A0A2K6AL75_MANLE Loading...

Chromosome 15 open reading frame 61

AlphaFold DB , UniProt , Accession A0A2K6AL75, Species MANLE (Mandrillus leucophaeus, Drill), Gene C15orf61, Length 157 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.6Confident82.2Confident147 Ų14782.8 Ų82.872%0.72446%0.458SS*.  0-44.40-69.5-53.2-7600112.5A3 L4 R5 F63M1-A3 PolarHBondContact O-N 3.03Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-R5 PolarHBondContact O-N 2.91Å; M1-F63 HydrophobicContact CE-CE1 4.34Å
2E79.9Confident82.3Confident97 Ų9777.5 Ų77.545%0.45343%0.428SS..Hα-helixtrans-58.8-48.3-178.5-166.555.4-143.200114L4 R5 M6E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.44Å; E2-R5 WeakPolarHBondContact O-CB 3.4Å; E2-R5 PolarHBondContact O-N 3.19Å; E2-R5 VanDerWaalsContact O-N 3.09Å; E2-R5 IonicContact OE1-CZ 2.66Å; E2-R5 IonicContact OE1-NE 3.87Å; E2-R5 PolarHBondContact OE1-NE 3.49Å; E2-R5 VanDerWaalsContact OE1-NE 3.12Å; E2-R5 IonicContact OE1-NH2 3.17Å; E2-R5 PolarHBondContact OE1-NH2 2.9Å; E2-R5 IonicContact OE2-CZ 3.78Å; E2-R5 IonicContact OE2-NE 2.61Å; E2-R5 PolarHBondContact OE2-NE 2.8Å; E2-R5 IonicContact OE2-NH1 3.1Å; E2-R5 IonicContact OE2-NH2 3.2Å; E2-R5 PolarHBondContact OE2-NH2 2.85Å; E2-R5 VanDerWaalsContact OE2-NH2 3.1Å; E2-M6 WeakPolarHBondContact O-CG 3.37Å; E2-M6 PolarHBondContact O-N 2.91Å
3A82.4Confident82.2Confident78 Ų7884.5 Ų84.565%0.64544%0.444SS*.Hα-helixtrans-58.7-37.3176.300000112.9M1 M6 A7M1-A3 PolarHBondContact O-N 3.03Å; A3-M6 PolarHBondContact O-N 2.7Å; A3-A7 WeakPolarHBondContact O-CB 3.13Å; A3-A7 PolarHBondContact O-N 2.98Å
4L82.8Confident82.3Confident100 Ų10087.9 Ų87.952%0.52446%0.462SS..Hα-helixtrans-70.6-38176.7-173.367.9000111.6M1 E2 A7 H8 F63M1-L4 PolarHBondContact O-N 3.22Å; E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.44Å; L4-A7 PolarHBondContact O-N 2.79Å; L4-H8 WeakPolarHBondContact O-CB 3.31Å; L4-H8 PolarHBondContact O-N 3.46Å; L4-F63 HydrophobicContact CB-CE1 4.41Å; L4-F63 HydrophobicContact CD2-CE1 4.17Å; L4-F63 HydrophobicContact CD2-CZ 4.18Å; L4-F63 HydrophobicContact CG-CE1 4.13Å; L4-F63 HydrophobicContact CG-CZ 4.01Å
5R84.2Confident82.3Confident86 Ų8690.2 Ų90.233%0.32547%0.474SS..Hα-helixtrans-61.2-47.4172.7-177.4177.675171.98.2110.6M1 E2 H8 E9 F63M1-R5 PolarHBondContact O-N 2.91Å; E2-R5 WeakPolarHBondContact O-CB 3.4Å; E2-R5 PolarHBondContact O-N 3.19Å; E2-R5 VanDerWaalsContact O-N 3.09Å; E2-R5 IonicContact OE1-CZ 2.66Å; E2-R5 IonicContact OE1-NE 3.87Å; E2-R5 PolarHBondContact OE1-NE 3.49Å; E2-R5 VanDerWaalsContact OE1-NE 3.12Å; E2-R5 IonicContact OE1-NH2 3.17Å; E2-R5 PolarHBondContact OE1-NH2 2.9Å; E2-R5 IonicContact OE2-CZ 3.78Å; E2-R5 IonicContact OE2-NE 2.61Å; E2-R5 PolarHBondContact OE2-NE 2.8Å; E2-R5 IonicContact OE2-NH1 3.1Å; E2-R5 IonicContact OE2-NH2 3.2Å; E2-R5 PolarHBondContact OE2-NH2 2.85Å; E2-R5 VanDerWaalsContact OE2-NH2 3.1Å; R5-H8 WeakPolarHBondContact O-CB 3.49Å; R5-H8 PolarHBondContact O-N 3.42Å; R5-E9 WeakPolarHBondContact O-CG 3.39Å; R5-E9 PolarHBondContact O-N 3.4Å; R5-F63 HydrophobicContact CB-CD1 3.77Å; R5-F63 HydrophobicContact CB-CE1 4.1Å; R5-F63 HydrophobicContact CB-CG 4.29Å; R5-F63 HydrophobicContact CG-CB 4.22Å; R5-F63 HydrophobicContact CG-CD1 4.14Å; R5-F63 HydrophobicContact CG-CG 4.17Å
6M83Confident82.2Confident111 Ų11188.3 Ų88.355%0.54746%0.464SS..Hα-helixtrans-61.6-47.9177-70.317964.900111.8E2 A3 H8 E9 V10E2-M6 WeakPolarHBondContact O-CG 3.37Å; E2-M6 PolarHBondContact O-N 2.91Å; A3-M6 PolarHBondContact O-N 2.7Å; M6-H8 VanDerWaalsContact C-N 3.29Å; M6-H8 PolarHBondContact O-N 2.93Å; M6-E9 PolarHBondContact O-N 2.64Å; M6-V10 WeakPolarHBondContact O-CG2 3.45Å; M6-V10 PolarHBondContact O-N 3.15Å
7A84Confident81.2Confident56 Ų5688.6 Ų88.646%0.46347%0.474SS..Hα-helixtrans-58.9-42176.500000111.6A3 L4 V10 A11A3-A7 WeakPolarHBondContact O-CB 3.13Å; A3-A7 PolarHBondContact O-N 2.98Å; L4-A7 PolarHBondContact O-N 2.79Å; A7-V10 PolarHBondContact O-N 2.94Å; A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 2.99Å
8H84.2Confident79.7Confident48 Ų4894.8 Ų94.822%0.22249%0.489CS..Hα-helixtrans-63-45.1174.7177.172.6000112.2L4 R5 M6 V10 A11 L12 Y55 F63L4-H8 WeakPolarHBondContact O-CB 3.31Å; L4-H8 PolarHBondContact O-N 3.46Å; R5-H8 WeakPolarHBondContact O-CB 3.49Å; R5-H8 PolarHBondContact O-N 3.42Å; M6-H8 VanDerWaalsContact C-N 3.29Å; M6-H8 PolarHBondContact O-N 2.93Å; H8-V10 VanDerWaalsContact C-N 3.35Å; H8-V10 PolarHBondContact O-N 3.35Å; H8-A11 PolarHBondContact O-N 2.84Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.45Å; H8-L12 WeakPolarHBondContact O-CB 3.5Å; H8-L12 VanDerWaalsContact O-CG 3.31Å; H8-L12 WeakPolarHBondContact O-CG 3.19Å; H8-L12 PolarHBondContact O-N 2.93Å; H8-Y55 AromaticContact NE2-CE1 3.7Å; H8-Y55 AromaticContact NE2-CZ 3.87Å; H8-F63 HydrophobicContact CB-CE2 3.78Å; H8-F63 HydrophobicContact CB-CZ 4.07Å; H8-F63 AromaticContact CD2-CD2 3.6Å; H8-F63 AromaticContact CD2-CE2 3.42Å; H8-F63 VanDerWaalsContact CD2-CE2 3.42Å; H8-F63 WeakPolarHBondContact CD2-CE2 3.38Å; H8-F63 AromaticContact CG-CE2 3.5Å; H8-F63 AromaticContact NE2-CE2 3.93Å
9E83.9Confident77.7Confident66 Ų6697.2 Ų97.231%0.30851%0.512SS..Hα-helixtrans-62.2-40.7176-75.7-173.3-171.300112.4R5 M6 L12 R13R5-E9 WeakPolarHBondContact O-CG 3.39Å; R5-E9 PolarHBondContact O-N 3.4Å; M6-E9 PolarHBondContact O-N 2.64Å; E9-L12 PolarHBondContact O-N 3.18Å; E9-R13 VanDerWaalsContact O-CG 3.31Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 3.16Å
10V83.9Confident75.8Confident81 Ų81103.3 Ų103.349%0.49153%0.528SS..Hα-helixtrans-63.8-47.3175.3171.80000110.5M6 A7 H8 L12 R13 L14M6-V10 WeakPolarHBondContact O-CG2 3.45Å; M6-V10 PolarHBondContact O-N 3.15Å; A7-V10 PolarHBondContact O-N 2.94Å; H8-V10 VanDerWaalsContact C-N 3.35Å; H8-V10 PolarHBondContact O-N 3.35Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.26Å; V10-R13 PolarHBondContact O-N 3.08Å; V10-L14 HydrophobicContact CG1-CD1 4.08Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.83Å
11A84.9Confident74.3Confident41 Ų41102.3 Ų102.334%0.33954%0.535SS..Hα-helixtrans-59.5-44.4176.600000111.8A7 H8 R13 L14 L15A7-A11 WeakPolarHBondContact O-CB 3.3Å; A7-A11 PolarHBondContact O-N 2.99Å; H8-A11 PolarHBondContact O-N 2.84Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.3Å; A11-L14 PolarHBondContact O-N 3.24Å; A11-L15 WeakPolarHBondContact O-CB 3.17Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.24Å; A11-L15 PolarHBondContact O-N 3.08Å
12L83.9Confident72.9Confident19 Ų1999.7 Ų99.710%0.09953%0.531CS..Hα-helixtrans-60.1-42.6174.9-74.5178.8000112H8 E9 V10 L15 L16 Y55 F85H8-L12 WeakPolarHBondContact NE2-CD1 3.45Å; H8-L12 WeakPolarHBondContact O-CB 3.5Å; H8-L12 VanDerWaalsContact O-CG 3.31Å; H8-L12 WeakPolarHBondContact O-CG 3.19Å; H8-L12 PolarHBondContact O-N 2.93Å; E9-L12 PolarHBondContact O-N 3.18Å; V10-L12 VanDerWaalsContact C-N 3.35Å; V10-L12 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-L16 HydrophobicContact CB-CD1 4.36Å; L12-L16 HydrophobicContact CD2-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.07Å; L12-Y55 HydrophobicContact CD1-CD1 3.51Å; L12-Y55 HydrophobicContact CD1-CD2 4.41Å; L12-Y55 HydrophobicContact CD1-CE1 3.96Å; L12-Y55 HydrophobicContact CD1-CG 3.78Å; L12-Y55 HydrophobicContact CD2-CD1 4.35Å; L12-Y55 HydrophobicContact CD2-CD2 3.73Å; L12-Y55 HydrophobicContact CD2-CE2 4.22Å; L12-Y55 HydrophobicContact CD2-CG 3.82Å; L12-Y55 HydrophobicContact CG-CG 4.47Å; L12-F85 HydrophobicContact CD2-CD2 3.6Å; L12-F85 HydrophobicContact CD2-CE2 3.79Å
13R81.5Confident71.2Confident169 Ų169107.3 Ų107.364%0.63856%0.556SS**Hα-helixtrans-61.2-48.9176-73.2174.7-170.6-168.35.7110.6E9 V10 A11 L15 C17E9-R13 VanDerWaalsContact O-CG 3.31Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 3.16Å; V10-R13 PolarHBondContact O-N 3.08Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.3Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-L15 PolarHBondContact O-N 2.84Å; R13-C17 WeakPolarHBondContact O-CB 3.25Å; R13-C17 PolarHBondContact O-N 2.81Å; R13-C17 PolarHBondContact O-SG 3.49Å
14L83Confident69.4Low132 Ų132107.7 Ų107.769%0.69156%0.559SS**Hα-helixtrans-60.6-42.7179.5-68.5172000112.4V10 A11V10-L14 HydrophobicContact CG1-CD1 4.08Å; V10-L14 HydrophobicContact CG1-CG 4.49Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.83Å; A11-L14 PolarHBondContact O-N 3.24Å
15L82.9Confident67.7Low122 Ų122107 Ų10764%0.63957%0.567SS**Hα-helixtrans-79.1-29.7-176.7-66.7171.9000114A11 L12 R13 F85A11-L15 WeakPolarHBondContact O-CB 3.17Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.24Å; A11-L15 PolarHBondContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.28Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-L15 PolarHBondContact O-N 2.84Å; L15-F85 HydrophobicContact CB-CE2 4.05Å; L15-F85 HydrophobicContact CB-CZ 3.78Å; L15-F85 HydrophobicContact CD1-CE2 4.31Å; L15-F85 HydrophobicContact CD1-CZ 4.33Å
16L80.2Confident66.7Low59 Ų59107.6 Ų107.631%0.30959%0.591SS.*Hα-helixtrans-96-11.2-179.4-61.3172.9000113.2L12 R18 F85 P86L12-L16 HydrophobicContact CB-CD1 4.36Å; L12-L16 HydrophobicContact CD2-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 VanDerWaalsContact O-CG 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.28Å; L12-L16 PolarHBondContact O-N 3.07Å; L16-R18 PolarHBondContact O-N 2.82Å; L16-F85 HydrophobicContact CD1-CE2 4.44Å; L16-F85 HydrophobicContact CD2-CE2 3.69Å; L16-F85 HydrophobicContact CD2-CZ 3.7Å; L16-F85 HydrophobicContact CG-CE2 3.92Å; L16-F85 HydrophobicContact CG-CZ 4.26Å; L16-P86 HydrophobicContact CD2-CB 4.18Å
17C64.6Low66Low94 Ų94112.6 Ų112.664%0.63560%0.604SS**  trans-65.394.1171.9-85.50000110R13R13-C17 WeakPolarHBondContact O-CB 3.25Å; R13-C17 PolarHBondContact O-N 2.81Å; R13-C17 PolarHBondContact O-SG 3.49Å
18R54.8Low65.9Low200 Ų200114.2 Ų114.276%0.75561%0.61SS**  trans-60.8136.5155.6-106.7-175.1170.9-170.5-2.2108.1L16 W20 A21L16-R18 PolarHBondContact O-N 2.82Å; R18-W20 PolarHBondContact O-N 3.37Å; R18-A21 PolarHBondContact O-N 3Å
19P42.2Very low66.2Low141 Ų141116.2 Ų116.292%0.91662%0.618SS**THydrogen-bonded Turntrans-62.7-5.3170.3-17.729.8000113.7
20W39Very low66.8Low219 Ų219113.3 Ų113.383%0.8360%0.604SS**THydrogen-bonded Turntrans-12950.9-177.3-160.1-79.8000110.8R18R18-W20 PolarHBondContact O-N 3.37Å
21A45Very low67.4Low82 Ų82111 Ų11168%0.67859%0.592SS**  trans-106.593.8158.300000105.9R18R18-A21 PolarHBondContact O-N 3Å
22S41.6Very low68Low93 Ų93109 Ų10965%0.6558%0.576SS**  trans-41.1144.4173.1-40.80000110.3A24S22-A24 PolarHBondContact O-N 3.34Å
23R42.8Very low68.6Low256 Ų256108.9 Ų108.997%0.96658%0.576SS**  trans-44.731.8170.7-123.4175.1-173.5178.81.2116.7A25R23-A25 PolarHBondContact O-N 3.35Å
24A45.9Very low69.4Low86 Ų86102.2 Ų102.271%0.71155%0.552SS**  trans-61.7105.8163.100000106.1S22 A26S22-A24 PolarHBondContact O-N 3.34Å; A24-A26 PolarHBondContact O-N 3Å
