A0A5K4F6M3_SCHMA Loading...

PseudoU_synth_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6M3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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
1M47Very low74.3Confident180 Ų18094.7 Ų94.789%0.88754%0.541SS*.  0129.20-79.2168.5166.900108I6M1-I6 HydrophobicContact CB-CD1 4.5Å; M1-I6 HydrophobicContact CB-CG1 4.33Å
2T67.4Low75.8Confident90 Ų9089.5 Ų89.555%0.55251%0.512SS*.  trans-72.1149.5174.347.40000109.9S4 N5 I6T2-S4 PolarHBondContact O-N 2.92Å; T2-S4 VanDerWaalsContact O-N 3.11Å; T2-N5 PolarHBondContact O-N 2.94Å; T2-I6 PolarHBondContact O-N 3.35Å
3I63.2Low77.2Confident140 Ų14091.6 Ų91.672%0.71851%0.512SS*.Hα-helixtrans-51.3-37.5178.9-65.3170.6000111.3N5 I6 V7I3-N5 VanDerWaalsContact C-N 3.31Å; I3-N5 PolarHBondContact O-N 2.66Å; I3-I6 PolarHBondContact O-N 2.89Å; I3-V7 HydrophobicContact CG2-CG2 4.31Å; I3-V7 WeakPolarHBondContact O-CG2 3.33Å; I3-V7 PolarHBondContact O-N 3.11Å
4S70.6Confident78.5Confident87 Ų8792.6 Ų92.661%0.60852%0.516SS*.Hα-helixtrans-59.4-35.2176.4-174.60000114.2T2 S8T2-S4 PolarHBondContact O-N 2.92Å; T2-S4 VanDerWaalsContact O-N 3.11Å; S4-S8 PolarHBondContact O-N 3.04Å; S4-S8 VanDerWaalsContact O-N 3.14Å; S4-S8 PolarHBondContact O-OG 2.83Å
5N73.9Confident79.6Confident81 Ų8190.4 Ų90.443%0.43350%0.502SS..Hα-helixtrans-74.8-34.4178.5-73.3-1.1000111.2T2 I3 S8 E9T2-N5 PolarHBondContact O-N 2.94Å; I3-N5 VanDerWaalsContact C-N 3.31Å; I3-N5 PolarHBondContact O-N 2.66Å; N5-S8 WeakPolarHBondContact CA-OG 3.16Å; N5-S8 PolarHBondContact O-N 2.87Å; N5-S8 PolarHBondContact O-OG 2.79Å; N5-E9 WeakPolarHBondContact O-CB 3.4Å; N5-E9 WeakPolarHBondContact O-CG 3.25Å; N5-E9 PolarHBondContact O-N 2.92Å
6I71.4Confident80.6Confident84 Ų8489.6 Ų89.643%0.43149%0.489SS..Hα-helixtrans-67.3-45.8176.4-61.9171.9000109.7M1 T2 I3 S8 E9 V10M1-I6 HydrophobicContact CB-CD1 4.5Å; M1-I6 HydrophobicContact CB-CG1 4.33Å; T2-I6 PolarHBondContact O-N 3.35Å; I3-I6 PolarHBondContact O-N 2.89Å; I6-S8 VanDerWaalsContact C-N 3.29Å; I6-S8 PolarHBondContact O-N 2.8Å; I6-E9 PolarHBondContact O-N 3.43Å; I6-V10 HydrophobicContact CG2-CG2 4.34Å; I6-V10 WeakPolarHBondContact O-CB 3.23Å; I6-V10 VanDerWaalsContact O-CG2 3.27Å; I6-V10 WeakPolarHBondContact O-CG2 3.12Å; I6-V10 PolarHBondContact O-N 3.5Å
7V72.6Confident81.5Confident97 Ų9788.8 Ų88.859%0.58848%0.483SS*.Hα-helixtrans-60.7-39.7177.3175.40000111.2I3 G11I3-V7 HydrophobicContact CG2-CG2 4.31Å; I3-V7 WeakPolarHBondContact O-CG2 3.33Å; I3-V7 PolarHBondContact O-N 3.11Å; V7-G11 PolarHBondContact O-N 3.48Å
8S81.8Confident82.3Confident62 Ų6289.5 Ų89.543%0.43448%0.478SS..Hα-helixtrans-69.8-40.8177.669.40000112.5S4 N5 I6 G11 V12S4-S8 PolarHBondContact O-N 3.04Å; S4-S8 VanDerWaalsContact O-N 3.14Å; S4-S8 PolarHBondContact O-OG 2.83Å; N5-S8 WeakPolarHBondContact CA-OG 3.16Å; N5-S8 PolarHBondContact O-N 2.87Å; N5-S8 PolarHBondContact O-OG 2.79Å; I6-S8 VanDerWaalsContact C-N 3.29Å; I6-S8 PolarHBondContact O-N 2.8Å; S8-G11 PolarHBondContact O-N 3.14Å; S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.5Å; S8-V12 PolarHBondContact O-N 3.27Å
9E86.3Confident83Confident114 Ų11484.8 Ų84.853%0.53345%0.453SS..Hα-helixtrans-63.7-43.5175.5-76.9-174.1178.600112.3N5 I6 G11 V12 F13N5-E9 WeakPolarHBondContact O-CB 3.4Å; N5-E9 WeakPolarHBondContact O-CG 3.25Å; N5-E9 PolarHBondContact O-N 2.92Å; I6-E9 PolarHBondContact O-N 3.43Å; E9-G11 VanDerWaalsContact C-N 3.35Å; E9-V12 PolarHBondContact O-N 2.85Å; E9-F13 WeakPolarHBondContact O-CB 3.39Å; E9-F13 PolarHBondContact O-N 3.02Å
10V91.1Very high83.7Confident78 Ų7883.4 Ų83.447%0.47345%0.445SS..Hα-helixtrans-62.1-43.6174.4173.30000110.5I6 V12 F13 L14I6-V10 HydrophobicContact CG2-CG2 4.34Å; I6-V10 WeakPolarHBondContact O-CB 3.23Å; I6-V10 VanDerWaalsContact O-CG2 3.27Å; I6-V10 WeakPolarHBondContact O-CG2 3.12Å; I6-V10 PolarHBondContact O-N 3.5Å; V10-V12 PolarHBondContact O-N 2.97Å; V10-F13 WeakPolarHBondContact O-CB 3.22Å; V10-F13 PolarHBondContact O-N 2.81Å; V10-L14 HydrophobicContact CG1-CD1 4.3Å; V10-L14 WeakPolarHBondContact O-CG 3.34Å; V10-L14 PolarHBondContact O-N 2.99Å
11G91.6Very high84.3Confident29 Ų2983 Ų8330%0.29945%0.445SS..Hα-helixtrans-59.8-45.7176.100000112.7V7 S8 E9 F13 L14 L15V7-G11 PolarHBondContact O-N 3.48Å; S8-G11 PolarHBondContact O-N 3.14Å; E9-G11 VanDerWaalsContact C-N 3.35Å; G11-F13 VanDerWaalsContact C-N 3.32Å; G11-F13 PolarHBondContact O-N 3.18Å; G11-L14 PolarHBondContact O-N 2.65Å; G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.07Å
12V92.7Very high86.6Confident32 Ų3275.6 Ų75.619%0.19441%0.411CS..Hα-helixtrans-62.7-40.4175.7171.20000111.2S8 E9 V10 L15 R16 P86 W91S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.5Å; S8-V12 PolarHBondContact O-N 3.27Å; E9-V12 PolarHBondContact O-N 2.85Å; V10-V12 PolarHBondContact O-N 2.97Å; V12-L15 PolarHBondContact O-N 2.92Å; V12-R16 WeakPolarHBondContact O-CG 3.39Å; V12-R16 PolarHBondContact O-N 2.99Å; V12-P86 HydrophobicContact CG1-CB 3.59Å; V12-P86 HydrophobicContact CG1-CG 4.31Å; V12-W91 HydrophobicContact CG2-CZ2 4.1Å
13F93.8Very high88Confident117 Ų11771.3 Ų71.351%0.51338%0.384SS..Hα-helixtrans-61.1-46.8176.2178.2-101.8000112.1E9 V10 G11 L15 R16 I17E9-F13 WeakPolarHBondContact O-CB 3.39Å; E9-F13 PolarHBondContact O-N 3.02Å; V10-F13 WeakPolarHBondContact O-CB 3.22Å; V10-F13 PolarHBondContact O-N 2.81Å; G11-F13 VanDerWaalsContact C-N 3.32Å; G11-F13 PolarHBondContact O-N 3.18Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.32Å; F13-R16 WeakPolarHBondContact O-CB 3.23Å; F13-R16 PolarHBondContact O-N 3.31Å; F13-R16 VanDerWaalsContact O-N 3.15Å; F13-I17 HydrophobicContact CD1-CD1 3.98Å; F13-I17 HydrophobicContact CE1-CD1 3.43Å; F13-I17 VanDerWaalsContact CE1-CD1 3.43Å; F13-I17 HydrophobicContact CE1-CG1 4.41Å; F13-I17 HydrophobicContact CZ-CD1 3.78Å; F13-I17 HydrophobicContact CZ-CG1 4.45Å; F13-I17 PolarHBondContact O-N 3.26Å; F13-I17 VanDerWaalsContact O-N 3.11Å
14L95.1Very high89.6Confident106 Ų10666.8 Ų66.856%0.55536%0.362SS*.Hα-helixtrans-61.3-41.7175.4-68.1175.2000112V10 G11 R16 I17 Y18V10-L14 HydrophobicContact CG1-CD1 4.3Å; V10-L14 WeakPolarHBondContact O-CG 3.34Å; V10-L14 PolarHBondContact O-N 2.99Å; G11-L14 PolarHBondContact O-N 2.65Å; L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 2.88Å; L14-I17 PolarHBondContact O-N 3.41Å; L14-Y18 PolarHBondContact O-N 3.08Å
15L95.1Very high90.8Very high59 Ų5967.6 Ų67.631%0.30936%0.358SS..Hα-helixtrans-62.4-36.1175-72.3173.9000112.3G11 V12 F13 Y18 V19 W71 F82 W91G11-L15 WeakPolarHBondContact O-CG 3.38Å; G11-L15 PolarHBondContact O-N 3.07Å; V12-L15 PolarHBondContact O-N 2.92Å; F13-L15 VanDerWaalsContact C-N 3.34Å; F13-L15 PolarHBondContact O-N 3.32Å; L15-Y18 PolarHBondContact O-N 3.02Å; L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.29Å; L15-W71 HydrophobicContact CB-CZ3 4.48Å; L15-W71 HydrophobicContact CD1-CH2 4.22Å; L15-W71 HydrophobicContact CD2-CH2 4.41Å; L15-W71 HydrophobicContact CD2-CZ3 4.01Å; L15-F82 HydrophobicContact CB-CE1 4.06Å; L15-F82 HydrophobicContact CB-CZ 3.7Å; L15-F82 HydrophobicContact CD1-CZ 4.3Å; L15-W91 HydrophobicContact CD1-CH2 3.82Å
16R95.3Very high91.7Very high77 Ų7765.3 Ų65.329%0.29135%0.345SS..Hα-helixtrans-64.8-42.6174.8-71.5173.672.5-145.9-3.9111.7V12 F13 L14 Y18 V19 L20 F82 Y83V12-R16 WeakPolarHBondContact O-CG 3.39Å; V12-R16 PolarHBondContact O-N 2.99Å; F13-R16 WeakPolarHBondContact O-CB 3.23Å; F13-R16 PolarHBondContact O-N 3.31Å; F13-R16 VanDerWaalsContact O-N 3.15Å; L14-R16 VanDerWaalsContact C-N 3.3Å; L14-R16 PolarHBondContact O-N 2.88Å; R16-Y18 VanDerWaalsContact C-N 3.35Å; R16-V19 PolarHBondContact O-N 3.48Å; R16-L20 WeakPolarHBondContact O-CB 3.13Å; R16-L20 PolarHBondContact O-N 2.89Å; R16-F82 HydrophobicContact CG-CE1 4.19Å; R16-Y83 HydrophobicContact CB-CD2 3.96Å; R16-Y83 HydrophobicContact CB-CE2 4.05Å; R16-Y83 HydrophobicContact CG-CD2 4.33Å; R16-Y83 PolarHBondContact NE-O 3.42Å; R16-Y83 PolarHBondContact NH2-O 2.93Å; R16-Y83 WeakPolarHBondContact O-CD2 3.34Å; R16-Y83 WeakPolarHBondContact O-CE2 3.45Å
17I96Very high92.8Very high77 Ų7761.3 Ų61.340%0.39533%0.325SS..Hα-helixtrans-60.7-47174.6-65.6172.1000110.1F13 L14 V19 L20 V21F13-I17 HydrophobicContact CD1-CD1 3.98Å; F13-I17 HydrophobicContact CE1-CD1 3.43Å; F13-I17 VanDerWaalsContact CE1-CD1 3.43Å; F13-I17 HydrophobicContact CE1-CG1 4.41Å; F13-I17 HydrophobicContact CZ-CD1 3.78Å; F13-I17 HydrophobicContact CZ-CG1 4.45Å; F13-I17 PolarHBondContact O-N 3.26Å; F13-I17 VanDerWaalsContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.41Å; I17-V19 PolarHBondContact O-N 2.76Å; I17-L20 WeakPolarHBondContact O-CB 3.38Å; I17-L20 PolarHBondContact O-N 3.31Å; I17-V21 HydrophobicContact CG2-CG2 4.5Å; I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.16Å
18Y96.2Very high93.9Very high101 Ų10160.8 Ų60.840%0.39632%0.318SS..Hα-helixtrans-55.9-51.3176.6170.7-94.6000111.9L14 L15 R16 L20 V21 V22 W71L14-Y18 PolarHBondContact O-N 3.08Å; L15-Y18 PolarHBondContact O-N 3.02Å; R16-Y18 VanDerWaalsContact C-N 3.35Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; Y18-L20 PolarHBondContact O-N 3.3Å; Y18-V21 PolarHBondContact O-N 3.44Å; Y18-V22 HydrophobicContact CD1-CG2 4.43Å; Y18-V22 HydrophobicContact CD2-CG2 4.09Å; Y18-V22 HydrophobicContact CE1-CG2 4Å; Y18-V22 HydrophobicContact CE2-CG2 3.64Å; Y18-V22 HydrophobicContact CG-CG2 4.47Å; Y18-V22 WeakPolarHBondContact O-CG2 3.15Å; Y18-V22 PolarHBondContact O-N 3.17Å; Y18-W71 HydrophobicContact CE1-CE3 4.46Å; Y18-W71 WeakPolarHBondContact CE1-O 3.4Å; Y18-W71 PolarHBondContact OH-O 3.42Å
19V95.6Very high94.5Very high0 Ų063.4 Ų63.40%032%0.319CS..Hα-helixtrans-61.3-40.9179.91740000110.9L15 R16 I17 V21 W23 I42 W71 C74 M79 F82L15-V19 VanDerWaalsContact O-CG2 3.3Å; L15-V19 WeakPolarHBondContact O-CG2 3.44Å; L15-V19 PolarHBondContact O-N 3.29Å; R16-V19 PolarHBondContact O-N 3.48Å; I17-V19 PolarHBondContact O-N 2.76Å; V19-V21 PolarHBondContact O-N 3.22Å; V19-W23 WeakPolarHBondContact O-CB 3.35Å; V19-W23 PolarHBondContact O-N 2.79Å; V19-I42 HydrophobicContact CG1-CD1 3.6Å; V19-W71 HydrophobicContact CG2-CE3 4.33Å; V19-W71 HydrophobicContact CG2-CZ3 4.05Å; V19-C74 HydrophobicContact CG1-CB 4.35Å; V19-M79 HydrophobicContact CG1-CB 4.24Å; V19-M79 HydrophobicContact CG2-SD 4.07Å; V19-F82 HydrophobicContact CG2-CD1 4.05Å; V19-F82 HydrophobicContact CG2-CE1 3.99Å
20L96.5Very high94.8Very high56 Ų5660.1 Ų60.129%0.29330%0.304SS..Hα-helixtrans-58.6-48.1175.7177.966.7000111.6R16 I17 Y18 N24 I42 Y83R16-L20 WeakPolarHBondContact O-CB 3.13Å; R16-L20 PolarHBondContact O-N 2.89Å; I17-L20 WeakPolarHBondContact O-CB 3.38Å; I17-L20 PolarHBondContact O-N 3.31Å; Y18-L20 VanDerWaalsContact C-N 3.31Å; Y18-L20 PolarHBondContact O-N 3.3Å; L20-N24 WeakPolarHBondContact CD1-ND2 3.44Å; L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 PolarHBondContact O-N 2.77Å; L20-N24 VanDerWaalsContact O-N 3.15Å; L20-N24 PolarHBondContact O-ND2 2.77Å; L20-I42 HydrophobicContact CD1-CG2 3.53Å; L20-Y83 HydrophobicContact CB-CE2 3.84Å; L20-Y83 HydrophobicContact CD1-CE2 4.46Å
21V96.7Very high94.9Very high75 Ų7559.1 Ų59.146%0.45530%0.296SS..Hα-helixtrans-64-51.9-179.7172.60000110.7I17 Y18 V19 W23 N24 I25I17-V21 HydrophobicContact CG2-CG2 4.5Å; I17-V21 WeakPolarHBondContact O-CG2 3.5Å; I17-V21 PolarHBondContact O-N 3.16Å; Y18-V21 PolarHBondContact O-N 3.44Å; V19-V21 PolarHBondContact O-N 3.22Å; V21-W23 PolarHBondContact O-N 3.42Å; V21-N24 PolarHBondContact O-N 3.07Å; V21-I25 HydrophobicContact CG1-CD1 3.72Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 WeakPolarHBondContact O-CG1 3.41Å; V21-I25 PolarHBondContact O-N 2.9Å
22V96Very high95Very high26 Ų2664 Ų6416%0.15831%0.314CS..Hα-helixtrans-63.2-41.5-178.3174.70000111.8Y18 N24 I25 I26 C74Y18-V22 HydrophobicContact CD1-CG2 4.43Å; Y18-V22 HydrophobicContact CD2-CG2 4.09Å; Y18-V22 HydrophobicContact CE1-CG2 4Å; Y18-V22 HydrophobicContact CE2-CG2 3.64Å; Y18-V22 HydrophobicContact CG-CG2 4.47Å; Y18-V22 WeakPolarHBondContact O-CG2 3.15Å; Y18-V22 PolarHBondContact O-N 3.17Å; V22-N24 PolarHBondContact O-N 3.46Å; V22-I25 PolarHBondContact O-N 3.42Å; V22-I26 HydrophobicContact CG1-CD1 3.81Å; V22-I26 HydrophobicContact CG1-CG1 4.35Å; V22-I26 VanDerWaalsContact O-CG1 3.28Å; V22-I26 WeakPolarHBondContact O-CG1 3.4Å; V22-I26 PolarHBondContact O-N 2.95Å; V22-C74 HydrophobicContact CB-CB 4.45Å; V22-C74 HydrophobicContact CG1-CB 3.99Å
23W96.5Very high95Very high0 Ų069.9 Ų69.90%033%0.333CS..Hα-helixtrans-55.4-50.5174.9179.3-75.1000111.7V19 V21 I26 I27 I40 I42 L63 C74 L75 Q80V19-W23 WeakPolarHBondContact O-CB 3.35Å; V19-W23 PolarHBondContact O-N 2.79Å; V21-W23 PolarHBondContact O-N 3.42Å; W23-I26 PolarHBondContact O-N 2.92Å; W23-I27 VanDerWaalsContact CD1-CD1 3.49Å; W23-I27 HydrophobicContact CG-CD1 4.48Å; W23-I27 WeakPolarHBondContact O-CG1 3.49Å; W23-I27 PolarHBondContact O-N 3.36Å; W23-I40 HydrophobicContact CZ2-CB 4.4Å; W23-I40 HydrophobicContact CZ2-CG2 3.84Å; W23-I40 PolarHBondContact NE1-O 2.77Å; W23-I42 HydrophobicContact CB-CD1 4.18Å; W23-I42 HydrophobicContact CD2-CB 3.93Å; W23-I42 HydrophobicContact CD2-CD1 3.89Å; W23-I42 HydrophobicContact CD2-CG1 3.91Å; W23-I42 HydrophobicContact CE3-CB 4.47Å; W23-I42 HydrophobicContact CE3-CD1 3.79Å; W23-I42 HydrophobicContact CE3-CG1 3.95Å; W23-I42 HydrophobicContact CG-CB 4.08Å; W23-I42 HydrophobicContact CG-CD1 4.07Å; W23-I42 HydrophobicContact CG-CG1 4.36Å; W23-I42 HydrophobicContact CZ2-CB 4.35Å; W23-I42 HydrophobicContact CZ2-CG1 4.47Å; W23-I42 HydrophobicContact CZ3-CD1 4.46Å; W23-I42 HydrophobicContact CZ3-CG1 4.25Å; W23-L63 HydrophobicContact CH2-CD1 4.17Å; W23-L63 HydrophobicContact CH2-CD2 3.63Å; W23-L63 HydrophobicContact CZ2-CD2 4.12Å; W23-L63 HydrophobicContact CZ3-CD2 4.48Å; W23-C74 VanDerWaalsContact CZ3-O 3.29Å; W23-C74 WeakPolarHBondContact CZ3-O 2.95Å; W23-L75 HydrophobicContact CD2-CD1 3.95Å; W23-L75 HydrophobicContact CE3-CD1 4.22Å; W23-L75 HydrophobicContact CH2-CD1 3.9Å; W23-L75 HydrophobicContact CZ2-CD1 3.61Å; W23-L75 HydrophobicContact CZ3-CD1 4.2Å; W23-Q80 HydrophobicContact CH2-CB 3.95Å; W23-Q80 HydrophobicContact CH2-CG 4.12Å; W23-Q80 HydrophobicContact CZ3-CB 4.04Å
24N96.2Very high94.6Very high45 Ų4573.3 Ų73.324%0.24135%0.348CS..Hα-helixtrans-67.8-35.9-179.1-71.5-47.6000112.2L20 V21 V22 I27 L28 W39L20-N24 WeakPolarHBondContact CD1-ND2 3.44Å; L20-N24 WeakPolarHBondContact O-CB 3.38Å; L20-N24 PolarHBondContact O-N 2.77Å; L20-N24 VanDerWaalsContact O-N 3.15Å; L20-N24 PolarHBondContact O-ND2 2.77Å; V21-N24 PolarHBondContact O-N 3.07Å; V22-N24 PolarHBondContact O-N 3.46Å; N24-I27 PolarHBondContact O-N 3.34Å; N24-L28 VanDerWaalsContact O-CB 3.29Å; N24-L28 WeakPolarHBondContact O-CB 3.32Å; N24-L28 PolarHBondContact O-N 2.81Å; N24-W39 HydrophobicContact CB-CH2 4.35Å; N24-W39 HydrophobicContact CB-CZ2 3.78Å; N24-W39 WeakPolarHBondContact OD1-CZ2 3.17Å; N24-W39 PolarHBondContact OD1-NE1 3.25Å
25I95.8Very high94Very high103 Ų10377.5 Ų77.553%0.52836%0.356SS..Hα-helixtrans-62.4-45.6173.1-69.6169.3000111.1V21 V22 I27 L28 Y29V21-I25 HydrophobicContact CG1-CD1 3.72Å; V21-I25 HydrophobicContact CG1-CG1 4.45Å; V21-I25 WeakPolarHBondContact O-CG1 3.41Å; V21-I25 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 3.42Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 2.9Å; I25-L28 PolarHBondContact O-N 2.93Å; I25-Y29 WeakPolarHBondContact O-CB 3.49Å; I25-Y29 PolarHBondContact O-N 3.35Å
26I94.2Very high93.6Very high33 Ų3375.3 Ų75.317%0.16934%0.344CS..Hα-helixtrans-61.8-44.2178.6-68.2166.8000110.6V22 W23 Y29 Q30 C74 L75V22-I26 HydrophobicContact CG1-CD1 3.81Å; V22-I26 HydrophobicContact CG1-CG1 4.35Å; V22-I26 VanDerWaalsContact O-CG1 3.28Å; V22-I26 WeakPolarHBondContact O-CG1 3.4Å; V22-I26 PolarHBondContact O-N 2.95Å; W23-I26 PolarHBondContact O-N 2.92Å; I26-Y29 PolarHBondContact O-N 3.3Å; I26-Q30 WeakPolarHBondContact O-CG 3.44Å; I26-Q30 PolarHBondContact O-N 3.07Å; I26-C74 HydrophobicContact CD1-CB 4.42Å; I26-L75 HydrophobicContact CG2-CB 4.08Å; I26-L75 HydrophobicContact CG2-CD2 4.07Å
27I94.1Very high92.9Very high0 Ų078.3 Ų78.30%037%0.366CS..Hα-helixtrans-63.6-48.7178.3-71.8-179.1000110.8W23 N24 I25 Y29 Q30 I31 W39 I40 L75W23-I27 VanDerWaalsContact CD1-CD1 3.49Å; W23-I27 HydrophobicContact CG-CD1 4.48Å; W23-I27 WeakPolarHBondContact O-CG1 3.49Å; W23-I27 PolarHBondContact O-N 3.36Å; N24-I27 PolarHBondContact O-N 3.34Å; I25-I27 VanDerWaalsContact C-N 3.34Å; I25-I27 PolarHBondContact O-N 2.9Å; I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 PolarHBondContact O-N 3.04Å; I27-Q30 PolarHBondContact O-N 2.84Å; I27-Q30 VanDerWaalsContact O-N 3.09Å; I27-I31 HydrophobicContact CG2-CD1 3.74Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 WeakPolarHBondContact O-CG1 3.4Å; I27-I31 PolarHBondContact O-N 3.22Å; I27-W39 HydrophobicContact CG2-CD2 3.6Å; I27-W39 HydrophobicContact CG2-CE3 3.49Å; I27-W39 VanDerWaalsContact CG2-CE3 3.49Å; I27-W39 HydrophobicContact CG2-CG 4.15Å; I27-W39 HydrophobicContact CG2-CH2 4.23Å; I27-W39 HydrophobicContact CG2-CZ2 4.33Å; I27-W39 HydrophobicContact CG2-CZ3 3.81Å; I27-I40 HydrophobicContact CD1-CB 3.96Å; I27-I40 WeakPolarHBondContact CD1-O 3.46Å; I27-L75 HydrophobicContact CD1-CD1 4Å; I27-L75 HydrophobicContact CG1-CD1 3.91Å
28L95.2Very high92.3Very high86 Ų8679.3 Ų79.345%0.4536%0.364SS..Hα-helixtrans-55.8-46.2176.8179.561.8000111N24 I25 Q30 I31 L32 W39N24-L28 VanDerWaalsContact O-CB 3.29Å; N24-L28 WeakPolarHBondContact O-CB 3.32Å; N24-L28 PolarHBondContact O-N 2.81Å; I25-L28 PolarHBondContact O-N 2.93Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.34Å; L28-I31 PolarHBondContact O-N 2.67Å; L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.35Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CG 3.25Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-W39 HydrophobicContact CB-CH2 4.22Å; L28-W39 HydrophobicContact CB-CZ3 4.29Å
29Y94.8Very high92Very high117 Ų11779.1 Ų79.146%0.45936%0.363SS..Hα-helixtrans-59.7-42176.1177.8-103000112.8I25 I26 I27 R33I25-Y29 WeakPolarHBondContact O-CB 3.49Å; I25-Y29 PolarHBondContact O-N 3.35Å; I26-Y29 PolarHBondContact O-N 3.3Å; I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 PolarHBondContact O-N 3.04Å; Y29-R33 HydrophobicContact CD2-CG 4.5Å; Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 HydrophobicContact CE2-CG 4.03Å; Y29-R33 WeakPolarHBondContact O-CB 3.37Å; Y29-R33 WeakPolarHBondContact O-CG 3.43Å; Y29-R33 PolarHBondContact O-N 3.38Å; Y29-R33 VanDerWaalsContact O-N 3.07Å; Y29-R33 PolarHBondContact OH-NE 3.13Å
30Q92.9Very high91.8Very high45 Ų4579.4 Ų79.421%0.2137%0.365CS..Hα-helixtrans-66.5-37.5177.3-72.1178.111.600112.4I26 I27 L28 R33 K34 R35 R36I26-Q30 WeakPolarHBondContact O-CG 3.44Å; I26-Q30 PolarHBondContact O-N 3.07Å; I27-Q30 PolarHBondContact O-N 2.84Å; I27-Q30 VanDerWaalsContact O-N 3.09Å; L28-Q30 VanDerWaalsContact C-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.34Å; Q30-R33 PolarHBondContact O-N 3.24Å; Q30-K34 PolarHBondContact O-N 2.92Å; Q30-R35 PolarHBondContact O-N 3.32Å; Q30-R36 HydrophobicContact CB-CB 3.88Å; Q30-R36 VanDerWaalsContact OE1-CZ 3.31Å
31I92.4Very high91.7Very high58 Ų5882.2 Ų82.230%0.29738%0.376SS..Hα-helixtrans-66.2-47.9175.5-68.4168.9000110.5I27 L28 R33 K34 R36 W39I27-I31 HydrophobicContact CG2-CD1 3.74Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 WeakPolarHBondContact O-CG1 3.4Å; I27-I31 PolarHBondContact O-N 3.22Å; L28-I31 PolarHBondContact O-N 2.67Å; I31-R33 PolarHBondContact O-N 2.89Å; I31-K34 WeakPolarHBondContact O-CA 3.37Å; I31-K34 PolarHBondContact O-N 3.25Å; I31-R36 WeakPolarHBondContact CA-O 3.33Å; I31-R36 HydrophobicContact CG1-CB 4.35Å; I31-R36 HydrophobicContact CG1-CG 4.08Å; I31-W39 HydrophobicContact CD1-CE3 3.52Å; I31-W39 HydrophobicContact CD1-CZ3 3.95Å
32L94.3Very high91.6Very high131 Ų13178.9 Ų78.969%0.68636%0.355SS*.Hα-helixtrans-59.5-32.5177-69.8174.1000112.5L28 K34L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.35Å; L28-L32 HydrophobicContact CG-CD1 4.16Å; L28-L32 WeakPolarHBondContact O-CG 3.25Å; L28-L32 PolarHBondContact O-N 2.91Å; L32-K34 VanDerWaalsContact C-N 3.28Å; L32-K34 PolarHBondContact O-N 2.95Å
33R91.8Very high91.5Very high155 Ų15582.4 Ų82.459%0.58537%0.373SS*.THydrogen-bonded Turntrans-83.65.5174.9-71.1-68.9-167.5179.7-2.5114Y29 Q30 I31 R35Y29-R33 HydrophobicContact CD2-CG 4.5Å; Y29-R33 HydrophobicContact CE1-CG 4.16Å; Y29-R33 HydrophobicContact CE2-CG 4.03Å; Y29-R33 WeakPolarHBondContact O-CB 3.37Å; Y29-R33 WeakPolarHBondContact O-CG 3.43Å; Y29-R33 PolarHBondContact O-N 3.38Å; Y29-R33 VanDerWaalsContact O-N 3.07Å; Y29-R33 PolarHBondContact OH-NE 3.13Å; Q30-R33 PolarHBondContact O-N 3.24Å; I31-R33 PolarHBondContact O-N 2.89Å; R33-R35 HydrophobicContact CB-CG 4.13Å; R33-R35 PolarHBondContact O-N 3.29Å; R33-R35 VanDerWaalsContact O-N 3.16Å
34K85.7Confident91.3Very high190 Ų19085.4 Ų85.483%0.82639%0.389SS*.THydrogen-bonded Turntrans51.132.9-174.8-57.9-175.3178.2-176.50113.3Q30 I31 L32Q30-K34 PolarHBondContact O-N 2.92Å; I31-K34 WeakPolarHBondContact O-CA 3.37Å; I31-K34 PolarHBondContact O-N 3.25Å; L32-K34 VanDerWaalsContact C-N 3.28Å; L32-K34 PolarHBondContact O-N 2.95Å
35R83.6Confident91.2Very high193 Ų19384.1 Ų84.173%0.72838%0.383SS*.SBendtrans-94.5-7175.4-69.9-174.3176.1178.3-0.8112.4Q30 R33Q30-R35 PolarHBondContact O-N 3.32Å; R33-R35 HydrophobicContact CB-CG 4.13Å; R33-R35 PolarHBondContact O-N 3.29Å; R33-R35 VanDerWaalsContact O-N 3.16Å
36R85Confident91Very high13 Ų1382.7 Ų82.75%0.04937%0.37CS..  trans-154.7135-173.6169.8-178.9-65.9-60-18.4108.3Q30 I31 R38 E62Q30-R36 HydrophobicContact CB-CB 3.88Å; Q30-R36 VanDerWaalsContact OE1-CZ 3.31Å; I31-R36 WeakPolarHBondContact CA-O 3.33Å; I31-R36 HydrophobicContact CG1-CB 4.35Å; I31-R36 HydrophobicContact CG1-CG 4.08Å; R36-R38 WeakPolarHBondContact CD-O 3.1Å; R36-R38 WeakPolarHBondContact CG-O 3.43Å; R36-E62 IonicContact CZ-OE2 3.88Å; R36-E62 IonicContact NH1-OE1 3.55Å; R36-E62 IonicContact NH1-OE2 3.4Å; R36-E62 PolarHBondContact NH1-OE2 2.87Å; R36-E62 IonicContact NH2-OE2 3.02Å; R36-E62 PolarHBondContact NH2-OE2 3.34Å
37D80.7Confident91Very high141 Ų14183.3 Ų83.375%0.75438%0.376SS*.SBendtrans-106.2-12.2-179.2-53.9-40.3000113.3
38R83.3Confident91Very high97 Ų9786.3 Ų86.337%0.36639%0.394SS..SBendtrans-128.7143.3-176.4-67.9-170.3-63.8177.9-0.9113R36R36-R38 WeakPolarHBondContact CD-O 3.1Å; R36-R38 WeakPolarHBondContact CG-O 3.43Å
39W90.6Very high90.9Very high98 Ų9884 Ų8437%0.37138%0.381SS..  trans-74.3125.9171-157.7-86.8000110.5N24 I27 L28 I31 H41N24-W39 HydrophobicContact CB-CH2 4.35Å; N24-W39 HydrophobicContact CB-CZ2 3.78Å; N24-W39 WeakPolarHBondContact OD1-CZ2 3.17Å; N24-W39 PolarHBondContact OD1-NE1 3.25Å; I27-W39 HydrophobicContact CG2-CD2 3.6Å; I27-W39 HydrophobicContact CG2-CE3 3.49Å; I27-W39 VanDerWaalsContact CG2-CE3 3.49Å; I27-W39 HydrophobicContact CG2-CG 4.15Å; I27-W39 HydrophobicContact CG2-CH2 4.23Å; I27-W39 HydrophobicContact CG2-CZ2 4.33Å; I27-W39 HydrophobicContact CG2-CZ3 3.81Å; L28-W39 HydrophobicContact CB-CH2 4.22Å; L28-W39 HydrophobicContact CB-CZ3 4.29Å; I31-W39 HydrophobicContact CD1-CE3 3.52Å; I31-W39 HydrophobicContact CD1-CZ3 3.95Å; W39-H41 AromaticContact CD1-CE1 3.68Å; W39-H41 AromaticContact CD1-ND1 3.74Å; W39-H41 AromaticContact CD1-NE2 3.96Å
40I91.6Very high90.9Very high6 Ų681.4 Ų81.43%0.03137%0.373CS..  trans-96.4112.1169.4-57.6177000107.6W23 I27 I42 H60 E62 L63W23-I40 HydrophobicContact CZ2-CB 4.4Å; W23-I40 HydrophobicContact CZ2-CG2 3.84Å; W23-I40 PolarHBondContact NE1-O 2.77Å; I27-I40 HydrophobicContact CD1-CB 3.96Å; I27-I40 WeakPolarHBondContact CD1-O 3.46Å; I40-I42 PolarHBondContact O-N 3.4Å; I40-H60 VanDerWaalsContact CD1-CE1 3.49Å; I40-H60 WeakPolarHBondContact CD1-CE1 3.36Å; I40-H60 WeakPolarHBondContact CD1-ND1 3.37Å; I40-E62 HydrophobicContact CD1-CB 4.09Å; I40-L63 HydrophobicContact CD1-CD2 4.33Å
41H93.5Very high90.8Very high115 Ų11583.1 Ų83.153%0.53238%0.383SS..  trans-71.6128.7174.9-63.3-83.2000110W39 N43 D44W39-H41 AromaticContact CD1-CE1 3.68Å; W39-H41 AromaticContact CD1-ND1 3.74Å; W39-H41 AromaticContact CD1-NE2 3.96Å; H41-N43 PolarHBondContact O-N 2.82Å; H41-N43 VanDerWaalsContact O-N 3.16Å; H41-D44 HydrophobicContact CB-CB 4.26Å; H41-D44 WeakPolarHBondContact O-CB 3.21Å; H41-D44 PolarHBondContact O-N 3.02Å
42I94.8Very high90.4Very high4 Ų482 Ų822%0.02138%0.377CS..THydrogen-bonded Turntrans-59.6-27.8176.3-166.4168.6000111.9V19 L20 W23 I40 D44 Q80 Y83 N84V19-I42 HydrophobicContact CG1-CD1 3.6Å; L20-I42 HydrophobicContact CD1-CG2 3.53Å; W23-I42 HydrophobicContact CB-CD1 4.18Å; W23-I42 HydrophobicContact CD2-CB 3.93Å; W23-I42 HydrophobicContact CD2-CD1 3.89Å; W23-I42 HydrophobicContact CD2-CG1 3.91Å; W23-I42 HydrophobicContact CE3-CB 4.47Å; W23-I42 HydrophobicContact CE3-CD1 3.79Å; W23-I42 HydrophobicContact CE3-CG1 3.95Å; W23-I42 HydrophobicContact CG-CB 4.08Å; W23-I42 HydrophobicContact CG-CD1 4.07Å; W23-I42 HydrophobicContact CG-CG1 4.36Å; W23-I42 HydrophobicContact CZ2-CB 4.35Å; W23-I42 HydrophobicContact CZ2-CG1 4.47Å; W23-I42 HydrophobicContact CZ3-CD1 4.46Å; W23-I42 HydrophobicContact CZ3-CG1 4.25Å; I40-I42 PolarHBondContact O-N 3.4Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 3.33Å; I42-Q80 HydrophobicContact CG1-CG 4.35Å; I42-Q80 WeakPolarHBondContact O-CG 3.22Å; I42-Q80 PolarHBondContact O-NE2 2.95Å; I42-Y83 HydrophobicContact CD1-CD1 4.21Å; I42-Y83 HydrophobicContact CD1-CD2 3.83Å; I42-Y83 HydrophobicContact CD1-CG 3.6Å; I42-Y83 HydrophobicContact CG1-CD1 4.04Å; I42-Y83 HydrophobicContact CG1-CG 3.92Å; I42-Y83 HydrophobicContact CG2-CD1 4.07Å; I42-Y83 HydrophobicContact CG2-CE1 3.99Å; I42-Y83 HydrophobicContact CG2-CG 4.41Å; I42-N84 PolarHBondContact O-ND2 2.7Å
43N94Very high90.3Very high100 Ų10075.7 Ų75.754%0.53534%0.344SS..THydrogen-bonded Turntrans-75.4-15.1177.3-59.4-10.5000113.7H41 L45 Y83H41-N43 PolarHBondContact O-N 2.82Å; H41-N43 VanDerWaalsContact O-N 3.16Å; N43-L45 PolarHBondContact O-N 2.83Å; N43-Y83 WeakPolarHBondContact OD1-CE1 3.44Å
44D92.2Very high90.4Very high63 Ų6368.3 Ų68.334%0.33732%0.316SS..  trans-77.959.9-179.7-173.419.9000110.9H41 I42 R46 Q80H41-D44 HydrophobicContact CB-CB 4.26Å; H41-D44 WeakPolarHBondContact O-CB 3.21Å; H41-D44 PolarHBondContact O-N 3.02Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 3.33Å; D44-R46 WeakPolarHBondContact OD1-CG 3.47Å; D44-R46 IonicContact OD1-CZ 2.82Å; D44-R46 IonicContact OD1-NE 2.98Å; D44-R46 PolarHBondContact OD1-NE 3.25Å; D44-R46 IonicContact OD1-NH2 2.7Å; D44-R46 IonicContact OD2-CZ 3.86Å; D44-R46 IonicContact OD2-NE 2.7Å; D44-R46 PolarHBondContact OD2-NE 3.06Å; D44-R46 IonicContact OD2-NH2 2.87Å; D44-R46 PolarHBondContact OD2-NH2 3.05Å; D44-Q80 VanDerWaalsContact C-NE2 3.32Å; D44-Q80 PolarHBondContact O-NE2 3.42Å
45L93.6Very high90.9Very high19 Ų1959.3 Ų59.310%0.09928%0.277CS..  trans-90.4102.5172.7-176.772.7000109.3N43 V47 I57 L77 Q80 L81 N84 R85N43-L45 PolarHBondContact O-N 2.83Å; L45-V47 HydrophobicContact CD2-CG2 3.92Å; L45-V47 HydrophobicContact CG-CG2 3.96Å; L45-V47 PolarHBondContact O-N 3.46Å; L45-V47 VanDerWaalsContact O-N 3.12Å; L45-I57 HydrophobicContact CD1-CD1 3.98Å; L45-I57 HydrophobicContact CD1-CG1 4.28Å; L45-I57 HydrophobicContact CD1-CG2 4.01Å; L45-L77 HydrophobicContact CD1-CD1 4.03Å; L45-Q80 HydrophobicContact CD1-CG 4.3Å; L45-L81 HydrophobicContact CD2-CD1 3.81Å; L45-N84 HydrophobicContact CB-CB 4.28Å; L45-N84 HydrophobicContact CD2-CB 3.73Å; L45-R85 HydrophobicContact CD2-CG 4.35Å
46R93Very high91.5Very high72 Ų7250.1 Ų50.127%0.27224%0.242SC..  trans-86.486.9-175.6-60.1-175.6-169.41715.8111.7D44 I57 N58D44-R46 WeakPolarHBondContact OD1-CG 3.47Å; D44-R46 IonicContact OD1-CZ 2.82Å; D44-R46 IonicContact OD1-NE 2.98Å; D44-R46 PolarHBondContact OD1-NE 3.25Å; D44-R46 IonicContact OD1-NH2 2.7Å; D44-R46 IonicContact OD2-CZ 3.86Å; D44-R46 IonicContact OD2-NE 2.7Å; D44-R46 PolarHBondContact OD2-NE 3.06Å; D44-R46 IonicContact OD2-NH2 2.87Å; D44-R46 PolarHBondContact OD2-NH2 3.05Å; R46-I57 CarbonylContact O-C 3.57Å; R46-I57 WeakPolarHBondContact O-CA 3.4Å; R46-N58 HydrophobicContact CB-CB 4.05Å; R46-N58 PolarHBondContact O-N 2.91Å
47V94.4Very high92Very high46 Ų4649.5 Ų49.528%0.27924%0.24SC..EExtended strand (participates in β ladder)trans-79.8123.1178179.80000109.8L45 H49 E50 I57L45-V47 HydrophobicContact CD2-CG2 3.92Å; L45-V47 HydrophobicContact CG-CG2 3.96Å; L45-V47 PolarHBondContact O-N 3.46Å; L45-V47 VanDerWaalsContact O-N 3.12Å; V47-H49 WeakPolarHBondContact CG1-O 3.32Å; V47-E50 HydrophobicContact CG1-CB 3.55Å; V47-I57 HydrophobicContact CG2-CG1 4.39Å
48V93.5Very high92.6Very high63 Ų6343.3 Ų43.338%0.38221%0.207SC..EExtended strand (participates in β ladder)trans-93.1-35.6172.8178.20000110.5V56 N58 L110 F323V48-V56 HydrophobicContact CB-CG1 4.39Å; V48-V56 PolarHBondContact N-O 3.27Å; V48-N58 HydrophobicContact CG2-CB 4.29Å; V48-L110 HydrophobicContact CB-CD2 4.35Å; V48-L110 HydrophobicContact CG1-CD2 4.4Å; V48-L110 HydrophobicContact CG2-CD2 3.85Å; V48-F323 HydrophobicContact CG1-CB 4.38Å
