CE1 3.17Å; H273-F340 AromaticContact CE1-CE2 3.79Å; H273-F340 AromaticContact CE1-CZ 3.36Å; H273-F340 WeakPolarHBondContact CE1-CZ 3.49Å; H273-F340 AromaticContact NE2-CE1 3.67Å; H273-F340 AromaticContact NE2-CE2 3.42Å; H273-F340 WeakPolarHBondContact NE2-CE2 3.15Å; H273-F340 AromaticContact NE2-CZ 3.07Å; H273-F340 WeakPolarHBondContact NE2-CZ 3.47Å
274L97.2Very high94Very high34 Ų3435.7 Ų35.718%0.17823%0.228CC..SBendtrans-95.7-11.8-174.9-52.3176.5000115L225 S276 L277 P319 V323 V324 T327L225-L274 HydrophobicContact CD2-CD2 3.88Å; L274-S276 PolarHBondContact O-N 3.09Å; L274-L277 WeakPolarHBondContact O-CB 3.19Å; L274-L277 PolarHBondContact O-N 3.29Å; L274-P319 HydrophobicContact CD1-CB 3.79Å; L274-P319 HydrophobicContact CD1-CG 3.83Å; L274-P319 HydrophobicContact CD2-CB 4.19Å; L274-V323 HydrophobicContact CD2-CG1 3.69Å; L274-V323 HydrophobicContact CG-CG1 3.85Å; L274-V324 HydrophobicContact CD1-CG2 4.45Å; L274-T327 HydrophobicContact CB-CG2 4.06Å; L274-T327 PolarHBondContact N-OG1 3.28Å
275A95.2Very high94Very high33 Ų3336.1 Ų36.127%0.27323%0.231SC..THydrogen-bonded Turntrans-53.9-27.3-171.800000115.9H273 F336 F340H273-A275 PolarHBondContact ND1-N 3.03Å; A275-F336 HydrophobicContact CB-CE1 3.81Å; A275-F336 HydrophobicContact CB-CZ 3.69Å; A275-F340 HydrophobicContact CB-CB 4.16Å; A275-F340 HydrophobicContact CB-CD1 4.46Å; A275-F340 HydrophobicContact CB-CG 4.25Å
276S95.2Very high94.2Very high12 Ų1238 Ų388%0.08424%0.242CC..THydrogen-bonded Turntrans-89-11179-79.50000114.7R166 L274 S279 F340R166-S276 PolarHBondContact NH2-O 2.98Å; L274-S276 PolarHBondContact O-N 3.09Å; S276-S279 PolarHBondContact O-OG 3.1Å; S276-F340 VanDerWaalsContact OG-CD1 3.26Å; S276-F340 WeakPolarHBondContact OG-CD1 3.42Å; S276-F340 WeakPolarHBondContact OG-CE1 3.33Å
277L95.7Very high94.5Very high16 Ų1636.1 Ų36.18%0.08423%0.228CC..SBendtrans-62.5-54.4-167.7-171.766.8000111.7E221 V224 L225 L274 Y316E221-L277 HydrophobicContact CB-CD1 3.76Å; E221-L277 HydrophobicContact CG-CD1 3.52Å; V224-L277 HydrophobicContact CG2-CD1 3.97Å; L225-L277 HydrophobicContact CD1-CD2 4.44Å; L225-L277 HydrophobicContact CD2-CD2 3.81Å; L225-L277 HydrophobicContact CG-CD2 4.22Å; L274-L277 WeakPolarHBondContact O-CB 3.19Å; L274-L277 PolarHBondContact O-N 3.29Å; L277-Y316 HydrophobicContact CD1-CD2 3.81Å; L277-Y316 HydrophobicContact CD1-CE2 4.33Å; L277-Y316 HydrophobicContact CD1-CG 4.25Å; L277-Y316 HydrophobicContact CD2-CD2 4.04Å; L277-Y316 HydrophobicContact CG-CD2 3.62Å; L277-Y316 HydrophobicContact CG-CE2 4.11Å; L277-Y316 HydrophobicContact CG-CG 4.47Å
278T94.8Very high94.6Very high62 Ų6237.6 Ų37.638%0.3824%0.24SC..SBendtrans-110.45.6-173.953.70000113.7W280 A281 P313 Y316T278-W280 PolarHBondContact O-N 2.97Å; T278-A281 PolarHBondContact O-N 3.24Å; T278-P313 HydrophobicContact CG2-CB 3.93Å; T278-P313 HydrophobicContact CG2-CG 3.58Å; T278-Y316 HydrophobicContact CG2-CD2 4.33Å; T278-Y316 HydrophobicContact CG2-CE2 4.11Å
279S93.8Very high94.5Very high32 Ų3245.1 Ų45.122%0.22427%0.274CS..G310 helixtrans-53.6-28.3-17662.40000114.6S276 A281 S282S276-S279 PolarHBondContact O-OG 3.1Å; S279-A281 VanDerWaalsContact C-N 3.29Å; S279-A281 PolarHBondContact O-N 2.98Å; S279-S282 PolarHBondContact O-N 3.34Å; S279-S282 PolarHBondContact O-OG 3.02Å
280W96.1Very high94.5Very high0 Ų045.8 Ų45.80%028%0.282CS..G310 helixtrans-72.5-1917970.3-92.6000114.1R169 A170 N173 T278 S285 L287 I292 V312 P313 Y316R169-W280 HydrophobicContact CB-CD2 3.67Å; R169-W280 HydrophobicContact CB-CE3 3.48Å; R169-W280 VanDerWaalsContact CB-CE3 3.48Å; R169-W280 HydrophobicContact CB-CG 4.29Å; R169-W280 HydrophobicContact CB-CH2 4.23Å; R169-W280 HydrophobicContact CB-CZ2 4.35Å; R169-W280 HydrophobicContact CB-CZ3 3.78Å; R169-W280 VanDerWaalsContact CD-CZ3 3.45Å; R169-W280 HydrophobicContact CG-CE3 4.3Å; R169-W280 HydrophobicContact CG-CH2 4.46Å; R169-W280 HydrophobicContact CG-CZ3 4.12Å; R169-W280 VanDerWaalsContact CZ-CH2 3.43Å; R169-W280 VanDerWaalsContact NE-CH2 3.32Å; A170-W280 HydrophobicContact CB-CG 4.14Å; N173-W280 HydrophobicContact CB-CB 3.65Å; N173-W280 WeakPolarHBondContact ND2-CA 3.33Å; T278-W280 PolarHBondContact O-N 2.97Å; W280-S285 WeakPolarHBondContact O-CB 3.31Å; W280-S285 PolarHBondContact O-OG 3.42Å; W280-L287 HydrophobicContact CB-CD1 4.42Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; W280-I292 HydrophobicContact CE3-CG1 4.2Å; W280-I292 HydrophobicContact CZ3-CB 4.42Å; W280-I292 HydrophobicContact CZ3-CG1 4.18Å; W280-I292 HydrophobicContact CZ3-CG2 3.95Å; W280-I292 WeakPolarHBondContact O-CD1 3.42Å; W280-V312 HydrophobicContact CH2-CG1 4.09Å; W280-V312 HydrophobicContact CZ3-CG1 4.19Å; W280-P313 HydrophobicContact CH2-CB 4.49Å; W280-P313 HydrophobicContact CZ2-CB 3.82Å; W280-Y316 WeakPolarHBondContact CZ2-OH 3.25Å; W280-Y316 PolarHBondContact NE1-OH 3.42Å
281A94.4Very high94.6Very high29 Ų2945.2 Ų45.224%0.2428%0.279CS..G310 helixtrans-1021.4176.800000112.5T278 S279 V312 P313T278-A281 PolarHBondContact O-N 3.24Å; S279-A281 VanDerWaalsContact C-N 3.29Å; S279-A281 PolarHBondContact O-N 2.98Å; A281-V312 HydrophobicContact CB-CG1 4.14Å; A281-P313 HydrophobicContact CB-CB 3.83Å; A281-P313 HydrophobicContact CB-CG 4.08Å
282S92.3Very high94.4Very high59 Ų5945.4 Ų45.441%0.41328%0.279SS..SBendtrans-85.4165.5178.175.50000112.2S279 G284 S285S279-S282 PolarHBondContact O-N 3.34Å; S279-S282 PolarHBondContact O-OG 3.02Å; S282-G284 PolarHBondContact O-N 3.25Å; S282-G284 PolarHBondContact OG-N 3.46Å; S282-S285 WeakPolarHBondContact O-CB 3.42Å; S282-S285 PolarHBondContact O-N 2.83Å