25A47.3Very low70Confident85 Ų8595.9 Ų95.970%0.70252%0.519SS*.  trans-33.8123.9175.200000109.5R23 R27R23-A25 PolarHBondContact O-N 3.35Å; A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 3.31Å
26A61.4Low70.8Confident100 Ų10090.1 Ų90.183%0.82649%0.489SS*.  trans-54.591.3-17500000109.3A24A24-A26 PolarHBondContact O-N 3Å
27R68.9Low71.6Confident215 Ų21589.1 Ų89.181%0.81149%0.485SS*.PPolyproline II helixtrans-57.9135.3179.7-79.8-175.5177.8177.1-0.4106.7A25 K29A25-R27 VanDerWaalsContact C-N 3.26Å; A25-R27 PolarHBondContact O-N 3.31Å; R27-K29 PolarHBondContact O-N 2.82Å
28P82.9Confident73.2Confident90 Ų9089.8 Ų89.858%0.58448%0.475SS*.PPolyproline II helixtrans-56.7130.5176.622.2-29.7000108.4Y140P28-Y140 HydrophobicContact CB-CD1 3.78Å; P28-Y140 HydrophobicContact CB-CE1 3.54Å; P28-Y140 HydrophobicContact CG-CD1 3.78Å; P28-Y140 HydrophobicContact CG-CE1 3.77Å; P28-Y140 WeakPolarHBondContact O-CD1 3.27Å
29K90.1Very high75.2Confident91 Ų9180.2 Ų80.240%0.39644%0.439SS..PPolyproline II helixtrans-95.2143.1-176.3-60-179.9-171.8-175.80109.5R27 S56 R59R27-K29 PolarHBondContact O-N 2.82Å; K29-S56 VanDerWaalsContact CE-O 3.27Å; K29-S56 WeakPolarHBondContact CE-O 3.46Å; K29-S56 PolarHBondContact NZ-O 2.93Å; K29-R59 HydrophobicContact CB-CG 4.26Å
30P95.6Very high77.8Confident4 Ų473.5 Ų73.53%0.02640%0.395CS..PPolyproline II helixtrans-62.3155.9173.626.8-31.8000110.8E34 V35 V58 R59 T138 Y140 I143P30-E34 WeakPolarHBondContact CB-OE2 3.46Å; P30-V35 HydrophobicContact CB-CG2 4.25Å; P30-V35 HydrophobicContact CG-CG2 4.08Å; P30-V58 HydrophobicContact CG-CG1 4.37Å; P30-V58 WeakPolarHBondContact O-CA 3.46Å; P30-R59 PolarHBondContact O-N 3.44Å; P30-T138 HydrophobicContact CB-CG2 4.01Å; P30-T138 HydrophobicContact CG-CG2 3.99Å; P30-Y140 HydrophobicContact CB-CD2 3.79Å; P30-Y140 HydrophobicContact CB-CG 4.46Å; P30-I143 HydrophobicContact CG-CG2 4.09Å
31S96.8Very high80.5Confident32 Ų3265.2 Ų65.222%0.22437%0.366CS..BIsolated β-bridgetrans-70.5152168.558.40000110.4S33 E34 V35S31-S33 WeakPolarHBondContact CB-OG 3.12Å; S31-S33 PolarHBondContact O-N 2.83Å; S31-S33 PolarHBondContact OG-OG 3.44Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 VanDerWaalsContact O-N 3.13Å; S31-E34 WeakPolarHBondContact OG-CB 3.3Å; S31-E34 PolarHBondContact OG-N 3.24Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; S31-V35 PolarHBondContact O-N 3.08Å
32A96.7Very high82.9Confident0 Ų064.5 Ų64.50%035%0.349CS..Hα-helixtrans-64.2-31.3176.300000111.1V35 L36 V58 R59 D61 I88 Y90A32-V35 PolarHBondContact O-N 3.42Å; A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 2.83Å; A32-V58 HydrophobicContact CB-CB 4.43Å; A32-V58 HydrophobicContact CB-CG2 4.09Å; A32-R59 PolarHBondContact N-O 3.24Å; A32-D61 PolarHBondContact N-OD1 2.74Å; A32-I88 HydrophobicContact CB-CD1 4.12Å; A32-Y90 WeakPolarHBondContact CB-OH 3.26Å
33S97.3Very high85.4Confident17 Ų1761.9 Ų61.912%0.11933%0.325CS..Hα-helixtrans-61.9-40.2169.8560000114.5S31 L36 T37 D61S31-S33 WeakPolarHBondContact CB-OG 3.12Å; S31-S33 PolarHBondContact O-N 2.83Å; S31-S33 PolarHBondContact OG-OG 3.44Å; S33-L36 PolarHBondContact O-N 3.44Å; S33-T37 WeakPolarHBondContact O-CB 3.33Å; S33-T37 PolarHBondContact O-N 2.86Å; S33-T37 PolarHBondContact O-OG1 2.85Å; S33-D61 WeakPolarHBondContact CB-OD2 3.42Å; S33-D61 PolarHBondContact N-OD1 3.34Å; S33-D61 VanDerWaalsContact N-OD1 3.14Å; S33-D61 PolarHBondContact OG-OD2 3.28Å
34E97.7Very high87.8Confident28 Ų2860.6 Ų60.613%0.13132%0.32CS..Hα-helixtrans-64-47.4176.7-179.1-175.3174.600109.5P30 S31 L36 T37 R38 T138 S139P30-E34 WeakPolarHBondContact CB-OE2 3.46Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 VanDerWaalsContact O-N 3.13Å; S31-E34 WeakPolarHBondContact OG-CB 3.3Å; S31-E34 PolarHBondContact OG-N 3.24Å; S31-E34 VanDerWaalsContact OG-N 3.16Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.07Å; E34-T37 PolarHBondContact O-N 2.96Å; E34-T37 VanDerWaalsContact O-N 3.12Å; E34-R38 HydrophobicContact CG-CG 4Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 VanDerWaalsContact O-CG 3.25Å; E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 3.4Å; E34-R38 IonicContact OE1-NE 3.9Å; E34-T138 WeakPolarHBondContact OE1-CA 3.01Å; E34-T138 WeakPolarHBondContact OE1-CB 3.49Å; E34-S139 PolarHBondContact OE1-N 3.17Å; E34-S139 PolarHBondContact OE1-OG 3Å; E34-S139 VanDerWaalsContact OE1-OG 3.08Å; E34-S139 PolarHBondContact OE2-OG 3.44Å
35V97.5Very high90.2Very high0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-56.7-48.7177171.20000111.5P30 S31 A32 T37 R38 H39 F51 V53 V58 V136 T138 I143 V145P30-V35 HydrophobicContact CB-CG2 4.25Å; P30-V35 HydrophobicContact CG-CG2 4.08Å; S31-V35 PolarHBondContact O-N 3.08Å; A32-V35 PolarHBondContact O-N 3.42Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 2.92Å; V35-R38 PolarHBondContact O-N 3.02Å; V35-H39 WeakPolarHBondContact O-CB 3.18Å; V35-H39 PolarHBondContact O-N 2.8Å; V35-F51 HydrophobicContact CG1-CE2 4.46Å; V35-V53 HydrophobicContact CG1-CG1 4.16Å; V35-V53 HydrophobicContact CG1-CG2 3.77Å; V35-V58 HydrophobicContact CG2-CG1 3.68Å; V35-V136 HydrophobicContact CG1-CG1 4.43Å; V35-T138 HydrophobicContact CG2-CG2 4.03Å; V35-I143 HydrophobicContact CB-CD1 3.97Å; V35-I143 HydrophobicContact CG1-CD1 3.54Å; V35-I143 HydrophobicContact CG2-CD1 3.19Å; V35-I143 HydrophobicContact CG2-CG1 4.25Å; V35-V145 HydrophobicContact CG1-CG1 4.06Å
36L97.9Very high92.4Very high0 Ų054.8 Ų54.80%027%0.266CS..Hα-helixtrans-55.3-46.5175.7171.162000111.4A32 S33 E34 L40 F51 F68 W70 V79 Y90 C92A32-L36 WeakPolarHBondContact O-CB 3.45Å; A32-L36 PolarHBondContact O-N 2.83Å; S33-L36 PolarHBondContact O-N 3.44Å; E34-L36 VanDerWaalsContact C-N 3.34Å; E34-L36 PolarHBondContact O-N 3.07Å; L36-L40 HydrophobicContact CD1-CD1 3.97Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 4.33Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.18Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-L40 VanDerWaalsContact O-N 3.12Å; L36-F51 HydrophobicContact CD1-CE1 4.2Å; L36-F51 HydrophobicContact CD1-CZ 3.85Å; L36-F68 HydrophobicContact CD2-CE2 4.45Å; L36-W70 HydrophobicContact CD2-CB 4.47Å; L36-W70 HydrophobicContact CD2-CD2 3.64Å; L36-W70 HydrophobicContact CD2-CE3 4.26Å; L36-W70 HydrophobicContact CD2-CG 3.72Å; L36-W70 HydrophobicContact CD2-CZ2 4.37Å; L36-W70 HydrophobicContact CG-CD2 4.45Å; L36-W70 HydrophobicContact CG-CG 4.33Å; L36-V79 HydrophobicContact CD2-CG1 4.36Å; L36-V79 HydrophobicContact CD2-CG2 4.27Å; L36-Y90 HydrophobicContact CD1-CD1 4.17Å; L36-Y90 HydrophobicContact CD1-CG 4.49Å; L36-Y90 HydrophobicContact CD2-CD1 4.33Å; L36-Y90 HydrophobicContact CD2-CE1 4.18Å; L36-C92 VanDerWaalsContact CD1-SG 3.51Å
37T98Very high93.9Very high38 Ų3854 Ų5423%0.23325%0.245CC..Hα-helixtrans-65.6-49.4-179.3-56.90000111.5S33 E34 V35 H39 L40 L41 W70 V72S33-T37 WeakPolarHBondContact O-CB 3.33Å; S33-T37 PolarHBondContact O-N 2.86Å; S33-T37 PolarHBondContact O-OG1 2.85Å; E34-T37 PolarHBondContact O-N 2.96Å; E34-T37 VanDerWaalsContact O-N 3.12Å; V35-T37 VanDerWaalsContact C-N 3.29Å; V35-T37 PolarHBondContact O-N 2.92Å; T37-H39 VanDerWaalsContact C-N 3.31Å; T37-H39 PolarHBondContact O-N 2.91Å; T37-L40 PolarHBondContact O-N 3.05Å; T37-L41 HydrophobicContact CG2-CD1 3.98Å; T37-L41 HydrophobicContact CG2-CG 4.46Å; T37-L41 WeakPolarHBondContact O-CB 3.45Å; T37-L41 VanDerWaalsContact O-CG 3.25Å; T37-L41 WeakPolarHBondContact O-CG 3.45Å; T37-L41 PolarHBondContact O-N 3.18Å; T37-W70 VanDerWaalsContact OG1-CZ2 3.28Å; T37-W70 WeakPolarHBondContact OG1-CZ2 3.42Å; T37-W70 PolarHBondContact OG1-NE1 2.77Å; T37-W70 VanDerWaalsContact OG1-NE1 3.07Å; T37-V72 HydrophobicContact CG2-CG2 4.01Å
38R97.6Very high95.1Very high108 Ų10846.5 Ų46.541%0.40822%0.217SC..Hα-helixtrans-62-40.7179.8-66.9-66.9-176.5-174.80.7111.4E34 V35 L41 Q42 V136 H137E34-R38 HydrophobicContact CG-CG 4Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 VanDerWaalsContact O-CG 3.25Å; E34-R38 WeakPolarHBondContact O-CG 3.4Å; E34-R38 PolarHBondContact O-N 3.4Å; E34-R38 IonicContact OE1-NE 3.9Å; V35-R38 PolarHBondContact O-N 3.02Å; R38-L41 PolarHBondContact O-N 3.19Å; R38-Q42 WeakPolarHBondContact O-CB 3.43Å; R38-Q42 VanDerWaalsContact O-CG 3.29Å; R38-Q42 WeakPolarHBondContact O-CG 3.3Å; R38-Q42 PolarHBondContact O-N 3.16Å; R38-V136 HydrophobicContact CB-CG1 3.51Å; R38-H137 WeakPolarHBondContact CD-O 3.34Å; R38-H137 WeakPolarHBondContact CG-O 3.25Å
39H96.8Very high95.7Very high0 Ų042.2 Ų42.20%019%0.189CC..Hα-helixtrans-57-53.6174.8-174.663.6000112V35 T37 L41 Q42 R43 T49 F51 E134 V136 F147V35-H39 WeakPolarHBondContact O-CB 3.18Å; V35-H39 PolarHBondContact O-N 2.8Å; T37-H39 VanDerWaalsContact C-N 3.31Å; T37-H39 PolarHBondContact O-N 2.91Å; H39-L41 VanDerWaalsContact C-N 3.3Å; H39-L41 PolarHBondContact O-N 3.06Å; H39-Q42 PolarHBondContact O-N 3.13Å; H39-R43 VanDerWaalsContact CE1-CD 3.48Å; H39-R43 WeakPolarHBondContact CE1-CD 3.18Å; H39-R43 PolarHBondContact O-N 2.86Å; H39-R43 VanDerWaalsContact O-N 3.1Å; H39-T49 PolarHBondContact NE2-OG1 2.9Å; H39-F51 HydrophobicContact CB-CE1 4.48Å; H39-F51 HydrophobicContact CB-CE2 4.44Å; H39-F51 HydrophobicContact CB-CZ 4.14Å; H39-F51 AromaticContact CD2-CD1 3.36Å; H39-F51 WeakPolarHBondContact CD2-CD1 3.48Å; H39-F51 AromaticContact CD2-CE1 3.22Å; H39-F51 WeakPolarHBondContact CD2-CE1 3.46Å; H39-F51 AromaticContact CD2-CZ 3.74Å; H39-F51 AromaticContact CG-CE1 3.94Å; H39-F51 AromaticContact CG-CZ 4Å; H39-F51 AromaticContact NE2-CD1 3.48Å; H39-F51 WeakPolarHBondContact NE2-CD1 3.43Å; H39-F51 AromaticContact NE2-CE1 3.87Å; H39-F51 AromaticContact NE2-CG 3.97Å; H39-E134 IonicContact CE1-OE1 3.87Å; H39-E134 IonicContact CE1-OE2 3.69Å; H39-E134 IonicContact ND1-OE1 3.94Å; H39-V136 HydrophobicContact CB-CG1 4.46Å; H39-V136 HydrophobicContact CB-CG2 4.03Å; H39-F147 AromaticContact CE1-CZ 3.59Å; H39-F147 AromaticContact NE2-CZ 3.96Å
40L96.8Very high95.9Very high0 Ų039 Ų390%018%0.178CC..Hα-helixtrans-61.4-38.6179.4-67172.4000112.2L36 T37 R44 L45 T49 V72 Y77 C92L36-L40 HydrophobicContact CD1-CD1 3.97Å; L36-L40 HydrophobicContact CD1-CG 4.31Å; L36-L40 HydrophobicContact CG-CD1 4.33Å; L36-L40 VanDerWaalsContact O-CG 3.3Å; L36-L40 WeakPolarHBondContact O-CG 3.18Å; L36-L40 PolarHBondContact O-N 3.42Å; L36-L40 VanDerWaalsContact O-N 3.12Å; T37-L40 PolarHBondContact O-N 3.05Å; L40-R44 PolarHBondContact O-N 3.14Å; L40-L45 WeakPolarHBondContact O-CA 3.29Å; L40-L45 PolarHBondContact O-N 3.46Å; L40-T49 HydrophobicContact CD2-CG2 3.76Å; L40-V72 HydrophobicContact CB-CG1 4.46Å; L40-V72 HydrophobicContact CD1-CG1 4.03Å; L40-Y77 HydrophobicContact CD1-CD2 3.84Å; L40-Y77 HydrophobicContact CD1-CE2 4.11Å; L40-Y77 HydrophobicContact CD1-CG 4.07Å; L40-Y77 HydrophobicContact CD2-CD1 4.12Å; L40-Y77 HydrophobicContact CD2-CE1 3.84Å; L40-Y77 HydrophobicContact CD2-CE2 4.32Å; L40-Y77 HydrophobicContact CD2-CG 4.47Å; L40-C92 HydrophobicContact CD2-CB 4.18Å