49H94.1Very high93.2Very high39 Ų3938.7 Ų38.718%0.18119%0.189CC..EExtended strand (participates in β ladder)trans-144.4140.6176-175.679000110V47 F54 L55 V56 F323V47-H49 WeakPolarHBondContact CG1-O 3.32Å; H49-F54 AromaticContact CD2-CE2 3.48Å; H49-F54 VanDerWaalsContact CD2-CE2 3.48Å; H49-F54 WeakPolarHBondContact CD2-CE2 3.35Å; H49-F54 AromaticContact CD2-CZ 3.64Å; H49-F54 AromaticContact NE2-CE2 3.95Å; H49-F54 AromaticContact NE2-CZ 3.59Å; H49-L55 CarbonylContact O-C 3.49Å; H49-L55 WeakPolarHBondContact O-CA 2.95Å; H49-V56 HydrophobicContact CB-CB 3.97Å; H49-V56 HydrophobicContact CB-CG2 4.11Å; H49-V56 PolarHBondContact N-O 2.91Å; H49-V56 VanDerWaalsContact N-O 3.16Å; H49-V56 PolarHBondContact O-N 2.91Å; H49-F323 HydrophobicContact CB-CD1 3.86Å; H49-F323 HydrophobicContact CB-CE1 3.44Å; H49-F323 VanDerWaalsContact CB-CE1 3.44Å; H49-F323 HydrophobicContact CB-CZ 4.33Å; H49-F323 AromaticContact CG-CE1 3.51Å; H49-F323 AromaticContact ND1-CE1 3.89Å
50E93.8Very high93.3Very high61 Ų6135 Ų3529%0.28518%0.176SC..EExtended strand (participates in β ladder)trans-151.389.9176.6174.3174.9-172.600108.2V47 L55 R85 Y88V47-E50 HydrophobicContact CG1-CB 3.55Å; E50-L55 HydrophobicContact CB-CD2 4.11Å; E50-L55 HydrophobicContact CB-CG 4.42Å; E50-L55 HydrophobicContact CG-CD2 3.81Å; E50-L55 HydrophobicContact CG-CG 4.27Å; E50-R85 VanDerWaalsContact CD-NE 3.35Å; E50-R85 VanDerWaalsContact OE1-CD 3.26Å; E50-R85 WeakPolarHBondContact OE1-CD 3.31Å; E50-R85 IonicContact OE1-CZ 3.47Å; E50-R85 IonicContact OE1-NE 3.81Å; E50-R85 PolarHBondContact OE1-NE 3.5Å; E50-R85 IonicContact OE1-NH2 2.95Å; E50-R85 IonicContact OE2-CZ 2.83Å; E50-R85 IonicContact OE2-NE 3.3Å; E50-R85 PolarHBondContact OE2-NE 3.02Å; E50-R85 VanDerWaalsContact OE2-NE 3.16Å; E50-R85 IonicContact OE2-NH2 3.83Å; E50-R85 PolarHBondContact OE2-NH2 2.93Å; E50-Y88 HydrophobicContact CG-CE2 4.11Å; E50-Y88 WeakPolarHBondContact OE1-CE2 3.47Å; E50-Y88 PolarHBondContact OE1-OH 3.27Å
51N89.9Confident93.4Very high81 Ų8134.8 Ų34.843%0.43318%0.175SC..EExtended strand (participates in β ladder)trans-164.6169.6175.5-151.2-19.8000110.5G53 F54N51-G53 PolarHBondContact O-N 2.94Å; N51-F54 PolarHBondContact N-O 2.85Å; N51-F54 PolarHBondContact O-N 2.87Å; N51-F54 VanDerWaalsContact O-N 3.1Å
52Q85.9Confident93.2Very high34 Ų3431.4 Ų31.416%0.15916%0.16CC..THydrogen-bonded Turntrans55.731.2165.4-57.7176.2-67.200114.7F54 Y321Q52-F54 HydrophobicContact CB-CE1 4.24Å; Q52-Y321 PolarHBondContact NE2-OH 3.43Å; Q52-Y321 VanDerWaalsContact OE1-CZ 3.26Å; Q52-Y321 PolarHBondContact OE1-OH 2.9Å
53G90.2Very high93.2Very high0 Ų031.2 Ų31.20%016%0.159CC..THydrogen-bonded Turntrans91.71.5175.500000115.2N51 A114 Y115 D116N51-G53 PolarHBondContact O-N 2.94Å; G53-A114 WeakPolarHBondContact O-CA 3.28Å; G53-Y115 VanDerWaalsContact C-CD1 3.44Å; G53-Y115 PolarHBondContact N-OH 3.42Å; G53-Y115 WeakPolarHBondContact O-CD1 3.43Å; G53-Y115 PolarHBondContact O-N 2.94Å; G53-D116 PolarHBondContact O-N 3.26Å
54F94.9Very high93.2Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-145.5163.4178.371.5-80.4000114.3H49 N51 Q52 V56 I113 A114 I123 L294 Y321 F323H49-F54 AromaticContact CD2-CE2 3.48Å; H49-F54 VanDerWaalsContact CD2-CE2 3.48Å; H49-F54 WeakPolarHBondContact CD2-CE2 3.35Å; H49-F54 AromaticContact CD2-CZ 3.64Å; H49-F54 AromaticContact NE2-CE2 3.95Å; H49-F54 AromaticContact NE2-CZ 3.59Å; N51-F54 PolarHBondContact N-O 2.85Å; N51-F54 PolarHBondContact O-N 2.87Å; N51-F54 VanDerWaalsContact O-N 3.1Å; Q52-F54 HydrophobicContact CB-CE1 4.24Å; F54-V56 HydrophobicContact CD2-CG2 4.17Å; F54-V56 HydrophobicContact CE2-CG2 4Å; F54-I113 CarbonylContact C-O 3.25Å; F54-I113 WeakPolarHBondContact CA-O 3.1Å; F54-A114 HydrophobicContact CB-CB 4.1Å; F54-I123 HydrophobicContact CB-CD1 3.64Å; F54-I123 HydrophobicContact CD1-CD1 3.97Å; F54-I123 HydrophobicContact CD2-CD1 4.17Å; F54-I123 HydrophobicContact CG-CD1 3.66Å; F54-L294 HydrophobicContact CE1-CD1 4.11Å; F54-L294 HydrophobicContact CZ-CD1 4.43Å; F54-Y321 HydrophobicContact CZ-CD1 4.16Å; F54-Y321 HydrophobicContact CZ-CE1 4.07Å; F54-Y321 HydrophobicContact CZ-CG 4.47Å; F54-F323 HydrophobicContact CE2-CE2 4.33Å; F54-F323 AromaticContact CE2-CZ 3.73Å; F54-F323 HydrophobicContact CE2-CZ 3.73Å; F54-F323 HydrophobicContact CZ-CZ 4.11Å
55L95.3Very high93.4Very high0 Ų028.1 Ų28.10%014%0.142CC..EExtended strand (participates in β ladder)trans-122.9146.3174.3-52.3100.6000110.3H49 E50 I57 L81 Y88 C112 I113 Y115H49-L55 CarbonylContact O-C 3.49Å; H49-L55 WeakPolarHBondContact O-CA 2.95Å; E50-L55 HydrophobicContact CB-CD2 4.11Å; E50-L55 HydrophobicContact CB-CG 4.42Å; E50-L55 HydrophobicContact CG-CD2 3.81Å; E50-L55 HydrophobicContact CG-CG 4.27Å; L55-I57 HydrophobicContact CB-CD1 4.29Å; L55-I57 HydrophobicContact CB-CG1 4.41Å; L55-L81 HydrophobicContact CD1-CD1 4.46Å; L55-L81 HydrophobicContact CD2-CD1 4.16Å; L55-Y88 HydrophobicContact CD1-CD2 4.04Å; L55-Y88 HydrophobicContact CD1-CE2 4.41Å; L55-Y88 HydrophobicContact CD2-CD2 4.3Å; L55-Y88 HydrophobicContact CD2-CE2 4.12Å; L55-C112 CarbonylContact O-C 3.49Å; L55-C112 WeakPolarHBondContact O-CA 3.31Å; L55-I113 PolarHBondContact N-O 3.32Å; L55-I113 PolarHBondContact O-N 2.95Å; L55-Y115 HydrophobicContact CD1-CD1 3.51Å; L55-Y115 HydrophobicContact CD1-CE1 4.11Å; L55-Y115 HydrophobicContact CG-CD1 4.27Å; L55-Y115 HydrophobicContact CG-CE1 4.41Å
56V96.3Very high93.4Very high0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-116.6124164.6-176.80000107.8V48 H49 F54 L110 I111 C112 M290 F323V48-V56 HydrophobicContact CB-CG1 4.39Å; V48-V56 PolarHBondContact N-O 3.27Å; H49-V56 HydrophobicContact CB-CB 3.97Å; H49-V56 HydrophobicContact CB-CG2 4.11Å; H49-V56 PolarHBondContact N-O 2.91Å; H49-V56 VanDerWaalsContact N-O 3.16Å; H49-V56 PolarHBondContact O-N 2.91Å; F54-V56 HydrophobicContact CD2-CG2 4.17Å; F54-V56 HydrophobicContact CE2-CG2 4Å; V56-L110 HydrophobicContact CG1-CB 4.24Å; V56-L110 HydrophobicContact CG1-CD2 3.79Å; V56-L110 HydrophobicContact CG1-CG 4.5Å; V56-I111 WeakPolarHBondContact CA-O 3.49Å; V56-C112 HydrophobicContact CG2-CB 4.36Å; V56-M290 HydrophobicContact CG1-CE 3.86Å; V56-M290 HydrophobicContact CG2-CE 4.17Å; V56-F323 HydrophobicContact CB-CD1 4.32Å; V56-F323 HydrophobicContact CB-CG 4.33Å; V56-F323 HydrophobicContact CG1-CB 4.18Å; V56-F323 HydrophobicContact CG1-CD2 4.38Å; V56-F323 HydrophobicContact CG1-CG 4.1Å; V56-F323 HydrophobicContact CG2-CD1 4.07Å; V56-F323 HydrophobicContact CG2-CD2 3.85Å; V56-F323 HydrophobicContact CG2-CE1 3.94Å; V56-F323 HydrophobicContact CG2-CE2 3.7Å; V56-F323 HydrophobicContact CG2-CG 4.02Å; V56-F323 HydrophobicContact CG2-CZ 3.73Å
57I95.5Very high93.2Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-121139.2-173.9-67.7153.5000109.3L45 R46 V47 L55 K59 L77 L81 L110 I111 I113L45-I57 HydrophobicContact CD1-CD1 3.98Å; L45-I57 HydrophobicContact CD1-CG1 4.28Å; L45-I57 HydrophobicContact CD1-CG2 4.01Å; R46-I57 CarbonylContact O-C 3.57Å; R46-I57 WeakPolarHBondContact O-CA 3.4Å; V47-I57 HydrophobicContact CG2-CG1 4.39Å; L55-I57 HydrophobicContact CB-CD1 4.29Å; L55-I57 HydrophobicContact CB-CG1 4.41Å; I57-K59 PolarHBondContact O-N 3.05Å; I57-L77 HydrophobicContact CD1-CD1 4.47Å; I57-L77 HydrophobicContact CG2-CD1 4.13Å; I57-L81 HydrophobicContact CD1-CD1 4.15Å; I57-L110 CarbonylContact O-C 3.45Å; I57-L110 WeakPolarHBondContact O-CA 3.3Å; I57-I111 HydrophobicContact CB-CG2 4.19Å; I57-I111 PolarHBondContact N-O 2.9Å; I57-I111 PolarHBondContact O-N 3.46Å; I57-I113 HydrophobicContact CD1-CD1 4.1Å
58N95Very high93Very high10 Ų1030.8 Ų30.85%0.05317%0.166CC..EExtended strand (participates in β ladder)trans-8195164.7-177-2.3000109R46 V48 G109 T325R46-N58 HydrophobicContact CB-CB 4.05Å; R46-N58 PolarHBondContact O-N 2.91Å; V48-N58 HydrophobicContact CG2-CB 4.29Å; N58-G109 VanDerWaalsContact OD1-CA 3.26Å; N58-G109 WeakPolarHBondContact OD1-CA 3.16Å; N58-G109 PolarHBondContact OD1-N 3.04Å; N58-T325 HydrophobicContact CB-CG2 4.36Å
59K94.9Very high92.8Very high1 Ų130.7 Ų30.70%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-70.5134.9-175.3-169.4-171.173.168.10111.3I57 L63 I65 L77 L103 D104 C105 T107 S108 G109 I111I57-K59 PolarHBondContact O-N 3.05Å; K59-L63 PolarHBondContact NZ-O 2.85Å; K59-I65 HydrophobicContact CD-CG1 4.12Å; K59-L77 HydrophobicContact CD-CD2 4.17Å; K59-L77 HydrophobicContact CG-CD2 4.06Å; K59-L103 HydrophobicContact CB-CD2 4.31Å; K59-L103 HydrophobicContact CD-CD2 4.31Å; K59-D104 PolarHBondContact NZ-O 2.9Å; K59-C105 PolarHBondContact NZ-O 2.81Å; K59-T107 WeakPolarHBondContact CE-O 3.25Å; K59-T107 PolarHBondContact NZ-O 2.7Å; K59-S108 WeakPolarHBondContact O-CA 3.25Å; K59-G109 WeakPolarHBondContact CB-O 3.18Å; K59-G109 PolarHBondContact N-O 2.86Å; K59-G109 PolarHBondContact O-N 3.4Å; K59-G109 VanDerWaalsContact O-N 3.11Å; K59-I111 HydrophobicContact CB-CG2 3.95Å
60H93.7Very high92.7Very high19 Ų1929.3 Ų29.39%0.08816%0.16CC..  trans-62.2138.4168.8-166-81.8000111.2I40 E62 L63 F330I40-H60 VanDerWaalsContact CD1-CE1 3.49Å; I40-H60 WeakPolarHBondContact CD1-CE1 3.36Å; I40-H60 WeakPolarHBondContact CD1-ND1 3.37Å; H60-E62 IonicContact CE1-OE1 3.74Å; H60-E62 WeakPolarHBondContact ND1-CB 2.98Å; H60-E62 PolarHBondContact ND1-N 2.99Å; H60-E62 VanDerWaalsContact ND1-N 3.11Å; H60-E62 PolarHBondContact O-N 3.08Å; H60-E62 VanDerWaalsContact O-N 3.09Å; H60-L63 HydrophobicContact CB-CD1 3.86Å; H60-L63 HydrophobicContact CB-CG 3.97Å; H60-L63 PolarHBondContact O-N 3.05Å; H60-F330 HydrophobicContact CB-CZ 4.2Å; H60-F330 AromaticContact CD2-CE1 3.19Å; H60-F330 WeakPolarHBondContact CD2-CE1 3.35Å; H60-F330 AromaticContact CD2-CZ 3.37Å; H60-F330 WeakPolarHBondContact CD2-CZ 2.98Å; H60-F330 AromaticContact NE2-CE1 3.55Å
61P92.1Very high92.6Very high3 Ų330.5 Ų30.52%0.01916%0.162CC..THydrogen-bonded Turntrans-68.6-5.5-178.526.1-33.8000114.5C105 P106 H282 F330P61-C105 CarbonylContact C-O 3.49Å; P61-C105 VanDerWaalsContact C-O 3.25Å; P61-C105 CarbonylContact O-C 3.54Å; P61-P106 WeakPolarHBondContact CB-O 3.49Å; P61-P106 CarbonylContact O-C 3.4Å; P61-P106 WeakPolarHBondContact O-CA 3.33Å; P61-H282 HydrophobicContact CB-CB 3.77Å; P61-H282 HydrophobicContact CG-CB 4.02Å; P61-H282 VanDerWaalsContact CG-CG 3.47Å; P61-F330 HydrophobicContact CG-CB 4.3Å; P61-F330 HydrophobicContact CG-CD1 4.27Å; P61-F330 HydrophobicContact CG-CG 4.3Å
62E91Very high92.6Very high43 Ų4332.2 Ų32.220%0.20117%0.17CC..THydrogen-bonded Turntrans-109.63.2179.7-60-179.1-130.800113.4R36 I40 H60R36-E62 IonicContact CZ-OE2 3.88Å; R36-E62 IonicContact NH1-OE1 3.55Å; R36-E62 IonicContact NH1-OE2 3.4Å; R36-E62 PolarHBondContact NH1-OE2 2.87Å; R36-E62 IonicContact NH2-OE2 3.02Å; R36-E62 PolarHBondContact NH2-OE2 3.34Å; I40-E62 HydrophobicContact CD1-CB 4.09Å; H60-E62 IonicContact CE1-OE1 3.74Å; H60-E62 WeakPolarHBondContact ND1-CB 2.98Å; H60-E62 PolarHBondContact ND1-N 2.99Å; H60-E62 VanDerWaalsContact ND1-N 3.11Å; H60-E62 PolarHBondContact O-N 3.08Å; H60-E62 VanDerWaalsContact O-N 3.09Å
63L93.7Very high92.9Very high0 Ų034.3 Ų34.30%018%0.182CC..  trans-97.9126.5178-65.8178.2000111.1W23 I40 K59 H60 L75W23-L63 HydrophobicContact CH2-CD1 4.17Å; W23-L63 HydrophobicContact CH2-CD2 3.63Å; W23-L63 HydrophobicContact CZ2-CD2 4.12Å; W23-L63 HydrophobicContact CZ3-CD2 4.48Å; I40-L63 HydrophobicContact CD1-CD2 4.33Å; K59-L63 PolarHBondContact NZ-O 2.85Å; H60-L63 HydrophobicContact CB-CD1 3.86Å; H60-L63 HydrophobicContact CB-CG 3.97Å; H60-L63 PolarHBondContact O-N 3.05Å; L63-L75 HydrophobicContact CD2-CD1 3.83Å; L63-L75 HydrophobicContact CD2-CG 3.94Å
64L94.3Very high93Very high82 Ų8234.3 Ų34.343%0.42918%0.182SC..BIsolated β-bridgetrans-63.8144.4160.2-70.6170.4000109T76 L77 C105L64-T76 HydrophobicContact CB-CG2 4.1Å; L64-T76 CarbonylContact O-C 3.6Å; L64-T76 WeakPolarHBondContact O-CA 3.47Å; L64-T76 WeakPolarHBondContact O-CB 3.33Å; L64-L77 PolarHBondContact O-N 3.41Å; L64-C105 HydrophobicContact CD2-CB 3.75Å
65I95.6Very high93Very high17 Ų1735.2 Ų35.29%0.08719%0.187CC..SBendtrans-64.4-50.7176.9-68.5175.4000110.7K59 Q78 F99 R102 L103 I111K59-I65 HydrophobicContact CD-CG1 4.12Å; I65-Q78 WeakPolarHBondContact O-CB 3.37Å; I65-Q78 PolarHBondContact O-N 2.89Å; I65-F99 HydrophobicContact CG2-CD1 3.13Å; I65-F99 HydrophobicContact CG2-CE1 3.16Å; I65-F99 HydrophobicContact CG2-CG 3.92Å; I65-F99 HydrophobicContact CG2-CZ 3.97Å; I65-R102 HydrophobicContact CD1-CB 4.37Å; I65-L103 HydrophobicContact CD1-CB 4.08Å; I65-L103 WeakPolarHBondContact CD1-O 3.15Å; I65-I111 HydrophobicContact CD1-CD1 3.38Å; I65-I111 HydrophobicContact CG1-CD1 3.72Å; I65-I111 HydrophobicContact CG2-CD1 4.17Å
66N93.4Very high93Very high56 Ų5635.2 Ų35.230%0.29919%0.187SC..  trans-151.2169.5-179.155.233.8000110.1Q78 N95 F99N66-Q78 HydrophobicContact CB-CB 4.18Å; N66-Q78 VanDerWaalsContact CB-OE1 3.23Å; N66-N95 PolarHBondContact ND2-ND2 2.7Å; N66-F99 HydrophobicContact CB-CE2 4.22Å; N66-F99 HydrophobicContact CB-CZ 4.42Å
67C90.1Very high93Very high24 Ų2435.2 Ų35.216%0.16219%0.187CC..  trans-139.6155.8177.3-171.70000109.8T69 P70 N73 T76C67-T69 VanDerWaalsContact C-N 3.27Å; C67-T69 PolarHBondContact O-N 3.36Å; C67-P70 WeakPolarHBondContact O-CD 3.17Å; C67-N73 HydrophobicContact CB-CB 4.39Å; C67-T76 HydrophobicContact CB-CG2 3.91Å
68T89.1Confident93.1Very high112 Ų11235.2 Ų35.269%0.68719%0.187SC*.SBendtrans-66.3-30.1174.346.10000112.6P70T68-P70 VanDerWaalsContact C-CD 3.48Å; T68-P70 WeakPolarHBondContact O-CD 3.49Å
69T90.8Very high93.1Very high61 Ų6134.8 Ų34.837%0.37418%0.184SC..SBendtrans-122.265.5179.650.90000110.6C67 W71 I72 N73C67-T69 VanDerWaalsContact C-N 3.27Å; C67-T69 PolarHBondContact O-N 3.36Å; T69-W71 PolarHBondContact O-N 3.24Å; T69-I72 PolarHBondContact O-N 3.4Å; T69-I72 VanDerWaalsContact O-N 3.11Å; T69-N73 PolarHBondContact O-N 2.92Å; T69-N73 PolarHBondContact OG1-ND2 2.97Å
70P91Very high93.2Very high11 Ų1135 Ų357%0.07119%0.185CC..THydrogen-bonded Turntrans-73-17.5-165.436-40.4000112.9C67 T68 I72 N73 C74 M79C67-P70 WeakPolarHBondContact O-CD 3.17Å; T68-P70 VanDerWaalsContact C-CD 3.48Å; T68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-I72 VanDerWaalsContact C-N 3.34Å; P70-N73 CarbonylContact O-C 3.55Å; P70-C74 WeakPolarHBondContact O-CA 3.47Å; P70-C74 PolarHBondContact O-N 2.81Å; P70-C74 PolarHBondContact O-SG 2.6Å; P70-M79 HydrophobicContact CB-CE 3.37Å; P70-M79 HydrophobicContact CB-CG 4.22Å; P70-M79 HydrophobicContact CG-CE 3.61Å; P70-M79 WeakPolarHBondContact O-CG 3.29Å
71W92Very high93.4Very high86 Ų8634 Ų3433%0.32618%0.181SC..THydrogen-bonded Turntrans-77.9-16.1173.8-56.6109.8000114.1L15 Y18 V19 T69 C74 M79 F82 W91 M96L15-W71 HydrophobicContact CB-CZ3 4.48Å; L15-W71 HydrophobicContact CD1-CH2 4.22Å; L15-W71 HydrophobicContact CD2-CH2 4.41Å; L15-W71 HydrophobicContact CD2-CZ3 4.01Å; Y18-W71 HydrophobicContact CE1-CE3 4.46Å; Y18-W71 WeakPolarHBondContact CE1-O 3.4Å; Y18-W71 PolarHBondContact OH-O 3.42Å; V19-W71 HydrophobicContact CG2-CE3 4.33Å; V19-W71 HydrophobicContact CG2-CZ3 4.05Å; T69-W71 PolarHBondContact O-N 3.24Å; W71-C74 PolarHBondContact O-SG 3.41Å; W71-M79 HydrophobicContact CD2-CE 3.89Å; W71-M79 HydrophobicContact CE3-CE 3.95Å; W71-M79 HydrophobicContact CE3-SD 4.36Å; W71-M79 HydrophobicContact CG-CE 4.45Å; W71-M79 HydrophobicContact CH2-CE 4.19Å; W71-M79 HydrophobicContact CZ2-CE 4.13Å; W71-M79 HydrophobicContact CZ3-CE 4.11Å; W71-M79 HydrophobicContact CZ3-SD 4.29Å; W71-F82 HydrophobicContact CH2-CE1 4.35Å; W71-F82 HydrophobicContact CH2-CE2 4.28Å; W71-F82 HydrophobicContact CH2-CZ 4.15Å; W71-F82 HydrophobicContact CZ3-CE1 4.23Å; W71-F82 HydrophobicContact CZ3-CZ 4.4Å; W71-W91 HydrophobicContact CH2-CH2 4.15Å; W71-W91 HydrophobicContact CH2-CZ3 4.06Å; W71-W91 HydrophobicContact CZ2-CH2 4.44Å; W71-W91 AromaticContact CZ2-CZ3 3.89Å; W71-W91 HydrophobicContact CZ2-CZ3 3.89Å; W71-M96 HydrophobicContact CH2-SD 4.33Å; W71-M96 HydrophobicContact CZ2-SD 4.2Å
72I90.6Very high93.6Very high116 Ų11633.9 Ų33.960%0.59518%0.18SC*.THydrogen-bonded Turntrans-100.9-46.1174.8-59.8171.9000108.7T69 P70 C74T69-I72 PolarHBondContact O-N 3.4Å; T69-I72 VanDerWaalsContact O-N 3.11Å; P70-I72 VanDerWaalsContact C-N 3.34Å; I72-C74 PolarHBondContact O-N 2.9Å
73N91.1Very high93.8Very high78 Ų7833.2 Ų33.242%0.41718%0.176SC..SBendtrans-97.269.5176.5-66.6-51.4000109.9C67 T69 P70 L75 T76C67-N73 HydrophobicContact CB-CB 4.39Å; T69-N73 PolarHBondContact O-N 2.92Å; T69-N73 PolarHBondContact OG1-ND2 2.97Å; P70-N73 CarbonylContact O-C 3.55Å; N73-L75 PolarHBondContact O-N 3.09Å; N73-T76 WeakPolarHBondContact O-CG2 3.15Å
74C92.8Very high94Very high0 Ų034.8 Ų34.80%018%0.184CC..  trans-68.4-15.6-174.9-66.20000114.3V19 V22 W23 I26 P70 W71 I72 T76 M79V19-C74 HydrophobicContact CG1-CB 4.35Å; V22-C74 HydrophobicContact CB-CB 4.45Å; V22-C74 HydrophobicContact CG1-CB 3.99Å; W23-C74 VanDerWaalsContact CZ3-O 3.29Å; W23-C74 WeakPolarHBondContact CZ3-O 2.95Å; I26-C74 HydrophobicContact CD1-CB 4.42Å; P70-C74 WeakPolarHBondContact O-CA 3.47Å; P70-C74 PolarHBondContact O-N 2.81Å; P70-C74 PolarHBondContact O-SG 2.6Å; W71-C74 PolarHBondContact O-SG 3.41Å; I72-C74 PolarHBondContact O-N 2.9Å; C74-T76 PolarHBondContact O-N 3.3Å; C74-M79 HydrophobicContact CB-CG 4.49Å; C74-M79 WeakPolarHBondContact O-CB 3.4Å
75L93.8Very high94Very high19 Ų1934.3 Ų34.310%0.09918%0.177CC..  trans-74.568.3-179.6-16767.7000112.1W23 I26 I27 L63 N73W23-L75 HydrophobicContact CD2-CD1 3.95Å; W23-L75 HydrophobicContact CE3-CD1 4.22Å; W23-L75 HydrophobicContact CH2-CD1 3.9Å; W23-L75 HydrophobicContact CZ2-CD1 3.61Å; W23-L75 HydrophobicContact CZ3-CD1 4.2Å; I26-L75 HydrophobicContact CG2-CB 4.08Å; I26-L75 HydrophobicContact CG2-CD2 4.07Å; I27-L75 HydrophobicContact CD1-CD1 4Å; I27-L75 HydrophobicContact CG1-CD1 3.91Å; L63-L75 HydrophobicContact CD2-CD1 3.83Å; L63-L75 HydrophobicContact CD2-CG 3.94Å; N73-L75 PolarHBondContact O-N 3.09Å
76T96Very high93.9Very high1 Ų135 Ų351%0.00618%0.183CC..BIsolated β-bridgetrans-142154.2-178.764.30000110.9L64 C67 N73 C74 Q78 M79 Q80L64-T76 HydrophobicContact CB-CG2 4.1Å; L64-T76 CarbonylContact O-C 3.6Å; L64-T76 WeakPolarHBondContact O-CA 3.47Å; L64-T76 WeakPolarHBondContact O-CB 3.33Å; C67-T76 HydrophobicContact CB-CG2 3.91Å; N73-T76 WeakPolarHBondContact O-CG2 3.15Å; C74-T76 PolarHBondContact O-N 3.3Å; T76-Q78 VanDerWaalsContact C-N 3.25Å; T76-Q78 PolarHBondContact O-N 2.73Å; T76-M79 PolarHBondContact O-N 3Å; T76-M79 VanDerWaalsContact O-N 3.16Å; T76-M79 PolarHBondContact OG1-N 3.38Å; T76-Q80 PolarHBondContact O-N 3.05Å
77L96.8Very high93.9Very high0 Ų043.7 Ų43.70%021%0.211CC..Hα-helixtrans-59.6-37.5173.3-179.563.2000111.7L45 I57 K59 L64 M79 Q80 L81 I111 I113L45-L77 HydrophobicContact CD1-CD1 4.03Å; I57-L77 HydrophobicContact CD1-CD1 4.47Å; I57-L77 HydrophobicContact CG2-CD1 4.13Å; K59-L77 HydrophobicContact CD-CD2 4.17Å; K59-L77 HydrophobicContact CG-CD2 4.06Å; L64-L77 PolarHBondContact O-N 3.41Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.88Å; L77-Q80 PolarHBondContact O-N 3.25Å; L77-L81 VanDerWaalsContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 PolarHBondContact O-N 2.71Å; L77-I111 HydrophobicContact CD2-CD1 4.18Å; L77-I111 HydrophobicContact CD2-CG2 3.65Å; L77-I113 HydrophobicContact CD2-CD1 3.64Å; L77-I113 HydrophobicContact CG-CD1 4.18Å
78Q96.4Very high94.1Very high1 Ų145.2 Ų45.21%0.00521%0.214CC..Hα-helixtrans-52.2-47.3173.6174.6-175.9-2.700112I65 N66 T76 L81 F82 N95 M96 F97 F99I65-Q78 WeakPolarHBondContact O-CB 3.37Å; I65-Q78 PolarHBondContact O-N 2.89Å; N66-Q78 HydrophobicContact CB-CB 4.18Å; N66-Q78 VanDerWaalsContact CB-OE1 3.23Å; T76-Q78 VanDerWaalsContact C-N 3.25Å; T76-Q78 PolarHBondContact O-N 2.73Å; Q78-L81 PolarHBondContact O-N 3.2Å; Q78-F82 WeakPolarHBondContact O-CB 3.42Å; Q78-F82 PolarHBondContact O-N 3.07Å; Q78-N95 VanDerWaalsContact NE2-C 3.32Å; Q78-N95 PolarHBondContact NE2-O 2.84Å; Q78-M96 HydrophobicContact CG-CE 3.54Å; Q78-F97 HydrophobicContact CG-CD2 4.49Å; Q78-F99 HydrophobicContact CB-CE2 4.29Å; Q78-F99 HydrophobicContact CB-CZ 3.86Å; Q78-F99 HydrophobicContact CG-CE2 4.44Å; Q78-F99 HydrophobicContact CG-CZ 4.42Å
79M96.5Very high94.3Very high0 Ų040.7 Ų40.70%019%0.186CC..Hα-helixtrans-78.5-33.2-177.7-75-65.6159.800112.4V19 P70 W71 C74 T76 L77 L81 F82 Y83 M96V19-M79 HydrophobicContact CG1-CB 4.24Å; V19-M79 HydrophobicContact CG2-SD 4.07Å; P70-M79 HydrophobicContact CB-CE 3.37Å; P70-M79 HydrophobicContact CB-CG 4.22Å; P70-M79 HydrophobicContact CG-CE 3.61Å; P70-M79 WeakPolarHBondContact O-CG 3.29Å; W71-M79 HydrophobicContact CD2-CE 3.89Å; W71-M79 HydrophobicContact CE3-CE 3.95Å; W71-M79 HydrophobicContact CE3-SD 4.36Å; W71-M79 HydrophobicContact CG-CE 4.45Å; W71-M79 HydrophobicContact CH2-CE 4.19Å; W71-M79 HydrophobicContact CZ2-CE 4.13Å; W71-M79 HydrophobicContact CZ3-CE 4.11Å; W71-M79 HydrophobicContact CZ3-SD 4.29Å; C74-M79 HydrophobicContact CB-CG 4.49Å; C74-M79 WeakPolarHBondContact O-CB 3.4Å; T76-M79 PolarHBondContact O-N 3Å; T76-M79 VanDerWaalsContact O-N 3.16Å; T76-M79 PolarHBondContact OG1-N 3.38Å; L77-M79 VanDerWaalsContact C-N 3.29Å; L77-M79 PolarHBondContact O-N 2.88Å; M79-L81 VanDerWaalsContact C-N 3.32Å; M79-L81 PolarHBondContact O-N 2.93Å; M79-F82 PolarHBondContact O-N 2.72Å; M79-F82 HydrophobicContact SD-CB 4.48Å; M79-F82 HydrophobicContact SD-CD1 4.39Å; M79-Y83 WeakPolarHBondContact O-CB 3.39Å; M79-Y83 PolarHBondContact O-N 2.82Å; M79-M96 HydrophobicContact CE-CE 3.35Å; M79-M96 HydrophobicContact SD-CE 3.93Å
80Q97Very high94.4Very high5 Ų539.5 Ų39.52%0.02318%0.177CC..Hα-helixtrans-59.6-44.4169-160.3-175.726.200111.2W23 I42 D44 L45 T76 L77 Y83 N84W23-Q80 HydrophobicContact CH2-CB 3.95Å; W23-Q80 HydrophobicContact CH2-CG 4.12Å; W23-Q80 HydrophobicContact CZ3-CB 4.04Å; I42-Q80 HydrophobicContact CG1-CG 4.35Å; I42-Q80 WeakPolarHBondContact O-CG 3.22Å; I42-Q80 PolarHBondContact O-NE2 2.95Å; D44-Q80 VanDerWaalsContact C-NE2 3.32Å; D44-Q80 PolarHBondContact O-NE2 3.42Å; L45-Q80 HydrophobicContact CD1-CG 4.3Å; T76-Q80 PolarHBondContact O-N 3.05Å; L77-Q80 PolarHBondContact O-N 3.25Å; Q80-Y83 PolarHBondContact O-N 2.75Å; Q80-N84 PolarHBondContact O-N 3.41Å; Q80-N84 VanDerWaalsContact O-N 3.11Å; Q80-N84 PolarHBondContact O-ND2 3.07Å
81L96.5Very high94.4Very high0 Ų045.4 Ų45.40%020%0.198CC..Hα-helixtrans-68.2-43.2177.9-173.462.1000111.7L45 L55 I57 L77 Q78 M79 Y83 N84 R85 F97 I113L45-L81 HydrophobicContact CD2-CD1 3.81Å; L55-L81 HydrophobicContact CD1-CD1 4.46Å; L55-L81 HydrophobicContact CD2-CD1 4.16Å; I57-L81 HydrophobicContact CD1-CD1 4.15Å; L77-L81 VanDerWaalsContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 PolarHBondContact O-N 2.71Å; Q78-L81 PolarHBondContact O-N 3.2Å; M79-L81 VanDerWaalsContact C-N 3.32Å; M79-L81 PolarHBondContact O-N 2.93Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 2.9Å; L81-N84 PolarHBondContact O-N 3.22Å; L81-R85 HydrophobicContact CD1-CB 4.01Å; L81-R85 HydrophobicContact CD1-CG 4.04Å; L81-R85 CarbonylContact O-C 3.6Å; L81-R85 WeakPolarHBondContact O-CA 3.3Å; L81-R85 PolarHBondContact O-N 2.84Å; L81-F97 HydrophobicContact CB-CE2 3.99Å; L81-F97 HydrophobicContact CB-CZ 4.06Å; L81-F97 HydrophobicContact CD2-CB 4.44Å; L81-F97 HydrophobicContact CD2-CD1 3.59Å; L81-F97 HydrophobicContact CD2-CD2 3.8Å; L81-F97 HydrophobicContact CD2-CE1 3.63Å; L81-F97 HydrophobicContact CD2-CE2 3.85Å; L81-F97 HydrophobicContact CD2-CG 3.67Å; L81-F97 HydrophobicContact CD2-CZ 3.77Å; L81-F97 HydrophobicContact CG-CD1 4.25Å; L81-F97 HydrophobicContact CG-CD2 4.37Å; L81-F97 HydrophobicContact CG-CE1 3.76Å; L81-F97 HydrophobicContact CG-CE2 3.89Å; L81-F97 HydrophobicContact CG-CZ 3.56Å; L81-I113 HydrophobicContact CD2-CD1 4.24Å; L81-I113 HydrophobicContact CD2-CG2 4.03Å
82F96.3Very high94.4Very high0 Ų050.7 Ų50.70%022%0.223CC..Hα-helixtrans-53.5-47.9172.1168-96.8000111.7L15 R16 V19 W71 Q78 M79 N84 P86 V89 W91 M96 F97L15-F82 HydrophobicContact CB-CE1 4.06Å; L15-F82 HydrophobicContact CB-CZ 3.7Å; L15-F82 HydrophobicContact CD1-CZ 4.3Å; R16-F82 HydrophobicContact CG-CE1 4.19Å; V19-F82 HydrophobicContact CG2-CD1 4.05Å; V19-F82 HydrophobicContact CG2-CE1 3.99Å; W71-F82 HydrophobicContact CH2-CE1 4.35Å; W71-F82 HydrophobicContact CH2-CE2 4.28Å; W71-F82 HydrophobicContact CH2-CZ 4.15Å; W71-F82 HydrophobicContact CZ3-CE1 4.23Å; W71-F82 HydrophobicContact CZ3-CZ 4.4Å; Q78-F82 WeakPolarHBondContact O-CB 3.42Å; Q78-F82 PolarHBondContact O-N 3.07Å; M79-F82 PolarHBondContact O-N 2.72Å; M79-F82 HydrophobicContact SD-CB 4.48Å; M79-F82 HydrophobicContact SD-CD1 4.39Å; F82-N84 PolarHBondContact O-N 2.83Å; F82-P86 WeakPolarHBondContact O-CA 3.49Å; F82-P86 WeakPolarHBondContact O-CB 3.13Å; F82-P86 WeakPolarHBondContact O-CD 3.5Å; F82-V89 HydrophobicContact CD2-CG1 4.47Å; F82-V89 HydrophobicContact CD2-CG2 3.56Å; F82-V89 HydrophobicContact CE2-CG2 4.21Å; F82-W91 HydrophobicContact CD2-CH2 4.3Å; F82-W91 AromaticContact CE2-CH2 3.47Å; F82-W91 HydrophobicContact CE2-CH2 3.47Å; F82-W91 VanDerWaalsContact CE2-CH2 3.47Å; F82-W91 AromaticContact CE2-CZ2 3.79Å; F82-W91 HydrophobicContact CE2-CZ2 3.79Å; F82-W91 HydrophobicContact CZ-CH2 4.16Å; F82-M96 HydrophobicContact CB-CE 3.72Å; F82-M96 HydrophobicContact CB-SD 4.24Å; F82-M96 HydrophobicContact CD2-CE 4.17Å; F82-M96 HydrophobicContact CD2-SD 3.6Å; F82-M96 VanDerWaalsContact CD2-SD 3.6Å; F82-M96 HydrophobicContact CE2-SD 4.36Å; F82-M96 HydrophobicContact CG-CE 4.08Å; F82-M96 HydrophobicContact CG-SD 4.12Å; F82-F97 HydrophobicContact CB-CE2 4.37Å
83Y96.5Very high94.4Very high29 Ų2947.5 Ų47.511%0.11421%0.207CC..Hα-helixtrans-64.6-42-177.6179.9-85.1000112.8R16 L20 I42 N43 M79 Q80 L81R16-Y83 HydrophobicContact CB-CD2 3.96Å; R16-Y83 HydrophobicContact CB-CE2 4.05Å; R16-Y83 HydrophobicContact CG-CD2 4.33Å; R16-Y83 PolarHBondContact NE-O 3.42Å; R16-Y83 PolarHBondContact NH2-O 2.93Å; R16-Y83 WeakPolarHBondContact O-CD2 3.34Å; R16-Y83 WeakPolarHBondContact O-CE2 3.45Å; L20-Y83 HydrophobicContact CB-CE2 3.84Å; L20-Y83 HydrophobicContact CD1-CE2 4.46Å; I42-Y83 HydrophobicContact CD1-CD1 4.21Å; I42-Y83 HydrophobicContact CD1-CD2 3.83Å; I42-Y83 HydrophobicContact CD1-CG 3.6Å; I42-Y83 HydrophobicContact CG1-CD1 4.04Å; I42-Y83 HydrophobicContact CG1-CG 3.92Å; I42-Y83 HydrophobicContact CG2-CD1 4.07Å; I42-Y83 HydrophobicContact CG2-CE1 3.99Å; I42-Y83 HydrophobicContact CG2-CG 4.41Å; N43-Y83 WeakPolarHBondContact OD1-CE1 3.44Å; M79-Y83 WeakPolarHBondContact O-CB 3.39Å; M79-Y83 PolarHBondContact O-N 2.82Å; Q80-Y83 PolarHBondContact O-N 2.75Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 2.9Å
84N96.8Very high94.3Very high32 Ų3251.6 Ų51.617%0.17122%0.222CC..Hα-helixtrans-89.2-27.2-174.3-73.2-76.3000114.1I42 L45 Q80 L81 F82I42-N84 PolarHBondContact O-ND2 2.7Å; L45-N84 HydrophobicContact CB-CB 4.28Å; L45-N84 HydrophobicContact CD2-CB 3.73Å; Q80-N84 PolarHBondContact O-N 3.41Å; Q80-N84 VanDerWaalsContact O-N 3.11Å; Q80-N84 PolarHBondContact O-ND2 3.07Å; L81-N84 PolarHBondContact O-N 3.22Å; F82-N84 PolarHBondContact O-N 2.83Å
85R95.5Very high94.3Very high72 Ų7254 Ų5427%0.27223%0.234SC..  trans-135.658.6-177.1-61.4-62.1-174.9-78.2-7.3111.6L45 E50 L81 R87 Y88L45-R85 HydrophobicContact CD2-CG 4.35Å; E50-R85 VanDerWaalsContact CD-NE 3.35Å; E50-R85 VanDerWaalsContact OE1-CD 3.26Å; E50-R85 WeakPolarHBondContact OE1-CD 3.31Å; E50-R85 IonicContact OE1-CZ 3.47Å; E50-R85 IonicContact OE1-NE 3.81Å; E50-R85 PolarHBondContact OE1-NE 3.5Å; E50-R85 IonicContact OE1-NH2 2.95Å; E50-R85 IonicContact OE2-CZ 2.83Å; E50-R85 IonicContact OE2-NE 3.3Å; E50-R85 PolarHBondContact OE2-NE 3.02Å; E50-R85 VanDerWaalsContact OE2-NE 3.16Å; E50-R85 IonicContact OE2-NH2 3.83Å; E50-R85 PolarHBondContact OE2-NH2 2.93Å; L81-R85 HydrophobicContact CD1-CB 4.01Å; L81-R85 HydrophobicContact CD1-CG 4.04Å; L81-R85 CarbonylContact O-C 3.6Å; L81-R85 WeakPolarHBondContact O-CA 3.3Å; L81-R85 PolarHBondContact O-N 2.84Å; R85-R87 PolarHBondContact O-N 2.82Å; R85-R87 VanDerWaalsContact O-N 3.12Å; R85-Y88 HydrophobicContact CB-CD2 3.67Å; R85-Y88 HydrophobicContact CB-CE2 4.21Å; R85-Y88 HydrophobicContact CB-CG 4.38Å; R85-Y88 HydrophobicContact CG-CD2 4.1Å; R85-Y88 HydrophobicContact CG-CE2 4.19Å; R85-Y88 PolarHBondContact O-N 2.94Å; R85-Y88 VanDerWaalsContact O-N 3.13Å
86P93.8Very high94.3Very high33 Ų3353.3 Ų53.321%0.21423%0.231CC..G310 helixtrans-61.9-24.4-17826.1-36.1000113.3V12 F82 Y88 V89V12-P86 HydrophobicContact CG1-CB 3.59Å; V12-P86 HydrophobicContact CG1-CG 4.31Å; F82-P86 WeakPolarHBondContact O-CA 3.49Å; F82-P86 WeakPolarHBondContact O-CB 3.13Å; F82-P86 WeakPolarHBondContact O-CD 3.5Å; P86-Y88 PolarHBondContact O-N 3.29Å; P86-V89 VanDerWaalsContact O-CB 3.27Å; P86-V89 WeakPolarHBondContact O-CB 3.06Å; P86-V89 VanDerWaalsContact O-CG2 3.24Å; P86-V89 WeakPolarHBondContact O-CG2 3.04Å; P86-V89 PolarHBondContact O-N 3.36Å
87R92.7Very high94.3Very high238 Ų23853.6 Ų53.690%0.89823%0.232SC*.G310 helixtrans-63.8-23.8177.9-65.9-177.4178166.7-0.9113.7R85 V89R85-R87 PolarHBondContact O-N 2.82Å; R85-R87 VanDerWaalsContact O-N 3.12Å; R87-V89 VanDerWaalsContact C-N 3.33Å