283N88.9Confident94Very high178 Ų17847.2 Ų47.295%0.95229%0.293SS*.THydrogen-bonded Turntrans-57-18.9172.6-68.8-3.9000113.8S285N283-S285 VanDerWaalsContact C-N 3.32Å
284G89.1Confident93.7Very high46 Ų4648.3 Ų48.347%0.47430%0.302SS..THydrogen-bonded Turntrans-87.56.7175.900000114.6S282S282-G284 PolarHBondContact O-N 3.25Å; S282-G284 PolarHBondContact OG-N 3.46Å
285S94.7Very high93.5Very high24 Ų2447.1 Ų47.117%0.16830%0.296CS..  trans-69.5145.9176.5-169.80000111.5N173 W280 S282 N283 L287N173-S285 PolarHBondContact OD1-OG 3.2Å; W280-S285 WeakPolarHBondContact O-CB 3.31Å; W280-S285 PolarHBondContact O-OG 3.42Å; S282-S285 WeakPolarHBondContact O-CB 3.42Å; S282-S285 PolarHBondContact O-N 2.83Å; N283-S285 VanDerWaalsContact C-N 3.32Å; S285-L287 VanDerWaalsContact C-N 3.35Å; S285-L287 PolarHBondContact OG-N 2.9Å
286V95.3Very high93.3Very high60 Ų6046.1 Ų46.136%0.36429%0.286SS..  trans-94.42.1172.3-58.40000112.4N173 V176 K177N173-V286 WeakPolarHBondContact OD1-CG2 3.27Å; N173-V286 PolarHBondContact OD1-N 3.27Å; N173-V286 VanDerWaalsContact OD1-N 3.11Å; V176-V286 HydrophobicContact CB-CG2 3.62Å; V176-V286 HydrophobicContact CG1-CB 4.24Å; V176-V286 HydrophobicContact CG1-CG2 3.52Å; K177-V286 HydrophobicContact CB-CG1 4.17Å; K177-V286 HydrophobicContact CB-CG2 4.23Å; K177-V286 HydrophobicContact CG-CG1 4.41Å
287L96.4Very high93.1Very high12 Ų1252 Ų526%0.06331%0.306CS..SBendtrans-86139.6179.3-57.7178.3000110.4R169 I172 N173 I189 W280 S285 F291 I292R169-L287 HydrophobicContact CB-CD1 4.37Å; R169-L287 WeakPolarHBondContact O-CD1 3.16Å; I172-L287 HydrophobicContact CB-CD2 4.38Å; I172-L287 HydrophobicContact CG2-CD2 3.9Å; N173-L287 HydrophobicContact CB-CD1 3.9Å; N173-L287 HydrophobicContact CB-CD2 4.46Å; N173-L287 HydrophobicContact CB-CG 4Å; I189-L287 HydrophobicContact CD1-CD2 4.26Å; I189-L287 HydrophobicContact CG2-CD2 3.85Å; W280-L287 HydrophobicContact CB-CD1 4.42Å; W280-L287 HydrophobicContact CE3-CD1 4.48Å; S285-L287 VanDerWaalsContact C-N 3.35Å; S285-L287 PolarHBondContact OG-N 2.9Å; L287-F291 HydrophobicContact CB-CD1 4.12Å; L287-F291 HydrophobicContact CD1-CD1 3.94Å; L287-F291 HydrophobicContact CD1-CE1 3.84Å; L287-F291 HydrophobicContact CD2-CD1 4.25Å; L287-F291 HydrophobicContact CD2-CE1 4.19Å; L287-F291 HydrophobicContact CG-CD1 4.34Å; L287-F291 HydrophobicContact CG-CE1 4.49Å; L287-I292 HydrophobicContact CB-CD1 4.01Å; L287-I292 HydrophobicContact CB-CG1 3.88Å; L287-I292 HydrophobicContact CD1-CG1 4.29Å
288P95.6Very high92.8Very high57 Ų5757.4 Ų57.437%0.3733%0.331SS..  trans-58.7145171.1-23.633.4000112I189 S290 F291 I292I189-P288 HydrophobicContact CD1-CG 4.31Å; P288-S290 PolarHBondContact O-N 2.95Å; P288-F291 HydrophobicContact CB-CB 4.23Å; P288-F291 HydrophobicContact CG-CB 4.46Å; P288-F291 WeakPolarHBondContact O-CB 3.41Å; P288-F291 PolarHBondContact O-N 3.24Å; P288-F291 VanDerWaalsContact O-N 3.09Å; P288-I292 PolarHBondContact O-N 3.28Å
289E92.8Very high92.8Very high165 Ų16554.5 Ų54.577%0.77131%0.313SS*.Hα-helixtrans-60.3-35.6176.2-172.6176.5-175.100112.1F291 I292 S293E289-F291 PolarHBondContact O-N 3.46Å; E289-I292 PolarHBondContact O-N 2.59Å; E289-S293 VanDerWaalsContact O-CB 3.29Å; E289-S293 WeakPolarHBondContact O-CB 3.18Å; E289-S293 PolarHBondContact O-N 2.7Å; E289-S293 PolarHBondContact O-OG 2.78Å
290S93Very high92.8Very high81 Ų8158.3 Ų58.357%0.56633%0.331SS*.Hα-helixtrans-59.2-46.6172.953.60000111.8P288 S293 S294P288-S290 PolarHBondContact O-N 2.95Å; S290-S293 PolarHBondContact O-N 3.44Å; S290-S293 PolarHBondContact O-OG 3.32Å; S290-S293 VanDerWaalsContact O-OG 3.08Å; S290-S294 PolarHBondContact O-N 2.99Å; S290-S294 VanDerWaalsContact O-N 3.09Å; S290-S294 PolarHBondContact O-OG 3.37Å
291F94.8Very high92.9Very high6 Ų658.9 Ų58.93%0.02633%0.334CS..Hα-helixtrans-61.3-49.5176.9177.9-90.1000111.4R169 I189 D190 F193 L287 P288 E289 S293 S294 I295R169-F291 HydrophobicContact CG-CE1 4.15Å; I189-F291 HydrophobicContact CG2-CD1 4.32Å; I189-F291 HydrophobicContact CG2-CD2 3.81Å; I189-F291 HydrophobicContact CG2-CE1 4.33Å; I189-F291 HydrophobicContact CG2-CE2 3.8Å; I189-F291 HydrophobicContact CG2-CG 4.06Å; I189-F291 HydrophobicContact CG2-CZ 4.07Å; D190-F291 WeakPolarHBondContact OD1-CD2 3.45Å; F193-F291 HydrophobicContact CB-CE2 3.8Å; F193-F291 HydrophobicContact CB-CZ 3.76Å; F193-F291 HydrophobicContact CD2-CE2 4.29Å; F193-F291 AromaticContact CD2-CZ 3.58Å; F193-F291 HydrophobicContact CD2-CZ 3.58Å; F193-F291 HydrophobicContact CE2-CZ 4.38Å; F193-F291 HydrophobicContact CG-CE2 4.02Å; F193-F291 AromaticContact CG-CZ 3.76Å; F193-F291 HydrophobicContact CG-CZ 3.76Å; L287-F291 HydrophobicContact CB-CD1 4.12Å; L287-F291 HydrophobicContact CD1-CD1 3.94Å; L287-F291 HydrophobicContact CD1-CE1 3.84Å; L287-F291 HydrophobicContact CD2-CD1 4.25Å; L287-F291 HydrophobicContact CD2-CE1 4.19Å; L287-F291 HydrophobicContact CG-CD1 4.34Å; L287-F291 HydrophobicContact CG-CE1 4.49Å; P288-F291 HydrophobicContact CB-CB 4.23Å; P288-F291 HydrophobicContact CG-CB 4.46Å; P288-F291 WeakPolarHBondContact O-CB 3.41Å; P288-F291 PolarHBondContact O-N 3.24Å; P288-F291 VanDerWaalsContact O-N 3.09Å; E289-F291 PolarHBondContact O-N 3.46Å; F291-S293 VanDerWaalsContact C-N 3.28Å; F291-S293 PolarHBondContact O-N 2.94Å; F291-S294 PolarHBondContact O-N 2.93Å; F291-I295 HydrophobicContact CD1-CG2 4.25Å; F291-I295 HydrophobicContact CD2-CB 4.19Å; F291-I295 HydrophobicContact CD2-CD1 4.32Å; F291-I295 HydrophobicContact CD2-CG1 4.22Å; F291-I295 HydrophobicContact CE1-CG2 3.96Å; F291-I295 HydrophobicContact CE2-CB 4.07Å; F291-I295 HydrophobicContact CE2-CD1 3.9Å; F291-I295 HydrophobicContact CE2-CG1 3.67Å; F291-I295 HydrophobicContact CE2-CG2 4.38Å; F291-I295 HydrophobicContact CG-CB 4.5Å; F291-I295 HydrophobicContact CZ-CB 4.23Å; F291-I295 HydrophobicContact CZ-CG1 3.9Å; F291-I295 HydrophobicContact CZ-CG2 4.05Å; F291-I295 VanDerWaalsContact O-CB 3.25Å; F291-I295 WeakPolarHBondContact O-CB 3.27Å; F291-I295 WeakPolarHBondContact O-CG2 3.39Å; F291-I295 PolarHBondContact O-N 2.67Å