41L96.7Very high95.9Very high44 Ų4438.8 Ų38.823%0.2318%0.177CC..Hα-helixtrans-69.6-44.1177.6-68.7178.8000112.8T37 R38 H39 R43 R44 L45 V72 Q73T37-L41 HydrophobicContact CG2-CD1 3.98Å; T37-L41 HydrophobicContact CG2-CG 4.46Å; T37-L41 WeakPolarHBondContact O-CB 3.45Å; T37-L41 VanDerWaalsContact O-CG 3.25Å; T37-L41 WeakPolarHBondContact O-CG 3.45Å; T37-L41 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 3.19Å; H39-L41 VanDerWaalsContact C-N 3.3Å; H39-L41 PolarHBondContact O-N 3.06Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 2.51Å; L41-R44 PolarHBondContact O-N 2.82Å; L41-L45 HydrophobicContact CD2-CD2 3.99Å; L41-V72 HydrophobicContact CD1-CG2 4.44Å; L41-V72 HydrophobicContact CD2-CG2 3.61Å; L41-V72 HydrophobicContact CG-CG2 3.88Å; L41-Q73 HydrophobicContact CD2-CB 4.15Å; L41-Q73 HydrophobicContact CD2-CG 3.66Å
42Q95.2Very high95.8Very high68 Ų6837.2 Ų37.232%0.31817%0.166SC..Hα-helixtrans-60.7-37.8178.2-80.5176.6-124.100112R38 H39 R44 T135 V136R38-Q42 WeakPolarHBondContact O-CB 3.43Å; R38-Q42 VanDerWaalsContact O-CG 3.29Å; R38-Q42 WeakPolarHBondContact O-CG 3.3Å; R38-Q42 PolarHBondContact O-N 3.16Å; H39-Q42 PolarHBondContact O-N 3.13Å; Q42-R44 PolarHBondContact O-N 3.44Å; Q42-T135 PolarHBondContact NE2-O 3.14Å; Q42-V136 VanDerWaalsContact OE1-CA 3.31Å
43R92.9Very high95.7Very high37 Ų3737.2 Ų37.214%0.1417%0.166CC..THydrogen-bonded Turntrans-84.515.7175.5-59.3-163.178.6-159.310.3113.8H39 L41 L45 P46 T49 E134 E151H39-R43 VanDerWaalsContact CE1-CD 3.48Å; H39-R43 WeakPolarHBondContact CE1-CD 3.18Å; H39-R43 PolarHBondContact O-N 2.86Å; H39-R43 VanDerWaalsContact O-N 3.1Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 2.51Å; R43-L45 VanDerWaalsContact C-N 3.33Å; R43-L45 PolarHBondContact O-N 2.99Å; R43-P46 HydrophobicContact CB-CG 3.98Å; R43-P46 WeakPolarHBondContact O-CD 3.34Å; R43-T49 PolarHBondContact NH1-OG1 3.43Å; R43-T49 VanDerWaalsContact NH1-OG1 3.11Å; R43-E134 IonicContact NE-OE2 3.83Å; R43-E151 IonicContact CZ-OE2 3.37Å; R43-E151 IonicContact NH1-OE2 3.12Å; R43-E151 PolarHBondContact NH1-OE2 2.92Å
44R94.9Very high95.5Very high229 Ų22937 Ų3786%0.86416%0.164SC*.THydrogen-bonded Turntrans55.642.5175.6-54.5179.7-175.8179.31.4113.6L40 L41 Q42L40-R44 PolarHBondContact O-N 3.14Å; L41-R44 PolarHBondContact O-N 2.82Å; Q42-R44 PolarHBondContact O-N 3.44Å
45L94.8Very high95.2Very high31 Ų3136.4 Ų36.416%0.16216%0.161CC..SBendtrans57.862.9177.9-54.1177.4000112.8L40 L41 R43 V72 Q73 A75 Y77 K94L40-L45 WeakPolarHBondContact O-CA 3.29Å; L40-L45 PolarHBondContact O-N 3.46Å; L41-L45 HydrophobicContact CD2-CD2 3.99Å; R43-L45 VanDerWaalsContact C-N 3.33Å; R43-L45 PolarHBondContact O-N 2.99Å; L45-V72 HydrophobicContact CD2-CG1 3.81Å; L45-V72 HydrophobicContact CD2-CG2 4.12Å; L45-Q73 HydrophobicContact CD1-CB 4.3Å; L45-A75 HydrophobicContact CD1-CB 4.26Å; L45-Y77 WeakPolarHBondContact CA-OH 3.35Å; L45-Y77 HydrophobicContact CD2-CE2 4.37Å; L45-Y77 PolarHBondContact O-OH 3.34Å; L45-K94 PolarHBondContact O-NZ 2.85Å; L45-K94 VanDerWaalsContact O-NZ 3.16Å
46P94.4Very high94.9Very high19 Ų1939.6 Ų39.612%0.12318%0.183CC..  trans-63.2158.9-175.930.9-36.5000111.3R43 W48 T49 Y77R43-P46 HydrophobicContact CB-CG 3.98Å; R43-P46 WeakPolarHBondContact O-CD 3.34Å; P46-W48 VanDerWaalsContact C-N 3.33Å; P46-W48 PolarHBondContact O-N 3.42Å; P46-T49 HydrophobicContact CG-CG2 4.26Å; P46-Y77 VanDerWaalsContact O-CE1 3.24Å; P46-Y77 WeakPolarHBondContact O-CE1 3.38Å; P46-Y77 PolarHBondContact O-OH 2.67Å
47H93.4Very high94.6Very high82 Ų8240.9 Ų40.938%0.3819%0.194SC..SBendtrans-63.2-41.4177-173.4-96.8000111.6K94 M156H47-K94 VanDerWaalsContact O-CB 3.28Å; H47-K94 WeakPolarHBondContact O-CB 3.44Å; H47-K94 PolarHBondContact O-N 3.48Å; H47-M156 HydrophobicContact CB-SD 4.22Å; H47-M156 PolarHBondContact CE1-O 3.33Å; H47-M156 VanDerWaalsContact CE1-O 3.24Å; H47-M156 PolarHBondContact ND1-O 2.97Å; H47-M156 VanDerWaalsContact ND1-O 3.08Å
48W94.2Very high94.4Very high58 Ų5839.4 Ų39.422%0.2219%0.185CC..EExtended strand (participates in β ladder)trans-145.3158.2172.276.7-89.6000111.8P46 C92 E151 A155 Y157P46-W48 VanDerWaalsContact C-N 3.33Å; P46-W48 PolarHBondContact O-N 3.42Å; W48-C92 CarbonylContact C-O 3.51Å; W48-C92 WeakPolarHBondContact CA-O 3.38Å; W48-E151 HydrophobicContact CH2-CG 3.98Å; W48-E151 HydrophobicContact CZ3-CG 4.3Å; W48-E151 WeakPolarHBondContact CZ3-OE1 3.39Å; W48-A155 VanDerWaalsContact CD1-O 3.31Å; W48-A155 HydrophobicContact CZ2-CB 4.49Å; W48-Y157 PolarHBondContact NE1-O 3.12Å
49T94.8Very high94.1Very high0 Ų042.4 Ų42.40%020%0.196CC..EExtended strand (participates in β ladder)trans-160.8151.2169.5-171.50000111.7H39 L40 R43 P46 F51 C92 E151H39-T49 PolarHBondContact NE2-OG1 2.9Å; L40-T49 HydrophobicContact CD2-CG2 3.76Å; R43-T49 PolarHBondContact NH1-OG1 3.43Å; R43-T49 VanDerWaalsContact NH1-OG1 3.11Å; P46-T49 HydrophobicContact CG-CG2 4.26Å; T49-F51 HydrophobicContact CG2-CD1 4.19Å; T49-F51 HydrophobicContact CG2-CE1 4.21Å; T49-C92 HydrophobicContact CG2-CB 4.02Å; T49-C92 PolarHBondContact N-O 3.23Å; T49-C92 PolarHBondContact O-N 2.92Å; T49-E151 WeakPolarHBondContact CA-OE2 3.36Å; T49-E151 WeakPolarHBondContact CB-OE2 3.22Å; T49-E151 PolarHBondContact OG1-OE2 2.85Å
50S94.3Very high94Very high23 Ų2342.9 Ų42.916%0.16120%0.198CC..  trans-143.592-169.6-173.90000112K89 Y90 F147 E151S50-K89 VanDerWaalsContact C-NZ 3.29Å; S50-K89 PolarHBondContact O-NZ 2.8Å; S50-K89 WeakPolarHBondContact OG-CE 3.36Å; S50-K89 PolarHBondContact OG-NZ 3.38Å; S50-Y90 CarbonylContact C-O 3.55Å; S50-Y90 VanDerWaalsContact CA-O 3.24Å; S50-Y90 WeakPolarHBondContact CA-O 3.47Å; S50-F147 WeakPolarHBondContact O-CD1 3.15Å; S50-E151 VanDerWaalsContact CA-OE1 3.27Å; S50-E151 WeakPolarHBondContact CA-OE1 3.48Å; S50-E151 VanDerWaalsContact CB-OE1 3.32Å; S50-E151 WeakPolarHBondContact CB-OE1 3.23Å; S50-E151 PolarHBondContact N-OE1 3.38Å
51F94.9Very high93.9Very high0 Ų046.3 Ų46.30%022%0.217CC..EExtended strand (participates in β ladder)trans-126.1162.2-172.863.9-79.2000112.5V35 L36 H39 T49 V53 Y90 V145 Y146 F147V35-F51 HydrophobicContact CG1-CE2 4.46Å; L36-F51 HydrophobicContact CD1-CE1 4.2Å; L36-F51 HydrophobicContact CD1-CZ 3.85Å; H39-F51 HydrophobicContact CB-CE1 4.48Å; H39-F51 HydrophobicContact CB-CE2 4.44Å; H39-F51 HydrophobicContact CB-CZ 4.14Å; H39-F51 AromaticContact CD2-CD1 3.36Å; H39-F51 WeakPolarHBondContact CD2-CD1 3.48Å; H39-F51 AromaticContact CD2-CE1 3.22Å; H39-F51 WeakPolarHBondContact CD2-CE1 3.46Å; H39-F51 AromaticContact CD2-CZ 3.74Å; H39-F51 AromaticContact CG-CE1 3.94Å; H39-F51 AromaticContact CG-CZ 4Å; H39-F51 AromaticContact NE2-CD1 3.48Å; H39-F51 WeakPolarHBondContact NE2-CD1 3.43Å; H39-F51 AromaticContact NE2-CE1 3.87Å; H39-F51 AromaticContact NE2-CG 3.97Å; T49-F51 HydrophobicContact CG2-CD1 4.19Å; T49-F51 HydrophobicContact CG2-CE1 4.21Å; F51-V53 HydrophobicContact CD2-CG2 3.69Å; F51-V53 HydrophobicContact CE2-CG2 3.48Å; F51-V53 VanDerWaalsContact CE2-CG2 3.48Å; F51-Y90 HydrophobicContact CD2-CD2 4.28Å; F51-Y90 HydrophobicContact CE1-CG 4.28Å; F51-Y90 AromaticContact CE2-CD2 3.64Å; F51-Y90 HydrophobicContact CE2-CD2 3.64Å; F51-Y90 HydrophobicContact CE2-CE2 4.38Å; F51-Y90 HydrophobicContact CE2-CG 4.17Å; F51-Y90 AromaticContact CZ-CD2 3.79Å; F51-Y90 HydrophobicContact CZ-CD2 3.79Å; F51-Y90 AromaticContact CZ-CG 3.84Å; F51-Y90 HydrophobicContact CZ-CG 3.84Å; F51-Y90 PolarHBondContact N-O 2.84Å; F51-Y90 VanDerWaalsContact N-O 3.1Å; F51-Y90 PolarHBondContact O-N 3.46Å; F51-V145 HydrophobicContact CD2-CB 4.09Å; F51-V145 HydrophobicContact CD2-CG1 4.13Å; F51-V145 HydrophobicContact CD2-CG2 4.47Å; F51-Y146 CarbonylContact C-O 3.13Å; F51-Y146 WeakPolarHBondContact CA-O 3.45Å; F51-F147 HydrophobicContact CB-CD1 4Å; F51-F147 HydrophobicContact CB-CE1 3.72Å; F51-F147 HydrophobicContact CB-CE2 4.4Å; F51-F147 HydrophobicContact CB-CG 4.49Å; F51-F147 HydrophobicContact CB-CZ 3.97Å
52C95.1Very high93.8Very high0 Ų044.4 Ų44.40%021%0.207CC..EExtended strand (participates in β ladder)trans-115.3131.6179.2-71.10000109.4F87 I88 K89 V145 Y146C52-F87 HydrophobicContact CB-CB 3.95Å; C52-F87 HydrophobicContact CB-CD1 4.13Å; C52-F87 HydrophobicContact CB-CG 4Å; C52-I88 CarbonylContact C-O 3.51Å; C52-I88 WeakPolarHBondContact CA-O 3.4Å; C52-K89 WeakPolarHBondContact SG-CD 3.17Å; C52-V145 WeakPolarHBondContact O-CA 3.38Å; C52-Y146 WeakPolarHBondContact CB-O 3.46Å; C52-Y146 PolarHBondContact N-O 3.12Å; C52-Y146 PolarHBondContact O-N 2.83Å
53V94.9Very high93.7Very high0 Ų043.5 Ų43.50%020%0.202CC..EExtended strand (participates in β ladder)trans-112.4125.2176.9-174.80000108.9V35 F51 Y55 V58 F87 I88 Y90 I143 V145V35-V53 HydrophobicContact CG1-CG1 4.16Å; V35-V53 HydrophobicContact CG1-CG2 3.77Å; F51-V53 HydrophobicContact CD2-CG2 3.69Å; F51-V53 HydrophobicContact CE2-CG2 3.48Å; F51-V53 VanDerWaalsContact CE2-CG2 3.48Å; V53-Y55 PolarHBondContact O-N 3.32Å; V53-V58 HydrophobicContact CG1-CB 4.33Å; V53-V58 HydrophobicContact CG1-CG1 3.45Å; V53-V58 VanDerWaalsContact CG1-CG1 3.45Å; V53-V58 HydrophobicContact CG1-CG2 3.88Å; V53-F87 CarbonylContact O-C 3.48Å; V53-F87 VanDerWaalsContact O-CA 3.3Å; V53-F87 WeakPolarHBondContact O-CA 3.38Å; V53-I88 PolarHBondContact N-O 3.33Å; V53-I88 PolarHBondContact O-N 2.63Å; V53-Y90 HydrophobicContact CB-CE2 4.37Å; V53-Y90 HydrophobicContact CG2-CD2 3.95Å; V53-Y90 HydrophobicContact CG2-CE2 3.79Å; V53-I143 HydrophobicContact CG1-CD1 4.4Å; V53-V145 HydrophobicContact CG2-CG1 4.05Å
54P93.1Very high93.6Very high11 Ų1142.9 Ų42.97%0.07121%0.207CC..EExtended strand (participates in β ladder)trans-63.2134.2178.4-20.331.2000111.9S56 A57 F87 T144 Y146P54-S56 PolarHBondContact O-N 3.11Å; P54-A57 HydrophobicContact CB-CB 4.16Å; P54-A57 HydrophobicContact CG-CB 4.42Å; P54-A57 PolarHBondContact O-N 2.92Å; P54-F87 HydrophobicContact CB-CD1 4.26Å; P54-F87 HydrophobicContact CB-CE1 4.41Å; P54-F87 HydrophobicContact CG-CD1 4.12Å; P54-F87 HydrophobicContact CG-CE1 4.09Å; P54-T144 WeakPolarHBondContact CD-O 3.42Å; P54-Y146 HydrophobicContact CG-CD2 3.93Å; P54-Y146 HydrophobicContact CG-CE2 3.44Å; P54-Y146 VanDerWaalsContact CG-CE2 3.44Å