88Y93.9Very high94.3Very high56 Ų5654.8 Ų54.822%0.2224%0.237CC..G310 helixtrans-90.71.3-179.4-64.7-22.2000113.4E50 L55 R85 P86 N90 F97 Y115E50-Y88 HydrophobicContact CG-CE2 4.11Å; E50-Y88 WeakPolarHBondContact OE1-CE2 3.47Å; E50-Y88 PolarHBondContact OE1-OH 3.27Å; L55-Y88 HydrophobicContact CD1-CD2 4.04Å; L55-Y88 HydrophobicContact CD1-CE2 4.41Å; L55-Y88 HydrophobicContact CD2-CD2 4.3Å; L55-Y88 HydrophobicContact CD2-CE2 4.12Å; R85-Y88 HydrophobicContact CB-CD2 3.67Å; R85-Y88 HydrophobicContact CB-CE2 4.21Å; R85-Y88 HydrophobicContact CB-CG 4.38Å; R85-Y88 HydrophobicContact CG-CD2 4.1Å; R85-Y88 HydrophobicContact CG-CE2 4.19Å; R85-Y88 PolarHBondContact O-N 2.94Å; R85-Y88 VanDerWaalsContact O-N 3.13Å; P86-Y88 PolarHBondContact O-N 3.29Å; Y88-N90 PolarHBondContact O-N 2.98Å; Y88-F97 WeakPolarHBondContact O-CE1 3.19Å; Y88-Y115 HydrophobicContact CD1-CD1 4.38Å; Y88-Y115 AromaticContact CD1-CD2 3.77Å; Y88-Y115 HydrophobicContact CD1-CD2 3.77Å; Y88-Y115 AromaticContact CD1-CE2 3.99Å; Y88-Y115 HydrophobicContact CD1-CE2 3.99Å; Y88-Y115 AromaticContact CD1-CG 3.97Å; Y88-Y115 HydrophobicContact CD1-CG 3.97Å; Y88-Y115 HydrophobicContact CD2-CD1 4.05Å; Y88-Y115 HydrophobicContact CD2-CE1 4.38Å; Y88-Y115 HydrophobicContact CD2-CG 4.26Å; Y88-Y115 HydrophobicContact CE1-CD2 4.19Å; Y88-Y115 HydrophobicContact CE1-CE1 4.38Å; Y88-Y115 AromaticContact CE1-CE2 3.93Å; Y88-Y115 HydrophobicContact CE1-CE2 3.93Å; Y88-Y115 HydrophobicContact CE2-CD1 4.3Å; Y88-Y115 HydrophobicContact CE2-CE1 4.18Å; Y88-Y115 HydrophobicContact CG-CD1 4.1Å; Y88-Y115 HydrophobicContact CG-CD2 4.13Å; Y88-Y115 AromaticContact CG-CG 3.83Å; Y88-Y115 HydrophobicContact CG-CG 3.83Å
89V93.6Very high94.3Very high17 Ų1755.7 Ų55.710%0.10324%0.241CC..  trans-74.8121.9-177.9173.50000109.7F82 P86 R87 W91 M96 F97F82-V89 HydrophobicContact CD2-CG1 4.47Å; F82-V89 HydrophobicContact CD2-CG2 3.56Å; F82-V89 HydrophobicContact CE2-CG2 4.21Å; P86-V89 VanDerWaalsContact O-CB 3.27Å; P86-V89 WeakPolarHBondContact O-CB 3.06Å; P86-V89 VanDerWaalsContact O-CG2 3.24Å; P86-V89 WeakPolarHBondContact O-CG2 3.04Å; P86-V89 PolarHBondContact O-N 3.36Å; R87-V89 VanDerWaalsContact C-N 3.33Å; V89-W91 HydrophobicContact CG1-CD2 3.65Å; V89-W91 VanDerWaalsContact CG1-CE2 3.44Å; V89-W91 HydrophobicContact CG1-CE3 4.09Å; V89-W91 HydrophobicContact CG1-CG 4.11Å; V89-W91 HydrophobicContact CG1-CH2 4.18Å; V89-W91 HydrophobicContact CG1-CZ2 3.73Å; V89-W91 HydrophobicContact CG1-CZ3 4.34Å; V89-M96 HydrophobicContact CG1-CB 3.93Å; V89-M96 HydrophobicContact CG1-CG 3.9Å; V89-M96 HydrophobicContact CG1-SD 3.95Å; V89-F97 HydrophobicContact CG2-CE1 4.08Å; V89-F97 HydrophobicContact CG2-CE2 4.34Å; V89-F97 HydrophobicContact CG2-CZ 3.58Å
90N93.1Very high94.2Very high35 Ų3556.2 Ų56.219%0.18724%0.244CC..  trans-100.5100.9168-173.8-17.2000109.8Y88 K92 L93 M96Y88-N90 PolarHBondContact O-N 2.98Å; N90-K92 PolarHBondContact O-N 3.14Å; N90-K92 VanDerWaalsContact O-N 3.14Å; N90-K92 WeakPolarHBondContact OD1-CB 3.31Å; N90-K92 PolarHBondContact OD1-N 2.87Å; N90-K92 VanDerWaalsContact OD1-N 3.09Å; N90-L93 HydrophobicContact CB-CD1 3.82Å; N90-L93 HydrophobicContact CB-CG 3.98Å; N90-L93 WeakPolarHBondContact O-CB 3.38Å; N90-L93 PolarHBondContact O-N 3.4Å; N90-M96 PolarHBondContact N-O 2.97Å
91W91.3Very high94.1Very high135 Ų13557.1 Ų57.151%0.51125%0.249SC..THydrogen-bonded Turntrans-63.5-15.7-178.8-61.7103.9000114.6V12 L15 W71 F82 V89 L93 M96V12-W91 HydrophobicContact CG2-CZ2 4.1Å; L15-W91 HydrophobicContact CD1-CH2 3.82Å; W71-W91 HydrophobicContact CH2-CH2 4.15Å; W71-W91 HydrophobicContact CH2-CZ3 4.06Å; W71-W91 HydrophobicContact CZ2-CH2 4.44Å; W71-W91 AromaticContact CZ2-CZ3 3.89Å; W71-W91 HydrophobicContact CZ2-CZ3 3.89Å; F82-W91 HydrophobicContact CD2-CH2 4.3Å; F82-W91 AromaticContact CE2-CH2 3.47Å; F82-W91 HydrophobicContact CE2-CH2 3.47Å; F82-W91 VanDerWaalsContact CE2-CH2 3.47Å; F82-W91 AromaticContact CE2-CZ2 3.79Å; F82-W91 HydrophobicContact CE2-CZ2 3.79Å; F82-W91 HydrophobicContact CZ-CH2 4.16Å; V89-W91 HydrophobicContact CG1-CD2 3.65Å; V89-W91 VanDerWaalsContact CG1-CE2 3.44Å; V89-W91 HydrophobicContact CG1-CE3 4.09Å; V89-W91 HydrophobicContact CG1-CG 4.11Å; V89-W91 HydrophobicContact CG1-CH2 4.18Å; V89-W91 HydrophobicContact CG1-CZ2 3.73Å; V89-W91 HydrophobicContact CG1-CZ3 4.34Å; W91-L93 VanDerWaalsContact C-N 3.26Å; W91-M96 HydrophobicContact CZ3-SD 4.3Å
92K91.6Very high94Very high197 Ų19765.1 Ų65.186%0.85728%0.279SS*.THydrogen-bonded Turntrans-74.6-20.3173.1-58.2-178.9179.6178.40112.1N90N90-K92 PolarHBondContact O-N 3.14Å; N90-K92 VanDerWaalsContact O-N 3.14Å; N90-K92 WeakPolarHBondContact OD1-CB 3.31Å; N90-K92 PolarHBondContact OD1-N 2.87Å; N90-K92 VanDerWaalsContact OD1-N 3.09Å
93L91.4Very high93.9Very high49 Ų4965.8 Ų65.826%0.25728%0.282SS..SBendtrans-89.1132.6178.7-57.8177.3000110.3N90 W91 N95 M96 H98N90-L93 HydrophobicContact CB-CD1 3.82Å; N90-L93 HydrophobicContact CB-CG 3.98Å; N90-L93 WeakPolarHBondContact O-CB 3.38Å; N90-L93 PolarHBondContact O-N 3.4Å; W91-L93 VanDerWaalsContact C-N 3.26Å; L93-N95 PolarHBondContact O-N 3.25Å; L93-N95 VanDerWaalsContact O-N 3.09Å; L93-M96 PolarHBondContact O-N 3.45Å; L93-H98 VanDerWaalsContact CD1-CE1 3.48Å; L93-H98 WeakPolarHBondContact CD1-CE1 3.42Å; L93-H98 WeakPolarHBondContact CD1-NE2 3.34Å
94K89.2Confident93.8Very high165 Ų16566.1 Ų66.172%0.71729%0.286SS*.THydrogen-bonded Turntrans-51.6-36.6173.4-176.8175-178.9172.70113.4
95N92Very high93.6Very high49 Ų4966.6 Ų66.626%0.26229%0.292SS..THydrogen-bonded Turntrans-103.412.8-177.1-64.1-21.1000113.4N66 Q78 L93 F97 F99N66-N95 PolarHBondContact ND2-ND2 2.7Å; Q78-N95 VanDerWaalsContact NE2-C 3.32Å; Q78-N95 PolarHBondContact NE2-O 2.84Å; L93-N95 PolarHBondContact O-N 3.25Å; L93-N95 VanDerWaalsContact O-N 3.09Å; N95-F97 PolarHBondContact O-N 2.73Å; N95-F99 HydrophobicContact CB-CD2 3.97Å; N95-F99 HydrophobicContact CB-CE2 3.92Å
96M93.8Very high93.4Very high6 Ų665 Ų653%0.0329%0.291CS..SBendtrans63.2-26.8-177.8-63.1-175.1-68.500116.6W71 Q78 M79 F82 V89 N90 W91 L93W71-M96 HydrophobicContact CH2-SD 4.33Å; W71-M96 HydrophobicContact CZ2-SD 4.2Å; Q78-M96 HydrophobicContact CG-CE 3.54Å; M79-M96 HydrophobicContact CE-CE 3.35Å; M79-M96 HydrophobicContact SD-CE 3.93Å; F82-M96 HydrophobicContact CB-CE 3.72Å; F82-M96 HydrophobicContact CB-SD 4.24Å; F82-M96 HydrophobicContact CD2-CE 4.17Å; F82-M96 HydrophobicContact CD2-SD 3.6Å; F82-M96 VanDerWaalsContact CD2-SD 3.6Å; F82-M96 HydrophobicContact CE2-SD 4.36Å; F82-M96 HydrophobicContact CG-CE 4.08Å; F82-M96 HydrophobicContact CG-SD 4.12Å; V89-M96 HydrophobicContact CG1-CB 3.93Å; V89-M96 HydrophobicContact CG1-CG 3.9Å; V89-M96 HydrophobicContact CG1-SD 3.95Å; N90-M96 PolarHBondContact N-O 2.97Å; W91-M96 HydrophobicContact CZ3-SD 4.3Å; L93-M96 PolarHBondContact O-N 3.45Å
97F96Very high93.5Very high6 Ų663.6 Ų63.63%0.02628%0.281CS..SBendtrans-135.1161.4-176.1-53.3-83.2000110.9Q78 L81 F82 Y88 V89 N95 F99 I113Q78-F97 HydrophobicContact CG-CD2 4.49Å; L81-F97 HydrophobicContact CB-CE2 3.99Å; L81-F97 HydrophobicContact CB-CZ 4.06Å; L81-F97 HydrophobicContact CD2-CB 4.44Å; L81-F97 HydrophobicContact CD2-CD1 3.59Å; L81-F97 HydrophobicContact CD2-CD2 3.8Å; L81-F97 HydrophobicContact CD2-CE1 3.63Å; L81-F97 HydrophobicContact CD2-CE2 3.85Å; L81-F97 HydrophobicContact CD2-CG 3.67Å; L81-F97 HydrophobicContact CD2-CZ 3.77Å; L81-F97 HydrophobicContact CG-CD1 4.25Å; L81-F97 HydrophobicContact CG-CD2 4.37Å; L81-F97 HydrophobicContact CG-CE1 3.76Å; L81-F97 HydrophobicContact CG-CE2 3.89Å; L81-F97 HydrophobicContact CG-CZ 3.56Å; F82-F97 HydrophobicContact CB-CE2 4.37Å; Y88-F97 WeakPolarHBondContact O-CE1 3.19Å; V89-F97 HydrophobicContact CG2-CE1 4.08Å; V89-F97 HydrophobicContact CG2-CE2 4.34Å; V89-F97 HydrophobicContact CG2-CZ 3.58Å; N95-F97 PolarHBondContact O-N 2.73Å; F97-F99 HydrophobicContact CB-CE2 4.19Å; F97-F99 PolarHBondContact O-N 3.2Å; F97-I113 HydrophobicContact CB-CG2 3.76Å; F97-I113 HydrophobicContact CG-CG2 4.46Å
98H96Very high93.6Very high25 Ų2552.2 Ų52.212%0.11624%0.238CC..EExtended strand (participates in β ladder)trans-87.492.8173.4-61.5-80.1000110.5L93 V100 A114 T117 A120L93-H98 VanDerWaalsContact CD1-CE1 3.48Å; L93-H98 WeakPolarHBondContact CD1-CE1 3.42Å; L93-H98 WeakPolarHBondContact CD1-NE2 3.34Å; H98-V100 HydrophobicContact CB-CG1 4.42Å; H98-V100 PolarHBondContact O-N 3.47Å; H98-A114 WeakPolarHBondContact CA-O 3.42Å; H98-A114 HydrophobicContact CB-CB 3.98Å; H98-A114 WeakPolarHBondContact CB-O 3.47Å; H98-A114 PolarHBondContact N-O 3.21Å; H98-A114 PolarHBondContact O-N 3.46Å; H98-T117 WeakPolarHBondContact NE2-CG2 3.37Å; H98-A120 HydrophobicContact CB-CB 3.46Å; H98-A120 VanDerWaalsContact CB-CB 3.46Å; H98-A120 VanDerWaalsContact CG-CB 3.48Å
99F96Very high93.6Very high20 Ų2049.6 Ų49.69%0.08823%0.228CC..EExtended strand (participates in β ladder)trans-71.597166.7-64.8-81.7000109.3I65 N66 Q78 N95 F97 I113 R124I65-F99 HydrophobicContact CG2-CD1 3.13Å; I65-F99 HydrophobicContact CG2-CE1 3.16Å; I65-F99 HydrophobicContact CG2-CG 3.92Å; I65-F99 HydrophobicContact CG2-CZ 3.97Å; N66-F99 HydrophobicContact CB-CE2 4.22Å; N66-F99 HydrophobicContact CB-CZ 4.42Å; Q78-F99 HydrophobicContact CB-CE2 4.29Å; Q78-F99 HydrophobicContact CB-CZ 3.86Å; Q78-F99 HydrophobicContact CG-CE2 4.44Å; Q78-F99 HydrophobicContact CG-CZ 4.42Å; N95-F99 HydrophobicContact CB-CD2 3.97Å; N95-F99 HydrophobicContact CB-CE2 3.92Å; F97-F99 HydrophobicContact CB-CE2 4.19Å; F97-F99 PolarHBondContact O-N 3.2Å; F99-I113 HydrophobicContact CD1-CD1 3.95Å; F99-I113 HydrophobicContact CD1-CG1 3.94Å; F99-I113 HydrophobicContact CD1-CG2 4.43Å; F99-I113 HydrophobicContact CE1-CD1 3.48Å; F99-I113 VanDerWaalsContact CE1-CD1 3.48Å; F99-I113 HydrophobicContact CE1-CG1 4Å; F99-I113 HydrophobicContact CE1-CG2 4.41Å; F99-I113 HydrophobicContact CZ-CD1 4.39Å; F99-R124 PolarHBondContact O-NH1 2.98Å; F99-R124 PolarHBondContact O-NH2 2.83Å
100V95Very high93.7Very high11 Ų1148.9 Ų48.97%0.06722%0.224CC..  trans-78.8-28.2-173.3-65.10000112.7H98 C112 A114 A120 I123 R124 F127H98-V100 HydrophobicContact CB-CG1 4.42Å; H98-V100 PolarHBondContact O-N 3.47Å; V100-C112 HydrophobicContact CG2-CB 4.22Å; V100-C112 WeakPolarHBondContact CG2-O 3.34Å; V100-A114 HydrophobicContact CG1-CB 3.98Å; V100-A120 HydrophobicContact CG1-CB 4.13Å; V100-I123 HydrophobicContact CB-CB 4.38Å; V100-I123 HydrophobicContact CB-CG2 3.95Å; V100-I123 HydrophobicContact CG1-CB 4.27Å; V100-I123 HydrophobicContact CG1-CG2 4.34Å; V100-I123 HydrophobicContact CG2-CB 4.28Å; V100-I123 HydrophobicContact CG2-CG2 3.48Å; V100-I123 VanDerWaalsContact CG2-CG2 3.48Å; V100-R124 HydrophobicContact CB-CG 3.97Å; V100-R124 HydrophobicContact CG1-CG 3.98Å; V100-F127 HydrophobicContact CG2-CE2 4.22Å
101H95Very high93.9Very high25 Ų2547.2 Ų47.212%0.11622%0.215CC..SBendtrans-138.1-172.7168.374.799.6000110.7C112 F127H101-C112 PolarHBondContact NE2-N 2.9Å; H101-F127 HydrophobicContact CB-CD1 4.07Å; H101-F127 HydrophobicContact CB-CD2 4.13Å; H101-F127 HydrophobicContact CB-CE1 3.83Å; H101-F127 HydrophobicContact CB-CE2 3.92Å; H101-F127 HydrophobicContact CB-CG 4.23Å; H101-F127 HydrophobicContact CB-CZ 3.77Å; H101-F127 AromaticContact CD2-CE2 3.48Å; H101-F127 VanDerWaalsContact CD2-CE2 3.48Å; H101-F127 WeakPolarHBondContact CD2-CE2 3.36Å; H101-F127 AromaticContact CD2-CZ 3.22Å; H101-F127 WeakPolarHBondContact CD2-CZ 3.39Å; H101-F127 AromaticContact CG-CE1 3.84Å; H101-F127 AromaticContact CG-CE2 3.92Å; H101-F127 AromaticContact CG-CZ 3.48Å; H101-F127 VanDerWaalsContact CG-CZ 3.48Å; H101-F127 AromaticContact NE2-CZ 3.81Å
102R94Very high94.2Very high168 Ų16840.8 Ų40.863%0.63419%0.19SC*.  trans-125.8158.8178.1-59.4-174.9-62.6159.13110.7I65I65-R102 HydrophobicContact CD1-CB 4.37Å
103L95.2Very high94.4Very high13 Ų1331.4 Ų31.47%0.06815%0.15CC..  trans-140.5135.2171.5-171.860.8000105.9K59 I65 T107 I111 Y136 A287K59-L103 HydrophobicContact CB-CD2 4.31Å; K59-L103 HydrophobicContact CD-CD2 4.31Å; I65-L103 HydrophobicContact CD1-CB 4.08Å; I65-L103 WeakPolarHBondContact CD1-O 3.15Å; L103-T107 HydrophobicContact CD1-CG2 3.46Å; L103-T107 VanDerWaalsContact CD1-CG2 3.46Å; L103-T107 HydrophobicContact CD2-CG2 4.46Å; L103-T107 HydrophobicContact CG-CG2 4.01Å; L103-I111 HydrophobicContact CB-CD1 4.29Å; L103-I111 HydrophobicContact CD2-CB 4.4Å; L103-Y136 HydrophobicContact CD1-CE1 4.02Å; L103-A287 HydrophobicContact CD1-CB 4.07Å; L103-A287 HydrophobicContact CD2-CB 4.34Å
104D93.7Very high94.7Very high37 Ų3729.1 Ų29.120%0.19814%0.137CC..  trans-64.9153.9-177.4-69.9-20.4000110.5K59 T107 H232 R235K59-D104 PolarHBondContact NZ-O 2.9Å; D104-T107 PolarHBondContact O-N 3.42Å; D104-H232 VanDerWaalsContact CG-CD2 3.49Å; D104-H232 IonicContact OD1-CD2 2.73Å; D104-H232 PolarHBondContact OD1-CD2 3.39Å; D104-H232 IonicContact OD1-NE2 3.59Å; D104-H232 IonicContact OD2-CD2 3.25Å; D104-H232 PolarHBondContact OD2-CD2 3Å; D104-H232 IonicContact OD2-CG 3.63Å; D104-H232 IonicContact OD2-NE2 3.42Å; D104-R235 IonicContact OD2-NH1 3.91Å
105C92Very high94.9Very high42 Ų4222.6 Ų22.628%0.28411%0.109SC..THydrogen-bonded Turntrans-50.7-57.9178.3-169.80000112.1K59 P61 L64 T107K59-C105 PolarHBondContact NZ-O 2.81Å; P61-C105 CarbonylContact C-O 3.49Å; P61-C105 VanDerWaalsContact C-O 3.25Å; P61-C105 CarbonylContact O-C 3.54Å; L64-C105 HydrophobicContact CD2-CB 3.75Å; C105-T107 PolarHBondContact O-N 3.47Å; C105-T107 VanDerWaalsContact O-N 3.13Å
106P92.9Very high95Very high39 Ų3921.2 Ų21.225%0.25310%0.101SC..THydrogen-bonded Turntrans-67.9-9.7-176.930.8-39.2000114.6P61 M283P61-P106 WeakPolarHBondContact CB-O 3.49Å; P61-P106 CarbonylContact O-C 3.4Å; P61-P106 WeakPolarHBondContact O-CA 3.33Å; P106-M283 HydrophobicContact CB-CB 3.85Å; P106-M283 HydrophobicContact CB-CE 4.15Å; P106-M283 HydrophobicContact CG-CE 3.72Å; P106-M283 HydrophobicContact CG-SD 4.19Å
107T94.9Very high94.9Very high2 Ų224.8 Ų24.81%0.01212%0.123CC..  trans-86.9128.4-177.9-54.20000110K59 L103 D104 C105 M283 L285K59-T107 WeakPolarHBondContact CE-O 3.25Å; K59-T107 PolarHBondContact NZ-O 2.7Å; L103-T107 HydrophobicContact CD1-CG2 3.46Å; L103-T107 VanDerWaalsContact CD1-CG2 3.46Å; L103-T107 HydrophobicContact CD2-CG2 4.46Å; L103-T107 HydrophobicContact CG-CG2 4.01Å; D104-T107 PolarHBondContact O-N 3.42Å; C105-T107 PolarHBondContact O-N 3.47Å; C105-T107 VanDerWaalsContact O-N 3.13Å; T107-M283 WeakPolarHBondContact OG1-CE 3.35Å; T107-L285 HydrophobicContact CG2-CB 4.24Å; T107-L285 HydrophobicContact CG2-CD2 4.04Å; T107-L285 HydrophobicContact CG2-CG 3.84Å; T107-L285 WeakPolarHBondContact CG2-O 3.46Å
108S94.2Very high94.7Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-88.6165.3173.457.70000111.1K59 L285 H286 A287K59-S108 WeakPolarHBondContact O-CA 3.25Å; S108-L285 PolarHBondContact N-O 2.77Å; S108-L285 PolarHBondContact OG-O 3.47Å; S108-H286 VanDerWaalsContact C-ND1 3.3Å; S108-H286 CarbonylContact O-C 3.58Å; S108-H286 WeakPolarHBondContact O-CA 3.38Å; S108-H286 PolarHBondContact O-ND1 3.26Å; S108-H286 PolarHBondContact OG-ND1 3.43Å; S108-A287 PolarHBondContact O-N 2.96Å
109G95.1Very high94.5Very high0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans108.1-162.6169.100000115.7N58 K59 I111 H286 A287N58-G109 VanDerWaalsContact OD1-CA 3.26Å; N58-G109 WeakPolarHBondContact OD1-CA 3.16Å; N58-G109 PolarHBondContact OD1-N 3.04Å; K59-G109 WeakPolarHBondContact CB-O 3.18Å; K59-G109 PolarHBondContact N-O 2.86Å; K59-G109 PolarHBondContact O-N 3.4Å; K59-G109 VanDerWaalsContact O-N 3.11Å; G109-I111 PolarHBondContact O-N 3.32Å; G109-H286 WeakPolarHBondContact CA-CE1 3.43Å; G109-H286 WeakPolarHBondContact CA-ND1 3.42Å; G109-H286 PolarHBondContact N-CE1 3.16Å; G109-H286 PolarHBondContact N-ND1 2.86Å; G109-A287 WeakPolarHBondContact CA-O 3.15Å
110L95.8Very high94.4Very high3 Ų324.9 Ų24.92%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-61.9126.7-166.6-59.2175.2000112.7V48 V56 I57 A287 Y288 M290 F323 T325V48-L110 HydrophobicContact CB-CD2 4.35Å; V48-L110 HydrophobicContact CG1-CD2 4.4Å; V48-L110 HydrophobicContact CG2-CD2 3.85Å; V56-L110 HydrophobicContact CG1-CB 4.24Å; V56-L110 HydrophobicContact CG1-CD2 3.79Å; V56-L110 HydrophobicContact CG1-CG 4.5Å; I57-L110 CarbonylContact O-C 3.45Å; I57-L110 WeakPolarHBondContact O-CA 3.3Å; L110-A287 HydrophobicContact CB-CB 4.45Å; L110-A287 WeakPolarHBondContact CG-O 3.39Å; L110-A287 PolarHBondContact N-O 2.87Å; L110-Y288 VanDerWaalsContact CD1-O 3.28Å; L110-Y288 WeakPolarHBondContact CD1-O 3.32Å; L110-M290 HydrophobicContact CB-CE 4.33Å; L110-M290 HydrophobicContact CD1-CB 3.97Å; L110-F323 HydrophobicContact CD1-CB 3.9Å; L110-F323 WeakPolarHBondContact CD1-O 3.02Å; L110-F323 HydrophobicContact CD2-CB 4.46Å; L110-T325 HydrophobicContact CD2-CG2 3.65Å; L110-T325 HydrophobicContact CG-CG2 3.81Å
111I96.9Very high94.3Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-132.4130.2165.7-174.1172.6000109.7V56 I57 K59 I65 L77 L103 G109 I113V56-I111 WeakPolarHBondContact CA-O 3.49Å; I57-I111 HydrophobicContact CB-CG2 4.19Å; I57-I111 PolarHBondContact N-O 2.9Å; I57-I111 PolarHBondContact O-N 3.46Å; K59-I111 HydrophobicContact CB-CG2 3.95Å; I65-I111 HydrophobicContact CD1-CD1 3.38Å; I65-I111 HydrophobicContact CG1-CD1 3.72Å; I65-I111 HydrophobicContact CG2-CD1 4.17Å; L77-I111 HydrophobicContact CD2-CD1 4.18Å; L77-I111 HydrophobicContact CD2-CG2 3.65Å; L103-I111 HydrophobicContact CB-CD1 4.29Å; L103-I111 HydrophobicContact CD2-CB 4.4Å; G109-I111 PolarHBondContact O-N 3.32Å; I111-I113 HydrophobicContact CG1-CG1 4.3Å
112C97.1Very high94.2Very high0 Ų026.7 Ų26.70%014%0.139CC..EExtended strand (participates in β ladder)trans-91.1130.3173.3-175.80000110.4L55 V56 V100 H101 M290 I292L55-C112 CarbonylContact O-C 3.49Å; L55-C112 WeakPolarHBondContact O-CA 3.31Å; V56-C112 HydrophobicContact CG2-CB 4.36Å; V100-C112 HydrophobicContact CG2-CB 4.22Å; V100-C112 WeakPolarHBondContact CG2-O 3.34Å; H101-C112 PolarHBondContact NE2-N 2.9Å; C112-M290 HydrophobicContact CB-CE 3.76Å; C112-M290 HydrophobicContact CB-SD 4.41Å; C112-I292 HydrophobicContact CB-CD1 4.33Å
113I97.3Very high94.2Very high0 Ų018.7 Ų18.70%011%0.109CC..EExtended strand (participates in β ladder)trans-133.9125178.7-58.1175.4000107.6F54 L55 I57 L77 L81 F97 F99 I111F54-I113 CarbonylContact C-O 3.25Å; F54-I113 WeakPolarHBondContact CA-O 3.1Å; L55-I113 PolarHBondContact N-O 3.32Å; L55-I113 PolarHBondContact O-N 2.95Å; I57-I113 HydrophobicContact CD1-CD1 4.1Å; L77-I113 HydrophobicContact CD2-CD1 3.64Å; L77-I113 HydrophobicContact CG-CD1 4.18Å; L81-I113 HydrophobicContact CD2-CD1 4.24Å; L81-I113 HydrophobicContact CD2-CG2 4.03Å; F97-I113 HydrophobicContact CB-CG2 3.76Å; F97-I113 HydrophobicContact CG-CG2 4.46Å; F99-I113 HydrophobicContact CD1-CD1 3.95Å; F99-I113 HydrophobicContact CD1-CG1 3.94Å; F99-I113 HydrophobicContact CD1-CG2 4.43Å; F99-I113 HydrophobicContact CE1-CD1 3.48Å; F99-I113 VanDerWaalsContact CE1-CD1 3.48Å; F99-I113 HydrophobicContact CE1-CG1 4Å; F99-I113 HydrophobicContact CE1-CG2 4.41Å; F99-I113 HydrophobicContact CZ-CD1 4.39Å; I111-I113 HydrophobicContact CG1-CG1 4.3Å
114A96.3Very high94.2Very high0 Ų022.4 Ų22.40%012%0.122CC..EExtended strand (participates in β ladder)trans-92.6144.5174.800000111.1G53 F54 H98 V100 A120 I123G53-A114 WeakPolarHBondContact O-CA 3.28Å; F54-A114 HydrophobicContact CB-CB 4.1Å; H98-A114 WeakPolarHBondContact CA-O 3.42Å; H98-A114 HydrophobicContact CB-CB 3.98Å; H98-A114 WeakPolarHBondContact CB-O 3.47Å; H98-A114 PolarHBondContact N-O 3.21Å; H98-A114 PolarHBondContact O-N 3.46Å; V100-A114 HydrophobicContact CG1-CB 3.98Å; A114-A120 HydrophobicContact CB-CB 3.64Å; A114-I123 HydrophobicContact CB-CD1 4.25Å
115Y94.3Very high94.2Very high29 Ų2925.8 Ų25.811%0.11413%0.132CC..SBendtrans-108.9-22.5170.559.4-94.5000112.2G53 L55 Y88 Y313G53-Y115 VanDerWaalsContact C-CD1 3.44Å; G53-Y115 PolarHBondContact N-OH 3.42Å; G53-Y115 WeakPolarHBondContact O-CD1 3.43Å; G53-Y115 PolarHBondContact O-N 2.94Å; L55-Y115 HydrophobicContact CD1-CD1 3.51Å; L55-Y115 HydrophobicContact CD1-CE1 4.11Å; L55-Y115 HydrophobicContact CG-CD1 4.27Å; L55-Y115 HydrophobicContact CG-CE1 4.41Å; Y88-Y115 HydrophobicContact CD1-CD1 4.38Å; Y88-Y115 AromaticContact CD1-CD2 3.77Å; Y88-Y115 HydrophobicContact CD1-CD2 3.77Å; Y88-Y115 AromaticContact CD1-CE2 3.99Å; Y88-Y115 HydrophobicContact CD1-CE2 3.99Å; Y88-Y115 AromaticContact CD1-CG 3.97Å; Y88-Y115 HydrophobicContact CD1-CG 3.97Å; Y88-Y115 HydrophobicContact CD2-CD1 4.05Å; Y88-Y115 HydrophobicContact CD2-CE1 4.38Å; Y88-Y115 HydrophobicContact CD2-CG 4.26Å; Y88-Y115 HydrophobicContact CE1-CD2 4.19Å; Y88-Y115 HydrophobicContact CE1-CE1 4.38Å; Y88-Y115 AromaticContact CE1-CE2 3.93Å; Y88-Y115 HydrophobicContact CE1-CE2 3.93Å; Y88-Y115 HydrophobicContact CE2-CD1 4.3Å; Y88-Y115 HydrophobicContact CE2-CE1 4.18Å; Y88-Y115 HydrophobicContact CG-CD1 4.1Å; Y88-Y115 HydrophobicContact CG-CD2 4.13Å; Y88-Y115 AromaticContact CG-CG 3.83Å; Y88-Y115 HydrophobicContact CG-CG 3.83Å; Y115-Y313 HydrophobicContact CE2-CE2 4.41Å
116D92.8Very high94.2Very high20 Ų2023.9 Ų23.911%0.10712%0.119CC..SBendtrans-94.3144.3171179.267.2000111.8G53 K118 A119 A120G53-D116 PolarHBondContact O-N 3.26Å; D116-K118 WeakPolarHBondContact OD2-CA 3.42Å; D116-K118 VanDerWaalsContact OD2-CB 3.27Å; D116-K118 WeakPolarHBondContact OD2-CB 3.33Å; D116-K118 PolarHBondContact OD2-N 2.8Å; D116-A119 HydrophobicContact CB-CB 4.13Å; D116-A119 PolarHBondContact OD2-N 3.15Å; D116-A119 VanDerWaalsContact OD2-N 3.08Å; D116-A120 VanDerWaalsContact O-CB 3.25Å; D116-A120 WeakPolarHBondContact O-CB 3.41Å; D116-A120 PolarHBondContact O-N 2.84Å
117T92.4Very high94.3Very high80 Ų8024 Ų2449%0.49112%0.116SC..Hα-helixtrans-69.9-36.4-177.9490000113.1H98 A120 S121H98-T117 WeakPolarHBondContact NE2-CG2 3.37Å; T117-A120 PolarHBondContact O-N 3.44Å; T117-S121 PolarHBondContact O-N 3.09Å; T117-S121 VanDerWaalsContact O-N 3.09Å
118K91.6Very high94.2Very high51 Ų5131 Ų3122%0.22215%0.148CC..Hα-helixtrans-71.8-47.4180-62.4178.6176.4174.50109.5D116 A120 S121 M122 L315D116-K118 WeakPolarHBondContact OD2-CA 3.42Å; D116-K118 VanDerWaalsContact OD2-CB 3.27Å; D116-K118 WeakPolarHBondContact OD2-CB 3.33Å; D116-K118 PolarHBondContact OD2-N 2.8Å; K118-A120 VanDerWaalsContact C-N 3.28Å; K118-A120 PolarHBondContact O-N 3.11Å; K118-S121 WeakPolarHBondContact O-CB 3.18Å; K118-S121 PolarHBondContact O-N 2.81Å; K118-S121 VanDerWaalsContact O-N 3.11Å; K118-M122 PolarHBondContact O-N 2.83Å; K118-L315 HydrophobicContact CB-CD1 3.63Å
119A92Very high94.2Very high1 Ų134.8 Ų34.81%0.00817%0.169CC..Hα-helixtrans-56.7-43.3173.100000111.6D116 S121 M122 I123 L315D116-A119 HydrophobicContact CB-CB 4.13Å; D116-A119 PolarHBondContact OD2-N 3.15Å; D116-A119 VanDerWaalsContact OD2-N 3.08Å; A119-S121 VanDerWaalsContact C-N 3.33Å; A119-S121 PolarHBondContact O-N 2.8Å; A119-M122 PolarHBondContact O-N 3.23Å; A119-I123 HydrophobicContact CB-CD1 4.5Å; A119-I123 WeakPolarHBondContact O-CB 3.06Å; A119-I123 WeakPolarHBondContact O-CD1 3.28Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 2.9Å; A119-L315 HydrophobicContact CB-CD2 4.34Å
120A94.1Very high94Very high2 Ų241 Ų412%0.01720%0.196CC..Hα-helixtrans-59.1-41.9176.600000113.1H98 V100 A114 D116 T117 K118 R124H98-A120 HydrophobicContact CB-CB 3.46Å; H98-A120 VanDerWaalsContact CB-CB 3.46Å; H98-A120 VanDerWaalsContact CG-CB 3.48Å; V100-A120 HydrophobicContact CG1-CB 4.13Å; A114-A120 HydrophobicContact CB-CB 3.64Å; D116-A120 VanDerWaalsContact O-CB 3.25Å; D116-A120 WeakPolarHBondContact O-CB 3.41Å; D116-A120 PolarHBondContact O-N 2.84Å; T117-A120 PolarHBondContact O-N 3.44Å; K118-A120 VanDerWaalsContact C-N 3.28Å; K118-A120 PolarHBondContact O-N 3.11Å; A120-R124 WeakPolarHBondContact O-CB 3.44Å; A120-R124 WeakPolarHBondContact O-CG 3.09Å; A120-R124 PolarHBondContact O-N 3.46Å
121S93.3Very high93.8Very high64 Ų6444.3 Ų44.345%0.44821%0.211SC..Hα-helixtrans-62.5-51.5177.4-178.20000111.3T117 K118 A119 I123 R124 R125T117-S121 PolarHBondContact O-N 3.09Å; T117-S121 VanDerWaalsContact O-N 3.09Å; K118-S121 WeakPolarHBondContact O-CB 3.18Å; K118-S121 PolarHBondContact O-N 2.81Å; K118-S121 VanDerWaalsContact O-N 3.11Å; A119-S121 VanDerWaalsContact C-N 3.33Å; A119-S121 PolarHBondContact O-N 2.8Å; S121-I123 PolarHBondContact O-N 3.43Å; S121-R124 PolarHBondContact O-N 3.01Å; S121-R125 PolarHBondContact O-N 3.49Å
122M91.7Very high93.8Very high10 Ų1044.8 Ų44.85%0.04921%0.214CC..Hα-helixtrans-59.5-46.9179.5-70.2174.356.400112.2K118 A119 R125 A126 L294 L315K118-M122 PolarHBondContact O-N 2.83Å; A119-M122 PolarHBondContact O-N 3.23Å; M122-R125 PolarHBondContact O-N 3.3Å; M122-A126 PolarHBondContact O-N 2.98Å; M122-L294 HydrophobicContact CB-CD2 4.42Å; M122-L294 HydrophobicContact CE-CB 3.94Å; M122-L315 HydrophobicContact CE-CB 4.34Å; M122-L315 HydrophobicContact CE-CD2 4.25Å; M122-L315 HydrophobicContact SD-CB 4.02Å; M122-L315 HydrophobicContact SD-CD1 3.51Å; M122-L315 VanDerWaalsContact SD-CD1 3.51Å; M122-L315 HydrophobicContact SD-CD2 3.93Å; M122-L315 HydrophobicContact SD-CG 3.99Å
123I94.4Very high93.7Very high0 Ų050.4 Ų50.40%024%0.238CC..Hα-helixtrans-67-41.7-178.9-62.2158.6000110.8F54 V100 A114 A119 S121 R125 A126 F127 L294F54-I123 HydrophobicContact CB-CD1 3.64Å; F54-I123 HydrophobicContact CD1-CD1 3.97Å; F54-I123 HydrophobicContact CD2-CD1 4.17Å; F54-I123 HydrophobicContact CG-CD1 3.66Å; V100-I123 HydrophobicContact CB-CB 4.38Å; V100-I123 HydrophobicContact CB-CG2 3.95Å; V100-I123 HydrophobicContact CG1-CB 4.27Å; V100-I123 HydrophobicContact CG1-CG2 4.34Å; V100-I123 HydrophobicContact CG2-CB 4.28Å; V100-I123 HydrophobicContact CG2-CG2 3.48Å; V100-I123 VanDerWaalsContact CG2-CG2 3.48Å; A114-I123 HydrophobicContact CB-CD1 4.25Å; A119-I123 HydrophobicContact CB-CD1 4.5Å; A119-I123 WeakPolarHBondContact O-CB 3.06Å; A119-I123 WeakPolarHBondContact O-CD1 3.28Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.33Å; A119-I123 PolarHBondContact O-N 2.9Å; S121-I123 PolarHBondContact O-N 3.43Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 2.86Å; I123-A126 PolarHBondContact O-N 2.81Å; I123-F127 HydrophobicContact CG2-CD2 3.76Å; I123-F127 HydrophobicContact CG2-CE2 3.61Å; I123-F127 VanDerWaalsContact O-CD2 3.27Å; I123-F127 WeakPolarHBondContact O-CD2 3.19Å; I123-F127 PolarHBondContact O-N 3.13Å; I123-L294 HydrophobicContact CB-CD2 4.45Å; I123-L294 HydrophobicContact CG1-CD1 4.24Å; I123-L294 HydrophobicContact CG1-CD2 3.73Å
124R95Very high93.7Very high91 Ų9151.7 Ų51.734%0.34324%0.244SC..Hα-helixtrans-57.1-45.4175-79177-165.9-69.5-7.8111.3F99 V100 A120 S121 A126 F127 E128F99-R124 PolarHBondContact O-NH1 2.98Å; F99-R124 PolarHBondContact O-NH2 2.83Å; V100-R124 HydrophobicContact CB-CG 3.97Å; V100-R124 HydrophobicContact CG1-CG 3.98Å; A120-R124 WeakPolarHBondContact O-CB 3.44Å; A120-R124 WeakPolarHBondContact O-CG 3.09Å; A120-R124 PolarHBondContact O-N 3.46Å; S121-R124 PolarHBondContact O-N 3.01Å; R124-A126 PolarHBondContact O-N 3.28Å; R124-F127 WeakPolarHBondContact O-CB 3.48Å; R124-F127 PolarHBondContact O-N 3.16Å; R124-F127 VanDerWaalsContact O-N 3.17Å; R124-E128 WeakPolarHBondContact O-CG 3.3Å; R124-E128 PolarHBondContact O-N 2.98Å
125R93.1Very high93.6Very high108 Ų10853 Ų5341%0.40825%0.249SC..Hα-helixtrans-61-44.2177.6-171.4-178.8-177.7-167.71.6112S121 M122 I123 F127 E128 N129 N297S121-R125 PolarHBondContact O-N 3.49Å; M122-R125 PolarHBondContact O-N 3.3Å; I123-R125 VanDerWaalsContact C-N 3.29Å; I123-R125 PolarHBondContact O-N 2.86Å; R125-F127 VanDerWaalsContact C-N 3.27Å; R125-F127 PolarHBondContact O-N 2.83Å; R125-E128 PolarHBondContact O-N 3.18Å; R125-E128 VanDerWaalsContact O-N 3.12Å; R125-N129 WeakPolarHBondContact O-CB 3.32Å; R125-N129 PolarHBondContact O-N 2.77Å; R125-N297 PolarHBondContact NH1-ND2 3.34Å; R125-N297 VanDerWaalsContact NH1-ND2 3.1Å; R125-N297 PolarHBondContact NH1-OD1 3.16Å
126A93.5Very high93.7Very high2 Ų252.8 Ų52.82%0.01725%0.248CC..Hα-helixtrans-58.5-39.5175.700000111.8M122 I123 R124 K130 E131 V132 I292 L294M122-A126 PolarHBondContact O-N 2.98Å; I123-A126 PolarHBondContact O-N 2.81Å; R124-A126 PolarHBondContact O-N 3.28Å; A126-K130 PolarHBondContact O-N 2.95Å; A126-E131 HydrophobicContact CB-CB 4.47Å; A126-E131 PolarHBondContact O-N 2.95Å; A126-V132 HydrophobicContact CB-CG2 3.89Å; A126-I292 HydrophobicContact CB-CG2 4.42Å; A126-L294 HydrophobicContact CB-CD2 4.45Å