292I92.7Very high93Very high21 Ų2157.5 Ų57.511%0.10832%0.323CS..Hα-helixtrans-55.8-44.4178.8-76.5173.6000111.4W280 L287 P288 E289 V312W280-I292 HydrophobicContact CE3-CG1 4.2Å; W280-I292 HydrophobicContact CZ3-CB 4.42Å; W280-I292 HydrophobicContact CZ3-CG1 4.18Å; W280-I292 HydrophobicContact CZ3-CG2 3.95Å; W280-I292 WeakPolarHBondContact O-CD1 3.42Å; L287-I292 HydrophobicContact CB-CD1 4.01Å; L287-I292 HydrophobicContact CB-CG1 3.88Å; L287-I292 HydrophobicContact CD1-CG1 4.29Å; P288-I292 PolarHBondContact O-N 3.28Å; E289-I292 PolarHBondContact O-N 2.59Å; I292-V312 HydrophobicContact CG2-CG1 3.28Å
293S88.1Confident93.1Very high50 Ų5059.1 Ų59.135%0.3532%0.322SS..Hα-helixtrans-82-20.6-172.3620000114.6E289 S290 F291 H296 R297E289-S293 VanDerWaalsContact O-CB 3.29Å; E289-S293 WeakPolarHBondContact O-CB 3.18Å; E289-S293 PolarHBondContact O-N 2.7Å; E289-S293 PolarHBondContact O-OG 2.78Å; S290-S293 PolarHBondContact O-N 3.44Å; S290-S293 PolarHBondContact O-OG 3.32Å; S290-S293 VanDerWaalsContact O-OG 3.08Å; F291-S293 VanDerWaalsContact C-N 3.28Å; F291-S293 PolarHBondContact O-N 2.94Å; S293-H296 PolarHBondContact O-CE1 2.72Å; S293-R297 PolarHBondContact O-NH1 2.94Å; S293-R297 VanDerWaalsContact O-NH1 3.13Å; S293-R297 PolarHBondContact O-NH2 2.8Å
294S91.7Very high93.4Very high37 Ų3755.4 Ų55.426%0.25931%0.307SS..Hα-helixtrans-115.9-33-17671.20000115.6S290 F291 H296 R297S290-S294 PolarHBondContact O-N 2.99Å; S290-S294 VanDerWaalsContact O-N 3.09Å; S290-S294 PolarHBondContact O-OG 3.37Å; F291-S294 PolarHBondContact O-N 2.93Å; S294-H296 PolarHBondContact O-N 2.7Å; S294-R297 WeakPolarHBondContact O-CB 3.47Å; S294-R297 PolarHBondContact O-N 3.01Å
295I93.4Very high93.8Very high9 Ų953.7 Ų53.75%0.04629%0.286CS..Hα-helixtrans-59.7-27.9-164.6-163.964.3000114R169 F193 F291 R297 E298 S299R169-I295 HydrophobicContact CG-CG2 3.73Å; F193-I295 HydrophobicContact CD1-CD1 3.64Å; F193-I295 HydrophobicContact CD1-CG1 3.52Å; F193-I295 HydrophobicContact CD2-CG1 4.09Å; F193-I295 HydrophobicContact CE1-CD1 3.81Å; F193-I295 HydrophobicContact CE1-CG1 3.39Å; F193-I295 HydrophobicContact CE2-CG1 3.94Å; F193-I295 HydrophobicContact CE2-CG2 4.45Å; F193-I295 HydrophobicContact CG-CD1 4.24Å; F193-I295 HydrophobicContact CG-CG1 3.87Å; F193-I295 HydrophobicContact CZ-CG1 3.6Å; F291-I295 HydrophobicContact CD1-CG2 4.25Å; F291-I295 HydrophobicContact CD2-CB 4.19Å; F291-I295 HydrophobicContact CD2-CD1 4.32Å; F291-I295 HydrophobicContact CD2-CG1 4.22Å; F291-I295 HydrophobicContact CE1-CG2 3.96Å; F291-I295 HydrophobicContact CE2-CB 4.07Å; F291-I295 HydrophobicContact CE2-CD1 3.9Å; F291-I295 HydrophobicContact CE2-CG1 3.67Å; F291-I295 HydrophobicContact CE2-CG2 4.38Å; F291-I295 HydrophobicContact CG-CB 4.5Å; F291-I295 HydrophobicContact CZ-CB 4.23Å; F291-I295 HydrophobicContact CZ-CG1 3.9Å; F291-I295 HydrophobicContact CZ-CG2 4.05Å; F291-I295 VanDerWaalsContact O-CB 3.25Å; F291-I295 WeakPolarHBondContact O-CB 3.27Å; F291-I295 WeakPolarHBondContact O-CG2 3.39Å; F291-I295 PolarHBondContact O-N 2.67Å; I295-R297 VanDerWaalsContact C-N 3.26Å; I295-R297 PolarHBondContact O-N 2.86Å; I295-E298 PolarHBondContact O-N 2.98Å; I295-S299 PolarHBondContact O-N 3.16Å
296H90.4Very high93.7Very high13 Ų1356.1 Ų56.16%0.0630%0.303CS..Hα-helixtrans-66.5-26.2178.364.2-91.9000113.7S293 S294 E298 L302 A308 D309S293-H296 PolarHBondContact O-CE1 2.72Å; S294-H296 PolarHBondContact O-N 2.7Å; H296-E298 VanDerWaalsContact C-N 3.33Å; H296-L302 HydrophobicContact CB-CD1 4.09Å; H296-A308 HydrophobicContact CB-CB 4.28Å; H296-A308 WeakPolarHBondContact O-CB 3.47Å; H296-D309 IonicContact CD2-OD1 3.42Å; H296-D309 PolarHBondContact CD2-OD1 3.25Å; H296-D309 IonicContact NE2-OD1 2.68Å
297R90.4Very high93.7Very high135 Ų13553.5 Ų53.551%0.50929%0.287SS..Hα-helixtrans-72.8-29.4179.6-64.6-170.2-92.3-91.26.4112.3S293 S294 I295 K303S293-R297 PolarHBondContact O-NH1 2.94Å; S293-R297 VanDerWaalsContact O-NH1 3.13Å; S293-R297 PolarHBondContact O-NH2 2.8Å; S294-R297 WeakPolarHBondContact O-CB 3.47Å; S294-R297 PolarHBondContact O-N 3.01Å; I295-R297 VanDerWaalsContact C-N 3.26Å; I295-R297 PolarHBondContact O-N 2.86Å; R297-K303 VanDerWaalsContact O-CE 3.3Å; R297-K303 WeakPolarHBondContact O-CE 3.49Å; R297-K303 PolarHBondContact O-NZ 3.35Å
298E89.3Confident93.3Very high130 Ų13053.5 Ų53.561%0.60729%0.289SS*.Hα-helixtrans-96.8-12.9-174.9-65.4172.8-146.200113I295 H296I295-E298 PolarHBondContact O-N 2.98Å; H296-E298 VanDerWaalsContact C-N 3.33Å
299S94.9Very high92.6Very high0 Ų056 Ų560%030%0.299CS..  trans-95.2113.1-174.3178.60000113.5E197 I295 V301 L302 K303E197-S299 WeakPolarHBondContact OE1-CA 3.19Å; E197-S299 VanDerWaalsContact OE1-CB 3.24Å; E197-S299 WeakPolarHBondContact OE1-CB 3.43Å; E197-S299 PolarHBondContact OE1-OG 3.28Å; I295-S299 PolarHBondContact O-N 3.16Å; S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 2.87Å; S299-L302 PolarHBondContact O-N 3.02Å; S299-L302 WeakPolarHBondContact OG-CG 3.19Å; S299-L302 PolarHBondContact OG-N 3.34Å; S299-L302 VanDerWaalsContact OG-N 3.1Å; S299-K303 WeakPolarHBondContact O-CG 3.34Å; S299-K303 PolarHBondContact O-N 2.94Å