55Y91.6Very high93.6Very high16 Ų1634.8 Ų34.86%0.06318%0.18CC..G310 helixtrans-58.4-30.6172.2-82.4-62.8000112.6H8 L12 V53 A57 N60 G83 F85 P86 F87 I88H8-Y55 AromaticContact NE2-CE1 3.7Å; H8-Y55 AromaticContact NE2-CZ 3.87Å; L12-Y55 HydrophobicContact CD1-CD1 3.51Å; L12-Y55 HydrophobicContact CD1-CD2 4.41Å; L12-Y55 HydrophobicContact CD1-CE1 3.96Å; L12-Y55 HydrophobicContact CD1-CG 3.78Å; L12-Y55 HydrophobicContact CD2-CD1 4.35Å; L12-Y55 HydrophobicContact CD2-CD2 3.73Å; L12-Y55 HydrophobicContact CD2-CE2 4.22Å; L12-Y55 HydrophobicContact CD2-CG 3.82Å; L12-Y55 HydrophobicContact CG-CG 4.47Å; V53-Y55 PolarHBondContact O-N 3.32Å; Y55-A57 PolarHBondContact O-N 3.02Å; Y55-N60 HydrophobicContact CE1-CB 4.5Å; Y55-G83 WeakPolarHBondContact OH-CA 3.4Å; Y55-F85 HydrophobicContact CD2-CD2 4.39Å; Y55-P86 VanDerWaalsContact CD2-C 3.48Å; Y55-P86 VanDerWaalsContact CD2-O 3.31Å; Y55-P86 WeakPolarHBondContact CD2-O 3.24Å; Y55-P86 PolarHBondContact N-O 3.25Å; Y55-F87 WeakPolarHBondContact CE2-O 3.27Å; Y55-I88 HydrophobicContact CD1-CD1 3.84Å; Y55-I88 HydrophobicContact CD1-CG1 3.64Å; Y55-I88 HydrophobicContact CE1-CD1 3.6Å; Y55-I88 HydrophobicContact CE1-CG1 3.18Å; Y55-I88 HydrophobicContact CE2-CG1 4.24Å; Y55-I88 HydrophobicContact CG-CG1 4.33Å
56S90.4Very high93.6Very high67 Ų6733.5 Ų33.547%0.46917%0.174SC..G310 helixtrans-65.7-22.7177.255.20000113.1K29 P54K29-S56 VanDerWaalsContact CE-O 3.27Å; K29-S56 WeakPolarHBondContact CE-O 3.46Å; K29-S56 PolarHBondContact NZ-O 2.93Å; P54-S56 PolarHBondContact O-N 3.11Å
57A91Very high93.7Very high27 Ų2733.8 Ų33.822%0.22317%0.174CC..G310 helixtrans-96.4-15-173.400000114.3P54 Y55P54-A57 HydrophobicContact CB-CB 4.16Å; P54-A57 HydrophobicContact CG-CB 4.42Å; P54-A57 PolarHBondContact O-N 2.92Å; Y55-A57 PolarHBondContact O-N 3.02Å
58V93.6Very high94Very high8 Ų830.9 Ų30.95%0.04816%0.16CC..SBendtrans-136.4161.7-171.3-59.80000113.8P30 A32 V35 V53 I88 I143P30-V58 HydrophobicContact CG-CG1 4.37Å; P30-V58 WeakPolarHBondContact O-CA 3.46Å; A32-V58 HydrophobicContact CB-CB 4.43Å; A32-V58 HydrophobicContact CB-CG2 4.09Å; V35-V58 HydrophobicContact CG2-CG1 3.68Å; V53-V58 HydrophobicContact CG1-CB 4.33Å; V53-V58 HydrophobicContact CG1-CG1 3.45Å; V53-V58 VanDerWaalsContact CG1-CG1 3.45Å; V53-V58 HydrophobicContact CG1-CG2 3.88Å; V58-I88 HydrophobicContact CG2-CD1 3.94Å; V58-I143 HydrophobicContact CG1-CD1 4.23Å
59R93.2Very high94.2Very high170 Ų17029.5 Ų29.564%0.64216%0.157SC*.BIsolated β-bridgetrans-90126.7162.5-69.3176.960.3-164.2-3.8109.7K29 P30 A32 D61K29-R59 HydrophobicContact CB-CG 4.26Å; P30-R59 PolarHBondContact O-N 3.44Å; A32-R59 PolarHBondContact N-O 3.24Å; R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 3.23Å
60N93.8Very high94.3Very high10 Ų1031.9 Ų31.95%0.05317%0.166CC..  trans-82.973.9-178.1-172.84.5000112.1Y55 Q62 F63 R81 I88Y55-N60 HydrophobicContact CE1-CB 4.5Å; N60-Q62 VanDerWaalsContact C-N 3.28Å; N60-Q62 PolarHBondContact O-N 3.18Å; N60-F63 PolarHBondContact O-N 2.79Å; N60-F63 PolarHBondContact OD1-N 2.86Å; N60-R81 VanDerWaalsContact CG-NH2 3.27Å; N60-R81 PolarHBondContact ND2-NH2 2.96Å; N60-R81 PolarHBondContact OD1-NH2 3.1Å; N60-I88 HydrophobicContact CB-CD1 4.22Å
61D94.8Very high94.5Very high72 Ų7235.5 Ų35.539%0.38519%0.189SC..THydrogen-bonded Turntrans-74.6-16.5178.666.1-43.9000113.7A32 S33 R59A32-D61 PolarHBondContact N-OD1 2.74Å; S33-D61 WeakPolarHBondContact CB-OD2 3.42Å; S33-D61 PolarHBondContact N-OD1 3.34Å; S33-D61 VanDerWaalsContact N-OD1 3.14Å; S33-D61 PolarHBondContact OG-OD2 3.28Å; R59-D61 VanDerWaalsContact C-N 3.33Å; R59-D61 PolarHBondContact O-N 3.23Å
62Q95.2Very high94.6Very high5 Ų535.9 Ų35.92%0.02319%0.191CC..THydrogen-bonded Turntrans-9517.1176.7-64173.9-36.700112.8N60 G64 L65 W70 R81 Y90N60-Q62 VanDerWaalsContact C-N 3.28Å; N60-Q62 PolarHBondContact O-N 3.18Å; Q62-G64 PolarHBondContact O-N 3.41Å; Q62-L65 HydrophobicContact CB-CD1 4.22Å; Q62-L65 HydrophobicContact CG-CD1 4.48Å; Q62-L65 WeakPolarHBondContact O-CB 3.37Å; Q62-L65 PolarHBondContact O-N 2.71Å; Q62-L65 VanDerWaalsContact O-N 3.11Å; Q62-W70 VanDerWaalsContact NE2-CZ3 3.31Å; Q62-R81 PolarHBondContact O-NH1 2.81Å; Q62-Y90 PolarHBondContact OE1-OH 2.84Å
63F91.9Very high94.5Very high49 Ų4943.1 Ų43.122%0.21523%0.225CC..THydrogen-bonded Turntrans-56136.3-179.9-176.2-92.1000111.8M1 L4 R5 H8 N60 L65M1-F63 HydrophobicContact CE-CE1 4.34Å; L4-F63 HydrophobicContact CB-CE1 4.41Å; L4-F63 HydrophobicContact CD2-CE1 4.17Å; L4-F63 HydrophobicContact CD2-CZ 4.18Å; L4-F63 HydrophobicContact CG-CE1 4.13Å; L4-F63 HydrophobicContact CG-CZ 4.01Å; R5-F63 HydrophobicContact CB-CD1 3.77Å; R5-F63 HydrophobicContact CB-CE1 4.1Å; R5-F63 HydrophobicContact CB-CG 4.29Å; R5-F63 HydrophobicContact CG-CB 4.22Å; R5-F63 HydrophobicContact CG-CD1 4.14Å; R5-F63 HydrophobicContact CG-CG 4.17Å; H8-F63 HydrophobicContact CB-CE2 3.78Å; H8-F63 HydrophobicContact CB-CZ 4.07Å; H8-F63 AromaticContact CD2-CD2 3.6Å; H8-F63 AromaticContact CD2-CE2 3.42Å; H8-F63 VanDerWaalsContact CD2-CE2 3.42Å; H8-F63 WeakPolarHBondContact CD2-CE2 3.38Å; H8-F63 AromaticContact CG-CE2 3.5Å; H8-F63 AromaticContact NE2-CE2 3.93Å; N60-F63 PolarHBondContact O-N 2.79Å; N60-F63 PolarHBondContact OD1-N 2.86Å; F63-L65 VanDerWaalsContact C-N 3.27Å; F63-L65 PolarHBondContact O-N 3.1Å
64G90.6Very high94.5Very high23 Ų2347.5 Ų47.524%0.23727%0.271CS..THydrogen-bonded Turntrans84.3-11.6-176.600000115.2Q62 T108Q62-G64 PolarHBondContact O-N 3.41Å; G64-T108 PolarHBondContact O-OG1 2.66Å
65L94.8Very high94.6Very high60 Ų6047.7 Ų47.731%0.31427%0.273SS..  trans-85.2130.4171-59.1178.8000110.7Q62 F63 F68 R81Q62-L65 HydrophobicContact CB-CD1 4.22Å; Q62-L65 HydrophobicContact CG-CD1 4.48Å; Q62-L65 WeakPolarHBondContact O-CB 3.37Å; Q62-L65 PolarHBondContact O-N 2.71Å; Q62-L65 VanDerWaalsContact O-N 3.11Å; F63-L65 VanDerWaalsContact C-N 3.27Å; F63-L65 PolarHBondContact O-N 3.1Å; L65-F68 HydrophobicContact CB-CD1 3.6Å; L65-F68 HydrophobicContact CB-CE1 3.73Å; L65-F68 HydrophobicContact CB-CG 4.43Å; L65-F68 HydrophobicContact CD1-CD1 4.15Å; L65-F68 HydrophobicContact CD1-CE1 4.28Å; L65-F68 HydrophobicContact CD1-CG 4.26Å; L65-F68 HydrophobicContact CG-CD1 4.41Å; L65-R81 PolarHBondContact O-NH1 3.11Å
66S95.4Very high94.9Very high4 Ų447.9 Ų47.93%0.02828%0.275CS..SBendtrans-116.6-40178.9-65.20000112.6R81 N104 T108 K111S66-R81 PolarHBondContact O-N 2.66Å; S66-N104 PolarHBondContact N-OD1 3.46Å; S66-T108 WeakPolarHBondContact CB-OG1 3.25Å; S66-T108 PolarHBondContact OG-OG1 2.87Å; S66-K111 PolarHBondContact OG-NZ 2.65Å
67H97.5Very high95.3Very high25 Ų2544.7 Ų44.712%0.11625%0.253CS..EExtended strand (participates in β ladder)trans-144.1118.5177-166.4-147.4000110V79 L80 Q103 N104 F107H67-V79 VanDerWaalsContact CA-O 3.3Å; H67-V79 WeakPolarHBondContact CA-O 3.34Å; H67-V79 PolarHBondContact CD2-O 3.1Å; H67-L80 HydrophobicContact CB-CD1 4.24Å; H67-Q103 PolarHBondContact CE1-OE1 2.9Å; H67-Q103 PolarHBondContact ND1-OE1 2.89Å; H67-N104 PolarHBondContact N-OD1 2.89Å; H67-N104 WeakPolarHBondContact O-CB 3.01Å; H67-N104 PolarHBondContact O-OD1 3.09Å; H67-F107 HydrophobicContact CB-CD2 3.92Å; H67-F107 HydrophobicContact CB-CE2 4.34Å
68F98.1Very high95.6Very high21 Ų2144.6 Ų44.69%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-153.9161.2-172.757.8-84.3000112.5L36 L65 W70 V79 R81L36-F68 HydrophobicContact CD2-CE2 4.45Å; L65-F68 HydrophobicContact CB-CD1 3.6Å; L65-F68 HydrophobicContact CB-CE1 3.73Å; L65-F68 HydrophobicContact CB-CG 4.43Å; L65-F68 HydrophobicContact CD1-CD1 4.15Å; L65-F68 HydrophobicContact CD1-CE1 4.28Å; L65-F68 HydrophobicContact CD1-CG 4.26Å; L65-F68 HydrophobicContact CG-CD1 4.41Å; F68-W70 HydrophobicContact CD2-CE3 4.04Å; F68-W70 HydrophobicContact CE2-CB 4.46Å; F68-W70 HydrophobicContact CE2-CD2 4.29Å; F68-W70 AromaticContact CE2-CE3 3.55Å; F68-W70 HydrophobicContact CE2-CE3 3.55Å; F68-W70 HydrophobicContact CE2-CZ3 4.2Å; F68-V79 HydrophobicContact CD1-CB 4.49Å; F68-V79 HydrophobicContact CD2-CB 4.25Å; F68-V79 HydrophobicContact CE1-CB 4.19Å; F68-V79 HydrophobicContact CE1-CG1 3.86Å; F68-V79 HydrophobicContact CE2-CB 3.9Å; F68-V79 HydrophobicContact CE2-CG1 4.03Å; F68-V79 HydrophobicContact CE2-CG2 4.32Å; F68-V79 HydrophobicContact CZ-CB 3.89Å; F68-V79 HydrophobicContact CZ-CG1 3.53Å; F68-V79 PolarHBondContact N-O 2.87Å; F68-V79 VanDerWaalsContact N-O 3.08Å; F68-V79 PolarHBondContact O-N 3.1Å; F68-R81 HydrophobicContact CE1-CB 3.89Å
69N98.2Very high95.8Very high28 Ų2844.2 Ų44.215%0.1525%0.245CC..EExtended strand (participates in β ladder)trans-79.5137.8172.5-70.1-79.3000110.3N76 Y77 H78 Q98N69-N76 WeakPolarHBondContact CB-OD1 3.47Å; N69-N76 PolarHBondContact OD1-ND2 3.33Å; N69-Y77 CarbonylContact C-O 3.48Å; N69-Y77 WeakPolarHBondContact CA-O 3.32Å; N69-H78 PolarHBondContact OD1-CD2 3.21Å; N69-Q98 PolarHBondContact ND2-O 3.49Å; N69-Q98 PolarHBondContact OD1-N 3.4Å
70W98.3Very high96Very high50 Ų5039.3 Ų39.319%0.18923%0.232CC..EExtended strand (participates in β ladder)trans-126.195.5174.7-163.1-103.9000110.3L36 T37 Q62 F68 N76 Y77 V79L36-W70 HydrophobicContact CD2-CB 4.47Å; L36-W70 HydrophobicContact CD2-CD2 3.64Å; L36-W70 HydrophobicContact CD2-CE3 4.26Å; L36-W70 HydrophobicContact CD2-CG 3.72Å; L36-W70 HydrophobicContact CD2-CZ2 4.37Å; L36-W70 HydrophobicContact CG-CD2 4.45Å; L36-W70 HydrophobicContact CG-CG 4.33Å; T37-W70 VanDerWaalsContact OG1-CZ2 3.28Å; T37-W70 WeakPolarHBondContact OG1-CZ2 3.42Å; T37-W70 PolarHBondContact OG1-NE1 2.77Å; T37-W70 VanDerWaalsContact OG1-NE1 3.07Å; Q62-W70 VanDerWaalsContact NE2-CZ3 3.31Å; F68-W70 HydrophobicContact CD2-CE3 4.04Å; F68-W70 HydrophobicContact CE2-CB 4.46Å; F68-W70 HydrophobicContact CE2-CD2 4.29Å; F68-W70 AromaticContact CE2-CE3 3.55Å; F68-W70 HydrophobicContact CE2-CE3 3.55Å; F68-W70 HydrophobicContact CE2-CZ3 4.2Å; W70-N76 PolarHBondContact N-OD1 2.89Å; W70-Y77 PolarHBondContact N-O 3.08Å; W70-Y77 PolarHBondContact O-N 3.4Å; W70-V79 HydrophobicContact CB-CG2 3.53Å; W70-V79 HydrophobicContact CG-CG2 4.34Å
71P97.8Very high96.1Very high100 Ų10039.3 Ų39.365%0.64923%0.231SC*.EExtended strand (participates in β ladder)trans-74.1130.9175.929.6-32.8000110.5A75P71-A75 CarbonylContact C-O 3.59Å; P71-A75 WeakPolarHBondContact CA-O 3.41Å
72V96.6Very high96Very high8 Ų837.2 Ų37.25%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-148.1120.2178.358.20000110.2T37 L40 L41 L45 G74 A75 Y77T37-V72 HydrophobicContact CG2-CG2 4.01Å; L40-V72 HydrophobicContact CB-CG1 4.46Å; L40-V72 HydrophobicContact CD1-CG1 4.03Å; L41-V72 HydrophobicContact CD1-CG2 4.44Å; L41-V72 HydrophobicContact CD2-CG2 3.61Å; L41-V72 HydrophobicContact CG-CG2 3.88Å; L45-V72 HydrophobicContact CD2-CG1 3.81Å; L45-V72 HydrophobicContact CD2-CG2 4.12Å; V72-G74 VanDerWaalsContact C-N 3.35Å; V72-G74 PolarHBondContact O-N 3.1Å; V72-A75 PolarHBondContact N-O 3.12Å; V72-A75 WeakPolarHBondContact O-CB 3.33Å; V72-A75 PolarHBondContact O-N 2.61Å; V72-Y77 HydrophobicContact CG1-CD2 3.62Å; V72-Y77 HydrophobicContact CG1-CE2 3.57Å
73Q94.3Very high95.7Very high151 Ų15137.9 Ų37.971%0.70623%0.229SC*.THydrogen-bonded Turntrans42.252.7177.5-72.5-1714.200114.9L41 L45 A75L41-Q73 HydrophobicContact CD2-CB 4.15Å; L41-Q73 HydrophobicContact CD2-CG 3.66Å; L45-Q73 HydrophobicContact CD1-CB 4.3Å; Q73-A75 PolarHBondContact O-N 3.37Å
74G93.6Very high95.5Very high93 Ų9335.5 Ų35.596%0.95922%0.218SC*.THydrogen-bonded Turntrans78.1-5.3177.800000115.2V72V72-G74 VanDerWaalsContact C-N 3.35Å; V72-G74 PolarHBondContact O-N 3.1Å