127F94.7Very high93.8Very high42 Ų4252.5 Ų52.518%0.18425%0.247CC..Hα-helixtrans-68-41.3173.2-83.8-74.8000113.1V100 H101 I123 R124 R125 K130 V132 K134 M290V100-F127 HydrophobicContact CG2-CE2 4.22Å; H101-F127 HydrophobicContact CB-CD1 4.07Å; H101-F127 HydrophobicContact CB-CD2 4.13Å; H101-F127 HydrophobicContact CB-CE1 3.83Å; H101-F127 HydrophobicContact CB-CE2 3.92Å; H101-F127 HydrophobicContact CB-CG 4.23Å; H101-F127 HydrophobicContact CB-CZ 3.77Å; H101-F127 AromaticContact CD2-CE2 3.48Å; H101-F127 VanDerWaalsContact CD2-CE2 3.48Å; H101-F127 WeakPolarHBondContact CD2-CE2 3.36Å; H101-F127 AromaticContact CD2-CZ 3.22Å; H101-F127 WeakPolarHBondContact CD2-CZ 3.39Å; H101-F127 AromaticContact CG-CE1 3.84Å; H101-F127 AromaticContact CG-CE2 3.92Å; H101-F127 AromaticContact CG-CZ 3.48Å; H101-F127 VanDerWaalsContact CG-CZ 3.48Å; H101-F127 AromaticContact NE2-CZ 3.81Å; I123-F127 HydrophobicContact CG2-CD2 3.76Å; I123-F127 HydrophobicContact CG2-CE2 3.61Å; I123-F127 VanDerWaalsContact O-CD2 3.27Å; I123-F127 WeakPolarHBondContact O-CD2 3.19Å; I123-F127 PolarHBondContact O-N 3.13Å; R124-F127 WeakPolarHBondContact O-CB 3.48Å; R124-F127 PolarHBondContact O-N 3.16Å; R124-F127 VanDerWaalsContact O-N 3.17Å; R125-F127 VanDerWaalsContact C-N 3.27Å; R125-F127 PolarHBondContact O-N 2.83Å; F127-K130 PolarHBondContact O-N 2.93Å; F127-V132 HydrophobicContact CD1-CB 4.05Å; F127-V132 HydrophobicContact CD1-CG1 4.26Å; F127-V132 HydrophobicContact CD1-CG2 4.05Å; F127-V132 HydrophobicContact CD2-CG2 4.16Å; F127-V132 HydrophobicContact CE1-CB 4.01Å; F127-V132 HydrophobicContact CE1-CG1 3.69Å; F127-V132 HydrophobicContact CE1-CG2 4.15Å; F127-V132 HydrophobicContact CE2-CG2 4.24Å; F127-V132 HydrophobicContact CG-CG2 4.05Å; F127-V132 HydrophobicContact CZ-CB 4.43Å; F127-V132 HydrophobicContact CZ-CG1 3.91Å; F127-V132 HydrophobicContact CZ-CG2 4.23Å; F127-K134 HydrophobicContact CE1-CD 4.48Å; F127-M290 HydrophobicContact CZ-SD 3.99Å
128E93.1Very high93.9Very high149 Ų14948.7 Ų48.770%0.69622%0.223SC*.Hα-helixtrans-65.9-41.7179.8-75170.9-174.600112R124 R125 K130R124-E128 WeakPolarHBondContact O-CG 3.3Å; R124-E128 PolarHBondContact O-N 2.98Å; R125-E128 PolarHBondContact O-N 3.18Å; R125-E128 VanDerWaalsContact O-N 3.12Å; E128-K130 PolarHBondContact O-N 2.79Å
129N93.1Very high94Very high79 Ų7946.4 Ų46.442%0.42221%0.213SC..THydrogen-bonded Turntrans-75.6-2.9176.2-71.6-2.8000113.7R125 E131R125-N129 WeakPolarHBondContact O-CB 3.32Å; R125-N129 PolarHBondContact O-N 2.77Å; N129-E131 HydrophobicContact CB-CG 3.85Å; N129-E131 VanDerWaalsContact CB-OE1 3.24Å; N129-E131 WeakPolarHBondContact CB-OE1 3.39Å; N129-E131 PolarHBondContact ND2-OE1 3.27Å; N129-E131 PolarHBondContact O-N 3.42Å
130K92.3Very high93.9Very high131 Ų13146.4 Ų46.457%0.5721%0.213SC*.THydrogen-bonded Turntrans59.427.8-174.5-48.9175.3-177.71770114.1A126 F127 E128 V132A126-K130 PolarHBondContact O-N 2.95Å; F127-K130 PolarHBondContact O-N 2.93Å; E128-K130 PolarHBondContact O-N 2.79Å; K130-V132 PolarHBondContact O-N 2.85Å
131E91.8Very high93.7Very high72 Ų7246.3 Ų46.334%0.33621%0.212SC..  trans-78.8-9.1176.2-67.7165.1-15900112.3A126 N129A126-E131 HydrophobicContact CB-CB 4.47Å; A126-E131 PolarHBondContact O-N 2.95Å; N129-E131 HydrophobicContact CB-CG 3.85Å; N129-E131 VanDerWaalsContact CB-OE1 3.24Å; N129-E131 WeakPolarHBondContact CB-OE1 3.39Å; N129-E131 PolarHBondContact ND2-OE1 3.27Å; N129-E131 PolarHBondContact O-N 3.42Å
132V95.1Very high93.5Very high9 Ų943.4 Ų43.46%0.05519%0.193CC..  trans-90112.6177.1-178.80000110.7A126 F127 K130 K134 M290 K291 I292A126-V132 HydrophobicContact CB-CG2 3.89Å; F127-V132 HydrophobicContact CD1-CB 4.05Å; F127-V132 HydrophobicContact CD1-CG1 4.26Å; F127-V132 HydrophobicContact CD1-CG2 4.05Å; F127-V132 HydrophobicContact CD2-CG2 4.16Å; F127-V132 HydrophobicContact CE1-CB 4.01Å; F127-V132 HydrophobicContact CE1-CG1 3.69Å; F127-V132 HydrophobicContact CE1-CG2 4.15Å; F127-V132 HydrophobicContact CE2-CG2 4.24Å; F127-V132 HydrophobicContact CG-CG2 4.05Å; F127-V132 HydrophobicContact CZ-CB 4.43Å; F127-V132 HydrophobicContact CZ-CG1 3.91Å; F127-V132 HydrophobicContact CZ-CG2 4.23Å; K130-V132 PolarHBondContact O-N 2.85Å; V132-K134 HydrophobicContact CG1-CG 4.05Å; V132-M290 HydrophobicContact CG1-CG 3.84Å; V132-M290 HydrophobicContact CG1-SD 4.31Å; V132-K291 CarbonylContact C-O 3.57Å; V132-K291 WeakPolarHBondContact CA-O 3.22Å; V132-K291 WeakPolarHBondContact CG1-O 3.38Å; V132-I292 HydrophobicContact CG1-CG1 4.06Å; V132-I292 HydrophobicContact CG2-CG1 4.27Å; V132-I292 HydrophobicContact CG2-CG2 4.17Å
133K95.8Very high93.3Very high119 Ų11943.7 Ų43.752%0.51719%0.193SC..EExtended strand (participates in β ladder)trans-82.5133.3171.4-59.5-175.3177.7-177.70109.7Y135 M290 K291K133-Y135 HydrophobicContact CB-CE2 4.01Å; K133-M290 WeakPolarHBondContact O-CA 3.48Å; K133-K291 HydrophobicContact CB-CB 4.22Å; K133-K291 PolarHBondContact N-O 3.28Å; K133-K291 PolarHBondContact O-N 3.09Å
134K96.3Very high93Very high27 Ų2743.7 Ų43.712%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-130.3140.5-179.1-55.1151.7-72.6167.30109F127 V132 Y136 P226 T228 T289F127-K134 HydrophobicContact CE1-CD 4.48Å; V132-K134 HydrophobicContact CG1-CG 4.05Å; K134-Y136 HydrophobicContact CB-CD2 4.33Å; K134-Y136 HydrophobicContact CB-CE2 3.6Å; K134-Y136 HydrophobicContact CD-CE2 4.44Å; K134-Y136 HydrophobicContact CG-CE2 4.48Å; K134-P226 HydrophobicContact CB-CG 4.46Å; K134-P226 PolarHBondContact NZ-O 2.94Å; K134-P226 WeakPolarHBondContact O-CD 3.47Å; K134-T228 PolarHBondContact NZ-O 2.7Å; K134-T289 WeakPolarHBondContact CA-O 3.36Å
135Y96.1Very high92.3Very high26 Ų2640.3 Ų40.310%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-129.5129.4177.8-57-97.5000108K133 L223 I225 Y288 T289 I365K133-Y135 HydrophobicContact CB-CE2 4.01Å; Y135-L223 HydrophobicContact CD1-CD2 4.21Å; Y135-I225 HydrophobicContact CD1-CD1 3.97Å; Y135-I225 HydrophobicContact CD1-CG1 3.78Å; Y135-I225 HydrophobicContact CE1-CD1 3.81Å; Y135-I225 HydrophobicContact CE1-CG1 4.05Å; Y135-I225 HydrophobicContact CE1-CG2 4.33Å; Y135-Y288 WeakPolarHBondContact O-CB 3.35Å; Y135-Y288 PolarHBondContact O-N 3.15Å; Y135-T289 HydrophobicContact CD2-CG2 3.93Å; Y135-T289 HydrophobicContact CE2-CG2 4.48Å; Y135-T289 PolarHBondContact N-O 3.46Å; Y135-T289 PolarHBondContact O-N 2.88Å; Y135-T289 VanDerWaalsContact O-N 3.12Å; Y135-I365 HydrophobicContact CD1-CD1 4.24Å; Y135-I365 HydrophobicContact CE1-CD1 4.47Å; Y135-I365 HydrophobicContact CE1-CG2 4.09Å
136Y96.4Very high91.2Very high25 Ų2537 Ų3710%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-120.7135.6179.2-62.6-111.1000109.8L103 K134 L223 L224 P226 L234 L285 H286 A287L103-Y136 HydrophobicContact CD1-CE1 4.02Å; K134-Y136 HydrophobicContact CB-CD2 4.33Å; K134-Y136 HydrophobicContact CB-CE2 3.6Å; K134-Y136 HydrophobicContact CD-CE2 4.44Å; K134-Y136 HydrophobicContact CG-CE2 4.48Å; Y136-L223 CarbonylContact O-C 3.52Å; Y136-L223 WeakPolarHBondContact O-CA 3.49Å; Y136-L224 PolarHBondContact N-O 2.9Å; Y136-L224 PolarHBondContact O-N 3.49Å; Y136-P226 HydrophobicContact CD2-CG 4.02Å; Y136-P226 HydrophobicContact CE2-CG 3.75Å; Y136-L234 HydrophobicContact CD1-CD1 3.74Å; Y136-L234 HydrophobicContact CD2-CD1 3.56Å; Y136-L234 HydrophobicContact CE1-CD1 4.09Å; Y136-L234 HydrophobicContact CE2-CD1 3.95Å; Y136-L234 HydrophobicContact CG-CD1 3.48Å; Y136-L234 VanDerWaalsContact CG-CD1 3.48Å; Y136-L285 HydrophobicContact CD1-CD1 4.15Å; Y136-L285 HydrophobicContact CD1-CG 4.32Å; Y136-L285 HydrophobicContact CG-CD1 4.39Å; Y136-H286 CarbonylContact C-O 3.54Å; Y136-H286 WeakPolarHBondContact CA-O 3.39Å; Y136-H286 WeakPolarHBondContact CB-O 3.45Å; Y136-A287 VanDerWaalsContact CD1-CA 3.49Å; Y136-A287 HydrophobicContact CD1-CB 3.84Å; Y136-A287 HydrophobicContact CE1-CB 3.54Å
137L94.3Very high89.5Confident15 Ų1543.7 Ų43.78%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-89.9139167-63.4172.5000108.6L209 L223 H286 Y288 F331 L361L137-L209 HydrophobicContact CD2-CD1 3.6Å; L137-L223 HydrophobicContact CD2-CD1 3.78Å; L137-H286 PolarHBondContact N-O 2.84Å; L137-H286 PolarHBondContact O-N 2.84Å; L137-Y288 HydrophobicContact CD1-CD1 4.32Å; L137-Y288 HydrophobicContact CD1-CD2 3.51Å; L137-Y288 HydrophobicContact CD1-CE2 3.92Å; L137-Y288 HydrophobicContact CD1-CG 3.71Å; L137-Y288 HydrophobicContact CG-CD1 4.3Å; L137-Y288 HydrophobicContact CG-CD2 4.19Å; L137-Y288 HydrophobicContact CG-CG 3.86Å; L137-F331 HydrophobicContact CB-CD1 4.12Å; L137-F331 HydrophobicContact CB-CE1 3.58Å; L137-F331 HydrophobicContact CB-CE2 4.36Å; L137-F331 HydrophobicContact CB-CZ 3.71Å; L137-F331 HydrophobicContact CD1-CD1 4.28Å; L137-F331 HydrophobicContact CD1-CE1 4.22Å; L137-F331 HydrophobicContact CG-CE1 4.5Å; L137-L361 HydrophobicContact CD2-CD2 4.13Å
138A94.5Very high87.3Confident0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-141.9153.217400000112.4H221 I222 L224 M284 L285A138-H221 PolarHBondContact O-CD2 3.12Å; A138-I222 HydrophobicContact CB-CD1 4.3Å; A138-I222 HydrophobicContact CB-CG1 3.87Å; A138-I222 PolarHBondContact N-O 2.88Å; A138-I222 PolarHBondContact O-N 3.26Å; A138-L224 HydrophobicContact CB-CD1 3.82Å; A138-M284 CarbonylContact C-O 3.22Å; A138-M284 WeakPolarHBondContact CA-O 3.28Å; A138-M284 WeakPolarHBondContact CB-O 2.88Å; A138-L285 HydrophobicContact CB-CD1 3.89Å
139I92.7Very high85.4Confident3 Ų343.3 Ų43.32%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-109.8125.8164.1-52.3173.3000106.7L214 A219 T220 A247 M284 F331 L333 W339I139-L214 HydrophobicContact CG2-CD2 4.06Å; I139-A219 HydrophobicContact CG2-CB 3.99Å; I139-T220 WeakPolarHBondContact CA-O 3.04Å; I139-A247 HydrophobicContact CB-CB 4.44Å; I139-A247 HydrophobicContact CG2-CB 4.43Å; I139-A247 WeakPolarHBondContact O-CB 3.18Å; I139-A247 PolarHBondContact O-N 3.49Å; I139-M284 HydrophobicContact CB-CB 3.77Å; I139-M284 HydrophobicContact CB-CG 4.12Å; I139-M284 HydrophobicContact CD1-CB 4.4Å; I139-M284 HydrophobicContact CD1-CG 4.12Å; I139-M284 HydrophobicContact CD1-SD 4.22Å; I139-M284 HydrophobicContact CG1-CB 4.16Å; I139-M284 HydrophobicContact CG1-CG 4.4Å; I139-M284 PolarHBondContact N-O 3.06Å; I139-F331 HydrophobicContact CD1-CZ 4.41Å; I139-F331 HydrophobicContact CG1-CE2 4.15Å; I139-F331 HydrophobicContact CG1-CZ 3.77Å; I139-L333 HydrophobicContact CD1-CD2 3.44Å; I139-L333 VanDerWaalsContact CD1-CD2 3.44Å; I139-L333 HydrophobicContact CG1-CD2 4.03Å; I139-W339 HydrophobicContact CG2-CE3 4.44Å; I139-W339 HydrophobicContact CG2-CZ3 3.92Å
140V91.5Very high83.1Confident0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-114152.4175.9-64.10000110.2V144 A219 T220 I222 C238 H244 P245 I246V140-V144 HydrophobicContact CG2-CG2 3.63Å; V140-A219 CarbonylContact O-C 3.23Å; V140-A219 VanDerWaalsContact O-CA 3.22Å; V140-A219 WeakPolarHBondContact O-CA 3.49Å; V140-A219 WeakPolarHBondContact O-CB 3.37Å; V140-T220 PolarHBondContact N-O 2.96Å; V140-T220 PolarHBondContact O-N 3.34Å; V140-I222 HydrophobicContact CB-CD1 4.42Å; V140-I222 HydrophobicContact CG1-CD1 3.48Å; V140-I222 VanDerWaalsContact CG1-CD1 3.48Å; V140-I222 HydrophobicContact CG1-CG1 4.31Å; V140-I222 HydrophobicContact CG2-CD1 4.03Å; V140-I222 HydrophobicContact CG2-CG2 4.25Å; V140-C238 HydrophobicContact CG1-CB 4.14Å; V140-H244 HydrophobicContact CB-CB 3.99Å; V140-H244 WeakPolarHBondContact CB-O 3.38Å; V140-H244 WeakPolarHBondContact CG1-O 3.19Å; V140-H244 HydrophobicContact CG2-CB 3.93Å; V140-P245 WeakPolarHBondContact CA-O 3.48Å; V140-I246 HydrophobicContact CG1-CG1 4.13Å
141W89.6Confident80.9Confident1 Ų142.9 Ų42.90%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-75.6148.6174.6-66.1113.7000111.8L214 M215 E217 H244 P245 A247 H272 L276 D277 L280W141-L214 HydrophobicContact CE3-CD2 4.43Å; W141-L214 HydrophobicContact CH2-CB 4.18Å; W141-L214 HydrophobicContact CH2-CD2 3.57Å; W141-L214 HydrophobicContact CH2-CG 3.94Å; W141-L214 HydrophobicContact CZ2-CD2 3.97Å; W141-L214 HydrophobicContact CZ3-CB 3.77Å; W141-L214 HydrophobicContact CZ3-CD2 3.81Å; W141-L214 HydrophobicContact CZ3-CG 4.05Å; W141-L214 WeakPolarHBondContact CZ3-O 3.43Å; W141-M215 HydrophobicContact CH2-CE 3.72Å; W141-M215 HydrophobicContact CZ2-CE 4.19Å; W141-E217 HydrophobicContact CE3-CB 4.22Å; W141-E217 HydrophobicContact CZ3-CB 3.84Å; W141-H244 VanDerWaalsContact O-CB 3.31Å; W141-H244 WeakPolarHBondContact O-CB 3.29Å; W141-H244 PolarHBondContact O-ND1 2.94Å; W141-P245 PolarHBondContact N-O 3.5Å; W141-A247 HydrophobicContact CD2-CB 4.38Å; W141-A247 HydrophobicContact CZ2-CB 4.09Å; W141-H272 HydrophobicContact CB-CB 4.12Å; W141-H272 AromaticContact CD1-CD2 3.49Å; W141-H272 VanDerWaalsContact CD1-CD2 3.49Å; W141-H272 AromaticContact CD1-CE1 3.43Å; W141-H272 VanDerWaalsContact CD1-CE1 3.43Å; W141-H272 AromaticContact CD1-CG 3.86Å; W141-H272 AromaticContact CD1-ND1 3.84Å; W141-H272 AromaticContact CD1-NE2 3.19Å; W141-H272 HydrophobicContact CD2-CB 4.13Å; W141-H272 AromaticContact CD2-CD2 3.55Å; W141-H272 AromaticContact CD2-CG 3.79Å; W141-H272 AromaticContact CE2-CD2 3.53Å; W141-H272 AromaticContact CE2-NE2 3.87Å; W141-H272 HydrophobicContact CE3-CB 4.19Å; W141-H272 HydrophobicContact CG-CB 4.14Å; W141-H272 AromaticContact CG-CD2 3.51Å; W141-H272 AromaticContact CG-CE1 3.77Å; W141-H272 AromaticContact CG-CG 3.52Å; W141-H272 AromaticContact CG-ND1 3.7Å; W141-H272 AromaticContact CG-NE2 3.67Å; W141-H272 AromaticContact NE1-CD2 3.42Å; W141-H272 PolarHBondContact NE1-CD2 3.1Å; W141-H272 AromaticContact NE1-CE1 3.97Å; W141-H272 AromaticContact NE1-NE2 3.25Å; W141-H272 PolarHBondContact NE1-NE2 3.38Å; W141-L276 HydrophobicContact CH2-CB 3.9Å; W141-L276 HydrophobicContact CH2-CD1 3.95Å; W141-L276 HydrophobicContact CZ2-CB 3.89Å; W141-L276 HydrophobicContact CZ3-CD1 4.31Å; W141-D277 PolarHBondContact NE1-OD1 3.34Å; W141-D277 PolarHBondContact NE1-OD2 3.45Å; W141-L280 HydrophobicContact CZ2-CD1 3.97Å
142G87.5Confident78.7Confident3 Ų342.9 Ų42.93%0.03126%0.256CS..SBendtrans80.4169.7-175.700000112.6P218 A219 T220G142-P218 PolarHBondContact N-O 3.37Å; G142-A219 CarbonylContact O-C 3.58Å; G142-A219 WeakPolarHBondContact O-CA 3.45Å; G142-T220 PolarHBondContact O-N 2.92Å; G142-T220 PolarHBondContact O-OG1 2.86Å
143Y88.2Confident76.5Confident15 Ų1545.4 Ų45.46%0.05928%0.275CS..  trans-97.7100.1174.9-64-39.6000110.6G145 S146 Y211 G212 P218 T220 E344 M348Y143-G145 PolarHBondContact O-N 3Å; Y143-S146 VanDerWaalsContact CB-OG 3.25Å; Y143-S146 WeakPolarHBondContact CB-OG 3.32Å; Y143-S146 WeakPolarHBondContact O-CB 3.09Å; Y143-S146 PolarHBondContact O-N 3Å; Y143-S146 PolarHBondContact O-OG 3.3Å; Y143-Y211 AromaticContact CD1-CD1 3.77Å; Y143-Y211 HydrophobicContact CD1-CD1 3.77Å; Y143-Y211 HydrophobicContact CD1-CG 4.34Å; Y143-Y211 HydrophobicContact CG-CD1 4.28Å; Y143-G212 WeakPolarHBondContact CE1-O 3.08Å; Y143-P218 HydrophobicContact CD1-CB 3.91Å; Y143-P218 HydrophobicContact CD2-CB 4.07Å; Y143-P218 HydrophobicContact CE1-CB 3.76Å; Y143-P218 HydrophobicContact CE2-CB 3.93Å; Y143-P218 HydrophobicContact CE2-CG 4.27Å; Y143-P218 HydrophobicContact CG-CB 4.08Å; Y143-T220 WeakPolarHBondContact CA-OG1 3.36Å; Y143-E344 HydrophobicContact CE2-CG 4.49Å; Y143-M348 VanDerWaalsContact CB-CE 3.42Å; Y143-M348 HydrophobicContact CD1-CE 4.17Å; Y143-M348 HydrophobicContact CD1-SD 4.43Å; Y143-M348 HydrophobicContact CD2-CE 3.39Å; Y143-M348 HydrophobicContact CD2-SD 3.38Å; Y143-M348 WeakPolarHBondContact CD2-SD 3.48Å; Y143-M348 HydrophobicContact CE1-SD 4.47Å; Y143-M348 HydrophobicContact CE2-CE 4.09Å; Y143-M348 HydrophobicContact CE2-SD 3.44Å; Y143-M348 WeakPolarHBondContact CE2-SD 3.21Å; Y143-M348 HydrophobicContact CG-CE 3.42Å; Y143-M348 VanDerWaalsContact CG-CE 3.42Å; Y143-M348 HydrophobicContact CG-SD 3.91Å
144V87.5Confident74.9Confident1 Ų140.8 Ų40.81%0.00626%0.257CS..THydrogen-bonded Turntrans-54.1130.7178.8179.70000110.4V140 S146 H165 V208 Y211 T220 I222 L242 H244V140-V144 HydrophobicContact CG2-CG2 3.63Å; V144-S146 PolarHBondContact O-N 3.2Å; V144-H165 WeakPolarHBondContact CG1-NE2 3.31Å; V144-V208 HydrophobicContact CB-CG2 3.99Å; V144-V208 HydrophobicContact CG1-CG2 3.85Å; V144-Y211 WeakPolarHBondContact O-CE1 3.44Å; V144-Y211 PolarHBondContact O-OH 3.37Å; V144-T220 HydrophobicContact CB-CG2 4.16Å; V144-T220 HydrophobicContact CG2-CG2 4.07Å; V144-T220 PolarHBondContact N-OG1 3.33Å; V144-I222 HydrophobicContact CG2-CG2 4.45Å; V144-L242 HydrophobicContact CG1-CD1 3.92Å; V144-L242 HydrophobicContact CG1-CD2 4.03Å; V144-L242 HydrophobicContact CG1-CG 4.19Å; V144-L242 HydrophobicContact CG2-CD2 3.86Å; V144-L242 HydrophobicContact CG2-CG 4.42Å; V144-H244 HydrophobicContact CG2-CB 4.07Å
145G80.6Confident74Confident20 Ų2045 Ų4521%0.20629%0.29CS..THydrogen-bonded Turntrans69.70.417400000116.7Y143Y143-G145 PolarHBondContact O-N 3Å
146S69.8Low73.5Confident38 Ų3845.2 Ų45.227%0.26629%0.291SS..THydrogen-bonded Turntrans-69.4-41-179.161.80000114Y143 V144 M352Y143-S146 VanDerWaalsContact CB-OG 3.25Å; Y143-S146 WeakPolarHBondContact CB-OG 3.32Å; Y143-S146 WeakPolarHBondContact O-CB 3.09Å; Y143-S146 PolarHBondContact O-N 3Å; Y143-S146 PolarHBondContact O-OG 3.3Å; V144-S146 PolarHBondContact O-N 3.2Å; S146-M352 VanDerWaalsContact CA-CE 3.48Å
147F58.1Low73.1Confident143 Ų14344.8 Ų44.863%0.62729%0.292SS*.SBendtrans-100.9114.7161.7-51.5-80.6000103.4D149F147-D149 VanDerWaalsContact C-N 3.29Å; F147-D149 PolarHBondContact O-N 3.19Å
148C50.1Low72.9Confident112 Ų11251.5 Ų51.576%0.75732%0.32SS*.  trans-52.4108.7156.2-51.70000104.7S150C148-S150 PolarHBondContact O-N 2.87Å
149D52Low72.6Confident71 Ų7155.3 Ų55.338%0.3834%0.338SS..  trans-38.4114.1-173.7-77.5-41.3000109.4F147 G151 L152F147-D149 VanDerWaalsContact C-N 3.29Å; F147-D149 PolarHBondContact O-N 3.19Å; D149-G151 PolarHBondContact O-N 2.73Å; D149-L152 HydrophobicContact CB-CB 4.26Å; D149-L152 PolarHBondContact O-N 2.95Å
150S44.5Very low72.3Confident114 Ų11460.7 Ų60.780%0.79736%0.363SS*.SBendtrans-65.884.6-171.6-9.90000107.9C148 L152C148-S150 PolarHBondContact O-N 2.87Å; S150-L152 VanDerWaalsContact C-N 3.25Å; S150-L152 PolarHBondContact O-N 3.15Å
151G46.8Very low72Confident86 Ų8663.2 Ų63.289%0.88738%0.38SS*.SBendtrans73.13.6-174.900000116.2D149D149-G151 PolarHBondContact O-N 2.73Å
152L44.8Very low71.6Confident72 Ų7268.7 Ų68.738%0.37740%0.404SS..  trans-118.828.7-170-14972.9000114.1D149 S150 S154 L265D149-L152 HydrophobicContact CB-CB 4.26Å; D149-L152 PolarHBondContact O-N 2.95Å; S150-L152 VanDerWaalsContact C-N 3.25Å; S150-L152 PolarHBondContact O-N 3.15Å; L152-S154 PolarHBondContact O-N 3.35Å; L152-L265 HydrophobicContact CD1-CD1 4.36Å; L152-L265 HydrophobicContact CD1-CD2 3.66Å; L152-L265 HydrophobicContact CD2-CB 4.38Å; L152-L265 HydrophobicContact CD2-CD1 3.54Å; L152-L265 HydrophobicContact CD2-CD2 3.79Å; L152-L265 HydrophobicContact CD2-CG 4.05Å; L152-L265 HydrophobicContact CG-CD1 3.82Å; L152-L265 HydrophobicContact CG-CD2 4.03Å; L152-L265 HydrophobicContact CG-CG 4.5Å
153S49.4Very low71.6Confident63 Ų6369.1 Ų69.144%0.44141%0.406SS..  trans-59.1105.8168.1-168.90000107.3S155 H159S153-S155 PolarHBondContact O-N 3.02Å; S153-H159 PolarHBondContact OG-NE2 3.4Å
154S62.6Low71.7Confident22 Ų2268.7 Ų68.715%0.15441%0.405CS..  trans-57139.917879.80000107.4L152 F156 V157 G241L152-S154 PolarHBondContact O-N 3.35Å; S154-F156 PolarHBondContact O-N 3.08Å; S154-V157 PolarHBondContact O-N 3.18Å; S154-G241 PolarHBondContact OG-O 3.28Å
155S76.2Confident71.9Confident116 Ų11668.7 Ų68.781%0.81141%0.405SS*.THydrogen-bonded Turntrans-56.8-6.3-177.156.50000114.4S153S153-S155 PolarHBondContact O-N 3.02Å
156F86.4Confident72.6Confident29 Ų2970.4 Ų70.413%0.12741%0.407CS..THydrogen-bonded Turntrans-88.3-17.7179.2-52.9-53.4000114.2S154 I167 Q168 M169 P190 T192S154-F156 PolarHBondContact O-N 3.08Å; F156-I167 CarbonylContact O-C 3.37Å; F156-I167 WeakPolarHBondContact O-CA 3.39Å; F156-Q168 WeakPolarHBondContact CA-O 3.47Å; F156-Q168 PolarHBondContact O-N 3.3Å; F156-M169 HydrophobicContact CB-CB 4.07Å; F156-M169 HydrophobicContact CB-SD 4.47Å; F156-M169 HydrophobicContact CD1-CB 3.75Å; F156-M169 HydrophobicContact CD1-CG 3.61Å; F156-M169 HydrophobicContact CD1-SD 4.12Å; F156-M169 HydrophobicContact CD2-CG 4.14Å; F156-M169 HydrophobicContact CD2-SD 3.5Å; F156-M169 WeakPolarHBondContact CD2-SD 3.37Å; F156-M169 HydrophobicContact CE1-CB 4.34Å; F156-M169 HydrophobicContact CE1-CG 3.72Å; F156-M169 HydrophobicContact CE1-SD 4.21Å; F156-M169 HydrophobicContact CE2-CG 4.23Å; F156-M169 HydrophobicContact CE2-SD 3.6Å; F156-M169 VanDerWaalsContact CE2-SD 3.6Å; F156-M169 HydrophobicContact CG-CB 3.88Å; F156-M169 HydrophobicContact CG-CG 3.82Å; F156-M169 HydrophobicContact CG-SD 3.76Å; F156-M169 HydrophobicContact CZ-CG 4.02Å; F156-M169 HydrophobicContact CZ-SD 3.95Å; F156-P190 HydrophobicContact CE2-CB 4.47Å; F156-P190 HydrophobicContact CZ-CB 4.21Å; F156-T192 HydrophobicContact CZ-CG2 3.76Å
157V88.6Confident73.7Confident17 Ų1768.7 Ų68.710%0.10340%0.395CS..EExtended strand (participates in β ladder)trans-110.2123.3-171.5-171.20000111.4S154 H165 H166 I167 G241S154-V157 PolarHBondContact O-N 3.18Å; V157-H165 HydrophobicContact CG1-CB 4.1Å; V157-H166 WeakPolarHBondContact CA-O 3.31Å; V157-I167 HydrophobicContact CG2-CG1 4.19Å; V157-G241 WeakPolarHBondContact CG2-O 3.11Å
158K90.6Very high75.5Confident156 Ų15667 Ų6768%0.67839%0.389SS*.EExtended strand (participates in β ladder)trans-104.9122.5166.7-176.1-175.9176-169.90108.7H166K158-H166 PolarHBondContact N-O 2.83Å; K158-H166 PolarHBondContact O-N 3.44Å
159H88.3Confident77.4Confident80 Ų8061.7 Ų61.737%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-90.1115.4176-54.8-94.1000108.7S153 H165S153-H159 PolarHBondContact OG-NE2 3.4Å; H159-H165 AromaticContact CE1-ND1 3.88Å; H159-H165 AromaticContact CG-ND1 3.78Å; H159-H165 AromaticContact ND1-CE1 3.42Å; H159-H165 PolarHBondContact ND1-CE1 3.32Å; H159-H165 AromaticContact ND1-CG 3.83Å; H159-H165 AromaticContact ND1-ND1 2.94Å; H159-H165 PolarHBondContact ND1-ND1 2.87Å
160E85.8Confident79.5Confident115 Ų11560 Ų6054%0.53735%0.347SS..SBendtrans-82.2-41172.7174169.9-149.700110.3V164 H166E160-V164 HydrophobicContact CB-CB 4.28Å; E160-V164 HydrophobicContact CB-CG1 4.18Å; E160-V164 PolarHBondContact N-O 2.94Å; E160-V164 WeakPolarHBondContact OE2-CG1 3.44Å; E160-H166 IonicContact OE2-CE1 3.72Å; E160-H166 IonicContact OE2-NE2 2.7Å; E160-H166 PolarHBondContact OE2-NE2 3.13Å
161S84Confident81.9Confident53 Ų5355 Ų5537%0.37131%0.312SS..SBendtrans-143.8-177.1172.776.90000110.3L163 V164 H165S161-L163 PolarHBondContact O-N 2.72Å; S161-L163 PolarHBondContact OG-N 3.43Å; S161-L163 VanDerWaalsContact OG-N 3.16Å; S161-V164 PolarHBondContact N-O 3.22Å; S161-V164 PolarHBondContact OG-N 2.98Å; S161-H165 PolarHBondContact O-CE1 2.77Å
162K81.4Confident84.2Confident116 Ų11651.1 Ų51.150%0.50427%0.271SS..SBendtrans-63.2-22172.1-68-175.7178.9-176.30113H165 S351 M352K162-H165 PolarHBondContact O-CE1 2.84Å; K162-S351 PolarHBondContact NZ-O 3.37Å; K162-M352 HydrophobicContact CB-CB 4.29Å; K162-M352 HydrophobicContact CB-CG 4.33Å; K162-M352 HydrophobicContact CB-SD 4.35Å; K162-M352 HydrophobicContact CD-CB 4.35Å; K162-M352 HydrophobicContact CD-CG 4.29Å
163L87.9Confident86.6Confident13 Ų1348.3 Ų48.37%0.06826%0.258CS..SBendtrans-113.1-14.5-175.1-60.5171.1000112.8S161 I207 V208 M352 Q354 Y364S161-L163 PolarHBondContact O-N 2.72Å; S161-L163 PolarHBondContact OG-N 3.43Å; S161-L163 VanDerWaalsContact OG-N 3.16Å; L163-I207 CarbonylContact O-C 3.47Å; L163-I207 VanDerWaalsContact O-CA 3.32Å; L163-I207 WeakPolarHBondContact O-CA 3Å; L163-V208 HydrophobicContact CB-CB 4.44Å; L163-V208 HydrophobicContact CD2-CB 3.87Å; L163-V208 HydrophobicContact CD2-CG1 4.14Å; L163-V208 PolarHBondContact O-N 2.8Å; L163-M352 HydrophobicContact CD2-CB 3.88Å; L163-M352 HydrophobicContact CD2-CG 4.5Å; L163-M352 HydrophobicContact CD2-SD 3.75Å; L163-M352 HydrophobicContact CG-CB 4.3Å; L163-Q354 HydrophobicContact CD1-CG 3.7Å; L163-Y364 WeakPolarHBondContact CD1-OH 3.41Å
164V91.2Very high88.6Confident5 Ų546.4 Ų46.43%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-118.9122.1-176.8-175.40000110.4E160 S161 T205 V206 I207 N368E160-V164 HydrophobicContact CB-CB 4.28Å; E160-V164 HydrophobicContact CB-CG1 4.18Å; E160-V164 PolarHBondContact N-O 2.94Å; E160-V164 WeakPolarHBondContact OE2-CG1 3.44Å; S161-V164 PolarHBondContact N-O 3.22Å; S161-V164 PolarHBondContact OG-N 2.98Å; V164-T205 HydrophobicContact CG1-CG2 4.08Å; V164-V206 WeakPolarHBondContact CA-O 3.45Å; V164-I207 HydrophobicContact CG2-CG2 4.3Å; V164-N368 HydrophobicContact CG2-CB 4.48Å
165H91.9Very high89.9Confident2 Ų254.4 Ų54.41%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-131.3135-177.6-46.9-54.2000110.7V144 V157 H159 S161 K162 V206 L242V144-H165 WeakPolarHBondContact CG1-NE2 3.31Å; V157-H165 HydrophobicContact CG1-CB 4.1Å; H159-H165 AromaticContact CE1-ND1 3.88Å; H159-H165 AromaticContact CG-ND1 3.78Å; H159-H165 AromaticContact ND1-CE1 3.42Å; H159-H165 PolarHBondContact ND1-CE1 3.32Å; H159-H165 AromaticContact ND1-CG 3.83Å; H159-H165 AromaticContact ND1-ND1 2.94Å; H159-H165 PolarHBondContact ND1-ND1 2.87Å; S161-H165 PolarHBondContact O-CE1 2.77Å; K162-H165 PolarHBondContact O-CE1 2.84Å; H165-V206 HydrophobicContact CB-CB 4.36Å; H165-V206 PolarHBondContact N-O 2.76Å; H165-V206 PolarHBondContact O-N 3.39Å; H165-L242 HydrophobicContact CB-CD1 4.47Å
166H93.9Very high90.4Very high55 Ų5550.3 Ų50.326%0.25524%0.235SC..EExtended strand (participates in β ladder)trans-108.4120.3175.5-53.2-83.2000109.7V157 K158 E160 T205V157-H166 WeakPolarHBondContact CA-O 3.31Å; K158-H166 PolarHBondContact N-O 2.83Å; K158-H166 PolarHBondContact O-N 3.44Å; E160-H166 IonicContact OE2-CE1 3.72Å; E160-H166 IonicContact OE2-NE2 2.7Å; E160-H166 PolarHBondContact OE2-NE2 3.13Å; H166-T205 PolarHBondContact ND1-OG1 2.86Å; H166-T205 VanDerWaalsContact ND1-OG1 3.07Å
167I93.7Very high90.4Very high2 Ų253.7 Ų53.71%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-100.7112177.5-51.8175.7000107.9F156 V157 L203 T204 V206 H237 L242F156-I167 CarbonylContact O-C 3.37Å; F156-I167 WeakPolarHBondContact O-CA 3.39Å; V157-I167 HydrophobicContact CG2-CG1 4.19Å; I167-L203 WeakPolarHBondContact O-CA 3.42Å; I167-T204 PolarHBondContact N-O 2.77Å; I167-T204 PolarHBondContact O-N 3.02Å; I167-V206 HydrophobicContact CD1-CG2 3.58Å; I167-V206 HydrophobicContact CG1-CG2 4.06Å; I167-H237 HydrophobicContact CB-CB 4.46Å; I167-H237 HydrophobicContact CD1-CB 3.95Å; I167-H237 HydrophobicContact CG2-CB 4.03Å; I167-H237 PolarHBondContact O-CE1 3.03Å; I167-L242 HydrophobicContact CD1-CB 3.94Å; I167-L242 HydrophobicContact CD1-CD1 4.44Å
168Q95Very high90Very high107 Ų10755.6 Ų55.650%0.526%0.259SS..EExtended strand (participates in β ladder)trans-114.7106.6172.7-175.9174.44.100109.3F156 E201 L203F156-Q168 WeakPolarHBondContact CA-O 3.47Å; F156-Q168 PolarHBondContact O-N 3.3Å; Q168-E201 PolarHBondContact NE2-OE1 2.85Å; Q168-L203 HydrophobicContact CB-CG 4.37Å; Q168-L203 HydrophobicContact CG-CD2 4.33Å; Q168-L203 HydrophobicContact CG-CG 4.05Å
169M91Very high89.4Confident1 Ų152.4 Ų52.41%0.00525%0.254CS..  trans-142.6124.8-176.5-176.8166.555.200109.9F156 I171 P190 S202 V236 I240F156-M169 HydrophobicContact CB-CB 4.07Å; F156-M169 HydrophobicContact CB-SD 4.47Å; F156-M169 HydrophobicContact CD1-CB 3.75Å; F156-M169 HydrophobicContact CD1-CG 3.61Å; F156-M169 HydrophobicContact CD1-SD 4.12Å; F156-M169 HydrophobicContact CD2-CG 4.14Å; F156-M169 HydrophobicContact CD2-SD 3.5Å; F156-M169 WeakPolarHBondContact CD2-SD 3.37Å; F156-M169 HydrophobicContact CE1-CB 4.34Å; F156-M169 HydrophobicContact CE1-CG 3.72Å; F156-M169 HydrophobicContact CE1-SD 4.21Å; F156-M169 HydrophobicContact CE2-CG 4.23Å; F156-M169 HydrophobicContact CE2-SD 3.6Å; F156-M169 VanDerWaalsContact CE2-SD 3.6Å; F156-M169 HydrophobicContact CG-CB 3.88Å; F156-M169 HydrophobicContact CG-CG 3.82Å; F156-M169 HydrophobicContact CG-SD 3.76Å; F156-M169 HydrophobicContact CZ-CG 4.02Å; F156-M169 HydrophobicContact CZ-SD 3.95Å; M169-I171 HydrophobicContact CB-CG2 4.47Å; M169-I171 HydrophobicContact CE-CG2 4.01Å; M169-I171 HydrophobicContact CG-CG2 3.99Å; M169-I171 PolarHBondContact O-N 3.39Å; M169-P190 HydrophobicContact CG-CB 4.06Å; M169-P190 HydrophobicContact SD-CB 3.61Å; M169-S202 PolarHBondContact N-O 3.12Å; M169-S202 PolarHBondContact O-N 3.28Å; M169-S202 PolarHBondContact O-OG 3.18Å; M169-V236 HydrophobicContact CE-CG1 3.75Å; M169-I240 HydrophobicContact CE-CB 4.48Å; M169-I240 HydrophobicContact SD-CG2 4.4Å
170S95.5Very high88.9Confident37 Ų3755.4 Ų55.426%0.25927%0.273SS..  trans-72.6122.4169.7-77.80000109.6P190 I191 R200S170-P190 CarbonylContact O-C 3.56Å; S170-I191 PolarHBondContact O-N 3.48Å; S170-R200 WeakPolarHBondContact CA-O 3.39Å
171I95.1Very high88.8Confident9 Ų954.8 Ų54.85%0.04628%0.277CS..EExtended strand (participates in β ladder)trans-118.5135.5-178.167.2-177.3000111.1M169 I188 V189 P199 R200 R230 Q233 V236M169-I171 HydrophobicContact CB-CG2 4.47Å; M169-I171 HydrophobicContact CE-CG2 4.01Å; M169-I171 HydrophobicContact CG-CG2 3.99Å; M169-I171 PolarHBondContact O-N 3.39Å; I171-I188 HydrophobicContact CB-CG2 3.77Å; I171-I188 HydrophobicContact CD1-CG2 3.72Å; I171-I188 HydrophobicContact CG1-CG2 3.92Å; I171-V189 WeakPolarHBondContact CA-O 3.46Å; I171-P199 WeakPolarHBondContact O-CA 3.29Å; I171-R200 PolarHBondContact N-O 2.87Å; I171-R200 PolarHBondContact O-N 2.88Å; I171-R230 HydrophobicContact CD1-CB 3.77Å; I171-R230 HydrophobicContact CD1-CG 4.42Å; I171-R230 HydrophobicContact CG1-CB 4.2Å; I171-R230 HydrophobicContact CG1-CG 4.47Å; I171-Q233 HydrophobicContact CD1-CB 4.06Å; I171-Q233 HydrophobicContact CD1-CG 4.23Å; I171-V236 HydrophobicContact CG2-CG1 4.15Å
172G95.4Very high88.9Confident3 Ų354.5 Ų54.53%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-125.3-171.2177.300000110.9I188 V189 C196G172-I188 VanDerWaalsContact O-CA 3.26Å; G172-I188 WeakPolarHBondContact O-CA 3.42Å; G172-I188 WeakPolarHBondContact O-CG2 3.45Å; G172-V189 PolarHBondContact N-O 3.21Å; G172-V189 PolarHBondContact O-N 2.89Å; G172-C196 WeakPolarHBondContact CA-SG 3.4Å; G172-C196 PolarHBondContact N-SG 3.45Å