300D94.9Very high92Very high112 Ų11252.4 Ų52.460%0.59929%0.285SS*.Hα-helixtrans-66.9-32.7173.8-73.2-20.7000112.1E197 K303 T304E197-D300 PolarHBondContact OE1-N 3.11Å; D300-K303 PolarHBondContact O-N 3.47Å; D300-T304 WeakPolarHBondContact O-CB 3.21Å; D300-T304 PolarHBondContact O-N 3.39Å; D300-T304 PolarHBondContact O-OG1 3.07Å
301V97.1Very high91.6Very high12 Ų1250.6 Ų50.67%0.07328%0.279CS..Hα-helixtrans-72.1-39.8178.2173.10000111.3W196 E197 V200 L204 S299 K303 T304 L305W196-V301 HydrophobicContact CH2-CB 4.16Å; W196-V301 HydrophobicContact CH2-CG1 3.57Å; W196-V301 HydrophobicContact CZ2-CG1 4.07Å; W196-V301 HydrophobicContact CZ3-CB 4.26Å; W196-V301 HydrophobicContact CZ3-CG1 4.09Å; E197-V301 HydrophobicContact CG-CB 4.1Å; E197-V301 HydrophobicContact CG-CG2 3.79Å; E197-V301 WeakPolarHBondContact O-CG2 3.49Å; E197-V301 PolarHBondContact OE1-N 3.07Å; V200-V301 HydrophobicContact CB-CG1 4.12Å; V200-V301 HydrophobicContact CG1-CG1 3.66Å; L204-V301 HydrophobicContact CD1-CG1 4.34Å; S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 2.87Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.44Å; V301-T304 PolarHBondContact O-N 3.32Å; V301-L305 HydrophobicContact CG1-CD1 3.78Å; V301-L305 HydrophobicContact CG1-CG 4.35Å; V301-L305 WeakPolarHBondContact O-CB 3.48Å; V301-L305 WeakPolarHBondContact O-CG 3.37Å; V301-L305 PolarHBondContact O-N 3.09Å
302L96.7Very high91.2Very high0 Ų053.7 Ų53.70%030%0.298CS..Hα-helixtrans-62.9-39.4173.2-70.2178.4000111.3F193 W196 H296 S299 L305 S306 Y307 A308F193-L302 HydrophobicContact CE2-CD1 3.98Å; F193-L302 HydrophobicContact CE2-CG 4.48Å; F193-L302 HydrophobicContact CZ-CD1 3.6Å; F193-L302 HydrophobicContact CZ-CG 4.02Å; W196-L302 HydrophobicContact CH2-CD2 3.6Å; W196-L302 HydrophobicContact CH2-CG 3.96Å; W196-L302 HydrophobicContact CZ2-CD2 4.44Å; W196-L302 HydrophobicContact CZ3-CD2 4.17Å; W196-L302 HydrophobicContact CZ3-CG 4.13Å; H296-L302 HydrophobicContact CB-CD1 4.09Å; S299-L302 PolarHBondContact O-N 3.02Å; S299-L302 WeakPolarHBondContact OG-CG 3.19Å; S299-L302 PolarHBondContact OG-N 3.34Å; S299-L302 VanDerWaalsContact OG-N 3.1Å; L302-L305 PolarHBondContact O-N 3.47Å; L302-S306 PolarHBondContact O-N 3.08Å; L302-S306 VanDerWaalsContact O-N 3.16Å; L302-Y307 HydrophobicContact CD2-CD2 3.85Å; L302-Y307 HydrophobicContact CD2-CG 4.25Å; L302-Y307 PolarHBondContact O-N 3.09Å; L302-A308 HydrophobicContact CB-CB 4.29Å; L302-A308 PolarHBondContact O-N 3.37Å
303K95.2Very high91Very high93 Ų9354.9 Ų54.940%0.40431%0.307SS..Hα-helixtrans-62.4-48.9173.5-70.2170.2-171.8166.20111.9R297 S299 D300 V301 L305 S306 A308R297-K303 VanDerWaalsContact O-CE 3.3Å; R297-K303 WeakPolarHBondContact O-CE 3.49Å; R297-K303 PolarHBondContact O-NZ 3.35Å; S299-K303 WeakPolarHBondContact O-CG 3.34Å; S299-K303 PolarHBondContact O-N 2.94Å; D300-K303 PolarHBondContact O-N 3.47Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.44Å; K303-L305 PolarHBondContact O-N 2.98Å; K303-S306 PolarHBondContact O-N 3Å; K303-A308 HydrophobicContact CB-CB 4.34Å; K303-A308 HydrophobicContact CG-CB 3.56Å
304T95.7Very high91.1Very high101 Ų10152.7 Ų52.762%0.6229%0.292SS*.Hα-helixtrans-59.2-37179.6-60.50000111.9L204 D300 V301 S306L204-T304 HydrophobicContact CD1-CG2 4.43Å; D300-T304 WeakPolarHBondContact O-CB 3.21Å; D300-T304 PolarHBondContact O-N 3.39Å; D300-T304 PolarHBondContact O-OG1 3.07Å; V301-T304 PolarHBondContact O-N 3.32Å; T304-S306 VanDerWaalsContact C-N 3.31Å
305L95.9Very high91.1Very high9 Ų957 Ų575%0.04731%0.312CS..THydrogen-bonded Turntrans-89.18178.3-64.2175.6000113.5V165 V200 L204 K219 V301 L302 K303 Y307V165-L305 HydrophobicContact CB-CD1 4.1Å; V165-L305 HydrophobicContact CB-CD2 4.46Å; V165-L305 HydrophobicContact CG1-CD1 4.42Å; V165-L305 HydrophobicContact CG2-CD1 4.39Å; V165-L305 HydrophobicContact CG2-CD2 4.04Å; V200-L305 HydrophobicContact CG1-CD1 4.16Å; L204-L305 HydrophobicContact CD1-CD1 4.4Å; L204-L305 HydrophobicContact CD1-CD2 4.01Å; L204-L305 HydrophobicContact CD1-CG 4.19Å; L204-L305 HydrophobicContact CD2-CD2 4.09Å; K219-L305 WeakPolarHBondContact CE-O 3.13Å; K219-L305 PolarHBondContact NZ-O 3.17Å; V301-L305 HydrophobicContact CG1-CD1 3.78Å; V301-L305 HydrophobicContact CG1-CG 4.35Å; V301-L305 WeakPolarHBondContact O-CB 3.48Å; V301-L305 WeakPolarHBondContact O-CG 3.37Å; V301-L305 PolarHBondContact O-N 3.09Å; L302-L305 PolarHBondContact O-N 3.47Å; K303-L305 PolarHBondContact O-N 2.98Å; L305-Y307 VanDerWaalsContact C-N 3.35Å; L305-Y307 HydrophobicContact CB-CD2 3.4Å; L305-Y307 HydrophobicContact CB-CE2 3.34Å; L305-Y307 HydrophobicContact CB-CG 4.37Å; L305-Y307 HydrophobicContact CD1-CD2 4.25Å; L305-Y307 HydrophobicContact CD1-CE2 3.77Å; L305-Y307 HydrophobicContact CG-CD2 4.47Å; L305-Y307 HydrophobicContact CG-CE2 4.16Å; L305-Y307 PolarHBondContact O-N 3.5Å
306S94.2Very high91.2Very high75 Ų7558.1 Ų58.152%0.52432%0.316SS..THydrogen-bonded Turntrans57.942.2179.1-39.70000113.3L302 K303 T304 L310L302-S306 PolarHBondContact O-N 3.08Å; L302-S306 VanDerWaalsContact O-N 3.16Å; K303-S306 PolarHBondContact O-N 3Å; T304-S306 VanDerWaalsContact C-N 3.31Å; S306-L310 WeakPolarHBondContact O-CD1 3.39Å