75A96.3Very high95.4Very high15 Ų1537 Ų3712%0.12422%0.218CC..EExtended strand (participates in β ladder)trans-98.9161.5166.900000111.1L45 P71 V72 Q73 Y77L45-A75 HydrophobicContact CD1-CB 4.26Å; P71-A75 CarbonylContact C-O 3.59Å; P71-A75 WeakPolarHBondContact CA-O 3.41Å; V72-A75 PolarHBondContact N-O 3.12Å; V72-A75 WeakPolarHBondContact O-CB 3.33Å; V72-A75 PolarHBondContact O-N 2.61Å; Q73-A75 PolarHBondContact O-N 3.37Å; A75-Y77 HydrophobicContact CB-CE2 4.14Å
76N97.9Very high95.2Very high19 Ų1935 Ų3510%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-126.1143.5168.9177.772.3000109.7N69 W70 K94 A95 P96N69-N76 WeakPolarHBondContact CB-OD1 3.47Å; N69-N76 PolarHBondContact OD1-ND2 3.33Å; W70-N76 PolarHBondContact N-OD1 2.89Å; N76-K94 WeakPolarHBondContact O-CA 3.5Å; N76-A95 CarbonylContact C-O 3.42Å; N76-A95 VanDerWaalsContact CB-O 3.31Å; N76-A95 WeakPolarHBondContact CB-O 3.34Å; N76-A95 PolarHBondContact ND2-O 2.91Å; N76-A95 PolarHBondContact O-N 3.17Å; N76-P96 PolarHBondContact ND2-O 3.33Å
77Y98.1Very high95.1Very high0 Ų035.4 Ų35.40%021%0.21CC..EExtended strand (participates in β ladder)trans-118.5136.1174-72.4-98.2000110.1L40 L45 P46 N69 W70 V72 A75 C92 S93 K94L40-Y77 HydrophobicContact CD1-CD2 3.84Å; L40-Y77 HydrophobicContact CD1-CE2 4.11Å; L40-Y77 HydrophobicContact CD1-CG 4.07Å; L40-Y77 HydrophobicContact CD2-CD1 4.12Å; L40-Y77 HydrophobicContact CD2-CE1 3.84Å; L40-Y77 HydrophobicContact CD2-CE2 4.32Å; L40-Y77 HydrophobicContact CD2-CG 4.47Å; L45-Y77 WeakPolarHBondContact CA-OH 3.35Å; L45-Y77 HydrophobicContact CD2-CE2 4.37Å; L45-Y77 PolarHBondContact O-OH 3.34Å; P46-Y77 VanDerWaalsContact O-CE1 3.24Å; P46-Y77 WeakPolarHBondContact O-CE1 3.38Å; P46-Y77 PolarHBondContact O-OH 2.67Å; N69-Y77 CarbonylContact C-O 3.48Å; N69-Y77 WeakPolarHBondContact CA-O 3.32Å; W70-Y77 PolarHBondContact N-O 3.08Å; W70-Y77 PolarHBondContact O-N 3.4Å; V72-Y77 HydrophobicContact CG1-CD2 3.62Å; V72-Y77 HydrophobicContact CG1-CE2 3.57Å; A75-Y77 HydrophobicContact CB-CE2 4.14Å; Y77-C92 HydrophobicContact CD1-CB 3.88Å; Y77-S93 CarbonylContact C-O 3.57Å; Y77-S93 VanDerWaalsContact CA-O 3.3Å; Y77-S93 WeakPolarHBondContact CA-O 3.48Å; Y77-K94 HydrophobicContact CD1-CB 4.16Å; Y77-K94 HydrophobicContact CE1-CB 3.7Å; Y77-K94 HydrophobicContact CE1-CG 4.22Å; Y77-K94 HydrophobicContact CE2-CG 4.41Å
78H98.3Very high95Very high25 Ų2534.2 Ų34.212%0.11621%0.205CC..EExtended strand (participates in β ladder)trans-80.9116.8159.5-67-175.5000107N69 S93 P96 L100N69-H78 PolarHBondContact OD1-CD2 3.21Å; H78-S93 PolarHBondContact N-O 3.02Å; H78-S93 PolarHBondContact O-N 3.48Å; H78-P96 PolarHBondContact NE2-O 3.04Å; H78-L100 HydrophobicContact CB-CD1 4.17Å
79V98.1Very high94.9Very high0 Ų033.7 Ų33.70%020%0.203CC..EExtended strand (participates in β ladder)trans-107.5107.8-176.4178.20000108.7L36 H67 F68 W70 R81 Y90 H91L36-V79 HydrophobicContact CD2-CG1 4.36Å; L36-V79 HydrophobicContact CD2-CG2 4.27Å; H67-V79 VanDerWaalsContact CA-O 3.3Å; H67-V79 WeakPolarHBondContact CA-O 3.34Å; H67-V79 PolarHBondContact CD2-O 3.1Å; F68-V79 HydrophobicContact CD1-CB 4.49Å; F68-V79 HydrophobicContact CD2-CB 4.25Å; F68-V79 HydrophobicContact CE1-CB 4.19Å; F68-V79 HydrophobicContact CE1-CG1 3.86Å; F68-V79 HydrophobicContact CE2-CB 3.9Å; F68-V79 HydrophobicContact CE2-CG1 4.03Å; F68-V79 HydrophobicContact CE2-CG2 4.32Å; F68-V79 HydrophobicContact CZ-CB 3.89Å; F68-V79 HydrophobicContact CZ-CG1 3.53Å; F68-V79 PolarHBondContact N-O 2.87Å; F68-V79 VanDerWaalsContact N-O 3.08Å; F68-V79 PolarHBondContact O-N 3.1Å; W70-V79 HydrophobicContact CB-CG2 3.53Å; W70-V79 HydrophobicContact CG-CG2 4.34Å; V79-R81 HydrophobicContact CG1-CB 4.36Å; V79-Y90 HydrophobicContact CG1-CD1 3.76Å; V79-Y90 HydrophobicContact CG1-CE1 4.35Å; V79-H91 WeakPolarHBondContact CA-O 3.42Å
80L96.9Very high94.8Very high68 Ų6832.4 Ų32.436%0.35620%0.196SC..EExtended strand (participates in β ladder)trans-89115.7167.2-175.767.7000108.3H67 H91 F107H67-L80 HydrophobicContact CB-CD1 4.24Å; L80-H91 HydrophobicContact CB-CB 4.33Å; L80-H91 PolarHBondContact N-O 3.49Å; L80-H91 PolarHBondContact O-N 3.2Å; L80-F107 HydrophobicContact CD1-CD2 3.94Å; L80-F107 HydrophobicContact CD1-CE2 3.92Å; L80-F107 HydrophobicContact CD1-CG 4.37Å; L80-F107 HydrophobicContact CD1-CZ 4.33Å
81R95.2Very high94.7Very high9 Ų933.3 Ų33.33%0.03420%0.202CC..EExtended strand (participates in β ladder)trans-120.2137.5-171.9-178.6-177.5173.2-84.7-9.7110.6N60 Q62 L65 S66 F68 V79 I88 K89 Y90 K111N60-R81 VanDerWaalsContact CG-NH2 3.27Å; N60-R81 PolarHBondContact ND2-NH2 2.96Å; N60-R81 PolarHBondContact OD1-NH2 3.1Å; Q62-R81 PolarHBondContact O-NH1 2.81Å; L65-R81 PolarHBondContact O-NH1 3.11Å; S66-R81 PolarHBondContact O-N 2.66Å; F68-R81 HydrophobicContact CE1-CB 3.89Å; V79-R81 HydrophobicContact CG1-CB 4.36Å; R81-I88 HydrophobicContact CG-CG2 4.06Å; R81-K89 WeakPolarHBondContact CA-O 3.45Å; R81-Y90 HydrophobicContact CB-CD1 4.46Å; R81-Y90 HydrophobicContact CB-CE1 4.44Å; R81-Y90 HydrophobicContact CG-CD1 4.24Å; R81-Y90 HydrophobicContact CG-CE1 3.88Å; R81-Y90 PolarHBondContact NE-OH 2.82Å; R81-K111 PolarHBondContact O-NZ 3.04Å
82T92.8Very high94.7Very high28 Ų2828.5 Ų28.517%0.17217%0.171CC..EExtended strand (participates in β ladder)trans-139.3141.6167.9-165.10000111.8C84 K89 K111 T119 Y122T82-C84 HydrophobicContact CG2-CB 4.33Å; T82-C84 PolarHBondContact O-N 3.21Å; T82-K89 HydrophobicContact CG2-CB 3.87Å; T82-K89 HydrophobicContact CG2-CG 4.48Å; T82-K89 PolarHBondContact N-O 2.89Å; T82-K89 PolarHBondContact O-N 3.04Å; T82-K111 WeakPolarHBondContact OG1-CE 3.47Å; T82-T119 WeakPolarHBondContact OG1-CG2 3.43Å; T82-Y122 HydrophobicContact CG2-CD1 4.41Å
83G89.1Confident94.7Very high19 Ų1930 Ų3020%0.19618%0.182CC..EExtended strand (participates in β ladder)trans-79.1116.3167.200000108.4Y55 T119Y55-G83 WeakPolarHBondContact OH-CA 3.4Å; G83-T119 VanDerWaalsContact O-CB 3.23Å; G83-T119 WeakPolarHBondContact O-CB 3.31Å; G83-T119 PolarHBondContact O-OG1 3.5Å
84C88.3Confident94.8Very high0 Ų026.8 Ų26.80%017%0.165CC..EExtended strand (participates in β ladder)trans-13183.8-177.559.30000109.3T82 F87 K89 T119 Y122 G123T82-C84 HydrophobicContact CG2-CB 4.33Å; T82-C84 PolarHBondContact O-N 3.21Å; C84-F87 CarbonylContact C-O 3.56Å; C84-F87 WeakPolarHBondContact CA-O 3.49Å; C84-F87 PolarHBondContact N-O 3Å; C84-F87 CarbonylContact O-C 3.55Å; C84-F87 WeakPolarHBondContact O-CA 3.4Å; C84-F87 PolarHBondContact O-N 3.48Å; C84-K89 VanDerWaalsContact SG-CB 3.5Å; C84-T119 VanDerWaalsContact CA-O 3.26Å; C84-T119 WeakPolarHBondContact CA-O 3.38Å; C84-T119 VanDerWaalsContact CB-O 3.31Å; C84-T119 WeakPolarHBondContact CB-O 3.41Å; C84-Y122 HydrophobicContact CB-CD1 3.88Å; C84-G123 WeakPolarHBondContact O-CA 3.47Å
85F87.9Confident94.9Very high54 Ų5423.4 Ų23.424%0.23713%0.129CC..THydrogen-bonded Turntrans-50.2129.5-170.7-179.1-90.8000112.1L12 L15 L16 Y55 L120 G123L12-F85 HydrophobicContact CD2-CD2 3.6Å; L12-F85 HydrophobicContact CD2-CE2 3.79Å; L15-F85 HydrophobicContact CB-CE2 4.05Å; L15-F85 HydrophobicContact CB-CZ 3.78Å; L15-F85 HydrophobicContact CD1-CE2 4.31Å; L15-F85 HydrophobicContact CD1-CZ 4.33Å; L16-F85 HydrophobicContact CD1-CE2 4.44Å; L16-F85 HydrophobicContact CD2-CE2 3.69Å; L16-F85 HydrophobicContact CD2-CZ 3.7Å; L16-F85 HydrophobicContact CG-CE2 3.92Å; L16-F85 HydrophobicContact CG-CZ 4.26Å; Y55-F85 HydrophobicContact CD2-CD2 4.39Å; F85-L120 HydrophobicContact CB-CD1 4.03Å; F85-L120 HydrophobicContact CD1-CD1 4.33Å; F85-G123 CarbonylContact O-C 3.5Å; F85-G123 VanDerWaalsContact O-C 3.28Å; F85-G123 VanDerWaalsContact O-CA 3.28Å; F85-G123 WeakPolarHBondContact O-CA 3.31Å
86P91Very high94.9Very high19 Ų1927.6 Ų27.612%0.12315%0.154CC..THydrogen-bonded Turncis-91.81612.736.9-36.6000115.8L16 Y55 W127L16-P86 HydrophobicContact CD2-CB 4.18Å; Y55-P86 VanDerWaalsContact CD2-C 3.48Å; Y55-P86 VanDerWaalsContact CD2-O 3.31Å; Y55-P86 WeakPolarHBondContact CD2-O 3.24Å; Y55-P86 PolarHBondContact N-O 3.25Å; P86-W127 HydrophobicContact CG-CD2 4.37Å; P86-W127 HydrophobicContact CG-CG 4.36Å
87F93.4Very high94.9Very high11 Ų1135.2 Ų35.25%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-117.5165.3-175.6-51.7-78.9000114.1C52 V53 P54 Y55 C84 W127 Y146C52-F87 HydrophobicContact CB-CB 3.95Å; C52-F87 HydrophobicContact CB-CD1 4.13Å; C52-F87 HydrophobicContact CB-CG 4Å; V53-F87 CarbonylContact O-C 3.48Å; V53-F87 VanDerWaalsContact O-CA 3.3Å; V53-F87 WeakPolarHBondContact O-CA 3.38Å; P54-F87 HydrophobicContact CB-CD1 4.26Å; P54-F87 HydrophobicContact CB-CE1 4.41Å; P54-F87 HydrophobicContact CG-CD1 4.12Å; P54-F87 HydrophobicContact CG-CE1 4.09Å; Y55-F87 WeakPolarHBondContact CE2-O 3.27Å; C84-F87 CarbonylContact C-O 3.56Å; C84-F87 WeakPolarHBondContact CA-O 3.49Å; C84-F87 PolarHBondContact N-O 3Å; C84-F87 CarbonylContact O-C 3.55Å; C84-F87 WeakPolarHBondContact O-CA 3.4Å; C84-F87 PolarHBondContact O-N 3.48Å; F87-W127 HydrophobicContact CE2-CB 3.8Å; F87-W127 HydrophobicContact CE2-CG 4.14Å; F87-W127 HydrophobicContact CZ-CG 4.48Å; F87-Y146 HydrophobicContact CD1-CD2 4.45Å; F87-Y146 AromaticContact CE1-CD2 3.92Å; F87-Y146 HydrophobicContact CE1-CD2 3.92Å; F87-Y146 HydrophobicContact CE1-CE2 4.21Å; F87-Y146 HydrophobicContact CE1-CG 4.31Å
88I95.1Very high94.8Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-103119.6157.5-54.5168.1000106.6A32 C52 V53 Y55 V58 N60 R81 Y90A32-I88 HydrophobicContact CB-CD1 4.12Å; C52-I88 CarbonylContact C-O 3.51Å; C52-I88 WeakPolarHBondContact CA-O 3.4Å; V53-I88 PolarHBondContact N-O 3.33Å; V53-I88 PolarHBondContact O-N 2.63Å; Y55-I88 HydrophobicContact CD1-CD1 3.84Å; Y55-I88 HydrophobicContact CD1-CG1 3.64Å; Y55-I88 HydrophobicContact CE1-CD1 3.6Å; Y55-I88 HydrophobicContact CE1-CG1 3.18Å; Y55-I88 HydrophobicContact CE2-CG1 4.24Å; Y55-I88 HydrophobicContact CG-CG1 4.33Å; V58-I88 HydrophobicContact CG2-CD1 3.94Å; N60-I88 HydrophobicContact CB-CD1 4.22Å; R81-I88 HydrophobicContact CG-CG2 4.06Å; I88-Y90 HydrophobicContact CB-CE2 4.04Å; I88-Y90 HydrophobicContact CG2-CD2 4.25Å; I88-Y90 HydrophobicContact CG2-CE1 4.41Å; I88-Y90 HydrophobicContact CG2-CE2 3.51Å
89K95.3Very high94.7Very high11 Ų1144.1 Ų44.15%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-89.6133.6173.9179.976.2-173.5174.10110S50 C52 R81 T82 C84 Y122S50-K89 VanDerWaalsContact C-NZ 3.29Å; S50-K89 PolarHBondContact O-NZ 2.8Å; S50-K89 WeakPolarHBondContact OG-CE 3.36Å; S50-K89 PolarHBondContact OG-NZ 3.38Å; C52-K89 WeakPolarHBondContact SG-CD 3.17Å; R81-K89 WeakPolarHBondContact CA-O 3.45Å; T82-K89 HydrophobicContact CG2-CB 3.87Å; T82-K89 HydrophobicContact CG2-CG 4.48Å; T82-K89 PolarHBondContact N-O 2.89Å; T82-K89 PolarHBondContact O-N 3.04Å; C84-K89 VanDerWaalsContact SG-CB 3.5Å; K89-Y122 HydrophobicContact CB-CE1 4.26Å; K89-Y122 HydrophobicContact CD-CE1 4.24Å; K89-Y122 HydrophobicContact CG-CE1 3.96Å