173S94.8Very high89.1Confident14 Ų1456.6 Ų56.610%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-106.9148.6-179.3600000113K186 I187 Y197S173-K186 WeakPolarHBondContact OG-CE 3.32Å; S173-I187 WeakPolarHBondContact CA-O 3.3Å; S173-Y197 PolarHBondContact N-O 2.81Å; S173-Y197 WeakPolarHBondContact O-CA 3.43Å; S173-Y197 WeakPolarHBondContact O-CB 3.11Å; S173-Y197 PolarHBondContact O-N 3.43Å; S173-Y197 PolarHBondContact OG-O 2.75Å
174F91.3Very high89.2Confident22 Ų2263.1 Ų63.110%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-133.8142.4173.9170-133000109.2Y176 K186 I187 V189 H193 E195F174-Y176 AromaticContact CE1-CD2 3.78Å; F174-Y176 HydrophobicContact CE1-CD2 3.78Å; F174-Y176 HydrophobicContact CZ-CD2 4.4Å; F174-Y176 PolarHBondContact O-N 3Å; F174-K186 WeakPolarHBondContact O-CA 3.49Å; F174-I187 HydrophobicContact CB-CG1 4.18Å; F174-I187 HydrophobicContact CD1-CD1 3.83Å; F174-I187 HydrophobicContact CD1-CG1 3.96Å; F174-I187 HydrophobicContact CE1-CD1 4.45Å; F174-I187 HydrophobicContact CG-CG1 4.45Å; F174-I187 PolarHBondContact N-O 2.82Å; F174-I187 WeakPolarHBondContact O-CG1 3.29Å; F174-I187 PolarHBondContact O-N 2.87Å; F174-V189 HydrophobicContact CB-CB 4.41Å; F174-V189 HydrophobicContact CB-CG1 3.8Å; F174-V189 HydrophobicContact CB-CG2 3.66Å; F174-V189 HydrophobicContact CD1-CG1 4.1Å; F174-V189 HydrophobicContact CG-CG1 4.41Å; F174-H193 AromaticContact CD1-CE1 3.82Å; F174-H193 AromaticContact CD1-NE2 3.79Å; F174-H193 AromaticContact CE1-CE1 3.81Å; F174-H193 AromaticContact CE1-NE2 3.77Å; F174-H193 AromaticContact CG-CE1 4Å; F174-E195 HydrophobicContact CD2-CB 3.58Å; F174-E195 HydrophobicContact CE2-CB 3.69Å; F174-E195 HydrophobicContact CE2-CG 4.16Å; F174-E195 WeakPolarHBondContact CE2-OE1 3.25Å; F174-E195 WeakPolarHBondContact CE2-OE2 3.42Å; F174-E195 WeakPolarHBondContact CZ-OE2 3.39Å
175R90.8Very high89.1Confident191 Ų19164.6 Ų64.672%0.72132%0.322SS*.EExtended strand (participates in β ladder)trans-9791.6179.9-174.5-176.9-63.6-1590.7108.7
176Y86.3Confident89Confident30 Ų3069.8 Ų69.812%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-81.4139.8-179.9-172-105.7000112F174 W178 K184 Q185 I187 R255F174-Y176 AromaticContact CE1-CD2 3.78Å; F174-Y176 HydrophobicContact CE1-CD2 3.78Å; F174-Y176 HydrophobicContact CZ-CD2 4.4Å; F174-Y176 PolarHBondContact O-N 3Å; Y176-W178 AromaticContact CD1-CD2 3.96Å; Y176-W178 HydrophobicContact CD1-CD2 3.96Å; Y176-W178 HydrophobicContact CD1-CE3 4.47Å; Y176-W178 HydrophobicContact CD1-CG 4.09Å; Y176-W178 AromaticContact CE1-CD2 3.75Å; Y176-W178 HydrophobicContact CE1-CD2 3.75Å; Y176-W178 AromaticContact CE1-CE3 3.83Å; Y176-W178 HydrophobicContact CE1-CE3 3.83Å; Y176-W178 HydrophobicContact CE1-CG 4.07Å; Y176-W178 HydrophobicContact CE1-CZ3 4.32Å; Y176-K184 WeakPolarHBondContact O-CA 3.45Å; Y176-Q185 PolarHBondContact N-O 3.5Å; Y176-Q185 PolarHBondContact O-N 3.26Å; Y176-I187 HydrophobicContact CD2-CD1 4.31Å; Y176-I187 HydrophobicContact CG-CD1 4Å; Y176-R255 WeakPolarHBondContact CE2-O 3.47Å; Y176-R255 PolarHBondContact OH-O 2.94Å
177L85.8Confident88.9Confident99 Ų9967.2 Ų67.252%0.51833%0.332SS..EExtended strand (participates in β ladder)trans-106.7112.1173.2-17868.8000108.6P179 G182 K184L177-P179 VanDerWaalsContact O-CD 3.3Å; L177-P179 WeakPolarHBondContact O-CD 3.19Å; L177-G182 WeakPolarHBondContact CD1-O 3.36Å; L177-K184 HydrophobicContact CD1-CG 3.73Å
178W80.8Confident88.9Confident58 Ų5867.7 Ų67.722%0.2234%0.335CS..  trans-69.3117.3179.7-72.698.1000110.8Y176 N180 T181 G182 R183Y176-W178 AromaticContact CD1-CD2 3.96Å; Y176-W178 HydrophobicContact CD1-CD2 3.96Å; Y176-W178 HydrophobicContact CD1-CE3 4.47Å; Y176-W178 HydrophobicContact CD1-CG 4.09Å; Y176-W178 AromaticContact CE1-CD2 3.75Å; Y176-W178 HydrophobicContact CE1-CD2 3.75Å; Y176-W178 AromaticContact CE1-CE3 3.83Å; Y176-W178 HydrophobicContact CE1-CE3 3.83Å; Y176-W178 HydrophobicContact CE1-CG 4.07Å; Y176-W178 HydrophobicContact CE1-CZ3 4.32Å; W178-N180 PolarHBondContact O-N 3.46Å; W178-T181 VanDerWaalsContact CB-OG1 3.25Å; W178-T181 WeakPolarHBondContact CB-OG1 3.44Å; W178-T181 PolarHBondContact O-N 2.87Å; W178-G182 WeakPolarHBondContact O-CA 3.38Å; W178-G182 PolarHBondContact O-N 2.84Å; W178-R183 HydrophobicContact CB-CB 4.36Å; W178-R183 VanDerWaalsContact CD1-O 3.23Å; W178-R183 PolarHBondContact N-O 2.88Å
179P77.5Confident88.6Confident88 Ų8862.6 Ų62.657%0.57131%0.311SS*.THydrogen-bonded Turntrans-56.4-45.7-171.4-27.534.4000113.9L177 T181L177-P179 VanDerWaalsContact O-CD 3.3Å; L177-P179 WeakPolarHBondContact O-CD 3.19Å; P179-T181 PolarHBondContact O-N 3.11Å
180N78.6Confident88.6Confident143 Ų14362.5 Ų62.577%0.76531%0.311SS*.THydrogen-bonded Turntrans-77.8-20.4-173.6-63.8-0.5000114W178W178-N180 PolarHBondContact O-N 3.46Å
181T84Confident88.4Confident103 Ų10365.2 Ų65.263%0.63232%0.321SS*.THydrogen-bonded Turntrans-117.6-12.1-173.961.70000113.3W178 P179 R183W178-T181 VanDerWaalsContact CB-OG1 3.25Å; W178-T181 WeakPolarHBondContact CB-OG1 3.44Å; W178-T181 PolarHBondContact O-N 2.87Å; P179-T181 PolarHBondContact O-N 3.11Å; T181-R183 PolarHBondContact O-N 3.3Å; T181-R183 VanDerWaalsContact OG1-CB 3.25Å; T181-R183 WeakPolarHBondContact OG1-CB 3.06Å; T181-R183 PolarHBondContact OG1-N 2.89Å
182G84.8Confident87.9Confident46 Ų4668.7 Ų68.747%0.47434%0.343SS..  trans61.56.5-16900000113.7L177 W178 K184L177-G182 WeakPolarHBondContact CD1-O 3.36Å; W178-G182 WeakPolarHBondContact O-CA 3.38Å; W178-G182 PolarHBondContact O-N 2.84Å; G182-K184 PolarHBondContact O-N 3.05Å
183R86.9Confident87.5Confident160 Ų16068.7 Ų68.760%0.60434%0.342SS*.  trans-67.9128.8-176.9-178.5-179.4174.6178.1-1109.1W178 T181W178-R183 HydrophobicContact CB-CB 4.36Å; W178-R183 VanDerWaalsContact CD1-O 3.23Å; W178-R183 PolarHBondContact N-O 2.88Å; T181-R183 PolarHBondContact O-N 3.3Å; T181-R183 VanDerWaalsContact OG1-CB 3.25Å; T181-R183 WeakPolarHBondContact OG1-CB 3.06Å; T181-R183 PolarHBondContact OG1-N 2.89Å
184K89.1Confident87.1Confident150 Ų15072.2 Ų72.265%0.65236%0.364SS*.EExtended strand (participates in β ladder)trans-85.8126.1169.9-65.5177.9-176.9176.90109.5Y176 L177 G182Y176-K184 WeakPolarHBondContact O-CA 3.45Å; L177-K184 HydrophobicContact CD1-CG 3.73Å; G182-K184 PolarHBondContact O-N 3.05Å
185Q88.2Confident87Confident36 Ų3676 Ų7617%0.16838%0.383CS..EExtended strand (participates in β ladder)trans-132.3131.8177-177.6170.8-10.100111Y176 I187Y176-Q185 PolarHBondContact N-O 3.5Å; Y176-Q185 PolarHBondContact O-N 3.26Å; Q185-I187 HydrophobicContact CG-CG2 3.96Å; Q185-I187 PolarHBondContact O-N 2.77Å
186K91.3Very high87.1Confident111 Ų11168 Ų6848%0.48336%0.356SS..EExtended strand (participates in β ladder)trans-76.7112.2168.3-173.5175.8-174.5173.70109S173 F174S173-K186 WeakPolarHBondContact OG-CE 3.32Å; F174-K186 WeakPolarHBondContact O-CA 3.49Å
187I90.8Very high87.5Confident1 Ų172.6 Ų72.61%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-109.8174.8173.862.3173.9000110.2S173 F174 Y176 Q185 V189 T251 P256S173-I187 WeakPolarHBondContact CA-O 3.3Å; F174-I187 HydrophobicContact CB-CG1 4.18Å; F174-I187 HydrophobicContact CD1-CD1 3.83Å; F174-I187 HydrophobicContact CD1-CG1 3.96Å; F174-I187 HydrophobicContact CE1-CD1 4.45Å; F174-I187 HydrophobicContact CG-CG1 4.45Å; F174-I187 PolarHBondContact N-O 2.82Å; F174-I187 WeakPolarHBondContact O-CG1 3.29Å; F174-I187 PolarHBondContact O-N 2.87Å; Y176-I187 HydrophobicContact CD2-CD1 4.31Å; Y176-I187 HydrophobicContact CG-CD1 4Å; Q185-I187 HydrophobicContact CG-CG2 3.96Å; Q185-I187 PolarHBondContact O-N 2.77Å; I187-V189 HydrophobicContact CD1-CG1 4.39Å; I187-V189 HydrophobicContact CG1-CG1 4.37Å; I187-T251 HydrophobicContact CG2-CG2 4.32Å; I187-P256 HydrophobicContact CD1-CB 3.33Å; I187-P256 HydrophobicContact CD1-CG 3.58Å
188I93.1Very high88.1Confident12 Ų1276.2 Ų76.26%0.06238%0.381CS..EExtended strand (participates in β ladder)trans-119.4132-175.4-56.9-65000108.1I171 G172 R231 H232 V236 Y252I171-I188 HydrophobicContact CB-CG2 3.77Å; I171-I188 HydrophobicContact CD1-CG2 3.72Å; I171-I188 HydrophobicContact CG1-CG2 3.92Å; G172-I188 VanDerWaalsContact O-CA 3.26Å; G172-I188 WeakPolarHBondContact O-CA 3.42Å; G172-I188 WeakPolarHBondContact O-CG2 3.45Å; I188-R231 HydrophobicContact CD1-CB 4.16Å; I188-R231 HydrophobicContact CD1-CG 4.29Å; I188-R231 HydrophobicContact CG1-CB 4.28Å; I188-R231 HydrophobicContact CG1-CG 4.11Å; I188-R231 WeakPolarHBondContact CG1-O 3.38Å; I188-H232 HydrophobicContact CB-CB 4.38Å; I188-H232 HydrophobicContact CG1-CB 4.11Å; I188-V236 HydrophobicContact CB-CG2 3.97Å; I188-V236 HydrophobicContact CG2-CG2 3.97Å; I188-Y252 WeakPolarHBondContact CB-OH 3.34Å; I188-Y252 PolarHBondContact N-OH 2.78Å; I188-Y252 VanDerWaalsContact N-OH 3.15Å; I188-Y252 VanDerWaalsContact O-CE1 3.28Å; I188-Y252 WeakPolarHBondContact O-CE1 3.43Å
189V90.7Very high88.8Confident0 Ų076 Ų760%039%0.386CS..EExtended strand (participates in β ladder)trans-137.8154.9-172.3-61.90000109.4I171 G172 F174 I187 H193 C196 F257I171-V189 WeakPolarHBondContact CA-O 3.46Å; G172-V189 PolarHBondContact N-O 3.21Å; G172-V189 PolarHBondContact O-N 2.89Å; F174-V189 HydrophobicContact CB-CB 4.41Å; F174-V189 HydrophobicContact CB-CG1 3.8Å; F174-V189 HydrophobicContact CB-CG2 3.66Å; F174-V189 HydrophobicContact CD1-CG1 4.1Å; F174-V189 HydrophobicContact CG-CG1 4.41Å; I187-V189 HydrophobicContact CD1-CG1 4.39Å; I187-V189 HydrophobicContact CG1-CG1 4.37Å; V189-H193 HydrophobicContact CB-CB 3.77Å; V189-H193 HydrophobicContact CG2-CB 3.64Å; V189-C196 HydrophobicContact CG2-CB 3.96Å; V189-F257 HydrophobicContact CB-CE1 4.19Å; V189-F257 HydrophobicContact CG1-CE1 3.72Å; V189-F257 HydrophobicContact CG1-CZ 4.17Å
190P90.7Very high89.8Confident0 Ų079.2 Ų79.20%039%0.387CS..EExtended strand (participates in β ladder)trans-66.9162.9175.430.2-37.6000111.4F156 M169 S170 T192 H193 C196 I240 Y264F156-P190 HydrophobicContact CE2-CB 4.47Å; F156-P190 HydrophobicContact CZ-CB 4.21Å; M169-P190 HydrophobicContact CG-CB 4.06Å; M169-P190 HydrophobicContact SD-CB 3.61Å; S170-P190 CarbonylContact O-C 3.56Å; P190-T192 WeakPolarHBondContact CB-OG1 3.41Å; P190-T192 VanDerWaalsContact CG-OG1 3.29Å; P190-T192 WeakPolarHBondContact CG-OG1 3.47Å; P190-T192 PolarHBondContact O-N 2.99Å; P190-H193 VanDerWaalsContact O-CB 3.3Å; P190-H193 WeakPolarHBondContact O-CB 3.49Å; P190-H193 PolarHBondContact O-N 3.16Å; P190-C196 WeakPolarHBondContact O-CB 3.5Å; P190-C196 PolarHBondContact O-SG 3.01Å; P190-I240 HydrophobicContact CG-CD1 4.24Å; P190-I240 HydrophobicContact CG-CG2 4.32Å; P190-Y264 HydrophobicContact CG-CE1 3.97Å
191I90.7Very high90.6Very high93 Ų9377.1 Ų77.148%0.47737%0.373SS..THydrogen-bonded Turntrans-58.4-24.4172.6-169.2165.2000113.1S170 H193 P199S170-I191 PolarHBondContact O-N 3.48Å; I191-H193 PolarHBondContact O-N 2.78Å; I191-P199 HydrophobicContact CB-CB 4.19Å; I191-P199 HydrophobicContact CD1-CB 4.16Å; I191-P199 HydrophobicContact CD1-CG 3.88Å; I191-P199 HydrophobicContact CG1-CB 4.17Å; I191-P199 HydrophobicContact CG1-CG 4.05Å
192T85.5Confident91.2Very high82 Ų8272.2 Ų72.250%0.50334%0.343SS..THydrogen-bonded Turntrans-70.1-13.8174.850.90000113.4F156 P190F156-T192 HydrophobicContact CZ-CG2 3.76Å; P190-T192 WeakPolarHBondContact CB-OG1 3.41Å; P190-T192 VanDerWaalsContact CG-OG1 3.29Å; P190-T192 WeakPolarHBondContact CG-OG1 3.47Å; P190-T192 PolarHBondContact O-N 2.99Å
193H86.1Confident91.8Very high3 Ų371.7 Ų71.71%0.01433%0.329CS..SBendtrans-71.8128171.5-165.4-73.3000109.7F174 V189 P190 I191 E195 C196 Y264F174-H193 AromaticContact CD1-CE1 3.82Å; F174-H193 AromaticContact CD1-NE2 3.79Å; F174-H193 AromaticContact CE1-CE1 3.81Å; F174-H193 AromaticContact CE1-NE2 3.77Å; F174-H193 AromaticContact CG-CE1 4Å; V189-H193 HydrophobicContact CB-CB 3.77Å; V189-H193 HydrophobicContact CG2-CB 3.64Å; P190-H193 VanDerWaalsContact O-CB 3.3Å; P190-H193 WeakPolarHBondContact O-CB 3.49Å; P190-H193 PolarHBondContact O-N 3.16Å; I191-H193 PolarHBondContact O-N 2.78Å; H193-E195 VanDerWaalsContact C-N 3.29Å; H193-E195 PolarHBondContact ND1-N 3.27Å; H193-E195 VanDerWaalsContact ND1-N 3.12Å; H193-E195 PolarHBondContact O-N 2.83Å; H193-C196 HydrophobicContact CB-CB 4.11Å; H193-C196 WeakPolarHBondContact O-CB 3.28Å; H193-C196 PolarHBondContact O-N 3.47Å; H193-Y264 WeakPolarHBondContact CA-OH 3.5Å; H193-Y264 WeakPolarHBondContact CB-OH 3.41Å; H193-Y264 AromaticContact CD2-CE2 3.89Å; H193-Y264 AromaticContact CD2-CZ 3.86Å; H193-Y264 PolarHBondContact CD2-OH 2.9Å
194P87.2Confident92.3Very high88 Ų8864.1 Ų64.157%0.57130%0.3SS*.THydrogen-bonded Turntrans-60.9-36-176.624.8-33000112.5C196 I262P194-C196 VanDerWaalsContact C-N 3.31Å; P194-C196 PolarHBondContact O-N 2.81Å; P194-I262 HydrophobicContact CG-CD1 3.61Å; P194-I262 HydrophobicContact CG-CG1 4.04Å
195E89.3Confident92.7Very high103 Ų10357.9 Ų57.948%0.48128%0.275SS..THydrogen-bonded Turntrans-91.119.7175.8-56.1-175.47700114F174 H193 Y197F174-E195 HydrophobicContact CD2-CB 3.58Å; F174-E195 HydrophobicContact CE2-CB 3.69Å; F174-E195 HydrophobicContact CE2-CG 4.16Å; F174-E195 WeakPolarHBondContact CE2-OE1 3.25Å; F174-E195 WeakPolarHBondContact CE2-OE2 3.42Å; F174-E195 WeakPolarHBondContact CZ-OE2 3.39Å; H193-E195 VanDerWaalsContact C-N 3.29Å; H193-E195 PolarHBondContact ND1-N 3.27Å; H193-E195 VanDerWaalsContact ND1-N 3.12Å; H193-E195 PolarHBondContact O-N 2.83Å; E195-Y197 PolarHBondContact O-N 3.37Å
196C91.6Very high93.1Very high23 Ų2356.2 Ų56.216%0.15527%0.267CS..  trans-67115.2178-171.30000111.4G172 V189 P190 H193 P194G172-C196 WeakPolarHBondContact CA-SG 3.4Å; G172-C196 PolarHBondContact N-SG 3.45Å; V189-C196 HydrophobicContact CG2-CB 3.96Å; P190-C196 WeakPolarHBondContact O-CB 3.5Å; P190-C196 PolarHBondContact O-SG 3.01Å; H193-C196 HydrophobicContact CB-CB 4.11Å; H193-C196 WeakPolarHBondContact O-CB 3.28Å; H193-C196 PolarHBondContact O-N 3.47Å; P194-C196 VanDerWaalsContact C-N 3.31Å; P194-C196 PolarHBondContact O-N 2.81Å
197Y95.6Very high93.2Very high125 Ų12551 Ų5149%0.4924%0.244SC..EExtended strand (participates in β ladder)trans-102.5125.4-179.1-176.4-107.5000112.6S173 E195S173-Y197 PolarHBondContact N-O 2.81Å; S173-Y197 WeakPolarHBondContact O-CA 3.43Å; S173-Y197 WeakPolarHBondContact O-CB 3.11Å; S173-Y197 PolarHBondContact O-N 3.43Å; S173-Y197 PolarHBondContact OG-O 2.75Å; E195-Y197 PolarHBondContact O-N 3.37Å
198R96.9Very high93.3Very high176 Ų17650.9 Ų50.966%0.66424%0.244SC*.EExtended strand (participates in β ladder)trans52.161.5177.9-68.2-177.6170.3148.8-1.3112.9
199P96.4Very high93.2Very high53 Ų5351.4 Ų51.434%0.34425%0.247SC..EExtended strand (participates in β ladder)trans-60146.4175.528-34.9000111I171 I191I171-P199 WeakPolarHBondContact O-CA 3.29Å; I191-P199 HydrophobicContact CB-CB 4.19Å; I191-P199 HydrophobicContact CD1-CB 4.16Å; I191-P199 HydrophobicContact CD1-CG 3.88Å; I191-P199 HydrophobicContact CG1-CB 4.17Å; I191-P199 HydrophobicContact CG1-CG 4.05Å
200R97.5Very high93Very high156 Ų15652.3 Ų52.359%0.58925%0.251SS*.EExtended strand (participates in β ladder)trans-135.2143.5172.2-65.3-176.8178.7-172.8-3.6108.9S170 I171 S202S170-R200 WeakPolarHBondContact CA-O 3.39Å; I171-R200 PolarHBondContact N-O 2.87Å; I171-R200 PolarHBondContact O-N 2.88Å; R200-S202 PolarHBondContact O-N 2.92Å
201E96.7Very high92.9Very high98 Ų9852.3 Ų52.346%0.45825%0.251SS..  trans-57.1138.8175.3-163.7-178.2-167.300111.3Q168 L203 R230Q168-E201 PolarHBondContact NE2-OE1 2.85Å; E201-L203 HydrophobicContact CG-CD1 3.75Å; E201-R230 PolarHBondContact O-NE 3.45Å; E201-R230 VanDerWaalsContact O-NE 3.1Å; E201-R230 PolarHBondContact O-NH2 2.9Å
202S97.2Very high92.8Very high0 Ų047.9 Ų47.90%023%0.229CC..  trans-146.8136.3175.367.90000112M169 R200 T228 H237M169-S202 PolarHBondContact N-O 3.12Å; M169-S202 PolarHBondContact O-N 3.28Å; M169-S202 PolarHBondContact O-OG 3.18Å; R200-S202 PolarHBondContact O-N 2.92Å; S202-T228 VanDerWaalsContact CA-OG1 3.22Å; S202-T228 WeakPolarHBondContact CA-OG1 3.36Å; S202-T228 WeakPolarHBondContact CB-OG1 3.41Å; S202-H237 PolarHBondContact O-CE1 3.13Å; S202-H237 PolarHBondContact OG-NE2 3.24Å
203L97Very high93Very high35 Ų3546.1 Ų46.118%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-129.7136.1-175.4-66.387.6000110I167 Q168 E201 E227 T228 Q233I167-L203 WeakPolarHBondContact O-CA 3.42Å; Q168-L203 HydrophobicContact CB-CG 4.37Å; Q168-L203 HydrophobicContact CG-CD2 4.33Å; Q168-L203 HydrophobicContact CG-CG 4.05Å; E201-L203 HydrophobicContact CG-CD1 3.75Å; L203-E227 HydrophobicContact CB-CB 4.23Å; L203-E227 PolarHBondContact O-N 3.08Å; L203-E227 VanDerWaalsContact O-N 3.13Å; L203-T228 HydrophobicContact CD1-CG2 4.45Å; L203-T228 PolarHBondContact N-OG1 3.39Å; L203-Q233 PolarHBondContact O-NE2 2.64Å
204T97.7Very high93.1Very high1 Ų146 Ų461%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-141.7129.1174.3-51.50000109.3I167 V206 L224 P226 Q233 L234 H237I167-T204 PolarHBondContact N-O 2.77Å; I167-T204 PolarHBondContact O-N 3.02Å; T204-V206 HydrophobicContact CG2-CG2 4.5Å; T204-L224 HydrophobicContact CG2-CB 4.23Å; T204-L224 HydrophobicContact CG2-CD2 4.15Å; T204-P226 HydrophobicContact CG2-CB 4.49Å; T204-Q233 PolarHBondContact OG1-NE2 2.89Å; T204-L234 HydrophobicContact CG2-CD2 3.5Å; T204-L234 VanDerWaalsContact CG2-CD2 3.5Å; T204-H237 VanDerWaalsContact CB-ND1 3.25Å; T204-H237 WeakPolarHBondContact CB-ND1 3.37Å; T204-H237 PolarHBondContact OG1-CE1 2.95Å; T204-H237 PolarHBondContact OG1-ND1 2.87Å
205T97.1Very high93.1Very high20 Ų2044.1 Ų44.112%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-88.6132.7166-580000109.1V164 H166 I207 I225V164-T205 HydrophobicContact CG1-CG2 4.08Å; H166-T205 PolarHBondContact ND1-OG1 2.86Å; H166-T205 VanDerWaalsContact ND1-OG1 3.07Å; T205-I207 HydrophobicContact CG2-CG1 4.33Å; T205-I225 PolarHBondContact N-O 3.38Å; T205-I225 PolarHBondContact O-N 2.88Å
206V95.5Very high92.9Very high0 Ų041.5 Ų41.50%020%0.199CC..EExtended strand (participates in β ladder)trans-113.5128.8178-173.60000107.9V164 H165 I167 T204 I222 L223 L224 L242V164-V206 WeakPolarHBondContact CA-O 3.45Å; H165-V206 HydrophobicContact CB-CB 4.36Å; H165-V206 PolarHBondContact N-O 2.76Å; H165-V206 PolarHBondContact O-N 3.39Å; I167-V206 HydrophobicContact CD1-CG2 3.58Å; I167-V206 HydrophobicContact CG1-CG2 4.06Å; T204-V206 HydrophobicContact CG2-CG2 4.5Å; V206-I222 HydrophobicContact CG1-CB 4.05Å; V206-I222 HydrophobicContact CG1-CD1 3.91Å; V206-I222 HydrophobicContact CG1-CG1 4.49Å; V206-I222 HydrophobicContact CG1-CG2 4.23Å; V206-L223 WeakPolarHBondContact CA-O 3.26Å; V206-L224 HydrophobicContact CB-CD2 4.24Å; V206-L224 HydrophobicContact CG1-CD2 4.01Å; V206-L224 HydrophobicContact CG2-CD2 3.63Å; V206-L242 HydrophobicContact CG1-CD2 4.19Å
207I94.4Very high92.7Very high1 Ų143.7 Ų43.71%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-120.7124.3174-48-176.6000108L163 V164 T205 I222 L223 I225 Y364L163-I207 CarbonylContact O-C 3.47Å; L163-I207 VanDerWaalsContact O-CA 3.32Å; L163-I207 WeakPolarHBondContact O-CA 3Å; V164-I207 HydrophobicContact CG2-CG2 4.3Å; T205-I207 HydrophobicContact CG2-CG1 4.33Å; I207-I222 CarbonylContact O-C 3.46Å; I207-I222 VanDerWaalsContact O-CA 3.31Å; I207-I222 WeakPolarHBondContact O-CA 3.47Å; I207-L223 HydrophobicContact CB-CB 4.26Å; I207-L223 HydrophobicContact CD1-CD2 4.33Å; I207-L223 PolarHBondContact N-O 2.87Å; I207-L223 PolarHBondContact O-N 2.86Å; I207-I225 HydrophobicContact CD1-CD1 4.02Å; I207-Y364 HydrophobicContact CG2-CD1 4.21Å; I207-Y364 HydrophobicContact CG2-CE1 3.42Å; I207-Y364 VanDerWaalsContact CG2-CE1 3.42Å
208V92Very high92.4Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-74.8128.5173179.60000109.8V144 L163 Y211 T220 I222 Y364V144-V208 HydrophobicContact CB-CG2 3.99Å; V144-V208 HydrophobicContact CG1-CG2 3.85Å; L163-V208 HydrophobicContact CB-CB 4.44Å; L163-V208 HydrophobicContact CD2-CB 3.87Å; L163-V208 HydrophobicContact CD2-CG1 4.14Å; L163-V208 PolarHBondContact O-N 2.8Å; V208-Y211 HydrophobicContact CG1-CE1 3.92Å; V208-Y211 HydrophobicContact CG1-CE2 4.01Å; V208-Y211 WeakPolarHBondContact CG1-OH 3.38Å; V208-T220 HydrophobicContact CB-CG2 4.27Å; V208-T220 HydrophobicContact CG1-CG2 3.38Å; V208-T220 HydrophobicContact CG2-CG2 4.09Å; V208-I222 HydrophobicContact CG2-CG2 4.24Å; V208-Y364 WeakPolarHBondContact O-CE1 3.42Å; V208-Y364 PolarHBondContact O-OH 3.03Å
209L90.7Very high92.1Very high23 Ų2331 Ų3112%0.1216%0.162CC..EExtended strand (participates in β ladder)trans-101.8-41.5179.6-58.1179.2000111.9L137 H221 L223 M349 L361 Y364L137-L209 HydrophobicContact CD2-CD1 3.6Å; L209-H221 WeakPolarHBondContact CA-O 3.17Å; L209-H221 HydrophobicContact CB-CB 4.49Å; L209-H221 WeakPolarHBondContact CB-O 3.08Å; L209-H221 PolarHBondContact N-O 3.31Å; L209-L223 HydrophobicContact CD1-CB 4.1Å; L209-L223 HydrophobicContact CD2-CB 4.14Å; L209-L223 HydrophobicContact CG-CB 4.19Å; L209-M349 WeakPolarHBondContact O-CE 3.03Å; L209-L361 HydrophobicContact CD1-CD1 3.82Å; L209-L361 HydrophobicContact CD2-CD1 3.52Å; L209-L361 HydrophobicContact CG-CD1 4.33Å; L209-Y364 HydrophobicContact CD2-CD1 3.68Å; L209-Y364 HydrophobicContact CD2-CE1 3.69Å
210D87.8Confident91.8Very high18 Ų1828.5 Ų28.510%0.09615%0.146CC..EExtended strand (participates in β ladder)trans-161.1150.2-174-155.815.5000111.5T220 H221 W339 K341D210-T220 WeakPolarHBondContact O-CG2 3.41Å; D210-H221 HydrophobicContact CB-CB 3.97Å; D210-H221 PolarHBondContact N-O 3.5Å; D210-H221 PolarHBondContact O-N 3.47Å; D210-W339 HydrophobicContact CB-CZ2 4.26Å; D210-K341 IonicContact OD1-NZ 3.9Å; D210-K341 PolarHBondContact OD1-NZ 3.32Å; D210-K341 WeakPolarHBondContact OD2-CE 3.45Å; D210-K341 IonicContact OD2-NZ 2.79Å; D210-K341 PolarHBondContact OD2-NZ 2.96Å
211Y88.9Confident91.5Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-105.9154.3168.1-64.6-67.5000110.3Y143 V144 V208 T220 W339 S345 M348 M349 M352Y143-Y211 AromaticContact CD1-CD1 3.77Å; Y143-Y211 HydrophobicContact CD1-CD1 3.77Å; Y143-Y211 HydrophobicContact CD1-CG 4.34Å; Y143-Y211 HydrophobicContact CG-CD1 4.28Å; V144-Y211 WeakPolarHBondContact O-CE1 3.44Å; V144-Y211 PolarHBondContact O-OH 3.37Å; V208-Y211 HydrophobicContact CG1-CE1 3.92Å; V208-Y211 HydrophobicContact CG1-CE2 4.01Å; V208-Y211 WeakPolarHBondContact CG1-OH 3.38Å; Y211-T220 HydrophobicContact CD1-CG2 3.8Å; Y211-T220 WeakPolarHBondContact CD1-OG1 3.11Å; Y211-T220 HydrophobicContact CE1-CG2 3.54Å; Y211-T220 VanDerWaalsContact CE1-OG1 3.31Å; Y211-T220 WeakPolarHBondContact CE1-OG1 2.95Å; Y211-W339 VanDerWaalsContact C-CZ2 3.5Å; Y211-W339 WeakPolarHBondContact O-CZ2 3.27Å; Y211-S345 WeakPolarHBondContact O-CB 3.34Å; Y211-M348 HydrophobicContact CD1-CE 4.39Å; Y211-M348 HydrophobicContact CD2-CB 4Å; Y211-M348 HydrophobicContact CG-CE 4.39Å; Y211-M349 HydrophobicContact CD2-CG 3.84Å; Y211-M349 HydrophobicContact CD2-SD 3.21Å; Y211-M349 WeakPolarHBondContact CD2-SD 3.33Å; Y211-M349 HydrophobicContact CE2-SD 3.61Å; Y211-M349 HydrophobicContact CG-SD 4.13Å; Y211-M352 HydrophobicContact CE1-CE 4.34Å; Y211-M352 HydrophobicContact CE2-CE 3.63Å; Y211-M352 HydrophobicContact CE2-CG 4.36Å; Y211-M352 HydrophobicContact CE2-SD 3.36Å; Y211-M352 WeakPolarHBondContact CE2-SD 3.39Å; Y211-M352 VanDerWaalsContact CZ-CE 3.45Å; Y211-M352 WeakPolarHBondContact OH-CE 3.37Å; Y211-M352 PolarHBondContact OH-SD 3.22Å
212G88.9Confident91.4Very high0 Ų017.4 Ų17.40%010%0.101CC..EExtended strand (participates in β ladder)trans-179.6-171.9174.200000111.9Y143 A219 Q340Y143-G212 WeakPolarHBondContact CE1-O 3.08Å; G212-A219 PolarHBondContact N-O 2.82Å; G212-A219 PolarHBondContact O-N 3.2Å; G212-Q340 CarbonylContact C-O 3.57Å; G212-Q340 WeakPolarHBondContact CA-O 3.48Å
213K88.4Confident91.3Very high46 Ų4617.4 Ų17.420%0.210%0.101CC..EExtended strand (participates in β ladder)trans-109.2132.3174.6-73.3175.7174.1152.30110.5E217 W339 Q340 D342 E344K213-E217 CarbonylContact C-O 3.48Å; K213-E217 WeakPolarHBondContact CA-O 3.44Å; K213-W339 WeakPolarHBondContact O-CA 3.4Å; K213-Q340 PolarHBondContact N-O 2.84Å; K213-Q340 PolarHBondContact O-N 3.17Å; K213-D342 WeakPolarHBondContact CD-OD2 3.4Å; K213-D342 WeakPolarHBondContact CE-OD2 3.4Å; K213-D342 IonicContact NZ-OD2 2.66Å; K213-D342 PolarHBondContact NZ-OD2 3.47Å; K213-E344 IonicContact NZ-OE2 2.89Å; K213-E344 PolarHBondContact NZ-OE2 3.04Å
214L87.9Confident91.3Very high0 Ų015.8 Ų15.80%09%0.092CC..EExtended strand (participates in β ladder)trans-108.4112.7174.5-174.671.2000108.3I139 W141 G216 E217 A219 A247 L280 Y337I139-L214 HydrophobicContact CG2-CD2 4.06Å; W141-L214 HydrophobicContact CE3-CD2 4.43Å; W141-L214 HydrophobicContact CH2-CB 4.18Å; W141-L214 HydrophobicContact CH2-CD2 3.57Å; W141-L214 HydrophobicContact CH2-CG 3.94Å; W141-L214 HydrophobicContact CZ2-CD2 3.97Å; W141-L214 HydrophobicContact CZ3-CB 3.77Å; W141-L214 HydrophobicContact CZ3-CD2 3.81Å; W141-L214 HydrophobicContact CZ3-CG 4.05Å; W141-L214 WeakPolarHBondContact CZ3-O 3.43Å; L214-G216 PolarHBondContact O-N 2.96Å; L214-E217 PolarHBondContact N-O 3.06Å; L214-E217 PolarHBondContact O-N 3.45Å; L214-E217 VanDerWaalsContact O-N 3.14Å; L214-A219 HydrophobicContact CB-CB 3.66Å; L214-A247 HydrophobicContact CD2-CB 3.55Å; L214-L280 HydrophobicContact CD2-CD1 4.31Å; L214-L280 HydrophobicContact CD2-CD2 4.37Å; L214-Y337 HydrophobicContact CD1-CG 4.26Å
215M86.8Confident91.3Very high49 Ų4917.3 Ų17.324%0.24110%0.1CC..THydrogen-bonded Turntrans52.135-173.4-56.7-178.2-70.600113.4W141 L276 K279 L280 Y337W141-M215 HydrophobicContact CH2-CE 3.72Å; W141-M215 HydrophobicContact CZ2-CE 4.19Å; M215-L276 HydrophobicContact CE-CB 3.66Å; M215-L276 HydrophobicContact CE-CD1 4.5Å; M215-L276 HydrophobicContact CE-CD2 4.08Å; M215-L276 HydrophobicContact CE-CG 4.28Å; M215-L276 HydrophobicContact SD-CD2 4.45Å; M215-K279 HydrophobicContact SD-CB 4.25Å; M215-L280 HydrophobicContact CE-CD1 4.38Å; M215-L280 HydrophobicContact CE-CD2 3.61Å; M215-L280 HydrophobicContact CE-CG 3.85Å; M215-L280 HydrophobicContact SD-CD2 4.21Å; M215-Y337 WeakPolarHBondContact CG-O 3.33Å; M215-Y337 PolarHBondContact N-O 2.98Å
216G86.5Confident91.3Very high48 Ų4816.8 Ų16.850%0.49510%0.097SC..THydrogen-bonded Turntrans88.2-10.4178.800000115.8L214L214-G216 PolarHBondContact O-N 2.96Å
217E87.2Confident91.3Very high68 Ų6821.9 Ų21.932%0.31812%0.121SC..EExtended strand (participates in β ladder)trans-99.2149.7177.8-64.6-66.6169.600111.7W141 K213 L214 A219 L276W141-E217 HydrophobicContact CE3-CB 4.22Å; W141-E217 HydrophobicContact CZ3-CB 3.84Å; K213-E217 CarbonylContact C-O 3.48Å; K213-E217 WeakPolarHBondContact CA-O 3.44Å; L214-E217 PolarHBondContact N-O 3.06Å; L214-E217 PolarHBondContact O-N 3.45Å; L214-E217 VanDerWaalsContact O-N 3.14Å; E217-A219 PolarHBondContact O-N 2.78Å; E217-L276 HydrophobicContact CB-CD1 4.2Å; E217-L276 HydrophobicContact CG-CD1 3.35Å
218P88.8Confident91.3Very high35 Ų3522.1 Ų22.123%0.22712%0.122CC..EExtended strand (participates in β ladder)trans-54.6136.3176.6-26.836.1000113G142 Y143G142-P218 PolarHBondContact N-O 3.37Å; Y143-P218 HydrophobicContact CD1-CB 3.91Å; Y143-P218 HydrophobicContact CD2-CB 4.07Å; Y143-P218 HydrophobicContact CE1-CB 3.76Å; Y143-P218 HydrophobicContact CE2-CB 3.93Å; Y143-P218 HydrophobicContact CE2-CG 4.27Å; Y143-P218 HydrophobicContact CG-CB 4.08Å
219A90.2Very high91.3Very high0 Ų025.1 Ų25.10%015%0.153CC..EExtended strand (participates in β ladder)trans-150.1158.9177.400000112.1I139 V140 G142 G212 L214 E217 W339I139-A219 HydrophobicContact CG2-CB 3.99Å; V140-A219 CarbonylContact O-C 3.23Å; V140-A219 VanDerWaalsContact O-CA 3.22Å; V140-A219 WeakPolarHBondContact O-CA 3.49Å; V140-A219 WeakPolarHBondContact O-CB 3.37Å; G142-A219 CarbonylContact O-C 3.58Å; G142-A219 WeakPolarHBondContact O-CA 3.45Å; G212-A219 PolarHBondContact N-O 2.82Å; G212-A219 PolarHBondContact O-N 3.2Å; L214-A219 HydrophobicContact CB-CB 3.66Å; E217-A219 PolarHBondContact O-N 2.78Å; A219-W339 HydrophobicContact CB-CZ3 3.82Å
220T90.5Very high91.6Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-127.6132177.2-52.70000110.7I139 V140 G142 Y143 V144 V208 D210 Y211 I222I139-T220 WeakPolarHBondContact CA-O 3.04Å; V140-T220 PolarHBondContact N-O 2.96Å; V140-T220 PolarHBondContact O-N 3.34Å; G142-T220 PolarHBondContact O-N 2.92Å; G142-T220 PolarHBondContact O-OG1 2.86Å; Y143-T220 WeakPolarHBondContact CA-OG1 3.36Å; V144-T220 HydrophobicContact CB-CG2 4.16Å; V144-T220 HydrophobicContact CG2-CG2 4.07Å; V144-T220 PolarHBondContact N-OG1 3.33Å; V208-T220 HydrophobicContact CB-CG2 4.27Å; V208-T220 HydrophobicContact CG1-CG2 3.38Å; V208-T220 HydrophobicContact CG2-CG2 4.09Å; D210-T220 WeakPolarHBondContact O-CG2 3.41Å; Y211-T220 HydrophobicContact CD1-CG2 3.8Å; Y211-T220 WeakPolarHBondContact CD1-OG1 3.11Å; Y211-T220 HydrophobicContact CE1-CG2 3.54Å; Y211-T220 VanDerWaalsContact CE1-OG1 3.31Å; Y211-T220 WeakPolarHBondContact CE1-OG1 2.95Å; T220-I222 HydrophobicContact CG2-CG2 3.56Å