307Y94Very high91.4Very high5 Ų559.1 Ų59.12%0.0233%0.329CS..  trans-109.2-9.1174.2-60.3-54.8000113.3D167 R169 E221 L302 L305 P314 Y316D167-Y307 HydrophobicContact CB-CD1 4.35Å; D167-Y307 HydrophobicContact CB-CD2 4.44Å; D167-Y307 HydrophobicContact CB-CE1 4.39Å; D167-Y307 HydrophobicContact CB-CE2 4.49Å; D167-Y307 HydrophobicContact CB-CG 4.37Å; R169-Y307 PolarHBondContact NH2-O 2.93Å; E221-Y307 HydrophobicContact CG-CE1 4.43Å; E221-Y307 PolarHBondContact OE2-OH 2.83Å; L302-Y307 HydrophobicContact CD2-CD2 3.85Å; L302-Y307 HydrophobicContact CD2-CG 4.25Å; L302-Y307 PolarHBondContact O-N 3.09Å; L305-Y307 VanDerWaalsContact C-N 3.35Å; L305-Y307 HydrophobicContact CB-CD2 3.4Å; L305-Y307 HydrophobicContact CB-CE2 3.34Å; L305-Y307 HydrophobicContact CB-CG 4.37Å; L305-Y307 HydrophobicContact CD1-CD2 4.25Å; L305-Y307 HydrophobicContact CD1-CE2 3.77Å; L305-Y307 HydrophobicContact CG-CD2 4.47Å; L305-Y307 HydrophobicContact CG-CE2 4.16Å; L305-Y307 PolarHBondContact O-N 3.5Å; Y307-P314 WeakPolarHBondContact O-CG 3.14Å; Y307-Y316 HydrophobicContact CD1-CD1 4.09Å; Y307-Y316 AromaticContact CD1-CE1 3.72Å; Y307-Y316 HydrophobicContact CD1-CE1 3.72Å; Y307-Y316 HydrophobicContact CE1-CD1 4.07Å; Y307-Y316 AromaticContact CE1-CE1 3.93Å; Y307-Y316 HydrophobicContact CE1-CE1 3.93Å
308A89Confident91.7Very high12 Ų1258.1 Ų58.110%0.09934%0.338CS..SBendtrans-91.8149.1-178.600000112.3H296 L302 K303 L310H296-A308 HydrophobicContact CB-CB 4.28Å; H296-A308 WeakPolarHBondContact O-CB 3.47Å; L302-A308 HydrophobicContact CB-CB 4.29Å; L302-A308 PolarHBondContact O-N 3.37Å; K303-A308 HydrophobicContact CB-CB 4.34Å; K303-A308 HydrophobicContact CG-CB 3.56Å; A308-L310 VanDerWaalsContact C-N 3.29Å; A308-L310 WeakPolarHBondContact O-CG 3.32Å; A308-L310 PolarHBondContact O-N 2.91Å
309D80.6Confident92.1Very high109 Ų10953.4 Ų53.458%0.58332%0.319SS*.SBendtrans6226.6173.1-50.5-41.6000115.8H296H296-D309 IonicContact CD2-OD1 3.42Å; H296-D309 PolarHBondContact CD2-OD1 3.25Å; H296-D309 IonicContact NE2-OD1 2.68Å
310L79.9Confident92.3Very high91 Ų9154.4 Ų54.448%0.47632%0.324SS..SBendtrans-110.810.4-178-64.9177.8000114.4S306 A308 P314S306-L310 WeakPolarHBondContact O-CD1 3.39Å; A308-L310 VanDerWaalsContact C-N 3.29Å; A308-L310 WeakPolarHBondContact O-CG 3.32Å; A308-L310 PolarHBondContact O-N 2.91Å; L310-P314 HydrophobicContact CB-CB 3.75Å; L310-P314 HydrophobicContact CB-CG 4.34Å; L310-P314 HydrophobicContact CD1-CB 4.08Å
311G84.5Confident92.4Very high43 Ų4355.2 Ų55.244%0.44333%0.328SS..THydrogen-bonded Turntrans90.9179.3-16900000113.5P313G311-P313 CarbonylContact C-O 3.16Å; G311-P313 CarbonylContact O-C 3.47Å
312V86.4Confident92.3Very high70 Ų7061.2 Ų61.242%0.42436%0.355SS..THydrogen-bonded Turntrans-129.8108.9-177.1176.90000109.4W280 A281 I292W280-V312 HydrophobicContact CH2-CG1 4.09Å; W280-V312 HydrophobicContact CZ3-CG1 4.19Å; A281-V312 HydrophobicContact CB-CG1 4.14Å; I292-V312 HydrophobicContact CG2-CG1 3.28Å
313P88.9Confident92.4Very high47 Ų4761.5 Ų61.531%0.30536%0.357SS..THydrogen-bonded Turncis-68.2161.9-10.733-35.5000111.7T278 W280 A281 G311 Y316T278-P313 HydrophobicContact CG2-CB 3.93Å; T278-P313 HydrophobicContact CG2-CG 3.58Å; W280-P313 HydrophobicContact CH2-CB 4.49Å; W280-P313 HydrophobicContact CZ2-CB 3.82Å; A281-P313 HydrophobicContact CB-CB 3.83Å; A281-P313 HydrophobicContact CB-CG 4.08Å; G311-P313 CarbonylContact C-O 3.16Å; G311-P313 CarbonylContact O-C 3.47Å; P313-Y316 HydrophobicContact CB-CE2 4.37Å
314P89.2Confident92.5Very high4 Ų459.5 Ų59.53%0.02635%0.353CS..THydrogen-bonded Turntrans-56148.6165.6-25.836000112R169 Y307 L310 Y316R169-P314 VanDerWaalsContact NH2-CG 3.26Å; Y307-P314 WeakPolarHBondContact O-CG 3.14Å; L310-P314 HydrophobicContact CB-CB 3.75Å; L310-P314 HydrophobicContact CB-CG 4.34Å; L310-P314 HydrophobicContact CD1-CB 4.08Å; P314-Y316 HydrophobicContact CB-CD1 4.2Å; P314-Y316 HydrophobicContact CB-CE1 3.95Å; P314-Y316 HydrophobicContact CG-CE1 4.06Å; P314-Y316 PolarHBondContact O-N 3.29Å; P314-Y316 VanDerWaalsContact O-N 3.16Å
315D92.7Very high92.5Very high128 Ų12859.2 Ų59.268%0.68435%0.348SS*.  trans-69107.3159.1-1777000108.8G317D315-G317 VanDerWaalsContact C-N 3.29Å; D315-G317 PolarHBondContact OD1-N 2.85Å
316Y95.2Very high92.5Very high31 Ų3161.9 Ų61.912%0.12236%0.36CS..  trans-81.6-8.9179.2-62.5-62.3000113.1D167 E221 L225 L277 T278 W280 Y307 P313 P314D167-Y316 HydrophobicContact CB-CE1 4.25Å; D167-Y316 PolarHBondContact OD2-OH 3.36Å; E221-Y316 HydrophobicContact CB-CD1 4.1Å; E221-Y316 HydrophobicContact CB-CG 4.07Å; E221-Y316 HydrophobicContact CG-CD1 3.66Å; E221-Y316 HydrophobicContact CG-CD2 4.28Å; E221-Y316 HydrophobicContact CG-CE1 3.94Å; E221-Y316 HydrophobicContact CG-CG 3.83Å; L225-Y316 VanDerWaalsContact CD1-C 3.47Å; L225-Y316 WeakPolarHBondContact CD1-O 3.46Å; L277-Y316 HydrophobicContact CD1-CD2 3.81Å; L277-Y316 HydrophobicContact CD1-CE2 4.33Å; L277-Y316 HydrophobicContact CD1-CG 4.25Å; L277-Y316 HydrophobicContact CD2-CD2 4.04Å; L277-Y316 HydrophobicContact CG-CD2 3.62Å; L277-Y316 HydrophobicContact CG-CE2 4.11Å; L277-Y316 HydrophobicContact CG-CG 4.47Å; T278-Y316 HydrophobicContact CG2-CD2 4.33Å; T278-Y316 HydrophobicContact CG2-CE2 4.11Å; W280-Y316 WeakPolarHBondContact CZ2-OH 3.25Å; W280-Y316 PolarHBondContact NE1-OH 3.42Å; Y307-Y316 HydrophobicContact CD1-CD1 4.09Å; Y307-Y316 AromaticContact CD1-CE1 3.72Å; Y307-Y316 HydrophobicContact CD1-CE1 3.72Å; Y307-Y316 HydrophobicContact CE1-CD1 4.07Å; Y307-Y316 AromaticContact CE1-CE1 3.93Å; Y307-Y316 HydrophobicContact CE1-CE1 3.93Å; P313-Y316 HydrophobicContact CB-CE2 4.37Å; P314-Y316 HydrophobicContact CB-CD1 4.2Å; P314-Y316 HydrophobicContact CB-CE1 3.95Å; P314-Y316 HydrophobicContact CG-CE1 4.06Å; P314-Y316 PolarHBondContact O-N 3.29Å; P314-Y316 VanDerWaalsContact O-N 3.16Å