90Y96.8Very high94.6Very high0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-113.4139.5168-66.4-83.6000109.6A32 L36 S50 F51 V53 Q62 V79 R81 I88A32-Y90 WeakPolarHBondContact CB-OH 3.26Å; L36-Y90 HydrophobicContact CD1-CD1 4.17Å; L36-Y90 HydrophobicContact CD1-CG 4.49Å; L36-Y90 HydrophobicContact CD2-CD1 4.33Å; L36-Y90 HydrophobicContact CD2-CE1 4.18Å; S50-Y90 CarbonylContact C-O 3.55Å; S50-Y90 VanDerWaalsContact CA-O 3.24Å; S50-Y90 WeakPolarHBondContact CA-O 3.47Å; F51-Y90 HydrophobicContact CD2-CD2 4.28Å; F51-Y90 HydrophobicContact CE1-CG 4.28Å; F51-Y90 AromaticContact CE2-CD2 3.64Å; F51-Y90 HydrophobicContact CE2-CD2 3.64Å; F51-Y90 HydrophobicContact CE2-CE2 4.38Å; F51-Y90 HydrophobicContact CE2-CG 4.17Å; F51-Y90 AromaticContact CZ-CD2 3.79Å; F51-Y90 HydrophobicContact CZ-CD2 3.79Å; F51-Y90 AromaticContact CZ-CG 3.84Å; F51-Y90 HydrophobicContact CZ-CG 3.84Å; F51-Y90 PolarHBondContact N-O 2.84Å; F51-Y90 VanDerWaalsContact N-O 3.1Å; F51-Y90 PolarHBondContact O-N 3.46Å; V53-Y90 HydrophobicContact CB-CE2 4.37Å; V53-Y90 HydrophobicContact CG2-CD2 3.95Å; V53-Y90 HydrophobicContact CG2-CE2 3.79Å; Q62-Y90 PolarHBondContact OE1-OH 2.84Å; V79-Y90 HydrophobicContact CG1-CD1 3.76Å; V79-Y90 HydrophobicContact CG1-CE1 4.35Å; R81-Y90 HydrophobicContact CB-CD1 4.46Å; R81-Y90 HydrophobicContact CB-CE1 4.44Å; R81-Y90 HydrophobicContact CG-CD1 4.24Å; R81-Y90 HydrophobicContact CG-CE1 3.88Å; R81-Y90 PolarHBondContact NE-OH 2.82Å; I88-Y90 HydrophobicContact CB-CE2 4.04Å; I88-Y90 HydrophobicContact CG2-CD2 4.25Å; I88-Y90 HydrophobicContact CG2-CE1 4.41Å; I88-Y90 HydrophobicContact CG2-CE2 3.51Å
91H96.1Very high94.6Very high69 Ų6942.8 Ų42.832%0.31923%0.225SC..EExtended strand (participates in β ladder)trans-127.7117.9160.8-176.581.4000106.7V79 L80 S93V79-H91 WeakPolarHBondContact CA-O 3.42Å; L80-H91 HydrophobicContact CB-CB 4.33Å; L80-H91 PolarHBondContact N-O 3.49Å; L80-H91 PolarHBondContact O-N 3.2Å; H91-S93 PolarHBondContact NE2-OG 2.84Å
92C96.9Very high94.6Very high0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-118.7125.9-173.2-51.90000108.1L36 L40 W48 T49 Y77L36-C92 VanDerWaalsContact CD1-SG 3.51Å; L40-C92 HydrophobicContact CD2-CB 4.18Å; W48-C92 CarbonylContact C-O 3.51Å; W48-C92 WeakPolarHBondContact CA-O 3.38Å; T49-C92 HydrophobicContact CG2-CB 4.02Å; T49-C92 PolarHBondContact N-O 3.23Å; T49-C92 PolarHBondContact O-N 2.92Å; Y77-C92 HydrophobicContact CD1-CB 3.88Å
93S96.6Very high94.7Very high40 Ų4054.6 Ų54.628%0.2827%0.27SS..EExtended strand (participates in β ladder)trans-124.7126.9175.2-51.50000108.8Y77 H78 H91 A95Y77-S93 CarbonylContact C-O 3.57Å; Y77-S93 VanDerWaalsContact CA-O 3.3Å; Y77-S93 WeakPolarHBondContact CA-O 3.48Å; H78-S93 PolarHBondContact N-O 3.02Å; H78-S93 PolarHBondContact O-N 3.48Å; H91-S93 PolarHBondContact NE2-OG 2.84Å; S93-A95 PolarHBondContact O-N 2.71Å
94K96.3Very high95.1Very high82 Ų8255.1 Ų55.136%0.35727%0.269SS..EExtended strand (participates in β ladder)trans-68.2120.3179.4-164.2175.9-165.8168.20108.5L45 H47 N76 Y77L45-K94 PolarHBondContact O-NZ 2.85Å; L45-K94 VanDerWaalsContact O-NZ 3.16Å; H47-K94 VanDerWaalsContact O-CB 3.28Å; H47-K94 WeakPolarHBondContact O-CB 3.44Å; H47-K94 PolarHBondContact O-N 3.48Å; N76-K94 WeakPolarHBondContact O-CA 3.5Å; Y77-K94 HydrophobicContact CD1-CB 4.16Å; Y77-K94 HydrophobicContact CE1-CB 3.7Å; Y77-K94 HydrophobicContact CE1-CG 4.22Å; Y77-K94 HydrophobicContact CE2-CG 4.41Å
95A95.8Very high95.4Very high23 Ų2362.3 Ų62.319%0.1930%0.296CS..  trans-155.7150.9-175.200000110.9N76 S93N76-A95 CarbonylContact C-O 3.42Å; N76-A95 VanDerWaalsContact CB-O 3.31Å; N76-A95 WeakPolarHBondContact CB-O 3.34Å; N76-A95 PolarHBondContact ND2-O 2.91Å; N76-A95 PolarHBondContact O-N 3.17Å; S93-A95 PolarHBondContact O-N 2.71Å
96P97Very high95.8Very high102 Ų10265.6 Ų65.666%0.66231%0.31SS*.  trans-54.5154.2170.8-23.433.8000111.6N76 H78 Q98N76-P96 PolarHBondContact ND2-O 3.33Å; H78-P96 PolarHBondContact NE2-O 3.04Å; P96-Q98 PolarHBondContact O-N 3.01Å
97W97.5Very high95.9Very high180 Ų18068 Ų6868%0.68232%0.319SS*.  trans-58.5136.6175.6-174.197.5000110.8D99W97-D99 HydrophobicContact CH2-CB 4.18Å
98Q96.7Very high95.8Very high99 Ų9969.2 Ų69.246%0.46333%0.327SS..  trans-141.5155.6174.8-66.6-176.41400110.5N69 P96 L100N69-Q98 PolarHBondContact ND2-O 3.49Å; N69-Q98 PolarHBondContact OD1-N 3.4Å; P96-Q98 PolarHBondContact O-N 3.01Å; Q98-L100 HydrophobicContact CB-CD2 4.12Å; Q98-L100 PolarHBondContact O-N 2.84Å
99D96.5Very high95.7Very high112 Ų11271.7 Ų71.760%0.59935%0.347SS*.  trans-73.799.8170.8-178.58.5000110.7W97 A101W97-D99 HydrophobicContact CH2-CB 4.18Å; D99-A101 WeakPolarHBondContact OD1-CB 3.47Å; D99-A101 PolarHBondContact OD1-N 3.22Å
100L96.6Very high95.5Very high5 Ų574.4 Ų74.43%0.02636%0.362CS..  trans-92.75.6178.9-54.9177.8000112.9H78 Q98 R102 Q103 N104H78-L100 HydrophobicContact CB-CD1 4.17Å; Q98-L100 HydrophobicContact CB-CD2 4.12Å; Q98-L100 PolarHBondContact O-N 2.84Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 3.22Å; L100-Q103 VanDerWaalsContact CD2-OE1 3.26Å; L100-Q103 PolarHBondContact O-N 3.19Å; L100-Q103 VanDerWaalsContact O-N 3.15Å; L100-N104 WeakPolarHBondContact O-CB 3.43Å; L100-N104 PolarHBondContact O-N 2.81Å
101A96.1Very high95.2Very high35 Ų3576.8 Ų76.829%0.28937%0.373SS..Hα-helixtrans-61.7-37.2-170.800000113.1D99 R105D99-A101 WeakPolarHBondContact OD1-CB 3.47Å; D99-A101 PolarHBondContact OD1-N 3.22Å; A101-R105 WeakPolarHBondContact O-CG 3.22Å; A101-R105 PolarHBondContact O-N 3.25Å; A101-R105 VanDerWaalsContact O-N 3.08Å
102R95.5Very high94.8Very high197 Ų19778.2 Ų78.274%0.74339%0.386SS*.Hα-helixtrans-64.8-46.8176-68.4-176.7-176.9-164.60.8111.5L100 R105 F106L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 3.22Å; R102-R105 PolarHBondContact O-N 3.42Å; R102-F106 WeakPolarHBondContact O-CB 3.37Å; R102-F106 PolarHBondContact O-N 3.08Å
103Q95.3Very high94.5Very high89 Ų8983.6 Ų83.642%0.41642%0.419SS..Hα-helixtrans-66-40.9179-66.1171.1-8.500111.2H67 L100 R105 F106 F107H67-Q103 PolarHBondContact CE1-OE1 2.9Å; H67-Q103 PolarHBondContact ND1-OE1 2.89Å; L100-Q103 VanDerWaalsContact CD2-OE1 3.26Å; L100-Q103 PolarHBondContact O-N 3.19Å; L100-Q103 VanDerWaalsContact O-N 3.15Å; Q103-R105 PolarHBondContact O-N 3.3Å; Q103-F106 PolarHBondContact O-N 2.85Å; Q103-F107 HydrophobicContact CB-CD2 4.44Å; Q103-F107 HydrophobicContact CB-CE2 4.29Å; Q103-F107 WeakPolarHBondContact O-CD2 3Å; Q103-F107 PolarHBondContact O-N 3.13Å
104N95.7Very high94.2Very high30 Ų3085.4 Ų85.416%0.1643%0.425CS..Hα-helixtrans-55-50.9173.7-170.443.2000111.6S66 H67 L100 F106 T108S66-N104 PolarHBondContact N-OD1 3.46Å; H67-N104 PolarHBondContact N-OD1 2.89Å; H67-N104 WeakPolarHBondContact O-CB 3.01Å; H67-N104 PolarHBondContact O-OD1 3.09Å; L100-N104 WeakPolarHBondContact O-CB 3.43Å; L100-N104 PolarHBondContact O-N 2.81Å; N104-F106 PolarHBondContact O-N 2.76Å; N104-T108 WeakPolarHBondContact O-CB 3.38Å; N104-T108 PolarHBondContact O-N 3.5Å; N104-T108 PolarHBondContact O-OG1 3.27Å; N104-T108 VanDerWaalsContact O-OG1 3.07Å
105R95.4Very high93.7Very high150 Ų15088.4 Ų88.457%0.56644%0.444SS*.Hα-helixtrans-61.8-43.5178.1-74.2-171.3-62.9-93.74.3111.6A101 R102 Q103 T108 A109A101-R105 WeakPolarHBondContact O-CG 3.22Å; A101-R105 PolarHBondContact O-N 3.25Å; A101-R105 VanDerWaalsContact O-N 3.08Å; R102-R105 PolarHBondContact O-N 3.42Å; Q103-R105 PolarHBondContact O-N 3.3Å; R105-T108 PolarHBondContact O-N 2.88Å; R105-A109 VanDerWaalsContact O-CB 3.26Å; R105-A109 WeakPolarHBondContact O-CB 2.99Å; R105-A109 PolarHBondContact O-N 3.38Å
106F95.7Very high93.1Very high123 Ų12388.3 Ų88.354%0.53945%0.445SS..Hα-helixtrans-59.1-53.3178176.9-105.7000112R102 Q103 N104 T108 A109 L110R102-F106 WeakPolarHBondContact O-CB 3.37Å; R102-F106 PolarHBondContact O-N 3.08Å; Q103-F106 PolarHBondContact O-N 2.85Å; N104-F106 PolarHBondContact O-N 2.76Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 3.45Å; F106-A109 PolarHBondContact O-N 2.87Å; F106-L110 HydrophobicContact CD1-CD1 3.97Å; F106-L110 HydrophobicContact CE1-CD1 3.39Å; F106-L110 HydrophobicContact CE1-CG 4.21Å; F106-L110 HydrophobicContact CE2-CD1 4.23Å; F106-L110 HydrophobicContact CE2-CD2 4.45Å; F106-L110 HydrophobicContact CE2-CG 4.25Å; F106-L110 HydrophobicContact CZ-CD1 3.55Å; F106-L110 HydrophobicContact CZ-CD2 4.34Å; F106-L110 HydrophobicContact CZ-CG 4.05Å; F106-L110 WeakPolarHBondContact O-CG 3.31Å; F106-L110 PolarHBondContact O-N 3.01Å
107F93.8Very high92.7Very high69 Ų6988 Ų8830%0.30344%0.437SS..Hα-helixtrans-65-36.4179.2-70.6-58000112.8H67 L80 Q103 L110 K111H67-F107 HydrophobicContact CB-CD2 3.92Å; H67-F107 HydrophobicContact CB-CE2 4.34Å; L80-F107 HydrophobicContact CD1-CD2 3.94Å; L80-F107 HydrophobicContact CD1-CE2 3.92Å; L80-F107 HydrophobicContact CD1-CG 4.37Å; L80-F107 HydrophobicContact CD1-CZ 4.33Å; Q103-F107 HydrophobicContact CB-CD2 4.44Å; Q103-F107 HydrophobicContact CB-CE2 4.29Å; Q103-F107 WeakPolarHBondContact O-CD2 3Å; Q103-F107 PolarHBondContact O-N 3.13Å; F107-L110 HydrophobicContact CD1-CD1 4.39Å; F107-K111 WeakPolarHBondContact O-CG 3.42Å; F107-K111 PolarHBondContact O-N 3.18Å
108T91.9Very high92.2Very high38 Ų3882.7 Ų82.723%0.23343%0.426CS..Hα-helixtrans-65.5-44.3174.1-66.30000111.2G64 S66 N104 R105 F106 K111 V112G64-T108 PolarHBondContact O-OG1 2.66Å; S66-T108 WeakPolarHBondContact CB-OG1 3.25Å; S66-T108 PolarHBondContact OG-OG1 2.87Å; N104-T108 WeakPolarHBondContact O-CB 3.38Å; N104-T108 PolarHBondContact O-N 3.5Å; N104-T108 PolarHBondContact O-OG1 3.27Å; N104-T108 VanDerWaalsContact O-OG1 3.07Å; R105-T108 PolarHBondContact O-N 2.88Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 3.45Å; T108-K111 PolarHBondContact O-N 2.83Å; T108-V112 WeakPolarHBondContact O-CG2 3.3Å; T108-V112 PolarHBondContact O-N 2.96Å
109A92.2Very high91.7Very high51 Ų5179.4 Ų79.442%0.42141%0.413SS..Hα-helixtrans-62.2-43.4176.800000111.7R105 F106 K111 V112 V113R105-A109 VanDerWaalsContact O-CB 3.26Å; R105-A109 WeakPolarHBondContact O-CB 2.99Å; R105-A109 PolarHBondContact O-N 3.38Å; F106-A109 PolarHBondContact O-N 2.87Å; A109-K111 VanDerWaalsContact C-N 3.3Å; A109-K111 PolarHBondContact O-N 3.38Å; A109-V112 PolarHBondContact O-N 2.81Å; A109-V112 VanDerWaalsContact O-N 3.1Å; A109-V113 WeakPolarHBondContact O-CG2 3.23Å; A109-V113 PolarHBondContact O-N 2.8Å