221H91.7Very high91.9Very high22 Ų2231.6 Ų31.610%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-85.2123.1166.6-178.3-151.9000109.1A138 L209 D210 F331 W339A138-H221 PolarHBondContact O-CD2 3.12Å; L209-H221 WeakPolarHBondContact CA-O 3.17Å; L209-H221 HydrophobicContact CB-CB 4.49Å; L209-H221 WeakPolarHBondContact CB-O 3.08Å; L209-H221 PolarHBondContact N-O 3.31Å; D210-H221 HydrophobicContact CB-CB 3.97Å; D210-H221 PolarHBondContact N-O 3.5Å; D210-H221 PolarHBondContact O-N 3.47Å; H221-F331 AromaticContact CD2-CE1 3.96Å; H221-F331 AromaticContact NE2-CE1 3.53Å; H221-W339 HydrophobicContact CB-CH2 4.15Å; H221-W339 HydrophobicContact CB-CZ2 4.39Å
222I93.5Very high92.2Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-130.5152.6-174.764.7177.7000111.9A138 V140 V144 V206 I207 V208 T220 L224A138-I222 HydrophobicContact CB-CD1 4.3Å; A138-I222 HydrophobicContact CB-CG1 3.87Å; A138-I222 PolarHBondContact N-O 2.88Å; A138-I222 PolarHBondContact O-N 3.26Å; V140-I222 HydrophobicContact CB-CD1 4.42Å; V140-I222 HydrophobicContact CG1-CD1 3.48Å; V140-I222 VanDerWaalsContact CG1-CD1 3.48Å; V140-I222 HydrophobicContact CG1-CG1 4.31Å; V140-I222 HydrophobicContact CG2-CD1 4.03Å; V140-I222 HydrophobicContact CG2-CG2 4.25Å; V144-I222 HydrophobicContact CG2-CG2 4.45Å; V206-I222 HydrophobicContact CG1-CB 4.05Å; V206-I222 HydrophobicContact CG1-CD1 3.91Å; V206-I222 HydrophobicContact CG1-CG1 4.49Å; V206-I222 HydrophobicContact CG1-CG2 4.23Å; I207-I222 CarbonylContact O-C 3.46Å; I207-I222 VanDerWaalsContact O-CA 3.31Å; I207-I222 WeakPolarHBondContact O-CA 3.47Å; V208-I222 HydrophobicContact CG2-CG2 4.24Å; T220-I222 HydrophobicContact CG2-CG2 3.56Å; I222-L224 HydrophobicContact CD1-CD1 4.41Å; I222-L224 HydrophobicContact CD1-CD2 3.76Å; I222-L224 HydrophobicContact CD1-CG 4.1Å; I222-L224 HydrophobicContact CG1-CD2 4.39Å; I222-L224 HydrophobicContact CG1-CG 4.3Å
223L95.5Very high92.6Very high0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-100.5132.8164.9-172.372.8000109.5Y135 Y136 L137 V206 I207 L209 I225 I365Y135-L223 HydrophobicContact CD1-CD2 4.21Å; Y136-L223 CarbonylContact O-C 3.52Å; Y136-L223 WeakPolarHBondContact O-CA 3.49Å; L137-L223 HydrophobicContact CD2-CD1 3.78Å; V206-L223 WeakPolarHBondContact CA-O 3.26Å; I207-L223 HydrophobicContact CB-CB 4.26Å; I207-L223 HydrophobicContact CD1-CD2 4.33Å; I207-L223 PolarHBondContact N-O 2.87Å; I207-L223 PolarHBondContact O-N 2.86Å; L209-L223 HydrophobicContact CD1-CB 4.1Å; L209-L223 HydrophobicContact CD2-CB 4.14Å; L209-L223 HydrophobicContact CG-CB 4.19Å; L223-I225 HydrophobicContact CD2-CD1 4.16Å; L223-I225 HydrophobicContact CD2-CG1 4.27Å; L223-I225 HydrophobicContact CG-CG1 4.32Å; L223-I365 HydrophobicContact CD2-CD1 3.55Å; L223-I365 HydrophobicContact CD2-CG1 3.38Å
224L97.6Very high93Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-115.8126.8177.7-59.8166.5000109.9Y136 A138 T204 V206 I222 P226 L234 L285Y136-L224 PolarHBondContact N-O 2.9Å; Y136-L224 PolarHBondContact O-N 3.49Å; A138-L224 HydrophobicContact CB-CD1 3.82Å; T204-L224 HydrophobicContact CG2-CB 4.23Å; T204-L224 HydrophobicContact CG2-CD2 4.15Å; V206-L224 HydrophobicContact CB-CD2 4.24Å; V206-L224 HydrophobicContact CG1-CD2 4.01Å; V206-L224 HydrophobicContact CG2-CD2 3.63Å; I222-L224 HydrophobicContact CD1-CD1 4.41Å; I222-L224 HydrophobicContact CD1-CD2 3.76Å; I222-L224 HydrophobicContact CD1-CG 4.1Å; I222-L224 HydrophobicContact CG1-CD2 4.39Å; I222-L224 HydrophobicContact CG1-CG 4.3Å; L224-P226 WeakPolarHBondContact O-CD 3.38Å; L224-L234 HydrophobicContact CB-CD1 4.36Å; L224-L234 HydrophobicContact CB-CD2 3.96Å; L224-L234 HydrophobicContact CD1-CB 4.14Å; L224-L234 HydrophobicContact CD1-CD1 4.19Å; L224-L234 HydrophobicContact CD1-CD2 4.23Å; L224-L234 HydrophobicContact CD1-CG 4.42Å; L224-L285 HydrophobicContact CD1-CD1 3.81Å
225I97.5Very high93.3Very high33 Ų3331.6 Ų31.617%0.16918%0.175CC..EExtended strand (participates in β ladder)trans-120.590.3-179.4-49.2176000108.2Y135 T205 I207 L223 E227Y135-I225 HydrophobicContact CD1-CD1 3.97Å; Y135-I225 HydrophobicContact CD1-CG1 3.78Å; Y135-I225 HydrophobicContact CE1-CD1 3.81Å; Y135-I225 HydrophobicContact CE1-CG1 4.05Å; Y135-I225 HydrophobicContact CE1-CG2 4.33Å; T205-I225 PolarHBondContact N-O 3.38Å; T205-I225 PolarHBondContact O-N 2.88Å; I207-I225 HydrophobicContact CD1-CD1 4.02Å; L223-I225 HydrophobicContact CD2-CD1 4.16Å; L223-I225 HydrophobicContact CD2-CG1 4.27Å; L223-I225 HydrophobicContact CG-CG1 4.32Å; I225-E227 PolarHBondContact O-N 3.33Å
226P97.3Very high93.6Very high9 Ų929.2 Ų29.26%0.05816%0.164CC..EExtended strand (participates in β ladder)trans-82.3115.8-179.531.3-34.3000111.7K134 Y136 T204 L224 T228 L234K134-P226 HydrophobicContact CB-CG 4.46Å; K134-P226 PolarHBondContact NZ-O 2.94Å; K134-P226 WeakPolarHBondContact O-CD 3.47Å; Y136-P226 HydrophobicContact CD2-CG 4.02Å; Y136-P226 HydrophobicContact CE2-CG 3.75Å; T204-P226 HydrophobicContact CG2-CB 4.49Å; L224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-T228 VanDerWaalsContact C-N 3.26Å; P226-T228 WeakPolarHBondContact CB-O 3.49Å; P226-T228 PolarHBondContact O-N 2.6Å; P226-L234 HydrophobicContact CB-CD2 3.79Å; P226-L234 HydrophobicContact CG-CD1 4.4Å; P226-L234 HydrophobicContact CG-CD2 4.03Å
227E94.8Very high93.9Very high108 Ų10827 Ų2751%0.50514%0.14SC..SBendtrans-69.5-27.5172.1-63.1-174.6-163.800112.2L203 I225L203-E227 HydrophobicContact CB-CB 4.23Å; L203-E227 PolarHBondContact O-N 3.08Å; L203-E227 VanDerWaalsContact O-N 3.13Å; I225-E227 PolarHBondContact O-N 3.33Å
228T94.9Very high94.1Very high5 Ų523.7 Ų23.73%0.03113%0.125CC..SBendtrans-106.9172.9173.457.30000111.9K134 S202 L203 P226 Q233K134-T228 PolarHBondContact NZ-O 2.7Å; S202-T228 VanDerWaalsContact CA-OG1 3.22Å; S202-T228 WeakPolarHBondContact CA-OG1 3.36Å; S202-T228 WeakPolarHBondContact CB-OG1 3.41Å; L203-T228 HydrophobicContact CD1-CG2 4.45Å; L203-T228 PolarHBondContact N-OG1 3.39Å; P226-T228 VanDerWaalsContact C-N 3.26Å; P226-T228 WeakPolarHBondContact CB-O 3.49Å; P226-T228 PolarHBondContact O-N 2.6Å; T228-Q233 PolarHBondContact O-OE1 3.32Å; T228-Q233 PolarHBondContact OG1-NE2 3.47Å; T228-Q233 PolarHBondContact OG1-OE1 3.47Å
229G92.8Very high94.1Very high64 Ų6422.1 Ų22.166%0.6612%0.115SC*.  trans-127.842.1-178.700000113.1
230R95.4Very high93.9Very high92 Ų9222.7 Ų22.735%0.34712%0.118SC..  trans-73.7155.2-176.3-51.1-51.6-176.4-171.41.4110.9I171 E201 H232 Q233I171-R230 HydrophobicContact CD1-CB 3.77Å; I171-R230 HydrophobicContact CD1-CG 4.42Å; I171-R230 HydrophobicContact CG1-CB 4.2Å; I171-R230 HydrophobicContact CG1-CG 4.47Å; E201-R230 PolarHBondContact O-NE 3.45Å; E201-R230 VanDerWaalsContact O-NE 3.1Å; E201-R230 PolarHBondContact O-NH2 2.9Å; R230-H232 PolarHBondContact O-N 3.23Å; R230-Q233 HydrophobicContact CB-CB 4.1Å; R230-Q233 WeakPolarHBondContact O-CB 3.45Å; R230-Q233 PolarHBondContact O-N 3.11Å
231R94.8Very high93.7Very high85 Ų8522.9 Ų22.932%0.32112%0.12SC..THydrogen-bonded Turntrans-60.5132.8179.7177.9177179.7177.6-1.3109.5I188 Q233I188-R231 HydrophobicContact CD1-CB 4.16Å; I188-R231 HydrophobicContact CD1-CG 4.29Å; I188-R231 HydrophobicContact CG1-CB 4.28Å; I188-R231 HydrophobicContact CG1-CG 4.11Å; I188-R231 WeakPolarHBondContact CG1-O 3.38Å; R231-Q233 PolarHBondContact O-N 3.21Å
232H95.1Very high93.5Very high15 Ų1522.4 Ų22.47%0.06912%0.118CC..THydrogen-bonded Turntrans5220.8179.6-55.8-175.9000114.2D104 I188 R230 L234 R235 V236 Y252D104-H232 VanDerWaalsContact CG-CD2 3.49Å; D104-H232 IonicContact OD1-CD2 2.73Å; D104-H232 PolarHBondContact OD1-CD2 3.39Å; D104-H232 IonicContact OD1-NE2 3.59Å; D104-H232 IonicContact OD2-CD2 3.25Å; D104-H232 PolarHBondContact OD2-CD2 3Å; D104-H232 IonicContact OD2-CG 3.63Å; D104-H232 IonicContact OD2-NE2 3.42Å; I188-H232 HydrophobicContact CB-CB 4.38Å; I188-H232 HydrophobicContact CG1-CB 4.11Å; R230-H232 PolarHBondContact O-N 3.23Å; H232-L234 PolarHBondContact O-N 3.47Å; H232-R235 HydrophobicContact CB-CB 4.48Å; H232-R235 WeakPolarHBondContact O-CB 3.32Å; H232-R235 PolarHBondContact O-N 3.19Å; H232-V236 HydrophobicContact CB-CG2 4.45Å; H232-V236 WeakPolarHBondContact O-CG2 3.28Å; H232-V236 PolarHBondContact O-N 3.25Å; H232-V236 VanDerWaalsContact O-N 3.08Å; H232-Y252 HydrophobicContact CB-CE2 3.98Å; H232-Y252 AromaticContact ND1-CE2 3.5Å; H232-Y252 WeakPolarHBondContact ND1-CE2 3.39Å; H232-Y252 AromaticContact ND1-CZ 3.6Å; H232-Y252 PolarHBondContact ND1-OH 3.11Å
233Q96.5Very high93.1Very high6 Ų623 Ų233%0.02812%0.124CC..Hα-helixtrans-52.9-55.6-173178.5179-40.800112.1I171 L203 T204 T228 R230 R231 R235 V236 H237I171-Q233 HydrophobicContact CD1-CB 4.06Å; I171-Q233 HydrophobicContact CD1-CG 4.23Å; L203-Q233 PolarHBondContact O-NE2 2.64Å; T204-Q233 PolarHBondContact OG1-NE2 2.89Å; T228-Q233 PolarHBondContact O-OE1 3.32Å; T228-Q233 PolarHBondContact OG1-NE2 3.47Å; T228-Q233 PolarHBondContact OG1-OE1 3.47Å; R230-Q233 HydrophobicContact CB-CB 4.1Å; R230-Q233 WeakPolarHBondContact O-CB 3.45Å; R230-Q233 PolarHBondContact O-N 3.11Å; R231-Q233 PolarHBondContact O-N 3.21Å; Q233-R235 VanDerWaalsContact C-N 3.27Å; Q233-R235 PolarHBondContact O-N 3.04Å; Q233-V236 PolarHBondContact O-N 2.89Å; Q233-H237 VanDerWaalsContact O-CB 3.28Å; Q233-H237 WeakPolarHBondContact O-CB 3.47Å; Q233-H237 PolarHBondContact O-CD2 3.45Å; Q233-H237 VanDerWaalsContact O-CG 3.29Å; Q233-H237 PolarHBondContact O-N 3.27Å
234L97.3Very high92.8Very high14 Ų1423.8 Ų23.87%0.07313%0.128CC..Hα-helixtrans-57.8-41.1-178-63.7-175.5000112.1Y136 T204 L224 P226 H232 H237 C238 L285Y136-L234 HydrophobicContact CD1-CD1 3.74Å; Y136-L234 HydrophobicContact CD2-CD1 3.56Å; Y136-L234 HydrophobicContact CE1-CD1 4.09Å; Y136-L234 HydrophobicContact CE2-CD1 3.95Å; Y136-L234 HydrophobicContact CG-CD1 3.48Å; Y136-L234 VanDerWaalsContact CG-CD1 3.48Å; T204-L234 HydrophobicContact CG2-CD2 3.5Å; T204-L234 VanDerWaalsContact CG2-CD2 3.5Å; L224-L234 HydrophobicContact CB-CD1 4.36Å; L224-L234 HydrophobicContact CB-CD2 3.96Å; L224-L234 HydrophobicContact CD1-CB 4.14Å; L224-L234 HydrophobicContact CD1-CD1 4.19Å; L224-L234 HydrophobicContact CD1-CD2 4.23Å; L224-L234 HydrophobicContact CD1-CG 4.42Å; P226-L234 HydrophobicContact CB-CD2 3.79Å; P226-L234 HydrophobicContact CG-CD1 4.4Å; P226-L234 HydrophobicContact CG-CD2 4.03Å; H232-L234 PolarHBondContact O-N 3.47Å; L234-H237 PolarHBondContact O-N 2.78Å; L234-C238 WeakPolarHBondContact O-CB 3.37Å; L234-C238 PolarHBondContact O-N 3.41Å; L234-C238 PolarHBondContact O-SG 3.39Å; L234-L285 HydrophobicContact CB-CD2 4.26Å; L234-L285 HydrophobicContact CD1-CD1 4.1Å; L234-L285 HydrophobicContact CD1-CD2 4.32Å
235R95.1Very high92.4Very high10 Ų1023.9 Ų23.94%0.03813%0.128CC..Hα-helixtrans-64.6-46.4-178.7-60.716966.8-173.62.5111.9D104 H232 Q233 A239 I246 D249 T251 Y252 M283 L285D104-R235 IonicContact OD2-NH1 3.91Å; H232-R235 HydrophobicContact CB-CB 4.48Å; H232-R235 WeakPolarHBondContact O-CB 3.32Å; H232-R235 PolarHBondContact O-N 3.19Å; Q233-R235 VanDerWaalsContact C-N 3.27Å; Q233-R235 PolarHBondContact O-N 3.04Å; R235-A239 WeakPolarHBondContact O-CB 3.32Å; R235-A239 PolarHBondContact O-N 3.02Å; R235-I246 HydrophobicContact CB-CD1 4.49Å; R235-I246 HydrophobicContact CG-CD1 4.09Å; R235-D249 WeakPolarHBondContact CB-OD2 3.38Å; R235-D249 IonicContact CZ-OD1 3.73Å; R235-D249 IonicContact CZ-OD2 2.94Å; R235-D249 IonicContact NE-OD1 2.72Å; R235-D249 IonicContact NE-OD2 3.47Å; R235-D249 PolarHBondContact NE-OD2 3.35Å; R235-D249 VanDerWaalsContact NH2-CG 3.32Å; R235-D249 IonicContact NH2-OD1 3.16Å; R235-D249 PolarHBondContact NH2-OD1 3.16Å; R235-D249 IonicContact NH2-OD2 3.51Å; R235-D249 PolarHBondContact NH2-OD2 3.37Å; R235-T251 PolarHBondContact NH2-OG1 2.89Å; R235-Y252 HydrophobicContact CB-CD2 3.81Å; R235-Y252 HydrophobicContact CB-CE2 4Å; R235-M283 HydrophobicContact CG-CE 4.07Å; R235-M283 HydrophobicContact CG-SD 3.99Å; R235-M283 PolarHBondContact NE-SD 3.31Å; R235-M283 VanDerWaalsContact NE-SD 3.45Å; R235-L285 HydrophobicContact CG-CD2 4.3Å
236V92.2Very high92.2Very high0 Ų022.3 Ų22.30%012%0.12CC..Hα-helixtrans-71.1-38.5178.4178.50000111.1M169 I171 I188 H232 Q233 I240 G241 Y252M169-V236 HydrophobicContact CE-CG1 3.75Å; I171-V236 HydrophobicContact CG2-CG1 4.15Å; I188-V236 HydrophobicContact CB-CG2 3.97Å; I188-V236 HydrophobicContact CG2-CG2 3.97Å; H232-V236 HydrophobicContact CB-CG2 4.45Å; H232-V236 WeakPolarHBondContact O-CG2 3.28Å; H232-V236 PolarHBondContact O-N 3.25Å; H232-V236 VanDerWaalsContact O-N 3.08Å; Q233-V236 PolarHBondContact O-N 2.89Å; V236-I240 HydrophobicContact CG1-CD1 3.62Å; V236-I240 HydrophobicContact CG1-CG1 4.43Å; V236-I240 WeakPolarHBondContact O-CB 3.41Å; V236-I240 PolarHBondContact O-N 2.92Å; V236-G241 PolarHBondContact O-N 3.38Å; V236-Y252 HydrophobicContact CG2-CD1 4.07Å; V236-Y252 HydrophobicContact CG2-CE1 3.51Å; V236-Y252 HydrophobicContact CG2-CE2 4.13Å
237H93.4Very high91.9Very high0 Ų021.9 Ų21.90%012%0.118CC..Iπ-helixtrans-60.9-47.7175.1-80.9-153.5000111.1I167 S202 T204 Q233 L234 G241 L242I167-H237 HydrophobicContact CB-CB 4.46Å; I167-H237 HydrophobicContact CD1-CB 3.95Å; I167-H237 HydrophobicContact CG2-CB 4.03Å; I167-H237 PolarHBondContact O-CE1 3.03Å; S202-H237 PolarHBondContact O-CE1 3.13Å; S202-H237 PolarHBondContact OG-NE2 3.24Å; T204-H237 VanDerWaalsContact CB-ND1 3.25Å; T204-H237 WeakPolarHBondContact CB-ND1 3.37Å; T204-H237 PolarHBondContact OG1-CE1 2.95Å; T204-H237 PolarHBondContact OG1-ND1 2.87Å; Q233-H237 VanDerWaalsContact O-CB 3.28Å; Q233-H237 WeakPolarHBondContact O-CB 3.47Å; Q233-H237 PolarHBondContact O-CD2 3.45Å; Q233-H237 VanDerWaalsContact O-CG 3.29Å; Q233-H237 PolarHBondContact O-N 3.27Å; L234-H237 PolarHBondContact O-N 2.78Å; H237-G241 CarbonylContact O-C 3.55Å; H237-G241 WeakPolarHBondContact O-CA 3.32Å; H237-G241 PolarHBondContact O-N 3.11Å; H237-L242 PolarHBondContact O-N 2.93Å
238C92.1Very high91.7Very high0 Ų017.1 Ų17.10%010%0.098CC..Iπ-helixtrans-63-51.9174.6-68.50000111.9V140 L234 L242 G243 H244 I246V140-C238 HydrophobicContact CG1-CB 4.14Å; L234-C238 WeakPolarHBondContact O-CB 3.37Å; L234-C238 PolarHBondContact O-N 3.41Å; L234-C238 PolarHBondContact O-SG 3.39Å; C238-L242 WeakPolarHBondContact O-CB 3.09Å; C238-G243 PolarHBondContact O-N 3.15Å; C238-H244 CarbonylContact C-O 3.56Å; C238-H244 VanDerWaalsContact CB-O 3.3Å; C238-H244 WeakPolarHBondContact CB-O 3.48Å; C238-H244 CarbonylContact O-C 3.44Å; C238-H244 VanDerWaalsContact O-C 3.23Å; C238-H244 PolarHBondContact O-N 3.39Å; C238-I246 HydrophobicContact CB-CD1 4.32Å; C238-I246 HydrophobicContact CB-CG1 3.72Å
239A88.3Confident91.5Very high2 Ų217 Ų172%0.01710%0.096CC..Iπ-helixtrans-67.8-42.4-173.900000114.3R235 G243 P245R235-A239 WeakPolarHBondContact O-CB 3.32Å; R235-A239 PolarHBondContact O-N 3.02Å; A239-G243 WeakPolarHBondContact O-CA 3.31Å; A239-P245 HydrophobicContact CB-CB 3.97Å
240I84.9Confident91.2Very high11 Ų1117 Ų176%0.0568%0.084CC..Iπ-helixtrans-109.3-41.8-171.7-54.3168.7000111.9M169 P190 V236 F257 Y264M169-I240 HydrophobicContact CE-CB 4.48Å; M169-I240 HydrophobicContact SD-CG2 4.4Å; P190-I240 HydrophobicContact CG-CD1 4.24Å; P190-I240 HydrophobicContact CG-CG2 4.32Å; V236-I240 HydrophobicContact CG1-CD1 3.62Å; V236-I240 HydrophobicContact CG1-CG1 4.43Å; V236-I240 WeakPolarHBondContact O-CB 3.41Å; V236-I240 PolarHBondContact O-N 2.92Å; I240-F257 HydrophobicContact CD1-CD2 4.39Å; I240-F257 HydrophobicContact CD1-CE1 3.65Å; I240-F257 HydrophobicContact CD1-CE2 3.47Å; I240-F257 VanDerWaalsContact CD1-CE2 3.47Å; I240-F257 HydrophobicContact CD1-CZ 3.06Å; I240-F257 HydrophobicContact CG1-CE2 3.85Å; I240-F257 HydrophobicContact CG1-CZ 3.97Å; I240-Y264 HydrophobicContact CG2-CE1 4.5Å
241G87.1Confident90.7Very high4 Ų413.5 Ų13.54%0.0417%0.073CC..Iπ-helixtrans-67.5-58.7179.800000109.9S154 V157 V236 H237S154-G241 PolarHBondContact OG-O 3.28Å; V157-G241 WeakPolarHBondContact CG2-O 3.11Å; V236-G241 PolarHBondContact O-N 3.38Å; H237-G241 CarbonylContact O-C 3.55Å; H237-G241 WeakPolarHBondContact O-CA 3.32Å; H237-G241 PolarHBondContact O-N 3.11Å
242L87.4Confident90.2Very high12 Ų129.5 Ų9.56%0.0636%0.058CC..SBendtrans-81.2-19-178.1-159.760.7000113.1V144 H165 I167 V206 H237 C238 H244V144-L242 HydrophobicContact CG1-CD1 3.92Å; V144-L242 HydrophobicContact CG1-CD2 4.03Å; V144-L242 HydrophobicContact CG1-CG 4.19Å; V144-L242 HydrophobicContact CG2-CD2 3.86Å; V144-L242 HydrophobicContact CG2-CG 4.42Å; H165-L242 HydrophobicContact CB-CD1 4.47Å; I167-L242 HydrophobicContact CD1-CB 3.94Å; I167-L242 HydrophobicContact CD1-CD1 4.44Å; V206-L242 HydrophobicContact CG1-CD2 4.19Å; H237-L242 PolarHBondContact O-N 2.93Å; C238-L242 WeakPolarHBondContact O-CB 3.09Å; L242-H244 HydrophobicContact CD2-CB 4.22Å; L242-H244 HydrophobicContact CG-CB 4.22Å; L242-H244 PolarHBondContact O-CD2 2.96Å; L242-H244 PolarHBondContact O-N 3.4Å
243G84.8Confident89.4Confident12 Ų128.9 Ų8.912%0.1246%0.055CC..SBendtrans71.911-173.100000114.3C238 A239C238-G243 PolarHBondContact O-N 3.15Å; A239-G243 WeakPolarHBondContact O-CA 3.31Å
244H88.8Confident88Confident17 Ų1712.3 Ų12.38%0.0797%0.068CC..  trans-126.887.9-174.2-70.7-70.9000108.8V140 W141 V144 C238 L242V140-H244 HydrophobicContact CB-CB 3.99Å; V140-H244 WeakPolarHBondContact CB-O 3.38Å; V140-H244 WeakPolarHBondContact CG1-O 3.19Å; V140-H244 HydrophobicContact CG2-CB 3.93Å; W141-H244 VanDerWaalsContact O-CB 3.31Å; W141-H244 WeakPolarHBondContact O-CB 3.29Å; W141-H244 PolarHBondContact O-ND1 2.94Å; V144-H244 HydrophobicContact CG2-CB 4.07Å; C238-H244 CarbonylContact C-O 3.56Å; C238-H244 VanDerWaalsContact CB-O 3.3Å; C238-H244 WeakPolarHBondContact CB-O 3.48Å; C238-H244 CarbonylContact O-C 3.44Å; C238-H244 VanDerWaalsContact O-C 3.23Å; C238-H244 PolarHBondContact O-N 3.39Å; L242-H244 HydrophobicContact CD2-CB 4.22Å; L242-H244 HydrophobicContact CG-CB 4.22Å; L242-H244 PolarHBondContact O-CD2 2.96Å; L242-H244 PolarHBondContact O-N 3.4Å
245P90.5Very high86.1Confident3 Ų316.1 Ų16.12%0.0198%0.081CC..PPolyproline II helixtrans-64.4148.1-176.225-32.5000112V140 W141 A239 A247 V253V140-P245 WeakPolarHBondContact CA-O 3.48Å; W141-P245 PolarHBondContact N-O 3.5Å; A239-P245 HydrophobicContact CB-CB 3.97Å; P245-A247 PolarHBondContact O-N 2.81Å; P245-V253 HydrophobicContact CB-CG2 3.84Å; P245-V253 HydrophobicContact CG-CG2 4.19Å
246I92.8Very high84Confident0 Ų015.9 Ų15.90%08%0.081CC..BIsolated β-bridgetrans-64.5129.7176.4-59.9176.2000109.3V140 R235 C238 G248 D249 M283 M284 L285V140-I246 HydrophobicContact CG1-CG1 4.13Å; R235-I246 HydrophobicContact CB-CD1 4.49Å; R235-I246 HydrophobicContact CG-CD1 4.09Å; C238-I246 HydrophobicContact CB-CD1 4.32Å; C238-I246 HydrophobicContact CB-CG1 3.72Å; I246-G248 PolarHBondContact O-N 3.31Å; I246-D249 HydrophobicContact CB-CB 4.31Å; I246-D249 WeakPolarHBondContact O-CB 3.46Å; I246-D249 PolarHBondContact O-N 3.42Å; I246-M283 HydrophobicContact CB-CG 4.33Å; I246-M283 HydrophobicContact CG2-CG 3.59Å; I246-M283 HydrophobicContact CG2-SD 4.5Å; I246-M284 HydrophobicContact CG2-CB 4.3Å; I246-M284 VanDerWaalsContact CG2-O 3.3Å; I246-M284 WeakPolarHBondContact CG2-O 3.17Å; I246-L285 HydrophobicContact CD1-CB 4.2Å; I246-L285 HydrophobicContact CD1-CD1 4.1Å; I246-L285 HydrophobicContact CD1-CD2 3.99Å; I246-L285 HydrophobicContact CD1-CG 4.32Å; I246-L285 HydrophobicContact CG2-CB 4.25Å
247A91.5Very high82.2Confident0 Ų016 Ų160%08%0.082CC..THydrogen-bonded Turntrans-59.1127.117900000110.9I139 W141 L214 P245 L280 M283 M284I139-A247 HydrophobicContact CB-CB 4.44Å; I139-A247 HydrophobicContact CG2-CB 4.43Å; I139-A247 WeakPolarHBondContact O-CB 3.18Å; I139-A247 PolarHBondContact O-N 3.49Å; W141-A247 HydrophobicContact CD2-CB 4.38Å; W141-A247 HydrophobicContact CZ2-CB 4.09Å; L214-A247 HydrophobicContact CD2-CB 3.55Å; P245-A247 PolarHBondContact O-N 2.81Å; A247-L280 VanDerWaalsContact C-CD1 3.47Å; A247-L280 HydrophobicContact CB-CD1 3.67Å; A247-M283 CarbonylContact O-C 3.33Å; A247-M283 WeakPolarHBondContact O-CA 3.27Å; A247-M284 HydrophobicContact CB-CB 4.07Å; A247-M284 HydrophobicContact CB-CG 3.83Å; A247-M284 WeakPolarHBondContact O-CB 3.16Å; A247-M284 PolarHBondContact O-N 2.97Å
248G90.4Very high80.2Confident8 Ų821.2 Ų21.28%0.08211%0.11CC..THydrogen-bonded Turntrans87.14.8-177.600000113.5I246 T250 D277I246-G248 PolarHBondContact O-N 3.31Å; G248-T250 PolarHBondContact O-N 2.98Å; G248-T250 VanDerWaalsContact O-N 3.08Å; G248-D277 PolarHBondContact N-OD1 2.97Å
249D90.3Very high78.3Confident1 Ų123.8 Ų23.81%0.00512%0.121CC..  trans-79.486.6173.8-165.9-26.8000112R235 I246 T251 Y252 V253 M283R235-D249 WeakPolarHBondContact CB-OD2 3.38Å; R235-D249 IonicContact CZ-OD1 3.73Å; R235-D249 IonicContact CZ-OD2 2.94Å; R235-D249 IonicContact NE-OD1 2.72Å; R235-D249 IonicContact NE-OD2 3.47Å; R235-D249 PolarHBondContact NE-OD2 3.35Å; R235-D249 VanDerWaalsContact NH2-CG 3.32Å; R235-D249 IonicContact NH2-OD1 3.16Å; R235-D249 PolarHBondContact NH2-OD1 3.16Å; R235-D249 IonicContact NH2-OD2 3.51Å; R235-D249 PolarHBondContact NH2-OD2 3.37Å; I246-D249 HydrophobicContact CB-CB 4.31Å; I246-D249 WeakPolarHBondContact O-CB 3.46Å; I246-D249 PolarHBondContact O-N 3.42Å; D249-T251 PolarHBondContact O-N 3.07Å; D249-T251 WeakPolarHBondContact OD1-CB 3.41Å; D249-T251 PolarHBondContact OD1-N 2.94Å; D249-Y252 PolarHBondContact OD1-N 3.36Å; D249-Y252 VanDerWaalsContact OD1-N 3.14Å; D249-Y252 WeakPolarHBondContact OD2-CD2 3.26Å; D249-V253 HydrophobicContact CB-CG2 4.45Å; D249-V253 WeakPolarHBondContact O-CB 3.43Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.35Å; D249-M283 HydrophobicContact CB-CG 4.12Å; D249-M283 HydrophobicContact CB-SD 3.88Å
250T85.9Confident76.3Confident65 Ų6529.5 Ų29.540%0.39916%0.158SC..THydrogen-bonded Turntrans-67.2-6.4177.856.50000115.1G248 Y278G248-T250 PolarHBondContact O-N 2.98Å; G248-T250 VanDerWaalsContact O-N 3.08Å; T250-Y278 HydrophobicContact CG2-CD1 3.87Å; T250-Y278 HydrophobicContact CG2-CE1 3.78Å; T250-Y278 HydrophobicContact CG2-CG 4.45Å
251T85.2Confident74.5Confident19 Ų1935.9 Ų35.912%0.11719%0.192CC..THydrogen-bonded Turntrans-93.4-43.4-179.7-49.70000112.4I187 R235 D249 P256I187-T251 HydrophobicContact CG2-CG2 4.32Å; R235-T251 PolarHBondContact NH2-OG1 2.89Å; D249-T251 PolarHBondContact O-N 3.07Å; D249-T251 WeakPolarHBondContact OD1-CB 3.41Å; D249-T251 PolarHBondContact OD1-N 2.94Å; T251-P256 WeakPolarHBondContact O-CD 3.39Å
252Y85.4Confident72.5Confident0 Ų037.1 Ų37.10%020%0.198CC..THydrogen-bonded Turntrans-103.20.3-169.6-68.3-72000114.4I188 H232 R235 V236 D249 P256 F257I188-Y252 WeakPolarHBondContact CB-OH 3.34Å; I188-Y252 PolarHBondContact N-OH 2.78Å; I188-Y252 VanDerWaalsContact N-OH 3.15Å; I188-Y252 VanDerWaalsContact O-CE1 3.28Å; I188-Y252 WeakPolarHBondContact O-CE1 3.43Å; H232-Y252 HydrophobicContact CB-CE2 3.98Å; H232-Y252 AromaticContact ND1-CE2 3.5Å; H232-Y252 WeakPolarHBondContact ND1-CE2 3.39Å; H232-Y252 AromaticContact ND1-CZ 3.6Å; H232-Y252 PolarHBondContact ND1-OH 3.11Å; R235-Y252 HydrophobicContact CB-CD2 3.81Å; R235-Y252 HydrophobicContact CB-CE2 4Å; V236-Y252 HydrophobicContact CG2-CD1 4.07Å; V236-Y252 HydrophobicContact CG2-CE1 3.51Å; V236-Y252 HydrophobicContact CG2-CE2 4.13Å; D249-Y252 PolarHBondContact OD1-N 3.36Å; D249-Y252 VanDerWaalsContact OD1-N 3.14Å; D249-Y252 WeakPolarHBondContact OD2-CD2 3.26Å; Y252-P256 HydrophobicContact CD1-CG 4.17Å; Y252-P256 HydrophobicContact CE1-CG 4.43Å; Y252-F257 HydrophobicContact CD1-CE2 4.02Å; Y252-F257 HydrophobicContact CD1-CZ 4.31Å
253V77.7Confident70.5Confident3 Ų341.9 Ų41.92%0.01823%0.227CC..THydrogen-bonded Turntrans-82.7-25180167.20000114.7P245 D249 Y269 V274 D277P245-V253 HydrophobicContact CB-CG2 3.84Å; P245-V253 HydrophobicContact CG-CG2 4.19Å; D249-V253 HydrophobicContact CB-CG2 4.45Å; D249-V253 WeakPolarHBondContact O-CB 3.43Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.35Å; V253-Y269 WeakPolarHBondContact O-CD1 3.01Å; V253-Y269 WeakPolarHBondContact O-CE1 3.43Å; V253-V274 HydrophobicContact CG1-CB 3.79Å; V253-V274 HydrophobicContact CG1-CG1 3.34Å; V253-D277 WeakPolarHBondContact CG1-OD2 3.32Å
254R67.2Low68.8Low77 Ų7742.3 Ų42.329%0.29123%0.225SC..THydrogen-bonded Turntrans-128.5-43.1-174.5-73.8-171.4176.2-177.7-1.8117.3V274 N275R254-V274 HydrophobicContact CG-CB 4.1Å; R254-V274 HydrophobicContact CG-CG1 4.09Å; R254-V274 HydrophobicContact CG-CG2 4.47Å; R254-N275 PolarHBondContact NH2-OD1 2.95Å
255R56.7Low66.6Low94 Ų9443.7 Ų43.736%0.35523%0.233SC..SBendtrans-135.6-1.4-148.1-62-153.5178.1171-0.6122.2Y176 F257Y176-R255 WeakPolarHBondContact CE2-O 3.47Å; Y176-R255 PolarHBondContact OH-O 2.94Å; R255-F257 PolarHBondContact O-N 3.49Å
256P51.5Low64.2Low6 Ų649.4 Ų49.44%0.03926%0.263CS..SBendtrans-66.5-15.6164.7-28.939.7000114.6I187 T251 Y252I187-P256 HydrophobicContact CD1-CB 3.33Å; I187-P256 HydrophobicContact CD1-CG 3.58Å; T251-P256 WeakPolarHBondContact O-CD 3.39Å; Y252-P256 HydrophobicContact CD1-CG 4.17Å; Y252-P256 HydrophobicContact CE1-CG 4.43Å
257F53.9Low61.9Low3 Ų354.2 Ų54.21%0.01329%0.289CS..  trans-122.90.7-153.1-62.6-49.7000113.5V189 I240 Y252 R255 H259 Y264 Y269V189-F257 HydrophobicContact CB-CE1 4.19Å; V189-F257 HydrophobicContact CG1-CE1 3.72Å; V189-F257 HydrophobicContact CG1-CZ 4.17Å; I240-F257 HydrophobicContact CD1-CD2 4.39Å; I240-F257 HydrophobicContact CD1-CE1 3.65Å; I240-F257 HydrophobicContact CD1-CE2 3.47Å; I240-F257 VanDerWaalsContact CD1-CE2 3.47Å; I240-F257 HydrophobicContact CD1-CZ 3.06Å; I240-F257 HydrophobicContact CG1-CE2 3.85Å; I240-F257 HydrophobicContact CG1-CZ 3.97Å; Y252-F257 HydrophobicContact CD1-CE2 4.02Å; Y252-F257 HydrophobicContact CD1-CZ 4.31Å; R255-F257 PolarHBondContact O-N 3.49Å; F257-H259 PolarHBondContact O-N 2.84Å; F257-Y264 HydrophobicContact CB-CD1 4.29Å; F257-Y264 HydrophobicContact CB-CD2 3.33Å; F257-Y264 HydrophobicContact CB-CE2 3.86Å; F257-Y264 HydrophobicContact CB-CG 3.54Å; F257-Y264 AromaticContact CD1-CD1 3.95Å; F257-Y264 HydrophobicContact CD1-CD1 3.95Å; F257-Y264 AromaticContact CD1-CD2 3.64Å; F257-Y264 HydrophobicContact CD1-CD2 3.64Å; F257-Y264 AromaticContact CD1-CE1 3.67Å; F257-Y264 HydrophobicContact CD1-CE1 3.67Å; F257-Y264 AromaticContact CD1-CE2 3.25Å; F257-Y264 HydrophobicContact CD1-CE2 3.25Å; F257-Y264 AromaticContact CD1-CG 3.93Å; F257-Y264 HydrophobicContact CD1-CG 3.93Å; F257-Y264 AromaticContact CD1-CZ 3.31Å; F257-Y264 HydrophobicContact CE1-CE1 4.05Å; F257-Y264 HydrophobicContact CE1-CE2 4.18Å; F257-Y264 AromaticContact CE1-CZ 3.81Å; F257-Y264 HydrophobicContact CG-CD1 4.14Å; F257-Y264 AromaticContact CG-CD2 3.82Å; F257-Y264 HydrophobicContact CG-CD2 3.82Å; F257-Y264 HydrophobicContact CG-CE1 4.33Å; F257-Y264 AromaticContact CG-CE2 3.94Å; F257-Y264 HydrophobicContact CG-CE2 3.94Å; F257-Y264 AromaticContact CG-CG 3.89Å; F257-Y264 HydrophobicContact CG-CG 3.89Å; F257-Y264 WeakPolarHBondContact O-CD2 3.45Å; F257-Y269 WeakPolarHBondContact CB-OH 3.34Å; F257-Y269 WeakPolarHBondContact CD2-OH 3.22Å; F257-Y269 WeakPolarHBondContact CG-OH 3.45Å
258D53Low59.8Low109 Ų10955.4 Ų55.458%0.58330%0.295SS*.  trans-76.248.9169.7-60-27.9000111.1
259H50.6Low57.8Low54 Ų5456.9 Ų56.925%0.2530%0.299CS..  trans-84.9129.8172.2-172.3-77.9000108.5F257 N261 I262F257-H259 PolarHBondContact O-N 2.84Å; H259-N261 PolarHBondContact ND1-N 3.39Å; H259-N261 PolarHBondContact O-N 2.91Å; H259-I262 HydrophobicContact CB-CB 4.12Å; H259-I262 HydrophobicContact CB-CD1 3.45Å; H259-I262 VanDerWaalsContact CB-CD1 3.45Å; H259-I262 HydrophobicContact CB-CG1 3.76Å; H259-I262 PolarHBondContact O-N 2.89Å
260P47.8Very low55.7Low122 Ų12261.7 Ų61.779%0.79233%0.328SS*.THydrogen-bonded Turntrans-58.1-28.7-175.120-31.6000114.1
261N45.3Very low54.2Low144 Ų14463 Ų6377%0.7733%0.331SS*.THydrogen-bonded Turntrans-95.87.9177.6-57.2-18.1000114.6H259H259-N261 PolarHBondContact ND1-N 3.39Å; H259-N261 PolarHBondContact O-N 2.91Å
262I45.8Very low53.3Low30 Ų3062.7 Ų62.715%0.15433%0.328CS..  trans-124.6108.8178-45.2164.3000108.1P194 H259 Y264P194-I262 HydrophobicContact CG-CD1 3.61Å; P194-I262 HydrophobicContact CG-CG1 4.04Å; H259-I262 HydrophobicContact CB-CB 4.12Å; H259-I262 HydrophobicContact CB-CD1 3.45Å; H259-I262 VanDerWaalsContact CB-CD1 3.45Å; H259-I262 HydrophobicContact CB-CG1 3.76Å; H259-I262 PolarHBondContact O-N 2.89Å; I262-Y264 HydrophobicContact CB-CD2 3.72Å; I262-Y264 HydrophobicContact CB-CE2 3.69Å; I262-Y264 HydrophobicContact CD1-CD2 4.35Å; I262-Y264 HydrophobicContact CD1-CE2 3.53Å; I262-Y264 HydrophobicContact CG1-CE2 4.22Å; I262-Y264 HydrophobicContact CG2-CD1 4.38Å; I262-Y264 HydrophobicContact CG2-CD2 3.27Å; I262-Y264 HydrophobicContact CG2-CE1 4.25Å; I262-Y264 HydrophobicContact CG2-CE2 3.19Å; I262-Y264 HydrophobicContact CG2-CG 3.93Å; I262-Y264 PolarHBondContact O-N 2.94Å
263V44.4Very low52.6Low113 Ų11366 Ų6669%0.68535%0.345SS*.  trans-71.278.7160.4-172.30000106L265V263-L265 PolarHBondContact O-N 2.88Å