317G95.1Very high92.6Very high34 Ų3458.8 Ų58.835%0.35134%0.338SS..  trans118.9175.9-17800000113.9D315D315-G317 VanDerWaalsContact C-N 3.29Å; D315-G317 PolarHBondContact OD1-N 2.85Å
318T97Very high92.7Very high114 Ų11461.6 Ų61.670%0.69936%0.359SS*.PPolyproline II helixtrans-90.7127.6-176.5-57.70000111.7R226R226-T318 WeakPolarHBondContact CD-O 3.39Å
319P97.8Very high93Very high32 Ų3267.7 Ų67.721%0.20839%0.385CS..PPolyproline II helixtrans-72152.6178.127.9-34.3000113.3L225 L274 V324L225-P319 HydrophobicContact CD2-CB 3.76Å; L225-P319 HydrophobicContact CD2-CG 4.25Å; L225-P319 CarbonylContact O-C 3.5Å; L225-P319 VanDerWaalsContact O-CA 3.27Å; L225-P319 WeakPolarHBondContact O-CA 3.06Å; L274-P319 HydrophobicContact CD1-CB 3.79Å; L274-P319 HydrophobicContact CD1-CG 3.83Å; L274-P319 HydrophobicContact CD2-CB 4.19Å; P319-V324 HydrophobicContact CB-CG2 3.78Å; P319-V324 HydrophobicContact CG-CG2 3.37Å
320E97.9Very high93.8Very high20 Ų2063.2 Ų63.29%0.09336%0.361CS..PPolyproline II helixtrans-60.9138.1163-73.3169.9-167.900110.2L225 R226 P227 S228 E229 Q322 V323 V324L225-E320 PolarHBondContact O-N 3.36Å; R226-E320 WeakPolarHBondContact CA-OE1 3.38Å; P227-E320 WeakPolarHBondContact CD-OE2 3.11Å; P227-E320 WeakPolarHBondContact CG-OE2 3.34Å; S228-E320 VanDerWaalsContact CB-OE1 3.29Å; S228-E320 WeakPolarHBondContact CB-OE1 3.23Å; S228-E320 WeakPolarHBondContact CB-OE2 3.4Å; S228-E320 PolarHBondContact N-OE1 3.04Å; S228-E320 PolarHBondContact N-OE2 3.36Å; E229-E320 PolarHBondContact N-OE1 3.04Å; E320-Q322 PolarHBondContact O-N 3.17Å; 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 2.79Å; E320-V324 PolarHBondContact O-N 3.42Å; E320-V324 VanDerWaalsContact O-N 3.14Å
321N97.5Very high94.4Very high129 Ų12963 Ų6369%0.6936%0.359SS*.Hα-helixtrans-54.3-34.4-179.1-72.3-21.1000113V323 V324 N325N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 3.03Å; N321-V324 PolarHBondContact O-N 3Å; N321-N325 WeakPolarHBondContact O-CB 3.3Å; N321-N325 PolarHBondContact O-N 3.2Å; N321-N325 PolarHBondContact O-ND2 2.99Å
322Q95.5Very high94.9Very high138 Ų13866.9 Ų66.965%0.64537%0.37SS*.Hα-helixtrans-62.1-40.5177.2-68.7147.5-28.300111.7E320 M326E320-Q322 PolarHBondContact O-N 3.17Å; E320-Q322 VanDerWaalsContact O-N 3.09Å; Q322-M326 VanDerWaalsContact O-CB 3.26Å; Q322-M326 WeakPolarHBondContact O-CB 3.48Å; Q322-M326 PolarHBondContact O-N 3.4Å
323V97.5Very high95.2Very high7 Ų766.1 Ų66.14%0.04236%0.364CS..Hα-helixtrans-70.4-38.7177.1-175.60000110.9V224 P227 I272 L274 E320 N321 M326 T327V224-V323 WeakPolarHBondContact O-CG1 3.41Å; P227-V323 HydrophobicContact CG-CG2 3.59Å; I272-V323 HydrophobicContact CG2-CG1 4.48Å; L274-V323 HydrophobicContact CD2-CG1 3.69Å; L274-V323 HydrophobicContact CG-CG1 3.85Å; E320-V323 HydrophobicContact CB-CG2 4.21Å; E320-V323 WeakPolarHBondContact O-CB 3.41Å; E320-V323 PolarHBondContact O-N 2.79Å; N321-V323 VanDerWaalsContact C-N 3.33Å; N321-V323 PolarHBondContact O-N 3.03Å; V323-M326 PolarHBondContact O-N 3.29Å; V323-T327 VanDerWaalsContact O-CB 3.3Å; V323-T327 WeakPolarHBondContact O-CB 3.29Å; V323-T327 PolarHBondContact O-N 3.49Å; V323-T327 PolarHBondContact O-OG1 3.23Å
324V97.6Very high95.5Very high51 Ų5168.2 Ų68.231%0.30938%0.377SS..Hα-helixtrans-59.3-51.7174.5177.90000110.3L274 P319 E320 N321 M326 T327 S328L274-V324 HydrophobicContact CD1-CG2 4.45Å; P319-V324 HydrophobicContact CB-CG2 3.78Å; P319-V324 HydrophobicContact CG-CG2 3.37Å; E320-V324 PolarHBondContact O-N 3.42Å; E320-V324 VanDerWaalsContact O-N 3.14Å; N321-V324 PolarHBondContact O-N 3Å; V324-M326 PolarHBondContact O-N 3.05Å; V324-T327 PolarHBondContact O-N 3.26Å; V324-S328 PolarHBondContact O-N 3.42Å; V324-S328 PolarHBondContact O-OG 3.45Å; V324-S328 VanDerWaalsContact O-OG 3.11Å
325N96.8Very high95.6Very high95 Ų9574.9 Ų74.951%0.50841%0.408SS..Hα-helixtrans-60.1-46.8179.3-68.4-13.1000111.1N321 T327 S328 H329N321-N325 WeakPolarHBondContact O-CB 3.3Å; N321-N325 PolarHBondContact O-N 3.2Å; N321-N325 PolarHBondContact O-ND2 2.99Å; N325-T327 VanDerWaalsContact C-N 3.34Å; N325-T327 PolarHBondContact O-N 2.95Å; N325-S328 PolarHBondContact O-N 3.26Å; N325-H329 PolarHBondContact O-CD2 3.14Å; N325-H329 PolarHBondContact O-N 2.94Å
326M95.5Very high95.7Very high64 Ų6469 Ų6932%0.31538%0.376SS..Hα-helixtrans-59.8-44.3177.8-172.656.676.800112.1P271 Q322 V323 V324 S328 H329 L330P271-M326 HydrophobicContact CB-CE 4.1Å; P271-M326 HydrophobicContact CB-CG 3.46Å; P271-M326 VanDerWaalsContact CB-CG 3.46Å; P271-M326 HydrophobicContact CB-SD 3.74Å; P271-M326 HydrophobicContact CG-CE 4.07Å; P271-M326 HydrophobicContact CG-CG 3.94Å; P271-M326 HydrophobicContact CG-SD 3.54Å; P271-M326 VanDerWaalsContact CG-SD 3.54Å; Q322-M326 VanDerWaalsContact O-CB 3.26Å; Q322-M326 WeakPolarHBondContact O-CB 3.48Å; Q322-M326 PolarHBondContact O-N 3.4Å; V323-M326 PolarHBondContact O-N 3.29Å; V324-M326 PolarHBondContact O-N 3.05Å; M326-S328 PolarHBondContact O-N 2.85Å; M326-H329 PolarHBondContact O-N 3.45Å; M326-L330 HydrophobicContact CG-CD1 4.03Å; M326-L330 VanDerWaalsContact O-CG 3.31Å; M326-L330 WeakPolarHBondContact O-CG 3.39Å; M326-L330 PolarHBondContact O-N 2.75Å