110L91.9Very high91.2Very high68 Ų6878 Ų7836%0.35641%0.405SS..Hα-helixtrans-57-42.1175.9-77.7-179.7000112.5F106 F107 V112 N114F106-L110 HydrophobicContact CD1-CD1 3.97Å; F106-L110 HydrophobicContact CE1-CD1 3.39Å; F106-L110 HydrophobicContact CE1-CG 4.21Å; F106-L110 HydrophobicContact CE2-CD1 4.23Å; F106-L110 HydrophobicContact CE2-CD2 4.45Å; F106-L110 HydrophobicContact CE2-CG 4.25Å; F106-L110 HydrophobicContact CZ-CD1 3.55Å; F106-L110 HydrophobicContact CZ-CD2 4.34Å; F106-L110 HydrophobicContact CZ-CG 4.05Å; F106-L110 WeakPolarHBondContact O-CG 3.31Å; F106-L110 PolarHBondContact O-N 3.01Å; F107-L110 HydrophobicContact CD1-CD1 4.39Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 2.95Å; L110-N114 WeakPolarHBondContact O-CB 3.46Å; L110-N114 PolarHBondContact O-N 3.02Å; L110-N114 PolarHBondContact O-ND2 2.79Å
111K89.1Confident90.8Very high51 Ų5183.1 Ų83.122%0.22243%0.432CS..Hα-helixtrans-64-40177.2-68.5168.1-173.6169.70111.6S66 R81 T82 F107 T108 A109 L115 G116 T119S66-K111 PolarHBondContact OG-NZ 2.65Å; R81-K111 PolarHBondContact O-NZ 3.04Å; T82-K111 WeakPolarHBondContact OG1-CE 3.47Å; F107-K111 WeakPolarHBondContact O-CG 3.42Å; F107-K111 PolarHBondContact O-N 3.18Å; T108-K111 PolarHBondContact O-N 2.83Å; A109-K111 VanDerWaalsContact C-N 3.3Å; A109-K111 PolarHBondContact O-N 3.38Å; K111-L115 PolarHBondContact O-N 2.97Å; K111-G116 PolarHBondContact O-N 3Å; K111-T119 HydrophobicContact CD-CG2 4.35Å; K111-T119 HydrophobicContact CG-CG2 3.95Å
112V88.6Confident90.4Very high98 Ų9886.2 Ų86.259%0.59444%0.436SS*.Hα-helixtrans-67.2-48178.1174.10000111T108 A109 L110 N114 L115T108-V112 WeakPolarHBondContact O-CG2 3.3Å; T108-V112 PolarHBondContact O-N 2.96Å; A109-V112 PolarHBondContact O-N 2.81Å; A109-V112 VanDerWaalsContact O-N 3.1Å; L110-V112 VanDerWaalsContact C-N 3.33Å; L110-V112 PolarHBondContact O-N 2.95Å; V112-N114 VanDerWaalsContact C-N 3.26Å; V112-N114 PolarHBondContact O-N 3.23Å; V112-L115 PolarHBondContact O-N 3.02Å
113V91.3Very high90Very high114 Ų11476.8 Ų76.869%0.69140%0.401SS*.Hα-helixtrans-59.2-39.3178.8170.50000111.3A109 L115A109-V113 WeakPolarHBondContact O-CG2 3.23Å; A109-V113 PolarHBondContact O-N 2.8Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 3.15Å
114N90Very high89.6Confident77 Ų7776.2 Ų76.241%0.41240%0.4SS..THydrogen-bonded Turntrans-87.212.3178.2-69.3-79000113.8L110 V112 G116 I117 P118L110-N114 WeakPolarHBondContact O-CB 3.46Å; L110-N114 PolarHBondContact O-N 3.02Å; L110-N114 PolarHBondContact O-ND2 2.79Å; V112-N114 VanDerWaalsContact C-N 3.26Å; V112-N114 PolarHBondContact O-N 3.23Å; N114-G116 PolarHBondContact O-N 2.97Å; N114-I117 PolarHBondContact O-N 2.84Å; N114-P118 HydrophobicContact CB-CG 3.99Å
115L86.2Confident89.2Confident146 Ų14675.8 Ų75.876%0.76440%0.403SS*.THydrogen-bonded Turntrans50.926.5-179.2-56.1177.3000114K111 V112 V113 I117K111-L115 PolarHBondContact O-N 2.97Å; V112-L115 PolarHBondContact O-N 3.02Å; V113-L115 VanDerWaalsContact C-N 3.26Å; V113-L115 PolarHBondContact O-N 3.15Å; L115-I117 HydrophobicContact CB-CD1 4.5Å; L115-I117 HydrophobicContact CB-CG1 4.43Å; L115-I117 PolarHBondContact O-N 3.41Å
116G83.3Confident88.6Confident20 Ų2068.7 Ų68.721%0.20638%0.376CS..THydrogen-bonded Turntrans67.84.9-176.400000115.8K111 N114 T119 L120K111-G116 PolarHBondContact O-N 3Å; N114-G116 PolarHBondContact O-N 2.97Å; G116-T119 PolarHBondContact O-N 3.41Å; G116-T119 PolarHBondContact O-OG1 3.04Å; G116-L120 PolarHBondContact O-N 2.78Å
117I87.4Confident88.1Confident96 Ų9670.7 Ų70.749%0.49238%0.38SS..Hα-helixtrans-56.8-48.8-176.7-62.7167.9000112.1N114 L115 T119 L120 L121N114-I117 PolarHBondContact O-N 2.84Å; L115-I117 HydrophobicContact CB-CD1 4.5Å; L115-I117 HydrophobicContact CB-CG1 4.43Å; L115-I117 PolarHBondContact O-N 3.41Å; I117-T119 PolarHBondContact O-N 3.3Å; I117-L120 PolarHBondContact O-N 2.85Å; I117-L120 VanDerWaalsContact O-N 3.15Å; I117-L121 HydrophobicContact CG2-CD1 4.18Å; I117-L121 HydrophobicContact CG2-CG 4.46Å; I117-L121 PolarHBondContact O-N 2.75Å
118P86.8Confident87.6Confident69 Ų6973.7 Ų73.745%0.44840%0.399SS..Hα-helixtrans-60.1-34.8177.7-24.735.3000112.6N114 Y122N114-P118 HydrophobicContact CB-CG 3.99Å; P118-Y122 VanDerWaalsContact O-CB 3.3Å; P118-Y122 WeakPolarHBondContact O-CB 3.47Å; P118-Y122 PolarHBondContact O-N 2.84Å
119T87.1Confident87.2Confident30 Ų3078.1 Ų78.118%0.18442%0.415CS..Hα-helixtrans-71.9-33.6-179.870.90000112.3T82 G83 C84 K111 G116 I117 G123T82-T119 WeakPolarHBondContact OG1-CG2 3.43Å; G83-T119 VanDerWaalsContact O-CB 3.23Å; G83-T119 WeakPolarHBondContact O-CB 3.31Å; G83-T119 PolarHBondContact O-OG1 3.5Å; C84-T119 VanDerWaalsContact CA-O 3.26Å; C84-T119 WeakPolarHBondContact CA-O 3.38Å; C84-T119 VanDerWaalsContact CB-O 3.31Å; C84-T119 WeakPolarHBondContact CB-O 3.41Å; K111-T119 HydrophobicContact CD-CG2 4.35Å; K111-T119 HydrophobicContact CG-CG2 3.95Å; G116-T119 PolarHBondContact O-N 3.41Å; G116-T119 PolarHBondContact O-OG1 3.04Å; I117-T119 PolarHBondContact O-N 3.3Å; T119-G123 PolarHBondContact O-N 3.5Å
120L86.4Confident86.7Confident83 Ų8376.6 Ų76.644%0.43540%0.403SS..Hα-helixtrans-68.1-48.9173.6-179.664000111.2F85 G116 I117 Y122 G123 L124F85-L120 HydrophobicContact CB-CD1 4.03Å; F85-L120 HydrophobicContact CD1-CD1 4.33Å; G116-L120 PolarHBondContact O-N 2.78Å; I117-L120 PolarHBondContact O-N 2.85Å; I117-L120 VanDerWaalsContact O-N 3.15Å; L120-Y122 VanDerWaalsContact C-N 3.29Å; L120-Y122 PolarHBondContact O-N 2.95Å; L120-G123 WeakPolarHBondContact O-CA 3.33Å; L120-G123 PolarHBondContact O-N 3.4Å; L120-L124 PolarHBondContact O-N 2.65Å
121L87.9Confident86.1Confident112 Ų11283.6 Ų83.659%0.58642%0.424SS*.Hα-helixtrans-59-42.8177.2-68.6175.9000111.5I117 G123 L124 G125I117-L121 HydrophobicContact CG2-CD1 4.18Å; I117-L121 HydrophobicContact CG2-CG 4.46Å; I117-L121 PolarHBondContact O-N 2.75Å; L121-G123 VanDerWaalsContact C-N 3.29Å; L121-G123 PolarHBondContact O-N 2.9Å; L121-L124 PolarHBondContact O-N 2.87Å; L121-G125 PolarHBondContact O-N 3.34Å
122Y87.7Confident86Confident99 Ų9983.6 Ų83.639%0.38843%0.429SS..Hα-helixtrans-63.5-35.1175.1-174.4-109.2000112.6T82 C84 K89 P118 L120 S126 L148T82-Y122 HydrophobicContact CG2-CD1 4.41Å; C84-Y122 HydrophobicContact CB-CD1 3.88Å; K89-Y122 HydrophobicContact CB-CE1 4.26Å; K89-Y122 HydrophobicContact CD-CE1 4.24Å; K89-Y122 HydrophobicContact CG-CE1 3.96Å; P118-Y122 VanDerWaalsContact O-CB 3.3Å; P118-Y122 WeakPolarHBondContact O-CB 3.47Å; P118-Y122 PolarHBondContact O-N 2.84Å; L120-Y122 VanDerWaalsContact C-N 3.29Å; L120-Y122 PolarHBondContact O-N 2.95Å; Y122-S126 VanDerWaalsContact O-CB 3.31Å; Y122-S126 WeakPolarHBondContact O-CB 3.43Å; Y122-S126 PolarHBondContact O-N 2.9Å; Y122-S126 PolarHBondContact O-OG 3.47Å; Y122-L148 HydrophobicContact CE2-CD2 4.49Å
123G86.8Confident86.2Confident0 Ų082.8 Ų82.80%042%0.424CS..Hα-helixtrans-65.8-44.6175.300000112.9C84 F85 T119 L120 L121 S126 W127C84-G123 WeakPolarHBondContact O-CA 3.47Å; F85-G123 CarbonylContact O-C 3.5Å; F85-G123 VanDerWaalsContact O-C 3.28Å; F85-G123 VanDerWaalsContact O-CA 3.28Å; F85-G123 WeakPolarHBondContact O-CA 3.31Å; T119-G123 PolarHBondContact O-N 3.5Å; L120-G123 WeakPolarHBondContact O-CA 3.33Å; L120-G123 PolarHBondContact O-N 3.4Å; L121-G123 VanDerWaalsContact C-N 3.29Å; L121-G123 PolarHBondContact O-N 2.9Å; G123-S126 PolarHBondContact O-N 2.95Å; G123-W127 PolarHBondContact O-N 3.19Å
124L87.1Confident86.2Confident76 Ų7679.8 Ų79.840%0.39840%0.402SS..Hα-helixtrans-61.4-45.7173.9-67.7173.6000111.6L120 L121 W127 L128L120-L124 PolarHBondContact O-N 2.65Å; L121-L124 PolarHBondContact O-N 2.87Å; L124-W127 HydrophobicContact CD2-CE3 4.47Å; L124-W127 WeakPolarHBondContact O-CB 3.3Å; L124-W127 PolarHBondContact O-N 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.39Å; L124-L128 VanDerWaalsContact O-N 3.14Å
125G85.8Confident86.5Confident22 Ų2279.1 Ų79.123%0.22740%0.401CS..Hα-helixtrans-59.5-47.8173.900000111.8L121 W127 L128 F129L121-G125 PolarHBondContact O-N 3.34Å; G125-W127 PolarHBondContact O-N 3.01Å; G125-L128 PolarHBondContact O-N 2.97Å; G125-L128 VanDerWaalsContact O-N 3.09Å; G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.35Å
126S84.7Confident86.9Confident0 Ų072.2 Ų72.20%037%0.365CS..Hα-helixtrans-58.1-37.5176.7-62.10000112Y122 G123 F129 A130Y122-S126 VanDerWaalsContact O-CB 3.31Å; Y122-S126 WeakPolarHBondContact O-CB 3.43Å; Y122-S126 PolarHBondContact O-N 2.9Å; Y122-S126 PolarHBondContact O-OG 3.47Å; G123-S126 PolarHBondContact O-N 2.95Å; S126-F129 PolarHBondContact O-N 3.45Å; S126-A130 WeakPolarHBondContact O-CA 3.26Å; S126-A130 WeakPolarHBondContact O-CB 3.41Å; S126-A130 PolarHBondContact O-N 3.2Å
127W84.1Confident87.5Confident166 Ų16676.8 Ų76.863%0.62938%0.381SS*.Hα-helixtrans-64.9-40.1176.4-168.915.6000112.9P86 F87 G123 L124 G125 F129P86-W127 HydrophobicContact CG-CD2 4.37Å; P86-W127 HydrophobicContact CG-CG 4.36Å; F87-W127 HydrophobicContact CE2-CB 3.8Å; F87-W127 HydrophobicContact CE2-CG 4.14Å; F87-W127 HydrophobicContact CZ-CG 4.48Å; G123-W127 PolarHBondContact O-N 3.19Å; L124-W127 HydrophobicContact CD2-CE3 4.47Å; L124-W127 WeakPolarHBondContact O-CB 3.3Å; L124-W127 PolarHBondContact O-N 3.31Å; G125-W127 PolarHBondContact O-N 3.01Å; W127-F129 VanDerWaalsContact C-N 3.35Å
128L83.8Confident87.9Confident132 Ų13273 Ų7369%0.69136%0.362SS*.Hα-helixtrans-70-31177.9-66.1171.7000112.9L124 G125L124-L128 WeakPolarHBondContact O-CG 3.31Å; L124-L128 PolarHBondContact O-N 3.39Å; L124-L128 VanDerWaalsContact O-N 3.14Å; G125-L128 PolarHBondContact O-N 2.97Å; G125-L128 VanDerWaalsContact O-N 3.09Å
129F83.6Confident88.2Confident130 Ų13073.7 Ų73.757%0.5737%0.369SS*.Hα-helixtrans-104-13-173.6-67.4-66.8000115.1G125 S126 W127 R131G125-F129 WeakPolarHBondContact O-CD2 3.46Å; G125-F129 PolarHBondContact O-N 3.35Å; S126-F129 PolarHBondContact O-N 3.45Å; W127-F129 VanDerWaalsContact C-N 3.35Å; F129-R131 PolarHBondContact O-N 2.89Å
130A81.8Confident88.4Confident20 Ų2078.1 Ų78.117%0.16538%0.383CS..  trans-66.789.1178.600000111.8S126 Y146S126-A130 WeakPolarHBondContact O-CA 3.26Å; S126-A130 WeakPolarHBondContact O-CB 3.41Å; S126-A130 PolarHBondContact O-N 3.2Å; A130-Y146 HydrophobicContact CB-CD1 4.12Å; A130-Y146 HydrophobicContact CB-CG 4.38Å
131R78.1Confident88.6Confident214 Ų21475.4 Ų75.481%0.80838%0.375SS*.  trans-104.4-28.2-179.3-67.3-177.4179.5-164.40.5113.5F129F129-R131 PolarHBondContact O-N 2.89Å
132V87.8Confident88.9Confident52 Ų5274.4 Ų74.432%0.31538%0.375SS..EExtended strand (participates in β ladder)trans-93.7133.4-177.9176.80000108.2Y146 F147 K150V132-Y146 CarbonylContact O-C 3.28Å; V132-Y146 WeakPolarHBondContact O-CA 3.28Å; V132-F147 HydrophobicContact CB-CB 4.04Å; V132-F147 HydrophobicContact CG1-CB 4.21Å; V132-F147 HydrophobicContact CG1-CD2 4.2Å; V132-F147 PolarHBondContact N-O 2.88Å; V132-F147 PolarHBondContact O-N 3.44Å; V132-K150 HydrophobicContact CG2-CB 4.13Å
133T92.1Very high89.1Confident81 Ų8170.6 Ų70.650%0.49736%0.361SS..EExtended strand (participates in β ladder)trans-128.4149.1-18061.30000110.7T144 V145 Y146T133-T144 HydrophobicContact CG2-CG2 3.92Å; T133-V145 CarbonylContact C-O 3.59Å; T133-V145 VanDerWaalsContact CA-O 3.25Å; T133-V145 WeakPolarHBondContact CA-O 3.31Å; T133-Y146 HydrophobicContact CG2-CD1 3.51Å; T133-Y146 HydrophobicContact CG2-CE1 3.61Å; T133-Y146 HydrophobicContact CG2-CG 4.28Å