264Y49.5Very low52.4Low21 Ų2166.9 Ų66.98%0.08235%0.351CS..  trans-69.888.9150.8-74-76.2000103.9P190 H193 I240 F257 I262 N266P190-Y264 HydrophobicContact CG-CE1 3.97Å; H193-Y264 WeakPolarHBondContact CA-OH 3.5Å; H193-Y264 WeakPolarHBondContact CB-OH 3.41Å; H193-Y264 AromaticContact CD2-CE2 3.89Å; H193-Y264 AromaticContact CD2-CZ 3.86Å; H193-Y264 PolarHBondContact CD2-OH 2.9Å; I240-Y264 HydrophobicContact CG2-CE1 4.5Å; F257-Y264 HydrophobicContact CB-CD1 4.29Å; F257-Y264 HydrophobicContact CB-CD2 3.33Å; F257-Y264 HydrophobicContact CB-CE2 3.86Å; F257-Y264 HydrophobicContact CB-CG 3.54Å; F257-Y264 AromaticContact CD1-CD1 3.95Å; F257-Y264 HydrophobicContact CD1-CD1 3.95Å; F257-Y264 AromaticContact CD1-CD2 3.64Å; F257-Y264 HydrophobicContact CD1-CD2 3.64Å; F257-Y264 AromaticContact CD1-CE1 3.67Å; F257-Y264 HydrophobicContact CD1-CE1 3.67Å; F257-Y264 AromaticContact CD1-CE2 3.25Å; F257-Y264 HydrophobicContact CD1-CE2 3.25Å; F257-Y264 AromaticContact CD1-CG 3.93Å; F257-Y264 HydrophobicContact CD1-CG 3.93Å; F257-Y264 AromaticContact CD1-CZ 3.31Å; F257-Y264 HydrophobicContact CE1-CE1 4.05Å; F257-Y264 HydrophobicContact CE1-CE2 4.18Å; F257-Y264 AromaticContact CE1-CZ 3.81Å; F257-Y264 HydrophobicContact CG-CD1 4.14Å; F257-Y264 AromaticContact CG-CD2 3.82Å; F257-Y264 HydrophobicContact CG-CD2 3.82Å; F257-Y264 HydrophobicContact CG-CE1 4.33Å; F257-Y264 AromaticContact CG-CE2 3.94Å; F257-Y264 HydrophobicContact CG-CE2 3.94Å; F257-Y264 AromaticContact CG-CG 3.89Å; F257-Y264 HydrophobicContact CG-CG 3.89Å; F257-Y264 WeakPolarHBondContact O-CD2 3.45Å; I262-Y264 HydrophobicContact CB-CD2 3.72Å; I262-Y264 HydrophobicContact CB-CE2 3.69Å; I262-Y264 HydrophobicContact CD1-CD2 4.35Å; I262-Y264 HydrophobicContact CD1-CE2 3.53Å; I262-Y264 HydrophobicContact CG1-CE2 4.22Å; I262-Y264 HydrophobicContact CG2-CD1 4.38Å; I262-Y264 HydrophobicContact CG2-CD2 3.27Å; I262-Y264 HydrophobicContact CG2-CE1 4.25Å; I262-Y264 HydrophobicContact CG2-CE2 3.19Å; I262-Y264 HydrophobicContact CG2-CG 3.93Å; I262-Y264 PolarHBondContact O-N 2.94Å; Y264-N266 PolarHBondContact O-N 2.78Å
265L43.6Very low53Low45 Ų4567.2 Ų67.224%0.23636%0.359CS..  trans5.293.4172.9-59.7170.5000109.6L152 V263 D267 I268L152-L265 HydrophobicContact CD1-CD1 4.36Å; L152-L265 HydrophobicContact CD1-CD2 3.66Å; L152-L265 HydrophobicContact CD2-CB 4.38Å; L152-L265 HydrophobicContact CD2-CD1 3.54Å; L152-L265 HydrophobicContact CD2-CD2 3.79Å; L152-L265 HydrophobicContact CD2-CG 4.05Å; L152-L265 HydrophobicContact CG-CD1 3.82Å; L152-L265 HydrophobicContact CG-CD2 4.03Å; L152-L265 HydrophobicContact CG-CG 4.5Å; V263-L265 PolarHBondContact O-N 2.88Å; L265-D267 PolarHBondContact O-N 3.16Å; L265-I268 HydrophobicContact CB-CD1 3.95Å; L265-I268 HydrophobicContact CB-CG1 3.9Å; L265-I268 HydrophobicContact CD1-CD1 3.63Å; L265-I268 HydrophobicContact CD1-CG1 4.14Å; L265-I268 HydrophobicContact CG-CD1 4.31Å; L265-I268 PolarHBondContact O-N 3.12Å
266N40.1Very low54.3Low123 Ų12363.4 Ų63.466%0.65835%0.345SS*.THydrogen-bonded Turntrans-48.3-17.4178.2-82.1-27.1000111.3Y264Y264-N266 PolarHBondContact O-N 2.78Å
267D44Very low55.9Low101 Ų10163.2 Ų63.254%0.5434%0.344SS..THydrogen-bonded Turntrans-85.7-20.4-178.4-46.8-42.3000115.5L265 Y269 T270L265-D267 PolarHBondContact O-N 3.16Å; D267-Y269 VanDerWaalsContact C-N 3.29Å; D267-Y269 PolarHBondContact O-N 2.89Å; D267-T270 WeakPolarHBondContact CA-OG1 3.37Å; D267-T270 PolarHBondContact O-N 3.28Å; D267-T270 PolarHBondContact O-OG1 2.8Å
268I47Very low57.3Low25 Ų2569.4 Ų69.413%0.12837%0.368CS..G310 helixtrans-67.1-35.3177.2-73.5174.6000110.7L265 T270L265-I268 HydrophobicContact CB-CD1 3.95Å; L265-I268 HydrophobicContact CB-CG1 3.9Å; L265-I268 HydrophobicContact CD1-CD1 3.63Å; L265-I268 HydrophobicContact CD1-CG1 4.14Å; L265-I268 HydrophobicContact CG-CD1 4.31Å; L265-I268 PolarHBondContact O-N 3.12Å; I268-T270 VanDerWaalsContact C-N 3.35Å
269Y48.2Very low58.8Low40 Ų4071.2 Ų71.216%0.15737%0.371CS..G310 helixtrans-84.1-9.7-176.6-57.1-68.3000113.8V253 F257 D267 M271V253-Y269 WeakPolarHBondContact O-CD1 3.01Å; V253-Y269 WeakPolarHBondContact O-CE1 3.43Å; F257-Y269 WeakPolarHBondContact CB-OH 3.34Å; F257-Y269 WeakPolarHBondContact CD2-OH 3.22Å; F257-Y269 WeakPolarHBondContact CG-OH 3.45Å; D267-Y269 VanDerWaalsContact C-N 3.29Å; D267-Y269 PolarHBondContact O-N 2.89Å; Y269-M271 VanDerWaalsContact C-N 3.31Å
270T47.6Very low60.5Low102 Ų10269.2 Ų69.263%0.62636%0.362SS*.G310 helixtrans-83.4-6.3-179.850.30000113.7D267 I268 H272D267-T270 WeakPolarHBondContact CA-OG1 3.37Å; D267-T270 PolarHBondContact O-N 3.28Å; D267-T270 PolarHBondContact O-OG1 2.8Å; I268-T270 VanDerWaalsContact C-N 3.35Å; T270-H272 PolarHBondContact O-N 3.47Å
271M54.7Low62.2Low92 Ų9268.4 Ų68.445%0.45335%0.346SS..G310 helixtrans-73.4-21.3-173.2-70-97.9108.700114.3Y269Y269-M271 VanDerWaalsContact C-N 3.31Å
272H64.3Low64.2Low12 Ų1262.3 Ų62.36%0.05631%0.313CS..SBendtrans-153.3158-179.575.6-74.2000113.3W141 T270 V274 D277W141-H272 HydrophobicContact CB-CB 4.12Å; W141-H272 AromaticContact CD1-CD2 3.49Å; W141-H272 VanDerWaalsContact CD1-CD2 3.49Å; W141-H272 AromaticContact CD1-CE1 3.43Å; W141-H272 VanDerWaalsContact CD1-CE1 3.43Å; W141-H272 AromaticContact CD1-CG 3.86Å; W141-H272 AromaticContact CD1-ND1 3.84Å; W141-H272 AromaticContact CD1-NE2 3.19Å; W141-H272 HydrophobicContact CD2-CB 4.13Å; W141-H272 AromaticContact CD2-CD2 3.55Å; W141-H272 AromaticContact CD2-CG 3.79Å; W141-H272 AromaticContact CE2-CD2 3.53Å; W141-H272 AromaticContact CE2-NE2 3.87Å; W141-H272 HydrophobicContact CE3-CB 4.19Å; W141-H272 HydrophobicContact CG-CB 4.14Å; W141-H272 AromaticContact CG-CD2 3.51Å; W141-H272 AromaticContact CG-CE1 3.77Å; W141-H272 AromaticContact CG-CG 3.52Å; W141-H272 AromaticContact CG-ND1 3.7Å; W141-H272 AromaticContact CG-NE2 3.67Å; W141-H272 AromaticContact NE1-CD2 3.42Å; W141-H272 PolarHBondContact NE1-CD2 3.1Å; W141-H272 AromaticContact NE1-CE1 3.97Å; W141-H272 AromaticContact NE1-NE2 3.25Å; W141-H272 PolarHBondContact NE1-NE2 3.38Å; T270-H272 PolarHBondContact O-N 3.47Å; H272-V274 PolarHBondContact O-N 2.82Å; H272-D277 IonicContact CD2-OD2 3.89Å; H272-D277 IonicContact CE1-OD2 3.81Å; H272-D277 IonicContact NE2-OD2 3.96Å; H272-D277 PolarHBondContact NE2-OD2 3.46Å
273N72.2Confident66.4Low69 Ų6961 Ų6137%0.36931%0.306SS..  trans-70.495.8172-176.3-6000110.6N275 L276N273-N275 PolarHBondContact O-N 3.23Å; N273-N275 VanDerWaalsContact OD1-CB 3.25Å; N273-N275 WeakPolarHBondContact OD1-CB 3.38Å; N273-N275 PolarHBondContact OD1-N 2.99Å; N273-N275 PolarHBondContact OD1-ND2 3.44Å; N273-L276 HydrophobicContact CB-CD1 4.06Å; N273-L276 HydrophobicContact CB-CG 4.02Å; N273-L276 WeakPolarHBondContact O-CB 3.44Å; N273-L276 VanDerWaalsContact O-CG 3.23Å; N273-L276 WeakPolarHBondContact O-CG 3.3Å; N273-L276 PolarHBondContact O-N 3.34Å
274V73Confident68.7Low23 Ų2355.6 Ų55.614%0.13927%0.273CS..THydrogen-bonded Turntrans-45.9-18.9172-67.20000116.4V253 R254 H272 Y278V253-V274 HydrophobicContact CG1-CB 3.79Å; V253-V274 HydrophobicContact CG1-CG1 3.34Å; R254-V274 HydrophobicContact CG-CB 4.1Å; R254-V274 HydrophobicContact CG-CG1 4.09Å; R254-V274 HydrophobicContact CG-CG2 4.47Å; H272-V274 PolarHBondContact O-N 2.82Å; V274-Y278 WeakPolarHBondContact O-CD2 3.49Å
275N79Confident70.9Confident84 Ų8454.9 Ų54.945%0.44927%0.271SS..THydrogen-bonded Turntrans-72.3-20.6172.9-60.7-55.5000112.2R254 N273 D277 Y278R254-N275 PolarHBondContact NH2-OD1 2.95Å; N273-N275 PolarHBondContact O-N 3.23Å; N273-N275 VanDerWaalsContact OD1-CB 3.25Å; N273-N275 WeakPolarHBondContact OD1-CB 3.38Å; N273-N275 PolarHBondContact OD1-N 2.99Å; N273-N275 PolarHBondContact OD1-ND2 3.44Å; N275-D277 VanDerWaalsContact C-N 3.33Å; N275-Y278 PolarHBondContact O-N 3.48Å
276L84.7Confident73.3Confident13 Ų1352.7 Ų52.77%0.06826%0.259CS..SBendtrans-66.2-34.4176-66.8-179.6000112.1W141 M215 E217 N273 Y278 K279 L280W141-L276 HydrophobicContact CH2-CB 3.9Å; W141-L276 HydrophobicContact CH2-CD1 3.95Å; W141-L276 HydrophobicContact CZ2-CB 3.89Å; W141-L276 HydrophobicContact CZ3-CD1 4.31Å; M215-L276 HydrophobicContact CE-CB 3.66Å; M215-L276 HydrophobicContact CE-CD1 4.5Å; M215-L276 HydrophobicContact CE-CD2 4.08Å; M215-L276 HydrophobicContact CE-CG 4.28Å; M215-L276 HydrophobicContact SD-CD2 4.45Å; E217-L276 HydrophobicContact CB-CD1 4.2Å; E217-L276 HydrophobicContact CG-CD1 3.35Å; N273-L276 HydrophobicContact CB-CD1 4.06Å; N273-L276 HydrophobicContact CB-CG 4.02Å; N273-L276 WeakPolarHBondContact O-CB 3.44Å; N273-L276 VanDerWaalsContact O-CG 3.23Å; N273-L276 WeakPolarHBondContact O-CG 3.3Å; N273-L276 PolarHBondContact O-N 3.34Å; L276-Y278 PolarHBondContact O-N 2.93Å; L276-K279 HydrophobicContact CD2-CD 4.01Å; L276-K279 WeakPolarHBondContact O-CA 3.44Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 2.86Å; L276-L280 PolarHBondContact O-N 3.34Å
277D85.4Confident76Confident2 Ų247 Ų471%0.01123%0.23CC..THydrogen-bonded Turntrans-58.1-31.5175.9-68.3-73.7000113.1W141 G248 V253 H272 N275 K279W141-D277 PolarHBondContact NE1-OD1 3.34Å; W141-D277 PolarHBondContact NE1-OD2 3.45Å; G248-D277 PolarHBondContact N-OD1 2.97Å; V253-D277 WeakPolarHBondContact CG1-OD2 3.32Å; H272-D277 IonicContact CD2-OD2 3.89Å; H272-D277 IonicContact CE1-OD2 3.81Å; H272-D277 IonicContact NE2-OD2 3.96Å; H272-D277 PolarHBondContact NE2-OD2 3.46Å; N275-D277 VanDerWaalsContact C-N 3.33Å; D277-K279 VanDerWaalsContact C-N 3.33Å
278Y83.5Confident78.3Confident134 Ų13444 Ų4453%0.52521%0.211SC..THydrogen-bonded Turntrans-79.9-14.6176.9-62.9-87.2000113.4T250 V274 N275 L276T250-Y278 HydrophobicContact CG2-CD1 3.87Å; T250-Y278 HydrophobicContact CG2-CE1 3.78Å; T250-Y278 HydrophobicContact CG2-CG 4.45Å; V274-Y278 WeakPolarHBondContact O-CD2 3.49Å; N275-Y278 PolarHBondContact O-N 3.48Å; L276-Y278 PolarHBondContact O-N 2.93Å
279K84.3Confident80.6Confident146 Ų14643.3 Ų43.364%0.63521%0.208SC*.THydrogen-bonded Turntrans-85.1-21174.6-61.5-175.2-176.9177.30112.3M215 L276 D277M215-K279 HydrophobicContact SD-CB 4.25Å; L276-K279 HydrophobicContact CD2-CD 4.01Å; L276-K279 WeakPolarHBondContact O-CA 3.44Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 2.86Å; D277-K279 VanDerWaalsContact C-N 3.33Å
280L86.3Confident82.8Confident13 Ų1341.7 Ų41.77%0.06820%0.202CC..SBendtrans-72.3140175.5-61.9171.2000109.8W141 L214 M215 A247 L276 H282 Y337W141-L280 HydrophobicContact CZ2-CD1 3.97Å; L214-L280 HydrophobicContact CD2-CD1 4.31Å; L214-L280 HydrophobicContact CD2-CD2 4.37Å; M215-L280 HydrophobicContact CE-CD1 4.38Å; M215-L280 HydrophobicContact CE-CD2 3.61Å; M215-L280 HydrophobicContact CE-CG 3.85Å; M215-L280 HydrophobicContact SD-CD2 4.21Å; A247-L280 VanDerWaalsContact C-CD1 3.47Å; A247-L280 HydrophobicContact CB-CD1 3.67Å; L276-L280 PolarHBondContact O-N 3.34Å; L280-H282 VanDerWaalsContact C-N 3.27Å; L280-H282 PolarHBondContact O-N 3.22Å; L280-Y337 HydrophobicContact CB-CD1 4.4Å; L280-Y337 HydrophobicContact CB-CE1 4.05Å; L280-Y337 HydrophobicContact CD2-CD1 2.99Å; L280-Y337 HydrophobicContact CD2-CD2 4.28Å; L280-Y337 HydrophobicContact CD2-CE1 3.51Å; L280-Y337 HydrophobicContact CD2-CG 3.43Å; L280-Y337 VanDerWaalsContact CD2-CG 3.43Å; L280-Y337 HydrophobicContact CG-CD1 4.25Å; L280-Y337 HydrophobicContact CG-CE1 4.39Å
281K82.6Confident85.1Confident104 Ų10439.3 Ų39.345%0.45218%0.183SC..SBendtrans-66.2-33-175.8-62.3168.4179.6160.10111.8Y337K281-Y337 HydrophobicContact CB-CE1 4.34Å; K281-Y337 WeakPolarHBondContact CB-OH 3.33Å; K281-Y337 HydrophobicContact CG-CE1 4.24Å
282H88Confident86.9Confident16 Ų1635 Ų357%0.07416%0.162CC..SBendtrans-159.5178177.155.8-88.4000109.5P61 L280 M284 F330 Y337P61-H282 HydrophobicContact CB-CB 3.77Å; P61-H282 HydrophobicContact CG-CB 4.02Å; P61-H282 VanDerWaalsContact CG-CG 3.47Å; L280-H282 VanDerWaalsContact C-N 3.27Å; L280-H282 PolarHBondContact O-N 3.22Å; H282-M284 WeakPolarHBondContact O-CE 3.49Å; H282-F330 PolarHBondContact CE1-O 2.9Å; H282-F330 PolarHBondContact NE2-O 3.13Å; H282-Y337 PolarHBondContact CE1-OH 3.09Å; H282-Y337 VanDerWaalsContact CE1-OH 3.25Å; H282-Y337 PolarHBondContact ND1-OH 3.14Å
283M92Very high88.1Confident2 Ų238.2 Ų38.21%0.0118%0.175CC..  trans-73133.2177.8-175175.373.500111.1P106 T107 R235 I246 A247 D249 L285P106-M283 HydrophobicContact CB-CB 3.85Å; P106-M283 HydrophobicContact CB-CE 4.15Å; P106-M283 HydrophobicContact CG-CE 3.72Å; P106-M283 HydrophobicContact CG-SD 4.19Å; T107-M283 WeakPolarHBondContact OG1-CE 3.35Å; R235-M283 HydrophobicContact CG-CE 4.07Å; R235-M283 HydrophobicContact CG-SD 3.99Å; R235-M283 PolarHBondContact NE-SD 3.31Å; R235-M283 VanDerWaalsContact NE-SD 3.45Å; I246-M283 HydrophobicContact CB-CG 4.33Å; I246-M283 HydrophobicContact CG2-CG 3.59Å; I246-M283 HydrophobicContact CG2-SD 4.5Å; A247-M283 CarbonylContact O-C 3.33Å; A247-M283 WeakPolarHBondContact O-CA 3.27Å; D249-M283 HydrophobicContact CB-CG 4.12Å; D249-M283 HydrophobicContact CB-SD 3.88Å; M283-L285 HydrophobicContact CE-CB 3.77Å; M283-L285 HydrophobicContact CE-CD2 3.82Å; M283-L285 HydrophobicContact CE-CG 4.41Å; M283-L285 HydrophobicContact CG-CB 4.33Å; M283-L285 PolarHBondContact O-N 3.12Å
284M93.1Very high88.9Confident1 Ų135 Ų351%0.00516%0.158CC..SBendtrans-7757.9-179.7-65.3-54.7105.100111.1A138 I139 I246 A247 H282 F331 Y337A138-M284 CarbonylContact C-O 3.22Å; A138-M284 WeakPolarHBondContact CA-O 3.28Å; A138-M284 WeakPolarHBondContact CB-O 2.88Å; I139-M284 HydrophobicContact CB-CB 3.77Å; I139-M284 HydrophobicContact CB-CG 4.12Å; I139-M284 HydrophobicContact CD1-CB 4.4Å; I139-M284 HydrophobicContact CD1-CG 4.12Å; I139-M284 HydrophobicContact CD1-SD 4.22Å; I139-M284 HydrophobicContact CG1-CB 4.16Å; I139-M284 HydrophobicContact CG1-CG 4.4Å; I139-M284 PolarHBondContact N-O 3.06Å; I246-M284 HydrophobicContact CG2-CB 4.3Å; I246-M284 VanDerWaalsContact CG2-O 3.3Å; I246-M284 WeakPolarHBondContact CG2-O 3.17Å; A247-M284 HydrophobicContact CB-CB 4.07Å; A247-M284 HydrophobicContact CB-CG 3.83Å; A247-M284 WeakPolarHBondContact O-CB 3.16Å; A247-M284 PolarHBondContact O-N 2.97Å; H282-M284 WeakPolarHBondContact O-CE 3.49Å; M284-F331 HydrophobicContact CB-CE2 4.25Å; M284-Y337 HydrophobicContact CE-CD2 3.9Å; M284-Y337 HydrophobicContact CE-CE1 4.15Å; M284-Y337 HydrophobicContact CE-CE2 3.01Å; M284-Y337 WeakPolarHBondContact CE-OH 3.27Å; M284-Y337 HydrophobicContact CG-CD2 4.48Å; M284-Y337 HydrophobicContact CG-CE2 4.4Å; M284-Y337 HydrophobicContact SD-CD2 3.43Å; M284-Y337 WeakPolarHBondContact SD-CD2 3.44Å; M284-Y337 HydrophobicContact SD-CE2 3.04Å; M284-Y337 WeakPolarHBondContact SD-CE2 3.48Å
285L95.1Very high89.2Confident5 Ų538 Ų383%0.02617%0.171CC..EExtended strand (participates in β ladder)trans-129.7128.3171.2-17661.4000108.5T107 S108 Y136 A138 L224 L234 R235 I246 M283T107-L285 HydrophobicContact CG2-CB 4.24Å; T107-L285 HydrophobicContact CG2-CD2 4.04Å; T107-L285 HydrophobicContact CG2-CG 3.84Å; T107-L285 WeakPolarHBondContact CG2-O 3.46Å; S108-L285 PolarHBondContact N-O 2.77Å; S108-L285 PolarHBondContact OG-O 3.47Å; Y136-L285 HydrophobicContact CD1-CD1 4.15Å; Y136-L285 HydrophobicContact CD1-CG 4.32Å; Y136-L285 HydrophobicContact CG-CD1 4.39Å; A138-L285 HydrophobicContact CB-CD1 3.89Å; L224-L285 HydrophobicContact CD1-CD1 3.81Å; L234-L285 HydrophobicContact CB-CD2 4.26Å; L234-L285 HydrophobicContact CD1-CD1 4.1Å; L234-L285 HydrophobicContact CD1-CD2 4.32Å; R235-L285 HydrophobicContact CG-CD2 4.3Å; I246-L285 HydrophobicContact CD1-CB 4.2Å; I246-L285 HydrophobicContact CD1-CD1 4.1Å; I246-L285 HydrophobicContact CD1-CD2 3.99Å; I246-L285 HydrophobicContact CD1-CG 4.32Å; I246-L285 HydrophobicContact CG2-CB 4.25Å; M283-L285 HydrophobicContact CE-CB 3.77Å; M283-L285 HydrophobicContact CE-CD2 3.82Å; M283-L285 HydrophobicContact CE-CG 4.41Å; M283-L285 HydrophobicContact CG-CB 4.33Å; M283-L285 PolarHBondContact O-N 3.12Å
286H94.9Very high89Confident0 Ų035.4 Ų35.40%016%0.161CC..EExtended strand (participates in β ladder)trans-134.3123.1-175.6-175.464.5000111.6S108 G109 Y136 L137 Y288 T325 N328 F331S108-H286 VanDerWaalsContact C-ND1 3.3Å; S108-H286 CarbonylContact O-C 3.58Å; S108-H286 WeakPolarHBondContact O-CA 3.38Å; S108-H286 PolarHBondContact O-ND1 3.26Å; S108-H286 PolarHBondContact OG-ND1 3.43Å; G109-H286 WeakPolarHBondContact CA-CE1 3.43Å; G109-H286 WeakPolarHBondContact CA-ND1 3.42Å; G109-H286 PolarHBondContact N-CE1 3.16Å; G109-H286 PolarHBondContact N-ND1 2.86Å; Y136-H286 CarbonylContact C-O 3.54Å; Y136-H286 WeakPolarHBondContact CA-O 3.39Å; Y136-H286 WeakPolarHBondContact CB-O 3.45Å; L137-H286 PolarHBondContact N-O 2.84Å; L137-H286 PolarHBondContact O-N 2.84Å; H286-Y288 PolarHBondContact O-N 3.01Å; H286-T325 WeakPolarHBondContact NE2-CB 3.47Å; H286-T325 WeakPolarHBondContact NE2-CG2 3.22Å; H286-T325 PolarHBondContact NE2-OG1 2.72Å; H286-N328 PolarHBondContact CD2-ND2 3.29Å; H286-N328 VanDerWaalsContact CE1-CG 3.41Å; H286-N328 PolarHBondContact CE1-ND2 3.38Å; H286-N328 PolarHBondContact ND1-ND2 2.95Å; H286-N328 PolarHBondContact NE2-ND2 3.2Å; H286-F331 HydrophobicContact CB-CB 4.03Å; H286-F331 HydrophobicContact CB-CD2 3.71Å; H286-F331 HydrophobicContact CB-CE2 4.35Å; H286-F331 HydrophobicContact CB-CG 3.93Å
287A95.9Very high88Confident4 Ų437.7 Ų37.73%0.03317%0.173CC..EExtended strand (participates in β ladder)trans-73.294.2170.500000109.6L103 S108 G109 L110 Y136L103-A287 HydrophobicContact CD1-CB 4.07Å; L103-A287 HydrophobicContact CD2-CB 4.34Å; S108-A287 PolarHBondContact O-N 2.96Å; G109-A287 WeakPolarHBondContact CA-O 3.15Å; L110-A287 HydrophobicContact CB-CB 4.45Å; L110-A287 WeakPolarHBondContact CG-O 3.39Å; L110-A287 PolarHBondContact N-O 2.87Å; Y136-A287 VanDerWaalsContact CD1-CA 3.49Å; Y136-A287 HydrophobicContact CD1-CB 3.84Å; Y136-A287 HydrophobicContact CE1-CB 3.54Å
288Y93.7Very high86.7Confident36 Ų3643 Ų4314%0.14120%0.202CC..EExtended strand (participates in β ladder)trans-84.2-53-166.7175-113.7000113.3L110 Y135 L137 H286 Q324 T325 L361L110-Y288 VanDerWaalsContact CD1-O 3.28Å; L110-Y288 WeakPolarHBondContact CD1-O 3.32Å; Y135-Y288 WeakPolarHBondContact O-CB 3.35Å; Y135-Y288 PolarHBondContact O-N 3.15Å; L137-Y288 HydrophobicContact CD1-CD1 4.32Å; L137-Y288 HydrophobicContact CD1-CD2 3.51Å; L137-Y288 HydrophobicContact CD1-CE2 3.92Å; L137-Y288 HydrophobicContact CD1-CG 3.71Å; L137-Y288 HydrophobicContact CG-CD1 4.3Å; L137-Y288 HydrophobicContact CG-CD2 4.19Å; L137-Y288 HydrophobicContact CG-CG 3.86Å; H286-Y288 PolarHBondContact O-N 3.01Å; Y288-Q324 HydrophobicContact CE1-CG 4.21Å; Y288-Q324 HydrophobicContact CE2-CG 4.11Å; Y288-Q324 VanDerWaalsContact CZ-NE2 3.31Å; Y288-Q324 WeakPolarHBondContact O-CA 3.34Å; Y288-Q324 PolarHBondContact OH-NE2 2.89Å; Y288-T325 VanDerWaalsContact CD2-OG1 3.28Å; Y288-T325 WeakPolarHBondContact CD2-OG1 3.15Å; Y288-T325 PolarHBondContact O-N 3.32Å; Y288-T325 VanDerWaalsContact O-N 3.08Å; Y288-T325 PolarHBondContact O-OG1 2.91Å; Y288-L361 HydrophobicContact CD1-CD2 4.1Å; Y288-L361 HydrophobicContact CE1-CD2 3.35Å
289T94.6Very high85.2Confident12 Ų1245.5 Ų45.57%0.07422%0.215CC..EExtended strand (participates in β ladder)trans-131141.2-178-60.70000110.5K134 Y135 K291 Q322 F323K134-T289 WeakPolarHBondContact CA-O 3.36Å; Y135-T289 HydrophobicContact CD2-CG2 3.93Å; Y135-T289 HydrophobicContact CE2-CG2 4.48Å; Y135-T289 PolarHBondContact N-O 3.46Å; Y135-T289 PolarHBondContact O-N 2.88Å; Y135-T289 VanDerWaalsContact O-N 3.12Å; T289-K291 HydrophobicContact CG2-CG 4.41Å; T289-Q322 HydrophobicContact CG2-CG 4.39Å; T289-F323 CarbonylContact C-O 3.54Å; T289-F323 VanDerWaalsContact CA-O 3.27Å; T289-F323 WeakPolarHBondContact CA-O 3.44Å; T289-F323 WeakPolarHBondContact CG2-O 3.48Å
290M95Very high83.7Confident6 Ų641.2 Ų41.23%0.0320%0.198CC..EExtended strand (participates in β ladder)trans-136.1124.2174.7-177.4169.155.900109.3V56 L110 C112 F127 V132 K133 I292 F323V56-M290 HydrophobicContact CG1-CE 3.86Å; V56-M290 HydrophobicContact CG2-CE 4.17Å; L110-M290 HydrophobicContact CB-CE 4.33Å; L110-M290 HydrophobicContact CD1-CB 3.97Å; C112-M290 HydrophobicContact CB-CE 3.76Å; C112-M290 HydrophobicContact CB-SD 4.41Å; F127-M290 HydrophobicContact CZ-SD 3.99Å; V132-M290 HydrophobicContact CG1-CG 3.84Å; V132-M290 HydrophobicContact CG1-SD 4.31Å; K133-M290 WeakPolarHBondContact O-CA 3.48Å; M290-I292 HydrophobicContact CE-CD1 3.98Å; M290-I292 HydrophobicContact CG-CD1 4.2Å; M290-I292 HydrophobicContact CG-CG1 3.85Å; M290-I292 HydrophobicContact SD-CD1 3.97Å; M290-I292 HydrophobicContact SD-CG1 4.26Å; M290-F323 HydrophobicContact CE-CD2 4.08Å; M290-F323 PolarHBondContact N-O 3.02Å; M290-F323 WeakPolarHBondContact O-CD2 3.34Å; M290-F323 PolarHBondContact O-N 3.33Å
291K95.1Very high81.8Confident51 Ų5146.3 Ų46.322%0.22222%0.219CC..EExtended strand (participates in β ladder)trans-110122.9172.4-51.4-169.5-174-155.80109.1V132 K133 T289 Y321 Q322V132-K291 CarbonylContact C-O 3.57Å; V132-K291 WeakPolarHBondContact CA-O 3.22Å; V132-K291 WeakPolarHBondContact CG1-O 3.38Å; K133-K291 HydrophobicContact CB-CB 4.22Å; K133-K291 PolarHBondContact N-O 3.28Å; K133-K291 PolarHBondContact O-N 3.09Å; T289-K291 HydrophobicContact CG2-CG 4.41Å; K291-Y321 CarbonylContact C-O 3.56Å; K291-Y321 VanDerWaalsContact CA-O 3.22Å; K291-Y321 WeakPolarHBondContact CA-O 3.35Å; K291-Q322 HydrophobicContact CD-CG 4.45Å; K291-Q322 HydrophobicContact CG-CB 4.28Å; K291-Q322 HydrophobicContact CG-CG 4.1Å
292I92.8Very high79.8Confident1 Ų148 Ų481%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-119.6120.3-178.6-52.8-176.1000108C112 A126 V132 M290 L294 Y321 F323C112-I292 HydrophobicContact CB-CD1 4.33Å; A126-I292 HydrophobicContact CB-CG2 4.42Å; V132-I292 HydrophobicContact CG1-CG1 4.06Å; V132-I292 HydrophobicContact CG2-CG1 4.27Å; V132-I292 HydrophobicContact CG2-CG2 4.17Å; M290-I292 HydrophobicContact CE-CD1 3.98Å; M290-I292 HydrophobicContact CG-CD1 4.2Å; M290-I292 HydrophobicContact CG-CG1 3.85Å; M290-I292 HydrophobicContact SD-CD1 3.97Å; M290-I292 HydrophobicContact SD-CG1 4.26Å; I292-L294 HydrophobicContact CG2-CD2 3.5Å; I292-L294 HydrophobicContact CG2-CG 3.81Å; I292-Y321 PolarHBondContact N-O 2.78Å; I292-Y321 PolarHBondContact O-N 3.4Å; I292-F323 HydrophobicContact CD1-CE2 3.98Å; I292-F323 HydrophobicContact CG1-CE2 4.18Å
293K89.9Confident77.7Confident80 Ų8049.9 Ų49.935%0.34825%0.248SC..EExtended strand (participates in β ladder)trans-92120.8167.4-166.9173.9-176.9-173.80108.7E318K293-E318 WeakPolarHBondContact CE-OE1 3.44Å; K293-E318 IonicContact NZ-OE1 3.27Å; K293-E318 PolarHBondContact NZ-OE1 2.87Å
294L87.5Confident75.3Confident2 Ų257 Ų571%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-112129.2177.9-65.8-175000109.8F54 M122 I123 A126 I292 E318 K319 Y321F54-L294 HydrophobicContact CE1-CD1 4.11Å; F54-L294 HydrophobicContact CZ-CD1 4.43Å; M122-L294 HydrophobicContact CB-CD2 4.42Å; M122-L294 HydrophobicContact CE-CB 3.94Å; I123-L294 HydrophobicContact CB-CD2 4.45Å; I123-L294 HydrophobicContact CG1-CD1 4.24Å; I123-L294 HydrophobicContact CG1-CD2 3.73Å; A126-L294 HydrophobicContact CB-CD2 4.45Å; I292-L294 HydrophobicContact CG2-CD2 3.5Å; I292-L294 HydrophobicContact CG2-CG 3.81Å; L294-E318 WeakPolarHBondContact O-CA 3.4Å; L294-K319 PolarHBondContact N-O 3.23Å; L294-K319 PolarHBondContact O-N 3.33Å; L294-Y321 HydrophobicContact CB-CE2 4.25Å; L294-Y321 HydrophobicContact CD1-CD2 4.12Å; L294-Y321 HydrophobicContact CD1-CE2 3.71Å; L294-Y321 HydrophobicContact CG-CD2 4.25Å; L294-Y321 HydrophobicContact CG-CE2 4.11Å
295Q80.6Confident72.7Confident87 Ų8762 Ų6241%0.40731%0.313SS..EExtended strand (participates in β ladder)trans-128.7130176.9-70-179.5-13.600110.1E317 E318Q295-E317 WeakPolarHBondContact CA-O 3.41Å; Q295-E318 HydrophobicContact CG-CB 4.36Å; Q295-E318 HydrophobicContact CG-CG 3.9Å; Q295-E318 PolarHBondContact NE2-OE1 3.21Å
296A73.2Confident70Confident28 Ų2868.4 Ų68.423%0.23135%0.352CS..  trans-74.4138.9175.700000110.9E317A296-E317 PolarHBondContact N-O 2.87Å; A296-E317 VanDerWaalsContact N-O 3.09Å
297N65.7Low67.2Low61 Ų6174.5 Ų74.533%0.32639%0.393SS..  trans-83.4147-179-127.1-1.1000111.9R125 K299 E300 K301R125-N297 PolarHBondContact NH1-ND2 3.34Å; R125-N297 VanDerWaalsContact NH1-ND2 3.1Å; R125-N297 PolarHBondContact NH1-OD1 3.16Å; N297-K299 PolarHBondContact O-N 3.12Å; N297-K299 VanDerWaalsContact O-N 3.12Å; N297-E300 HydrophobicContact CB-CB 4.5Å; N297-E300 HydrophobicContact CB-CG 4.29Å; N297-E300 PolarHBondContact O-N 3.31Å; N297-K301 PolarHBondContact O-N 3.28Å; N297-K301 VanDerWaalsContact O-N 3.16Å
298N56.5Low64.5Low115 Ų11576.1 Ų76.162%0.61541%0.407SS*.Hα-helixtrans-58-27.6174.3-76.7-11.6000113.5K301N298-K301 WeakPolarHBondContact O-CB 3.5Å; N298-K301 PolarHBondContact O-N 3.35Å; N298-K301 WeakPolarHBondContact OD1-CD 3.36Å; N298-K301 VanDerWaalsContact OD1-CE 3.28Å; N298-K301 WeakPolarHBondContact OD1-CE 3.4Å; N298-K301 PolarHBondContact OD1-NZ 2.95Å
299K53.1Low62.1Low185 Ų18580.4 Ų80.480%0.80443%0.432SS*.Hα-helixtrans-71.3-27.1173.3-73.7-172.7176.9-178.90113.6N297N297-K299 PolarHBondContact O-N 3.12Å; N297-K299 VanDerWaalsContact O-N 3.12Å
300E51.8Low59.7Low57 Ų5789.9 Ų89.927%0.26647%0.472SS..Hα-helixtrans-84.5-18.4176.1-67.8172.9164.900111.6N297 N302N297-E300 HydrophobicContact CB-CB 4.5Å; N297-E300 HydrophobicContact CB-CG 4.29Å; N297-E300 PolarHBondContact O-N 3.31Å; E300-N302 VanDerWaalsContact C-N 3.31Å; E300-N302 PolarHBondContact O-N 2.91Å
301K46.7Very low57.3Low120 Ų12096.1 Ų96.152%0.52251%0.506SS..Hα-helixtrans-65.2-30.8171.1-64.1-176.8-178172.40113.1N297 N298N297-K301 PolarHBondContact O-N 3.28Å; N297-K301 VanDerWaalsContact O-N 3.16Å; N298-K301 WeakPolarHBondContact O-CB 3.5Å; N298-K301 PolarHBondContact O-N 3.35Å; N298-K301 WeakPolarHBondContact OD1-CD 3.36Å; N298-K301 VanDerWaalsContact OD1-CE 3.28Å; N298-K301 WeakPolarHBondContact OD1-CE 3.4Å; N298-K301 PolarHBondContact OD1-NZ 2.95Å
302N40.6Very low55.3Low138 Ų13895.2 Ų95.274%0.73851%0.505SS*.SBendtrans-105.33.1-175.8-76.13000114.6E300 D304E300-N302 VanDerWaalsContact C-N 3.31Å; E300-N302 PolarHBondContact O-N 2.91Å; N302-D304 VanDerWaalsContact C-N 3.31Å; N302-D304 PolarHBondContact O-N 3.48Å
303S43.7Very low53.5Low56 Ų56100.9 Ų100.939%0.39253%0.528SS..  trans-8082.6176.674.90000110.4N305S303-N305 PolarHBondContact O-N 2.84Å; S303-N305 VanDerWaalsContact O-N 3.07Å
304D42.6Very low52Low151 Ų151106.9 Ų106.981%0.80755%0.554SS**  trans-70.596.2159.7-73.4-30.5000108.5N302N302-D304 VanDerWaalsContact C-N 3.31Å; N302-D304 PolarHBondContact O-N 3.48Å
305N38.1Very low50.6Low106 Ų106108.5 Ų108.557%0.56756%0.562SS**  trans-0.9106.6168.2-57.7-37.9000119.1S303 A308S303-N305 PolarHBondContact O-N 2.84Å; S303-N305 VanDerWaalsContact O-N 3.07Å; N305-A308 HydrophobicContact CB-CB 4.32Å; N305-A308 WeakPolarHBondContact OD1-CB 3.38Å
306V38.8Very low49.7Very low140 Ų140106 Ų10685%0.84855%0.554SS**SBendtrans-110.9-23.2155.5-179.50000113.1
307C34.5Very low49.1Very low129 Ų129112.3 Ų112.387%0.87258%0.578SS**SBendtrans-138.328.7-179.8-68.40000114.3
308A40Very low49.5Very low38 Ų38114.6 Ų114.631%0.31459%0.587SS.*  trans-78.4133175.700000110.3N305 K310N305-A308 HydrophobicContact CB-CB 4.32Å; N305-A308 WeakPolarHBondContact OD1-CB 3.38Å; A308-K310 PolarHBondContact O-N 2.95Å
309N44.1Very low50.8Low125 Ų125113.4 Ų113.467%0.66858%0.576SS**  trans-50133.3154.4-88.3-15.8000107D311 S312N309-D311 PolarHBondContact O-N 3.4Å; N309-S312 PolarHBondContact O-N 2.87Å
310K43.8Very low52.4Low211 Ų211110.5 Ų110.592%0.91757%0.566SS**THydrogen-bonded Turntrans-56.3-12.7-176.7-77.8-177.1173.7-178.70114A308A308-K310 PolarHBondContact O-N 2.95Å
311D45Very low54.3Low138 Ų138108.4 Ų108.474%0.73856%0.555SS**THydrogen-bonded Turntrans-10318.9179.8-53.4-41000114.3N309 Y313N309-D311 PolarHBondContact O-N 3.4Å; D311-Y313 PolarHBondContact O-N 3.03Å; D311-Y313 VanDerWaalsContact O-N 3.1Å
312S52.3Low56.5Low31 Ų31107 Ų10722%0.21755%0.551CS.*  trans-66.7113.3177.274.80000110.6N309N309-S312 PolarHBondContact O-N 2.87Å
313Y55.1Low59Low121 Ų121101 Ų10148%0.47552%0.518SS..PPolyproline II helixtrans-62.5140.1179.5-74-89.1000111.9Y115 D311 L315Y115-Y313 HydrophobicContact CE2-CE2 4.41Å; D311-Y313 PolarHBondContact O-N 3.03Å; D311-Y313 VanDerWaalsContact O-N 3.1Å; Y313-L315 PolarHBondContact O-N 3.05Å
314K58.7Low61.3Low206 Ų206100.5 Ų100.590%0.89651%0.509SS*.PPolyproline II helixtrans-69.3119.7166.2-84.4-174.8175.7-177.90108.9
315L58.6Low63.5Low36 Ų3693.6 Ų93.619%0.18847%0.473CS..PPolyproline II helixtrans-83.4145.2178.9-73.8141.7000110.2K118 A119 M122 Y313K118-L315 HydrophobicContact CB-CD1 3.63Å; A119-L315 HydrophobicContact CB-CD2 4.34Å; M122-L315 HydrophobicContact CE-CB 4.34Å; M122-L315 HydrophobicContact CE-CD2 4.25Å; M122-L315 HydrophobicContact SD-CB 4.02Å; M122-L315 HydrophobicContact SD-CD1 3.51Å; M122-L315 VanDerWaalsContact SD-CD1 3.51Å; M122-L315 HydrophobicContact SD-CD2 3.93Å; M122-L315 HydrophobicContact SD-CG 3.99Å; Y313-L315 PolarHBondContact O-N 3.05Å
316P61.8Low65Low35 Ų3594.6 Ų94.623%0.22748%0.478CS..PPolyproline II helixtrans-67.1152.6176.828-33.1000111.7K319P316-K319 HydrophobicContact CB-CB 4.18Å; P316-K319 HydrophobicContact CG-CB 3.82Å; P316-K319 HydrophobicContact CG-CD 4.29Å
317E60.3Low66.3Low159 Ų15994.9 Ų94.974%0.74348%0.475SS*.SBendtrans-61.3-46.8-178.6-66.1-169.8151.200112.1Q295 A296Q295-E317 WeakPolarHBondContact CA-O 3.41Å; A296-E317 PolarHBondContact N-O 2.87Å; A296-E317 VanDerWaalsContact N-O 3.09Å