327T96.9Very high95.5Very high10 Ų1074.7 Ų74.76%0.06140%0.397CS..Hα-helixtrans-63-43.3177.9-57.90000111.3H273 L274 V323 V324 N325 H329 L330 I331H273-T327 WeakPolarHBondContact CA-OG1 3.36Å; L274-T327 HydrophobicContact CB-CG2 4.06Å; L274-T327 PolarHBondContact N-OG1 3.28Å; V323-T327 VanDerWaalsContact O-CB 3.3Å; V323-T327 WeakPolarHBondContact O-CB 3.29Å; V323-T327 PolarHBondContact O-N 3.49Å; V323-T327 PolarHBondContact O-OG1 3.23Å; V324-T327 PolarHBondContact O-N 3.26Å; N325-T327 VanDerWaalsContact C-N 3.34Å; N325-T327 PolarHBondContact O-N 2.95Å; T327-H329 VanDerWaalsContact C-N 3.3Å; T327-H329 PolarHBondContact O-N 3.3Å; T327-L330 PolarHBondContact O-N 3.46Å; T327-I331 HydrophobicContact CG2-CD1 3.86Å; T327-I331 HydrophobicContact CG2-CG1 4.35Å; T327-I331 WeakPolarHBondContact O-CG1 3.29Å; T327-I331 PolarHBondContact O-N 3.5Å
328S96.2Very high95.3Very high65 Ų6584.1 Ų84.146%0.45542%0.422SS..Hα-helixtrans-60.9-37.6177.1-64.80000112.5V324 N325 M326 N332V324-S328 PolarHBondContact O-N 3.42Å; V324-S328 PolarHBondContact O-OG 3.45Å; V324-S328 VanDerWaalsContact O-OG 3.11Å; N325-S328 PolarHBondContact O-N 3.26Å; M326-S328 PolarHBondContact O-N 2.85Å; S328-N332 PolarHBondContact O-ND2 2.95Å
329H95.3Very high95Very high139 Ų13980.6 Ų80.664%0.64440%0.399SS*.Hα-helixtrans-67.4-46.1173.1-69.9-57.6000112N325 M326 T327 I331 N332N325-H329 PolarHBondContact O-CD2 3.14Å; N325-H329 PolarHBondContact O-N 2.94Å; M326-H329 PolarHBondContact O-N 3.45Å; T327-H329 VanDerWaalsContact C-N 3.3Å; T327-H329 PolarHBondContact O-N 3.3Å; H329-I331 PolarHBondContact O-N 2.7Å; H329-N332 PolarHBondContact O-N 2.8Å
330L95.8Very high94.7Very high15 Ų1582 Ų828%0.07940%0.402CS..Hα-helixtrans-64.7-35.5-177.2-72.6169.5000113.5P271 H273 M326 T327 N332 D333 F336P271-L330 HydrophobicContact CB-CD1 4.34Å; P271-L330 HydrophobicContact CG-CD1 4.28Å; P271-L330 HydrophobicContact CG-CD2 4.5Å; H273-L330 HydrophobicContact CB-CD1 3.72Å; M326-L330 HydrophobicContact CG-CD1 4.03Å; M326-L330 VanDerWaalsContact O-CG 3.31Å; M326-L330 WeakPolarHBondContact O-CG 3.39Å; M326-L330 PolarHBondContact O-N 2.75Å; T327-L330 PolarHBondContact O-N 3.46Å; L330-N332 PolarHBondContact O-N 2.92Å; L330-N332 VanDerWaalsContact O-N 3.13Å; L330-D333 WeakPolarHBondContact O-CB 3.3Å; L330-D333 PolarHBondContact O-N 2.92Å; L330-F336 HydrophobicContact CB-CD1 3.97Å; L330-F336 HydrophobicContact CB-CD2 3.91Å; L330-F336 HydrophobicContact CB-CE1 3.98Å; L330-F336 HydrophobicContact CB-CE2 3.92Å; L330-F336 HydrophobicContact CB-CG 3.92Å; L330-F336 HydrophobicContact CB-CZ 3.95Å; L330-F336 HydrophobicContact CD1-CD2 4.34Å; L330-F336 HydrophobicContact CD1-CE2 3.9Å; L330-F336 HydrophobicContact CD1-CZ 4.32Å; L330-F336 HydrophobicContact CD2-CD2 4.01Å; L330-F336 HydrophobicContact CD2-CE2 4.41Å; L330-F336 HydrophobicContact CD2-CG 4.48Å; L330-F336 HydrophobicContact CG-CD2 4.32Å; L330-F336 HydrophobicContact CG-CE2 4.31Å; L330-F336 WeakPolarHBondContact O-CB 3.47Å; L330-F336 WeakPolarHBondContact O-CD1 3.26Å; L330-F336 WeakPolarHBondContact O-CG 3.35Å
331I93.8Very high94.5Very high86 Ų8685.1 Ų85.144%0.44142%0.417SS..Hα-helixtrans-61-24.6179-71.9167.2000112T327 H329 F336 R337T327-I331 HydrophobicContact CG2-CD1 3.86Å; T327-I331 HydrophobicContact CG2-CG1 4.35Å; T327-I331 WeakPolarHBondContact O-CG1 3.29Å; T327-I331 PolarHBondContact O-N 3.5Å; H329-I331 PolarHBondContact O-N 2.7Å; I331-F336 HydrophobicContact CG1-CE1 4.4Å; I331-R337 WeakPolarHBondContact O-CD 3.35Å; I331-R337 VanDerWaalsContact O-CG 3.27Å; I331-R337 WeakPolarHBondContact O-CG 3.33Å
332N93.5Very high94.4Very high125 Ų12582.7 Ų82.767%0.66840%0.403SS*.THydrogen-bonded Turntrans-83.4-12.6176.5-65.6-52.7000113.5S328 H329 L330 P334S328-N332 PolarHBondContact O-ND2 2.95Å; H329-N332 PolarHBondContact O-N 2.8Å; L330-N332 PolarHBondContact O-N 2.92Å; L330-N332 VanDerWaalsContact O-N 3.13Å; N332-P334 WeakPolarHBondContact O-CD 3.48Å
333D94Very high94.3Very high55 Ų5579.7 Ų79.729%0.29439%0.389SS..  trans-77.9121.1178.2-177.8-18.4000111L330 Q335 F336 R337L330-D333 WeakPolarHBondContact O-CB 3.3Å; L330-D333 PolarHBondContact O-N 2.92Å; D333-Q335 VanDerWaalsContact C-N 3.3Å; D333-Q335 PolarHBondContact O-N 3.06Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.45Å; D333-Q335 PolarHBondContact OD1-N 3.46Å; D333-F336 HydrophobicContact CB-CB 3.85Å; D333-F336 PolarHBondContact O-N 3.3Å; D333-R337 PolarHBondContact O-N 3.16Å
334P94.1Very high94.1Very high90 Ų9083.9 Ų83.958%0.58441%0.41SS*.Hα-helixtrans-58.6-35.1176.4-23.234000114.6N332 R338N332-P334 WeakPolarHBondContact O-CD 3.48Å; P334-R338 PolarHBondContact O-N 3.13Å
335Q91.3Very high93.9Very high144 Ų14486 Ų8667%0.67342%0.416SS*.Hα-helixtrans-68.6-42.2178.7-62.5-170.9-0.200110.6D333 R338D333-Q335 VanDerWaalsContact C-N 3.3Å; D333-Q335 PolarHBondContact O-N 3.06Å; D333-Q335 WeakPolarHBondContact OD1-CB 3.45Å; D333-Q335 PolarHBondContact OD1-N 3.46Å; Q335-R338 WeakPolarHBondContact O-CB 3.27Å; Q335-R338 PolarHBondContact O-N 3.46Å
336F94.3Very high93.7Very high4 Ų485.4 Ų85.42%0.01841%0.41CS..Hα-helixtrans-61.4-48.3176.2-175.3-96.5000111.8H270 H273 A275 L330 I331 D333 R338 I339 F340H270-F336 HydrophobicContact CB-CD2 4.21Å; H270-F336 HydrophobicContact CB-CE2 4.19Å; H270-F336 AromaticContact CD2-CD2 3.88Å; H270-F336 AromaticContact CE1-CD2 3.95Å; H270-F336 AromaticContact CG-CD2 3.69Å; H270-F336 AromaticContact ND1-CD2 3.75Å; H273-F336 HydrophobicContact CB-CZ 4.39Å; H273-F336 AromaticContact CD2-CE2 3.54Å; H273-F336 AromaticContact CD2-CZ 3.87Å; H273-F336 AromaticContact CE1-CZ 3.83Å; H273-F336 AromaticContact CG-CE2 3.89Å; H273-F336 AromaticContact CG-CZ 3.75Å; H273-F336 AromaticContact ND1-CZ 3.73Å; H273-F336 AromaticContact NE2-CE2 3.67Å; H273-F336 AromaticContact NE2-CZ 3.94Å; A275-F336 HydrophobicContact CB-CE1 3.81Å; A275-F336 HydrophobicContact CB-CZ 3.69Å; L330-F336 HydrophobicContact CB-CD1 3.97Å; L330-F336 HydrophobicContact CB-CD2 3.91Å; L330-F336 HydrophobicContact CB-CE1 3.98Å; L330-F336 HydrophobicContact CB-CE2 3.92Å; L330-F336 HydrophobicContact CB-CG 3.92Å; L330-F336 HydrophobicContact CB-CZ 3.95Å; L330-F336 HydrophobicContact CD1-CD2 4.34Å; L330-F336 HydrophobicContact CD1-CE2 3.9Å; L330-F336 HydrophobicContact CD1-CZ 4.32Å; L330-F336 HydrophobicContact CD2-CD2 4.01Å; L330-F336 HydrophobicContact CD2-CE2 4.41Å; L330-F336 HydrophobicContact CD2-CG 4.48Å; L330-F336 HydrophobicContact CG-CD2 4.32Å; L330-F336 HydrophobicContact CG-CE2 4.31Å; L330-F336 WeakPolarHBondContact O-CB 3.47Å; L330-F336 WeakPolarHBondContact O-CD1 3.26Å; L330-F336 WeakPolarHBondContact O-CG 3.35Å; I331-F336 HydrophobicContact CG1-CE1 4.4Å; D333-F336 HydrophobicContact CB-CB 3.85Å; D333-F336 PolarHBondContact O-N 3.3Å; F336-R338 PolarHBondContact O-N 3.11Å; F336-I339 PolarHBondContact O-N 2.92Å; F336-F340 HydrophobicContact CD1-CD2 4.19Å; F336-F340 AromaticContact CD2-CD2 3.71Å; F336-F340 HydrophobicContact CD2-CD2 3.71Å; F336-F340 AromaticContact CD2-CE2 3.83Å; F336-F340 HydrophobicContact CD2-CE2 3.83Å; F336-F340 HydrophobicContact CE1-CB 4.32Å; F336-F340 AromaticContact CE1-CD2 3.9Å; F336-F340 HydrophobicContact CE1-CD2 3.9Å; F336-F340 HydrophobicContact CE1-CG 4.35Å; F336-F340 AromaticContact CE2-CD2 3.39Å; F336-F340 HydrophobicContact CE2-CD2 3.39Å; F336-F340 AromaticContact CE2-CE2 3.39Å; F336-F340 HydrophobicContact CE2-CE2 3.39Å; F336-F340 HydrophobicContact CE2-CG 4.39Å; F336-F340 HydrophobicContact CE2-CZ 4.41Å; F336-F340 HydrophobicContact CG-CD2 4.11Å; F336-F340 AromaticContact CZ-CD2 3.49Å; F336-F340 HydrophobicContact CZ-CD2 3.49Å; F336-F340 VanDerWaalsContact CZ-CD2 3.49Å; F336-F340 AromaticContact CZ-CE2 3.89Å; F336-F340 HydrophobicContact CZ-CE2 3.89Å; F336-F340 HydrophobicContact CZ-CG 4.1Å; F336-F340 PolarHBondContact O-N 2.81Å; F336-F340 VanDerWaalsContact O-N 3.15Å
337R92.4Very high93.6Very high151 Ų15186.9 Ų86.957%0.5742%0.417SS*.Hα-helixtrans-61.9-25.2177.9-72.8-169.8-69.3160-1.9114.1I331 D333 I339I331-R337 WeakPolarHBondContact O-CD 3.35Å; I331-R337 VanDerWaalsContact O-CG 3.27Å; I331-R337 WeakPolarHBondContact O-CG 3.33Å; D333-R337 PolarHBondContact O-N 3.16Å; R337-I339 PolarHBondContact O-N 3.09Å
338R91.1Very high93.3Very high232 Ų23292.8 Ų92.888%0.87544%0.444SS*.Hα-helixtrans-69.2-27.3174.3-173.2177.7177.5177.90.9112P334 Q335 F336P334-R338 PolarHBondContact O-N 3.13Å; Q335-R338 WeakPolarHBondContact O-CB 3.27Å; Q335-R338 PolarHBondContact O-N 3.46Å; F336-R338 PolarHBondContact O-N 3.11Å
339I90.1Very high93.1Very high40 Ų4095.2 Ų95.221%0.20544%0.443CS..Hα-helixtrans-93.1-35.4-174.5-66.2157.4000111.8R178 S266 Q267 H270 F336 R337R178-I339 PolarHBondContact NH2-O 2.78Å; S266-I339 WeakPolarHBondContact O-CD1 3.32Å; Q267-I339 HydrophobicContact CG-CG2 3.88Å; H270-I339 WeakPolarHBondContact NE2-CD1 3.34Å; F336-I339 PolarHBondContact O-N 2.92Å; R337-I339 PolarHBondContact O-N 3.09Å
340F90.8Very high92.9Very high61 Ų6191.2 Ų91.227%0.26843%0.425SS..  trans-1100-173-67.3-74.4000112.7K177 Q267 H273 A275 S276 F336K177-F340 PolarHBondContact NZ-O 2.9Å; Q267-F340 HydrophobicContact CB-CE1 4.43Å; Q267-F340 HydrophobicContact CB-CZ 3.82Å; Q267-F340 HydrophobicContact CG-CE1 4.16Å; Q267-F340 HydrophobicContact CG-CZ 3.87Å; H273-F340 AromaticContact CE1-CD1 3.93Å; H273-F340 AromaticContact CE1-CE1 3.46Å; H273-F340 VanDerWaalsContact CE1-CE1 3.46Å; H273-F340 WeakPolarHBondContact CE1-CE1 3.17Å; H273-F340 AromaticContact CE1-CE2 3.79Å; H273-F340 AromaticContact CE1-CZ 3.36Å; H273-F340 WeakPolarHBondContact CE1-CZ 3.49Å; H273-F340 AromaticContact NE2-CE1 3.67Å; H273-F340 AromaticContact NE2-CE2 3.42Å; H273-F340 WeakPolarHBondContact NE2-CE2 3.15Å; H273-F340 AromaticContact NE2-CZ 3.07Å; H273-F340 WeakPolarHBondContact NE2-CZ 3.47Å; A275-F340 HydrophobicContact CB-CB 4.16Å; A275-F340 HydrophobicContact CB-CD1 4.46Å; A275-F340 HydrophobicContact CB-CG 4.25Å; S276-F340 VanDerWaalsContact OG-CD1 3.26Å; S276-F340 WeakPolarHBondContact OG-CD1 3.42Å; S276-F340 WeakPolarHBondContact OG-CE1 3.33Å; F336-F340 HydrophobicContact CD1-CD2 4.19Å; F336-F340 AromaticContact CD2-CD2 3.71Å; F336-F340 HydrophobicContact CD2-CD2 3.71Å; F336-F340 AromaticContact CD2-CE2 3.83Å; F336-F340 HydrophobicContact CD2-CE2 3.83Å; F336-F340 HydrophobicContact CE1-CB 4.32Å; F336-F340 AromaticContact CE1-CD2 3.9Å; F336-F340 HydrophobicContact CE1-CD2 3.9Å; F336-F340 HydrophobicContact CE1-CG 4.35Å; F336-F340 AromaticContact CE2-CD2 3.39Å; F336-F340 HydrophobicContact CE2-CD2 3.39Å; F336-F340 AromaticContact CE2-CE2 3.39Å; F336-F340 HydrophobicContact CE2-CE2 3.39Å; F336-F340 HydrophobicContact CE2-CG 4.39Å; F336-F340 HydrophobicContact CE2-CZ 4.41Å; F336-F340 HydrophobicContact CG-CD2 4.11Å; F336-F340 AromaticContact CZ-CD2 3.49Å; F336-F340 HydrophobicContact CZ-CD2 3.49Å; F336-F340 VanDerWaalsContact CZ-CD2 3.49Å; F336-F340 AromaticContact CZ-CE2 3.89Å; F336-F340 HydrophobicContact CZ-CE2 3.89Å; F336-F340 HydrophobicContact CZ-CG 4.1Å; F336-F340 PolarHBondContact O-N 2.81Å; F336-F340 VanDerWaalsContact O-N 3.15Å

Retrieved 340 of 340 residues in 390.9 ms (Link to these results)

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