318E72.8Confident67.9Low109 Ų10989.9 Ų89.951%0.50944%0.439SS..EExtended strand (participates in β ladder)trans-152.2125.1172.3-176.1165-160.500109.2K293 L294 Q295K293-E318 WeakPolarHBondContact CE-OE1 3.44Å; K293-E318 IonicContact NZ-OE1 3.27Å; K293-E318 PolarHBondContact NZ-OE1 2.87Å; L294-E318 WeakPolarHBondContact O-CA 3.4Å; Q295-E318 HydrophobicContact CG-CB 4.36Å; Q295-E318 HydrophobicContact CG-CG 3.9Å; Q295-E318 PolarHBondContact NE2-OE1 3.21Å
319K83.9Confident69.3Low91 Ų9191.2 Ų91.240%0.39645%0.445SS..EExtended strand (participates in β ladder)trans-146.4130.8175.9-175166.4171.5-176.90110.8L294 P316 Y321L294-K319 PolarHBondContact N-O 3.23Å; L294-K319 PolarHBondContact O-N 3.33Å; P316-K319 HydrophobicContact CB-CB 4.18Å; P316-K319 HydrophobicContact CG-CB 3.82Å; P316-K319 HydrophobicContact CG-CD 4.29Å; K319-Y321 HydrophobicContact CB-CE2 3.76Å; K319-Y321 HydrophobicContact CD-CE1 4.06Å; K319-Y321 HydrophobicContact CD-CE2 4.02Å; K319-Y321 WeakPolarHBondContact CD-OH 3.43Å; K319-Y321 HydrophobicContact CG-CD2 4.2Å; K319-Y321 HydrophobicContact CG-CE1 4.41Å; K319-Y321 HydrophobicContact CG-CE2 3.65Å; K319-Y321 WeakPolarHBondContact O-CD2 3.19Å
320E87.8Confident70.8Confident124 Ų12485.4 Ų85.458%0.57941%0.414SS*.EExtended strand (participates in β ladder)trans-90.2134.1169.7-171.4170.1-171.400109.9
321Y90.5Very high72.3Confident12 Ų1276.4 Ų76.45%0.04738%0.375CS..EExtended strand (participates in β ladder)trans-118.3133175.6-61.6-101.1000108.8Q52 F54 K291 I292 L294 K319 F323Q52-Y321 PolarHBondContact NE2-OH 3.43Å; Q52-Y321 VanDerWaalsContact OE1-CZ 3.26Å; Q52-Y321 PolarHBondContact OE1-OH 2.9Å; F54-Y321 HydrophobicContact CZ-CD1 4.16Å; F54-Y321 HydrophobicContact CZ-CE1 4.07Å; F54-Y321 HydrophobicContact CZ-CG 4.47Å; K291-Y321 CarbonylContact C-O 3.56Å; K291-Y321 VanDerWaalsContact CA-O 3.22Å; K291-Y321 WeakPolarHBondContact CA-O 3.35Å; I292-Y321 PolarHBondContact N-O 2.78Å; I292-Y321 PolarHBondContact O-N 3.4Å; L294-Y321 HydrophobicContact CB-CE2 4.25Å; L294-Y321 HydrophobicContact CD1-CD2 4.12Å; L294-Y321 HydrophobicContact CD1-CE2 3.71Å; L294-Y321 HydrophobicContact CG-CD2 4.25Å; L294-Y321 HydrophobicContact CG-CE2 4.11Å; K319-Y321 HydrophobicContact CB-CE2 3.76Å; K319-Y321 HydrophobicContact CD-CE1 4.06Å; K319-Y321 HydrophobicContact CD-CE2 4.02Å; K319-Y321 WeakPolarHBondContact CD-OH 3.43Å; K319-Y321 HydrophobicContact CG-CD2 4.2Å; K319-Y321 HydrophobicContact CG-CE1 4.41Å; K319-Y321 HydrophobicContact CG-CE2 3.65Å; K319-Y321 WeakPolarHBondContact O-CD2 3.19Å; Y321-F323 HydrophobicContact CD1-CE1 4.42Å; Y321-F323 AromaticContact CD1-CZ 3.96Å; Y321-F323 HydrophobicContact CD1-CZ 3.96Å; Y321-F323 HydrophobicContact CG-CE2 4.5Å; Y321-F323 AromaticContact CG-CZ 3.96Å; Y321-F323 HydrophobicContact CG-CZ 3.96Å
322Q93.3Very high73.6Confident91 Ų9172 Ų7243%0.42535%0.351SS..EExtended strand (participates in β ladder)trans-118.3128.7171.4176167.2-28.900108.8T289 K291T289-Q322 HydrophobicContact CG2-CG 4.39Å; K291-Q322 HydrophobicContact CD-CG 4.45Å; K291-Q322 HydrophobicContact CG-CB 4.28Å; K291-Q322 HydrophobicContact CG-CG 4.1Å
323F93.8Very high74.2Confident11 Ų1172.3 Ų72.35%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-123.3141.2177.9-49-71000109.1V48 H49 F54 V56 L110 T289 M290 I292 Y321V48-F323 HydrophobicContact CG1-CB 4.38Å; H49-F323 HydrophobicContact CB-CD1 3.86Å; H49-F323 HydrophobicContact CB-CE1 3.44Å; H49-F323 VanDerWaalsContact CB-CE1 3.44Å; H49-F323 HydrophobicContact CB-CZ 4.33Å; H49-F323 AromaticContact CG-CE1 3.51Å; H49-F323 AromaticContact ND1-CE1 3.89Å; F54-F323 HydrophobicContact CE2-CE2 4.33Å; F54-F323 AromaticContact CE2-CZ 3.73Å; F54-F323 HydrophobicContact CE2-CZ 3.73Å; F54-F323 HydrophobicContact CZ-CZ 4.11Å; V56-F323 HydrophobicContact CB-CD1 4.32Å; V56-F323 HydrophobicContact CB-CG 4.33Å; V56-F323 HydrophobicContact CG1-CB 4.18Å; V56-F323 HydrophobicContact CG1-CD2 4.38Å; V56-F323 HydrophobicContact CG1-CG 4.1Å; V56-F323 HydrophobicContact CG2-CD1 4.07Å; V56-F323 HydrophobicContact CG2-CD2 3.85Å; V56-F323 HydrophobicContact CG2-CE1 3.94Å; V56-F323 HydrophobicContact CG2-CE2 3.7Å; V56-F323 HydrophobicContact CG2-CG 4.02Å; V56-F323 HydrophobicContact CG2-CZ 3.73Å; L110-F323 HydrophobicContact CD1-CB 3.9Å; L110-F323 WeakPolarHBondContact CD1-O 3.02Å; L110-F323 HydrophobicContact CD2-CB 4.46Å; T289-F323 CarbonylContact C-O 3.54Å; T289-F323 VanDerWaalsContact CA-O 3.27Å; T289-F323 WeakPolarHBondContact CA-O 3.44Å; T289-F323 WeakPolarHBondContact CG2-O 3.48Å; M290-F323 HydrophobicContact CE-CD2 4.08Å; M290-F323 PolarHBondContact N-O 3.02Å; M290-F323 WeakPolarHBondContact O-CD2 3.34Å; M290-F323 PolarHBondContact O-N 3.33Å; I292-F323 HydrophobicContact CD1-CE2 3.98Å; I292-F323 HydrophobicContact CG1-CE2 4.18Å; Y321-F323 HydrophobicContact CD1-CE1 4.42Å; Y321-F323 AromaticContact CD1-CZ 3.96Å; Y321-F323 HydrophobicContact CD1-CZ 3.96Å; Y321-F323 HydrophobicContact CG-CE2 4.5Å; Y321-F323 AromaticContact CG-CZ 3.96Å; Y321-F323 HydrophobicContact CG-CZ 3.96Å
324Q92.1Very high74.5Confident46 Ų4672.6 Ų72.622%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-146.3149.6-178.6-173.3175.53.400110.3Y288 N326Y288-Q324 HydrophobicContact CE1-CG 4.21Å; Y288-Q324 HydrophobicContact CE2-CG 4.11Å; Y288-Q324 VanDerWaalsContact CZ-NE2 3.31Å; Y288-Q324 WeakPolarHBondContact O-CA 3.34Å; Y288-Q324 PolarHBondContact OH-NE2 2.89Å; Q324-N326 WeakPolarHBondContact CG-OD1 3.26Å
325T87.9Confident74.3Confident7 Ų769 Ų694%0.04335%0.35CS..  trans-95.293.5172.756.20000110.1N58 L110 H286 Y288N58-T325 HydrophobicContact CB-CG2 4.36Å; L110-T325 HydrophobicContact CD2-CG2 3.65Å; L110-T325 HydrophobicContact CG-CG2 3.81Å; H286-T325 WeakPolarHBondContact NE2-CB 3.47Å; H286-T325 WeakPolarHBondContact NE2-CG2 3.22Å; H286-T325 PolarHBondContact NE2-OG1 2.72Å; Y288-T325 VanDerWaalsContact CD2-OG1 3.28Å; Y288-T325 WeakPolarHBondContact CD2-OG1 3.15Å; Y288-T325 PolarHBondContact O-N 3.32Å; Y288-T325 VanDerWaalsContact O-N 3.08Å; Y288-T325 PolarHBondContact O-OG1 2.91Å
326N69.5Low74Confident126 Ų12668.1 Ų68.167%0.67435%0.349SS*.SBendtrans-75.1-37-175.8-62.3-4.2000112.6Q324Q324-N326 WeakPolarHBondContact CG-OD1 3.26Å
327N66.1Low74Confident147 Ų14767 Ų6779%0.78634%0.34SS*.SBendtrans-117.3100.8175.4-72.3-10000109.2P329N327-P329 WeakPolarHBondContact O-CD 3.47Å
328N68.4Low74.3Confident23 Ų2365 Ų6512%0.12333%0.334CS..  trans-11495.3-178.9-172.417.5000113.4H286 F330 F331H286-N328 PolarHBondContact CD2-ND2 3.29Å; H286-N328 VanDerWaalsContact CE1-CG 3.41Å; H286-N328 PolarHBondContact CE1-ND2 3.38Å; H286-N328 PolarHBondContact ND1-ND2 2.95Å; H286-N328 PolarHBondContact NE2-ND2 3.2Å; N328-F330 PolarHBondContact O-N 3.27Å; N328-F330 VanDerWaalsContact O-N 3.13Å; N328-F330 VanDerWaalsContact OD1-CB 3.31Å; N328-F330 WeakPolarHBondContact OD1-CB 3.22Å; N328-F330 WeakPolarHBondContact OD1-CD2 3.3Å; N328-F330 PolarHBondContact OD1-N 2.88Å; N328-F331 WeakPolarHBondContact ND2-CB 3.36Å; N328-F331 PolarHBondContact ND2-N 3.1Å; N328-F331 CarbonylContact O-C 3.54Å; N328-F331 PolarHBondContact O-N 2.75Å; N328-F331 VanDerWaalsContact O-N 3.16Å
329P69.3Low74.7Confident66 Ų6660.8 Ų60.843%0.42931%0.313SS..THydrogen-bonded Turntrans-71.4-7.3176.533.3-37.8000112.9N327N327-P329 WeakPolarHBondContact O-CD 3.47Å
330F76.6Confident74.6Confident4 Ų461.9 Ų61.92%0.01832%0.32CS..THydrogen-bonded Turntrans-89.3-14.6175.2-48.5-52.3000112.7H60 P61 H282 N328H60-F330 HydrophobicContact CB-CZ 4.2Å; H60-F330 AromaticContact CD2-CE1 3.19Å; H60-F330 WeakPolarHBondContact CD2-CE1 3.35Å; H60-F330 AromaticContact CD2-CZ 3.37Å; H60-F330 WeakPolarHBondContact CD2-CZ 2.98Å; H60-F330 AromaticContact NE2-CE1 3.55Å; P61-F330 HydrophobicContact CG-CB 4.3Å; P61-F330 HydrophobicContact CG-CD1 4.27Å; P61-F330 HydrophobicContact CG-CG 4.3Å; H282-F330 PolarHBondContact CE1-O 2.9Å; H282-F330 PolarHBondContact NE2-O 3.13Å; N328-F330 PolarHBondContact O-N 3.27Å; N328-F330 VanDerWaalsContact O-N 3.13Å; N328-F330 VanDerWaalsContact OD1-CB 3.31Å; N328-F330 WeakPolarHBondContact OD1-CB 3.22Å; N328-F330 WeakPolarHBondContact OD1-CD2 3.3Å; N328-F330 PolarHBondContact OD1-N 2.88Å
331F74.8Confident74.2Confident21 Ų2161.6 Ų61.69%0.09232%0.317CS..SBendtrans-137.160178.4-161.1-90000108L137 I139 H221 M284 H286 N328L137-F331 HydrophobicContact CB-CD1 4.12Å; L137-F331 HydrophobicContact CB-CE1 3.58Å; L137-F331 HydrophobicContact CB-CE2 4.36Å; L137-F331 HydrophobicContact CB-CZ 3.71Å; L137-F331 HydrophobicContact CD1-CD1 4.28Å; L137-F331 HydrophobicContact CD1-CE1 4.22Å; L137-F331 HydrophobicContact CG-CE1 4.5Å; I139-F331 HydrophobicContact CD1-CZ 4.41Å; I139-F331 HydrophobicContact CG1-CE2 4.15Å; I139-F331 HydrophobicContact CG1-CZ 3.77Å; H221-F331 AromaticContact CD2-CE1 3.96Å; H221-F331 AromaticContact NE2-CE1 3.53Å; M284-F331 HydrophobicContact CB-CE2 4.25Å; H286-F331 HydrophobicContact CB-CB 4.03Å; H286-F331 HydrophobicContact CB-CD2 3.71Å; H286-F331 HydrophobicContact CB-CE2 4.35Å; H286-F331 HydrophobicContact CB-CG 3.93Å; N328-F331 WeakPolarHBondContact ND2-CB 3.36Å; N328-F331 PolarHBondContact ND2-N 3.1Å; N328-F331 CarbonylContact O-C 3.54Å; N328-F331 PolarHBondContact O-N 2.75Å; N328-F331 VanDerWaalsContact O-N 3.16Å
332N70.9Confident73.6Confident47 Ų4762.8 Ų62.825%0.25132%0.324SS..  trans-97.6114170.5-173.8-12.6000108.2N334 D335 A336N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.83Å; N332-N334 PolarHBondContact OD1-N 3.06Å; N332-D335 HydrophobicContact CB-CB 4.1Å; N332-D335 WeakPolarHBondContact ND2-CB 3.24Å; N332-D335 PolarHBondContact ND2-OD2 3.03Å; N332-D335 PolarHBondContact OD1-N 3.19Å; N332-A336 WeakPolarHBondContact O-CB 3.27Å; N332-A336 PolarHBondContact O-N 2.84Å
333L64.9Low72.8Confident36 Ų3664.9 Ų64.919%0.18833%0.334CS..Hα-helixtrans-58-41.5177.2-71.2164.4000111.2I139 W339I139-L333 HydrophobicContact CD1-CD2 3.44Å; I139-L333 VanDerWaalsContact CD1-CD2 3.44Å; I139-L333 HydrophobicContact CG1-CD2 4.03Å; L333-W339 HydrophobicContact CB-CB 4.13Å; L333-W339 HydrophobicContact CB-CG 4.17Å; L333-W339 HydrophobicContact CD2-CB 4.46Å; L333-W339 HydrophobicContact CD2-CD2 3.93Å; L333-W339 HydrophobicContact CD2-CE3 4.1Å; L333-W339 HydrophobicContact CD2-CG 4.09Å; L333-W339 WeakPolarHBondContact O-CB 3.46Å
334N62.3Low72Confident127 Ų12768.9 Ų68.968%0.67935%0.352SS*.Hα-helixtrans-79.5-43.6-171.9-63.4-16.1000112.9N332N332-N334 VanDerWaalsContact C-N 3.27Å; N332-N334 PolarHBondContact O-N 2.83Å; N332-N334 PolarHBondContact OD1-N 3.06Å
335D55.6Low71.2Confident130 Ų13066.8 Ų66.870%0.69534%0.343SS*.Hα-helixtrans-80.3-33.7-176.2-74.1-13000113.2N332N332-D335 HydrophobicContact CB-CB 4.1Å; N332-D335 WeakPolarHBondContact ND2-CB 3.24Å; N332-D335 PolarHBondContact ND2-OD2 3.03Å; N332-D335 PolarHBondContact OD1-N 3.19Å
336A52.3Low70.7Confident19 Ų1971.6 Ų71.616%0.15737%0.365CS..Hα-helixtrans-88.3-35.3-154.300000112.8N332N332-A336 WeakPolarHBondContact O-CB 3.27Å; N332-A336 PolarHBondContact O-N 2.84Å
337Y61.3Low71.1Confident12 Ų1271.6 Ų71.65%0.04736%0.359CS..SBendtrans-149.216.6-163-54.4-60.8000117L214 M215 L280 K281 H282 M284L214-Y337 HydrophobicContact CD1-CG 4.26Å; M215-Y337 WeakPolarHBondContact CG-O 3.33Å; M215-Y337 PolarHBondContact N-O 2.98Å; L280-Y337 HydrophobicContact CB-CD1 4.4Å; L280-Y337 HydrophobicContact CB-CE1 4.05Å; L280-Y337 HydrophobicContact CD2-CD1 2.99Å; L280-Y337 HydrophobicContact CD2-CD2 4.28Å; L280-Y337 HydrophobicContact CD2-CE1 3.51Å; L280-Y337 HydrophobicContact CD2-CG 3.43Å; L280-Y337 VanDerWaalsContact CD2-CG 3.43Å; L280-Y337 HydrophobicContact CG-CD1 4.25Å; L280-Y337 HydrophobicContact CG-CE1 4.39Å; K281-Y337 HydrophobicContact CB-CE1 4.34Å; K281-Y337 WeakPolarHBondContact CB-OH 3.33Å; K281-Y337 HydrophobicContact CG-CE1 4.24Å; H282-Y337 PolarHBondContact CE1-OH 3.09Å; H282-Y337 VanDerWaalsContact CE1-OH 3.25Å; H282-Y337 PolarHBondContact ND1-OH 3.14Å; M284-Y337 HydrophobicContact CE-CD2 3.9Å; M284-Y337 HydrophobicContact CE-CE1 4.15Å; M284-Y337 HydrophobicContact CE-CE2 3.01Å; M284-Y337 WeakPolarHBondContact CE-OH 3.27Å; M284-Y337 HydrophobicContact CG-CD2 4.48Å; M284-Y337 HydrophobicContact CG-CE2 4.4Å; M284-Y337 HydrophobicContact SD-CD2 3.43Å; M284-Y337 WeakPolarHBondContact SD-CD2 3.44Å; M284-Y337 HydrophobicContact SD-CE2 3.04Å; M284-Y337 WeakPolarHBondContact SD-CE2 3.48Å
338L66.9Low71.4Confident115 Ų11565.7 Ų65.760%0.60233%0.327SS*.  trans61.246.4-178.4-51161.5000111.8Q340L338-Q340 PolarHBondContact O-N 3.49Å
339W80.9Confident71.8Confident21 Ų2165.5 Ų65.58%0.0833%0.325CS..EExtended strand (participates in β ladder)trans-62.5122.7169.2179.9-93.8000108.9I139 D210 Y211 K213 A219 H221 L333I139-W339 HydrophobicContact CG2-CE3 4.44Å; I139-W339 HydrophobicContact CG2-CZ3 3.92Å; D210-W339 HydrophobicContact CB-CZ2 4.26Å; Y211-W339 VanDerWaalsContact C-CZ2 3.5Å; Y211-W339 WeakPolarHBondContact O-CZ2 3.27Å; K213-W339 WeakPolarHBondContact O-CA 3.4Å; A219-W339 HydrophobicContact CB-CZ3 3.82Å; H221-W339 HydrophobicContact CB-CH2 4.15Å; H221-W339 HydrophobicContact CB-CZ2 4.39Å; L333-W339 HydrophobicContact CB-CB 4.13Å; L333-W339 HydrophobicContact CB-CG 4.17Å; L333-W339 HydrophobicContact CD2-CB 4.46Å; L333-W339 HydrophobicContact CD2-CD2 3.93Å; L333-W339 HydrophobicContact CD2-CE3 4.1Å; L333-W339 HydrophobicContact CD2-CG 4.09Å; L333-W339 WeakPolarHBondContact O-CB 3.46Å
340Q82.5Confident72Confident114 Ų11467.4 Ų67.453%0.53333%0.331SS..EExtended strand (participates in β ladder)trans-123.6128.2177.5-68.3176.8-6.100108.9G212 K213 L338G212-Q340 CarbonylContact C-O 3.57Å; G212-Q340 WeakPolarHBondContact CA-O 3.48Å; K213-Q340 PolarHBondContact N-O 2.84Å; K213-Q340 PolarHBondContact O-N 3.17Å; L338-Q340 PolarHBondContact O-N 3.49Å
341K79.2Confident71.9Confident119 Ų11970.7 Ų70.752%0.51735%0.354SS..  trans-81.7126.7160.3-63-168.2-177.3-129.10107.4D210D210-K341 IonicContact OD1-NZ 3.9Å; D210-K341 PolarHBondContact OD1-NZ 3.32Å; D210-K341 WeakPolarHBondContact OD2-CE 3.45Å; D210-K341 IonicContact OD2-NZ 2.79Å; D210-K341 PolarHBondContact OD2-NZ 2.96Å
342D76.6Confident71.6Confident36 Ų3670.5 Ų70.519%0.19335%0.354CS..  trans-118.4166.6174.268.7-16.1000110.7K213 E344 S345 E346K213-D342 WeakPolarHBondContact CD-OD2 3.4Å; K213-D342 WeakPolarHBondContact CE-OD2 3.4Å; K213-D342 IonicContact NZ-OD2 2.66Å; K213-D342 PolarHBondContact NZ-OD2 3.47Å; D342-E344 PolarHBondContact O-N 3.34Å; D342-E344 VanDerWaalsContact O-N 3.11Å; D342-S345 PolarHBondContact N-OG 3.38Å; D342-S345 PolarHBondContact O-N 2.96Å; D342-S345 PolarHBondContact O-OG 3.04Å; D342-S345 WeakPolarHBondContact OD1-CB 3.36Å; D342-S345 PolarHBondContact OD1-N 3.5Å; D342-S345 PolarHBondContact OD1-OG 3.11Å; D342-E346 PolarHBondContact O-N 3.39Å; D342-E346 VanDerWaalsContact O-N 3.08Å
343E77.8Confident71.3Confident136 Ų13671.2 Ų71.264%0.63637%0.373SS*.Hα-helixtrans-56.9-30.7-179.4-70.7-172.2-166.500113K347E343-K347 WeakPolarHBondContact O-CB 3.38Å; E343-K347 WeakPolarHBondContact O-CD 3.5Å; E343-K347 WeakPolarHBondContact O-CG 3.5Å; E343-K347 PolarHBondContact O-N 3.33Å; E343-K347 IonicContact OE2-NZ 2.92Å; E343-K347 PolarHBondContact OE2-NZ 3.01Å
344E75.6Confident70.9Confident95 Ų9572.1 Ų72.144%0.44438%0.376SS..Hα-helixtrans-63.9-50.2176.3-169.7-177.8-176.600110.4Y143 K213 D342 E346 K347 M348Y143-E344 HydrophobicContact CE2-CG 4.49Å; K213-E344 IonicContact NZ-OE2 2.89Å; K213-E344 PolarHBondContact NZ-OE2 3.04Å; D342-E344 PolarHBondContact O-N 3.34Å; D342-E344 VanDerWaalsContact O-N 3.11Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 3.09Å; E344-K347 PolarHBondContact O-N 3.02Å; E344-M348 HydrophobicContact CG-SD 4.33Å; E344-M348 WeakPolarHBondContact O-CB 3.42Å; E344-M348 VanDerWaalsContact O-CG 3.23Å; E344-M348 WeakPolarHBondContact O-CG 3.49Å; E344-M348 PolarHBondContact O-N 3.44Å
345S75.7Confident70.4Confident1 Ų170.5 Ų70.51%0.00737%0.371CS..Hα-helixtrans-60.2-40.4176.568.40000113Y211 D342 M348 M349Y211-S345 WeakPolarHBondContact O-CB 3.34Å; D342-S345 PolarHBondContact N-OG 3.38Å; D342-S345 PolarHBondContact O-N 2.96Å; D342-S345 PolarHBondContact O-OG 3.04Å; D342-S345 WeakPolarHBondContact OD1-CB 3.36Å; D342-S345 PolarHBondContact OD1-N 3.5Å; D342-S345 PolarHBondContact OD1-OG 3.11Å; S345-M348 WeakPolarHBondContact O-CB 3.34Å; S345-M348 PolarHBondContact O-N 3.31Å; S345-M349 WeakPolarHBondContact O-CG 3.37Å; S345-M349 PolarHBondContact O-N 3.06Å
346E76.7Confident69.8Low109 Ų10970.6 Ų70.651%0.50938%0.376SS..Hα-helixtrans-66.3-45.6177.2-71-174.6172.900111.7D342 E344 M348 M349 I350D342-E346 PolarHBondContact O-N 3.39Å; D342-E346 VanDerWaalsContact O-N 3.08Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 3.09Å; E346-M348 PolarHBondContact O-N 2.86Å; E346-M349 PolarHBondContact O-N 3.2Å; E346-I350 VanDerWaalsContact O-CG1 3.31Å; E346-I350 WeakPolarHBondContact O-CG1 3.35Å; E346-I350 PolarHBondContact O-N 3.45Å
347K78.6Confident69.4Low125 Ų12573.3 Ų73.354%0.54339%0.391SS..Hα-helixtrans-58.6-36.8173.8-73.2165.1-168.7159.60111.1E343 E344 S351E343-K347 WeakPolarHBondContact O-CB 3.38Å; E343-K347 WeakPolarHBondContact O-CD 3.5Å; E343-K347 WeakPolarHBondContact O-CG 3.5Å; E343-K347 PolarHBondContact O-N 3.33Å; E343-K347 IonicContact OE2-NZ 2.92Å; E343-K347 PolarHBondContact OE2-NZ 3.01Å; E344-K347 PolarHBondContact O-N 3.02Å; K347-S351 WeakPolarHBondContact O-CB 3.48Å; K347-S351 PolarHBondContact O-N 3.14Å; K347-S351 PolarHBondContact O-OG 2.92Å
348M73.7Confident68.3Low24 Ų2478.8 Ų78.812%0.11843%0.428CS..Hα-helixtrans-67.7-48.5176.1-72.5176.565.900112.4Y143 Y211 E344 S345 E346 I350 S351 M352Y143-M348 VanDerWaalsContact CB-CE 3.42Å; Y143-M348 HydrophobicContact CD1-CE 4.17Å; Y143-M348 HydrophobicContact CD1-SD 4.43Å; Y143-M348 HydrophobicContact CD2-CE 3.39Å; Y143-M348 HydrophobicContact CD2-SD 3.38Å; Y143-M348 WeakPolarHBondContact CD2-SD 3.48Å; Y143-M348 HydrophobicContact CE1-SD 4.47Å; Y143-M348 HydrophobicContact CE2-CE 4.09Å; Y143-M348 HydrophobicContact CE2-SD 3.44Å; Y143-M348 WeakPolarHBondContact CE2-SD 3.21Å; Y143-M348 HydrophobicContact CG-CE 3.42Å; Y143-M348 VanDerWaalsContact CG-CE 3.42Å; Y143-M348 HydrophobicContact CG-SD 3.91Å; Y211-M348 HydrophobicContact CD1-CE 4.39Å; Y211-M348 HydrophobicContact CD2-CB 4Å; Y211-M348 HydrophobicContact CG-CE 4.39Å; E344-M348 HydrophobicContact CG-SD 4.33Å; E344-M348 WeakPolarHBondContact O-CB 3.42Å; E344-M348 VanDerWaalsContact O-CG 3.23Å; E344-M348 WeakPolarHBondContact O-CG 3.49Å; E344-M348 PolarHBondContact O-N 3.44Å; S345-M348 WeakPolarHBondContact O-CB 3.34Å; S345-M348 PolarHBondContact O-N 3.31Å; E346-M348 PolarHBondContact O-N 2.86Å; M348-I350 VanDerWaalsContact C-N 3.27Å; M348-I350 PolarHBondContact O-N 3.02Å; M348-S351 WeakPolarHBondContact CA-OG 3.47Å; M348-S351 PolarHBondContact O-N 3.41Å; M348-S351 VanDerWaalsContact O-N 3.13Å; M348-S351 PolarHBondContact O-OG 2.91Å; M348-M352 HydrophobicContact CE-CE 4.33Å; M348-M352 WeakPolarHBondContact O-CG 3.42Å; M348-M352 PolarHBondContact O-N 3.37Å
349M75.1Confident67.3Low19 Ų1977.1 Ų77.19%0.09442%0.417CS..Hα-helixtrans-56.1-43.3176.4-70.6-60.6-71.400111.7L209 Y211 S345 E346 M352 Q354L209-M349 WeakPolarHBondContact O-CE 3.03Å; Y211-M349 HydrophobicContact CD2-CG 3.84Å; Y211-M349 HydrophobicContact CD2-SD 3.21Å; Y211-M349 WeakPolarHBondContact CD2-SD 3.33Å; Y211-M349 HydrophobicContact CE2-SD 3.61Å; Y211-M349 HydrophobicContact CG-SD 4.13Å; S345-M349 WeakPolarHBondContact O-CG 3.37Å; S345-M349 PolarHBondContact O-N 3.06Å; E346-M349 PolarHBondContact O-N 3.2Å; M349-M352 PolarHBondContact O-N 3.04Å; M349-Q354 HydrophobicContact CE-CG 4.08Å; M349-Q354 PolarHBondContact O-N 3.33Å
350I75.1Confident65.7Low105 Ų10579.6 Ų79.654%0.53843%0.434SS..Hα-helixtrans-64.4-46.9175.9-65.3166.7000111.1E346 M348 M352 G353E346-I350 VanDerWaalsContact O-CG1 3.31Å; E346-I350 WeakPolarHBondContact O-CG1 3.35Å; E346-I350 PolarHBondContact O-N 3.45Å; M348-I350 VanDerWaalsContact C-N 3.27Å; M348-I350 PolarHBondContact O-N 3.02Å; I350-M352 PolarHBondContact O-N 3.08Å; I350-G353 PolarHBondContact O-N 2.53Å
351S73.8Confident64.2Low73 Ų7376.2 Ų76.251%0.5142%0.42SS..Hα-helixtrans-67.3-19.7-179.872.50000114K162 K347 M348 G353K162-S351 PolarHBondContact NZ-O 3.37Å; K347-S351 WeakPolarHBondContact O-CB 3.48Å; K347-S351 PolarHBondContact O-N 3.14Å; K347-S351 PolarHBondContact O-OG 2.92Å; M348-S351 WeakPolarHBondContact CA-OG 3.47Å; M348-S351 PolarHBondContact O-N 3.41Å; M348-S351 VanDerWaalsContact O-N 3.13Å; M348-S351 PolarHBondContact O-OG 2.91Å; S351-G353 VanDerWaalsContact C-N 3.34Å
352M68.9Low62.7Low17 Ų1775.4 Ų75.48%0.08442%0.418CS..THydrogen-bonded Turntrans-86.4-0.8174-67.1-157.7-171.200114.5S146 K162 L163 Y211 M348 M349 I350S146-M352 VanDerWaalsContact CA-CE 3.48Å; K162-M352 HydrophobicContact CB-CB 4.29Å; K162-M352 HydrophobicContact CB-CG 4.33Å; K162-M352 HydrophobicContact CB-SD 4.35Å; K162-M352 HydrophobicContact CD-CB 4.35Å; K162-M352 HydrophobicContact CD-CG 4.29Å; L163-M352 HydrophobicContact CD2-CB 3.88Å; L163-M352 HydrophobicContact CD2-CG 4.5Å; L163-M352 HydrophobicContact CD2-SD 3.75Å; L163-M352 HydrophobicContact CG-CB 4.3Å; Y211-M352 HydrophobicContact CE1-CE 4.34Å; Y211-M352 HydrophobicContact CE2-CE 3.63Å; Y211-M352 HydrophobicContact CE2-CG 4.36Å; Y211-M352 HydrophobicContact CE2-SD 3.36Å; Y211-M352 WeakPolarHBondContact CE2-SD 3.39Å; Y211-M352 VanDerWaalsContact CZ-CE 3.45Å; Y211-M352 WeakPolarHBondContact OH-CE 3.37Å; Y211-M352 PolarHBondContact OH-SD 3.22Å; M348-M352 HydrophobicContact CE-CE 4.33Å; M348-M352 WeakPolarHBondContact O-CG 3.42Å; M348-M352 PolarHBondContact O-N 3.37Å; M349-M352 PolarHBondContact O-N 3.04Å; I350-M352 PolarHBondContact O-N 3.08Å
353G63.4Low61.3Low63 Ų6378 Ų7865%0.64943%0.429SS*.THydrogen-bonded Turntrans92.714.2171.500000115.3I350 S351I350-G353 PolarHBondContact O-N 2.53Å; S351-G353 VanDerWaalsContact C-N 3.34Å
354Q58.1Low60Low55 Ų5572.5 Ų72.526%0.25740%0.402SS..  trans-76.7134.4167.6-74.4-156.6-2.100111.1L163 M349 Y364L163-Q354 HydrophobicContact CD1-CG 3.7Å; M349-Q354 HydrophobicContact CE-CG 4.08Å; M349-Q354 PolarHBondContact O-N 3.33Å; Q354-Y364 VanDerWaalsContact NE2-CE2 3.26Å; Q354-Y364 VanDerWaalsContact NE2-CZ 3.3Å; Q354-Y364 PolarHBondContact NE2-OH 3.5Å
355T50.5Low58.7Low93 Ų9369 Ų6957%0.57139%0.386SS*.  trans-78.6145162.449.80000109.2T357T355-T357 PolarHBondContact O-N 3.25Å; T355-T357 PolarHBondContact OG1-OG1 3Å
356T42.5Very low57.4Low132 Ų13274.7 Ų74.781%0.8141%0.414SS*.SBendtrans-66.313.7-179.6520000114.5
357T44.9Very low55.9Low76 Ų7674.3 Ų74.347%0.46642%0.416SS..SBendtrans-81.2121.217645.60000109.5T355 H359T355-T357 PolarHBondContact O-N 3.25Å; T355-T357 PolarHBondContact OG1-OG1 3Å; T357-H359 VanDerWaalsContact C-N 3.34Å; T357-H359 PolarHBondContact O-N 2.98Å; T357-H359 PolarHBondContact OG1-NE2 2.7Å
358P37.9Very low54.4Low127 Ų12770.8 Ų70.883%0.82540%0.403SS*.  trans-69.991.9177.628.4-32.5000109.2
359H46.7Very low52.7Low79 Ų7971.9 Ų71.937%0.36642%0.416SS..  trans-65.2136.4162.3-69-61.5000108.1T357 E363T357-H359 VanDerWaalsContact C-N 3.34Å; T357-H359 PolarHBondContact O-N 2.98Å; T357-H359 PolarHBondContact OG1-NE2 2.7Å; H359-E363 WeakPolarHBondContact CA-OE2 3.39Å; H359-E363 HydrophobicContact CB-CB 4Å; H359-E363 IonicContact CG-OE2 2.6Å; H359-E363 IonicContact ND1-OE2 2.81Å; H359-E363 PolarHBondContact ND1-OE2 2.85Å
360T46.8Very low50.8Low74 Ų7481.9 Ų81.945%0.45445%0.454SS..  trans-58.1150.516760.50000108.8E362 E363 Y364T360-E362 PolarHBondContact O-N 3.09Å; T360-E363 PolarHBondContact N-OE2 2.72Å; T360-E363 CarbonylContact O-C 3.57Å; T360-E363 WeakPolarHBondContact O-CA 3.25Å; T360-E363 WeakPolarHBondContact O-CB 3.34Å; T360-E363 PolarHBondContact O-N 3.1Å; T360-E363 WeakPolarHBondContact OG1-CB 3.24Å; T360-E363 VanDerWaalsContact OG1-CG 3.29Å; T360-E363 WeakPolarHBondContact OG1-CG 3.48Å; T360-E363 PolarHBondContact OG1-N 3.37Å; T360-Y364 PolarHBondContact O-N 3.1Å
361L50.5Low49.6Very low43 Ų4380.8 Ų80.823%0.22545%0.45CS..Hα-helixtrans-54.1-31.1175.7-179.365.3000111.3L137 L209 Y288 I365L137-L361 HydrophobicContact CD2-CD2 4.13Å; L209-L361 HydrophobicContact CD1-CD1 3.82Å; L209-L361 HydrophobicContact CD2-CD1 3.52Å; L209-L361 HydrophobicContact CG-CD1 4.33Å; Y288-L361 HydrophobicContact CD1-CD2 4.1Å; Y288-L361 HydrophobicContact CE1-CD2 3.35Å; L361-I365 HydrophobicContact CD1-CD1 4.33Å; L361-I365 HydrophobicContact CD1-CG1 4.46Å; L361-I365 HydrophobicContact CG-CD1 3.96Å; L361-I365 WeakPolarHBondContact O-CB 3.49Å; L361-I365 WeakPolarHBondContact O-CD1 3.42Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 3.11Å
362E47.1Very low48.4Very low101 Ų10181.2 Ų81.247%0.47245%0.447SS..Hα-helixtrans-68.5-46.6172.6-65.6-169.9152.400112.6T360 Y364 I365 M366T360-E362 PolarHBondContact O-N 3.09Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 2.78Å; E362-I365 PolarHBondContact O-N 2.9Å; E362-M366 VanDerWaalsContact O-CB 3.31Å; E362-M366 WeakPolarHBondContact O-CB 3.22Å; E362-M366 WeakPolarHBondContact O-CG 3.48Å; E362-M366 PolarHBondContact O-N 3.12Å
363E47.5Very low47.2Very low90 Ų9084.7 Ų84.742%0.42147%0.467SS..Hα-helixtrans-60.5-39.7171.8-79.9170.7-164.600112H359 T360 M366 N367H359-E363 WeakPolarHBondContact CA-OE2 3.39Å; H359-E363 HydrophobicContact CB-CB 4Å; H359-E363 IonicContact CG-OE2 2.6Å; H359-E363 IonicContact ND1-OE2 2.81Å; H359-E363 PolarHBondContact ND1-OE2 2.85Å; T360-E363 PolarHBondContact N-OE2 2.72Å; T360-E363 CarbonylContact O-C 3.57Å; T360-E363 WeakPolarHBondContact O-CA 3.25Å; T360-E363 WeakPolarHBondContact O-CB 3.34Å; T360-E363 PolarHBondContact O-N 3.1Å; T360-E363 WeakPolarHBondContact OG1-CB 3.24Å; T360-E363 VanDerWaalsContact OG1-CG 3.29Å; T360-E363 WeakPolarHBondContact OG1-CG 3.48Å; T360-E363 PolarHBondContact OG1-N 3.37Å; E363-M366 PolarHBondContact O-N 3.16Å; E363-N367 WeakPolarHBondContact O-CB 3.34Å; E363-N367 PolarHBondContact O-N 3.07Å; E363-N367 PolarHBondContact O-ND2 3.31Å
364Y50Low46.3Very low22 Ų2286 Ų869%0.08646%0.456CS..Hα-helixtrans-69-39.7178.8-168.6-103000111.9L163 I207 V208 L209 Q354 T360 E362 N368L163-Y364 WeakPolarHBondContact CD1-OH 3.41Å; I207-Y364 HydrophobicContact CG2-CD1 4.21Å; I207-Y364 HydrophobicContact CG2-CE1 3.42Å; I207-Y364 VanDerWaalsContact CG2-CE1 3.42Å; V208-Y364 WeakPolarHBondContact O-CE1 3.42Å; V208-Y364 PolarHBondContact O-OH 3.03Å; L209-Y364 HydrophobicContact CD2-CD1 3.68Å; L209-Y364 HydrophobicContact CD2-CE1 3.69Å; Q354-Y364 VanDerWaalsContact NE2-CE2 3.26Å; Q354-Y364 VanDerWaalsContact NE2-CZ 3.3Å; Q354-Y364 PolarHBondContact NE2-OH 3.5Å; T360-Y364 PolarHBondContact O-N 3.1Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 2.78Å; Y364-N368 WeakPolarHBondContact CD2-ND2 3.39Å; Y364-N368 WeakPolarHBondContact CE2-ND2 3.27Å; Y364-N368 WeakPolarHBondContact O-CB 2.7Å; Y364-N368 PolarHBondContact O-N 2.86Å; Y364-N368 PolarHBondContact O-ND2 3.42Å
365I49Very low45.5Very low21 Ų2187.9 Ų87.911%0.10847%0.469CS..Hα-helixtrans-62.9-46.5169.8-71.4165.5000109.6Y135 L223 L361 E362 N368 A369Y135-I365 HydrophobicContact CD1-CD1 4.24Å; Y135-I365 HydrophobicContact CE1-CD1 4.47Å; Y135-I365 HydrophobicContact CE1-CG2 4.09Å; L223-I365 HydrophobicContact CD2-CD1 3.55Å; L223-I365 HydrophobicContact CD2-CG1 3.38Å; L361-I365 HydrophobicContact CD1-CD1 4.33Å; L361-I365 HydrophobicContact CD1-CG1 4.46Å; L361-I365 HydrophobicContact CG-CD1 3.96Å; L361-I365 WeakPolarHBondContact O-CB 3.49Å; L361-I365 WeakPolarHBondContact O-CD1 3.42Å; L361-I365 WeakPolarHBondContact O-CG1 3.39Å; L361-I365 PolarHBondContact O-N 3.11Å; E362-I365 PolarHBondContact O-N 2.9Å; I365-N368 PolarHBondContact O-N 2.97Å; I365-A369 HydrophobicContact CG2-CB 4.29Å; I365-A369 WeakPolarHBondContact O-CA 3.28Å; I365-A369 WeakPolarHBondContact O-CB 3.45Å; I365-A369 PolarHBondContact O-N 2.87Å
366M47.8Very low45.2Very low121 Ų12187.6 Ų87.660%0.59646%0.462SS*.Hα-helixtrans-69.3-35.9-176.6-69.5-72.4-112.900112.7E362 E363E362-M366 VanDerWaalsContact O-CB 3.31Å; E362-M366 WeakPolarHBondContact O-CB 3.22Å; E362-M366 WeakPolarHBondContact O-CG 3.48Å; E362-M366 PolarHBondContact O-N 3.12Å; E363-M366 PolarHBondContact O-N 3.16Å
367N46.2Very low45.4Very low100 Ų10084.4 Ų84.454%0.53544%0.437SS..Hα-helixtrans-76.5-21.3179.8-70.9-13.1000113.3E363E363-N367 WeakPolarHBondContact O-CB 3.34Å; E363-N367 PolarHBondContact O-N 3.07Å; E363-N367 PolarHBondContact O-ND2 3.31Å
368N46Very low45.4Very low51 Ų5185.1 Ų85.127%0.27344%0.435SS..Hα-helixtrans-118.91-177.7-61.4-74.7000114.3V164 Y364 I365V164-N368 HydrophobicContact CG2-CB 4.48Å; Y364-N368 WeakPolarHBondContact CD2-ND2 3.39Å; Y364-N368 WeakPolarHBondContact CE2-ND2 3.27Å; Y364-N368 WeakPolarHBondContact O-CB 2.7Å; Y364-N368 PolarHBondContact O-N 2.86Å; Y364-N368 PolarHBondContact O-ND2 3.42Å; I365-N368 PolarHBondContact O-N 2.97Å
369A38.9Very low46.1Very low47 Ų4781.6 Ų81.639%0.38840%0.402SS..  trans-97.317.4-179.100000114.6I365I365-A369 HydrophobicContact CG2-CB 4.29Å; I365-A369 WeakPolarHBondContact O-CA 3.28Å; I365-A369 WeakPolarHBondContact O-CB 3.45Å; I365-A369 PolarHBondContact O-N 2.87Å
370Y36.2Very low46Very low230 Ų23081.8 Ų81.890%0.90241%0.405SS*.  trans-141.50174.2-60.4-77.4000109.2

Retrieved 370 of 370 residues in 175.5 ms (Link to these results)

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