134E92.6Very high89.5Confident50 Ų5073.3 Ų73.323%0.23438%0.378CS..EExtended strand (participates in β ladder)trans-134.4149.7173.1-171.8-178.1145.400108.9H39 R43 T144 V145 F147H39-E134 IonicContact CE1-OE1 3.87Å; H39-E134 IonicContact CE1-OE2 3.69Å; H39-E134 IonicContact ND1-OE1 3.94Å; R43-E134 IonicContact NE-OE2 3.83Å; E134-T144 WeakPolarHBondContact O-CA 3.46Å; E134-V145 HydrophobicContact CB-CG2 3.92Å; E134-V145 PolarHBondContact N-O 2.93Å; E134-V145 PolarHBondContact O-N 3.41Å; E134-F147 HydrophobicContact CB-CE2 3.68Å; E134-F147 WeakPolarHBondContact OE2-CZ 3.31Å
135T95.3Very high89.8Confident64 Ų6469.7 Ų69.739%0.39336%0.359SS..EExtended strand (participates in β ladder)trans-97.5117176.7-60.90000110.2Q42 P142 I143Q42-T135 PolarHBondContact NE2-O 3.14Å; T135-P142 HydrophobicContact CG2-CB 3.42Å; T135-P142 VanDerWaalsContact CG2-CB 3.42Å; T135-I143 CarbonylContact C-O 3.6Å; T135-I143 WeakPolarHBondContact CA-O 3.31Å
136V95.5Very high90.2Very high0 Ų071.9 Ų71.90%036%0.361CS..EExtended strand (participates in β ladder)trans-96.1124.6172.9179.30000108.9V35 R38 H39 Q42 T138 P142 I143 V145V35-V136 HydrophobicContact CG1-CG1 4.43Å; R38-V136 HydrophobicContact CB-CG1 3.51Å; H39-V136 HydrophobicContact CB-CG1 4.46Å; H39-V136 HydrophobicContact CB-CG2 4.03Å; Q42-V136 VanDerWaalsContact OE1-CA 3.31Å; V136-T138 HydrophobicContact CG1-CG2 4.38Å; V136-P142 CarbonylContact O-C 3.49Å; V136-P142 WeakPolarHBondContact O-CA 3.35Å; V136-I143 HydrophobicContact CB-CG1 3.99Å; V136-I143 PolarHBondContact N-O 3.09Å; V136-I143 PolarHBondContact O-N 3.21Å; V136-V145 HydrophobicContact CB-CG1 4.37Å; V136-V145 HydrophobicContact CG2-CB 4.4Å; V136-V145 HydrophobicContact CG2-CG1 3.68Å; V136-V145 HydrophobicContact CG2-CG2 3.8Å
137H95.4Very high90.5Very high116 Ų11672 Ų7254%0.53736%0.362SS..EExtended strand (participates in β ladder)trans-87.7116179.9-64.881.7000109.7R38R38-H137 WeakPolarHBondContact CD-O 3.34Å; R38-H137 WeakPolarHBondContact CG-O 3.25Å
138T94.8Very high90.5Very high16 Ų1666 Ų6610%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-113.3168.4178.676.40000110.8P30 E34 V35 V136 Y140 G141 I143P30-T138 HydrophobicContact CB-CG2 4.01Å; P30-T138 HydrophobicContact CG-CG2 3.99Å; E34-T138 WeakPolarHBondContact OE1-CA 3.01Å; E34-T138 WeakPolarHBondContact OE1-CB 3.49Å; V35-T138 HydrophobicContact CG2-CG2 4.03Å; V136-T138 HydrophobicContact CG1-CG2 4.38Å; T138-Y140 PolarHBondContact O-N 2.94Å; T138-Y140 VanDerWaalsContact O-N 3.13Å; T138-Y140 PolarHBondContact OG1-N 3.17Å; T138-G141 WeakPolarHBondContact CB-O 3.11Å; T138-G141 PolarHBondContact N-O 3.26Å; T138-G141 VanDerWaalsContact N-O 3.1Å; T138-G141 PolarHBondContact O-N 3.29Å; T138-G141 VanDerWaalsContact O-N 3.08Å; T138-G141 PolarHBondContact OG1-N 3Å; T138-G141 PolarHBondContact OG1-O 3.05Å; T138-I143 HydrophobicContact CG2-CD1 4.46Å; T138-I143 HydrophobicContact CG2-CG1 4.07Å; T138-I143 HydrophobicContact CG2-CG2 4.45Å
139S93.2Very high90.4Very high85 Ų8565.7 Ų65.759%0.59434%0.341SS*.THydrogen-bonded Turntrans-63.1-15.5172.858.70000113.3E34E34-S139 PolarHBondContact OE1-N 3.17Å; E34-S139 PolarHBondContact OE1-OG 3Å; E34-S139 VanDerWaalsContact OE1-OG 3.08Å; E34-S139 PolarHBondContact OE2-OG 3.44Å
140Y91.3Very high90.1Very high123 Ų12368.1 Ų68.148%0.48235%0.351SS..THydrogen-bonded Turntrans-100.26.3178.6-64.4-82.7000113P28 P30 T138P28-Y140 HydrophobicContact CB-CD1 3.78Å; P28-Y140 HydrophobicContact CB-CE1 3.54Å; P28-Y140 HydrophobicContact CG-CD1 3.78Å; P28-Y140 HydrophobicContact CG-CE1 3.77Å; P28-Y140 WeakPolarHBondContact O-CD1 3.27Å; P30-Y140 HydrophobicContact CB-CD2 3.79Å; P30-Y140 HydrophobicContact CB-CG 4.46Å; T138-Y140 PolarHBondContact O-N 2.94Å; T138-Y140 VanDerWaalsContact O-N 3.13Å; T138-Y140 PolarHBondContact OG1-N 3.17Å
141G90.9Very high90.1Very high25 Ų2568.2 Ų68.226%0.25835%0.348SS..EExtended strand (participates in β ladder)trans109.8177.2-177.600000113.4T138T138-G141 WeakPolarHBondContact CB-O 3.11Å; T138-G141 PolarHBondContact N-O 3.26Å; T138-G141 VanDerWaalsContact N-O 3.1Å; T138-G141 PolarHBondContact O-N 3.29Å; T138-G141 VanDerWaalsContact O-N 3.08Å; T138-G141 PolarHBondContact OG1-N 3Å; T138-G141 PolarHBondContact OG1-O 3.05Å
142P93.7Very high89.9Confident92 Ų9263.8 Ų63.860%0.59734%0.34SS*.EExtended strand (participates in β ladder)trans-68.1139.717728-33.1000110.8T135 V136T135-P142 HydrophobicContact CG2-CB 3.42Å; T135-P142 VanDerWaalsContact CG2-CB 3.42Å; V136-P142 CarbonylContact O-C 3.49Å; V136-P142 WeakPolarHBondContact O-CA 3.35Å
143I93.4Very high88.8Confident19 Ų1969.4 Ų69.410%0.09736%0.363CS..EExtended strand (participates in β ladder)trans-125.9151.8170.566.9152.4000110.3P30 V35 V53 V58 T135 V136 T138 V145P30-I143 HydrophobicContact CG-CG2 4.09Å; V35-I143 HydrophobicContact CB-CD1 3.97Å; V35-I143 HydrophobicContact CG1-CD1 3.54Å; V35-I143 HydrophobicContact CG2-CD1 3.19Å; V35-I143 HydrophobicContact CG2-CG1 4.25Å; V53-I143 HydrophobicContact CG1-CD1 4.4Å; V58-I143 HydrophobicContact CG1-CD1 4.23Å; T135-I143 CarbonylContact C-O 3.6Å; T135-I143 WeakPolarHBondContact CA-O 3.31Å; V136-I143 HydrophobicContact CB-CG1 3.99Å; V136-I143 PolarHBondContact N-O 3.09Å; V136-I143 PolarHBondContact O-N 3.21Å; T138-I143 HydrophobicContact CG2-CD1 4.46Å; T138-I143 HydrophobicContact CG2-CG1 4.07Å; T138-I143 HydrophobicContact CG2-CG2 4.45Å; I143-V145 HydrophobicContact CD1-CG1 4.32Å
144T94.2Very high87.5Confident56 Ų5668.3 Ų68.334%0.34437%0.367SS..EExtended strand (participates in β ladder)trans-93.8125.3176.9-51.40000110.3P54 T133 E134 Y146P54-T144 WeakPolarHBondContact CD-O 3.42Å; T133-T144 HydrophobicContact CG2-CG2 3.92Å; E134-T144 WeakPolarHBondContact O-CA 3.46Å; T144-Y146 HydrophobicContact CG2-CE1 4.47Å; T144-Y146 HydrophobicContact CG2-CE2 4.02Å
145V94.6Very high86.1Confident0 Ų067 Ų670%037%0.365CS..EExtended strand (participates in β ladder)trans-105.7155.8166.7-56.50000109.8V35 F51 C52 V53 T133 E134 V136 I143 F147V35-V145 HydrophobicContact CG1-CG1 4.06Å; F51-V145 HydrophobicContact CD2-CB 4.09Å; F51-V145 HydrophobicContact CD2-CG1 4.13Å; F51-V145 HydrophobicContact CD2-CG2 4.47Å; C52-V145 WeakPolarHBondContact O-CA 3.38Å; V53-V145 HydrophobicContact CG2-CG1 4.05Å; T133-V145 CarbonylContact C-O 3.59Å; T133-V145 VanDerWaalsContact CA-O 3.25Å; T133-V145 WeakPolarHBondContact CA-O 3.31Å; E134-V145 HydrophobicContact CB-CG2 3.92Å; E134-V145 PolarHBondContact N-O 2.93Å; E134-V145 PolarHBondContact O-N 3.41Å; V136-V145 HydrophobicContact CB-CG1 4.37Å; V136-V145 HydrophobicContact CG2-CB 4.4Å; V136-V145 HydrophobicContact CG2-CG1 3.68Å; V136-V145 HydrophobicContact CG2-CG2 3.8Å; I143-V145 HydrophobicContact CD1-CG1 4.32Å; V145-F147 HydrophobicContact CG2-CE2 4.04Å
146Y93.6Very high84.6Confident68 Ų6869.9 Ų69.927%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-122.2142.2-171.6-62.7-100.3000110.7F51 C52 P54 F87 A130 V132 T133 T144F51-Y146 CarbonylContact C-O 3.13Å; F51-Y146 WeakPolarHBondContact CA-O 3.45Å; C52-Y146 WeakPolarHBondContact CB-O 3.46Å; C52-Y146 PolarHBondContact N-O 3.12Å; C52-Y146 PolarHBondContact O-N 2.83Å; P54-Y146 HydrophobicContact CG-CD2 3.93Å; P54-Y146 HydrophobicContact CG-CE2 3.44Å; P54-Y146 VanDerWaalsContact CG-CE2 3.44Å; F87-Y146 HydrophobicContact CD1-CD2 4.45Å; F87-Y146 AromaticContact CE1-CD2 3.92Å; F87-Y146 HydrophobicContact CE1-CD2 3.92Å; F87-Y146 HydrophobicContact CE1-CE2 4.21Å; F87-Y146 HydrophobicContact CE1-CG 4.31Å; A130-Y146 HydrophobicContact CB-CD1 4.12Å; A130-Y146 HydrophobicContact CB-CG 4.38Å; V132-Y146 CarbonylContact O-C 3.28Å; V132-Y146 WeakPolarHBondContact O-CA 3.28Å; T133-Y146 HydrophobicContact CG2-CD1 3.51Å; T133-Y146 HydrophobicContact CG2-CE1 3.61Å; T133-Y146 HydrophobicContact CG2-CG 4.28Å; T144-Y146 HydrophobicContact CG2-CE1 4.47Å; T144-Y146 HydrophobicContact CG2-CE2 4.02Å
147F90.8Very high82.6Confident4 Ų481.8 Ų81.82%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-118141.4173.2-60.2-101.9000109.7H39 S50 F51 V132 E134 V145 N149 E151H39-F147 AromaticContact CE1-CZ 3.59Å; H39-F147 AromaticContact NE2-CZ 3.96Å; S50-F147 WeakPolarHBondContact O-CD1 3.15Å; F51-F147 HydrophobicContact CB-CD1 4Å; F51-F147 HydrophobicContact CB-CE1 3.72Å; F51-F147 HydrophobicContact CB-CE2 4.4Å; F51-F147 HydrophobicContact CB-CG 4.49Å; F51-F147 HydrophobicContact CB-CZ 3.97Å; V132-F147 HydrophobicContact CB-CB 4.04Å; V132-F147 HydrophobicContact CG1-CB 4.21Å; V132-F147 HydrophobicContact CG1-CD2 4.2Å; V132-F147 PolarHBondContact N-O 2.88Å; V132-F147 PolarHBondContact O-N 3.44Å; E134-F147 HydrophobicContact CB-CE2 3.68Å; E134-F147 WeakPolarHBondContact OE2-CZ 3.31Å; V145-F147 HydrophobicContact CG2-CE2 4.04Å; F147-N149 VanDerWaalsContact CB-O 3.31Å; F147-N149 WeakPolarHBondContact CB-O 3.41Å; F147-E151 HydrophobicContact CD1-CG 3.98Å; F147-E151 WeakPolarHBondContact CD1-OE1 3.27Å; F147-E151 HydrophobicContact CE1-CG 4.25Å; F147-E151 WeakPolarHBondContact CE1-OE2 3.17Å
148L84.2Confident81.9Confident38 Ų3880.1 Ų80.120%0.19942%0.417CS..SBendtrans-71.4-38.7174.3-83.172.1000110.4Y122Y122-L148 HydrophobicContact CE2-CD2 4.49Å
149N81.3Confident81.2Confident127 Ų12783.4 Ų83.468%0.67943%0.433SS*.SBendtrans-128.6153.1178.5-65.2-41.7000109.4F147 E151F147-N149 VanDerWaalsContact CB-O 3.31Å; F147-N149 WeakPolarHBondContact CB-O 3.41Å; N149-E151 PolarHBondContact O-N 3.47Å
150K78.1Confident80.6Confident181 Ų18183.3 Ų83.379%0.78742%0.424SS*.PPolyproline II helixtrans-66.3119.5170.4-171.6176.9178.5-177.80108.4V132V132-K150 HydrophobicContact CG2-CB 4.13Å
151E80.3Confident79.9Confident22 Ų2281 Ų8110%0.10342%0.421CS..PPolyproline II helixtrans-82.4142.2174.1-64.6-176.417600109.8R43 W48 T49 S50 F147 N149R43-E151 IonicContact CZ-OE2 3.37Å; R43-E151 IonicContact NH1-OE2 3.12Å; R43-E151 PolarHBondContact NH1-OE2 2.92Å; W48-E151 HydrophobicContact CH2-CG 3.98Å; W48-E151 HydrophobicContact CZ3-CG 4.3Å; W48-E151 WeakPolarHBondContact CZ3-OE1 3.39Å; T49-E151 WeakPolarHBondContact CA-OE2 3.36Å; T49-E151 WeakPolarHBondContact CB-OE2 3.22Å; T49-E151 PolarHBondContact OG1-OE2 2.85Å; S50-E151 VanDerWaalsContact CA-OE1 3.27Å; S50-E151 WeakPolarHBondContact CA-OE1 3.48Å; S50-E151 VanDerWaalsContact CB-OE1 3.32Å; S50-E151 WeakPolarHBondContact CB-OE1 3.23Å; S50-E151 PolarHBondContact N-OE1 3.38Å; F147-E151 HydrophobicContact CD1-CG 3.98Å; F147-E151 WeakPolarHBondContact CD1-OE1 3.27Å; F147-E151 HydrophobicContact CE1-CG 4.25Å; F147-E151 WeakPolarHBondContact CE1-OE2 3.17Å; N149-E151 PolarHBondContact O-N 3.47Å
152D75.6Confident79.3Confident121 Ų12184.5 Ų84.565%0.64743%0.431SS*.PPolyproline II helixtrans-82.1125.4167.9-173.5-17.5000108.5G154 A155D152-G154 PolarHBondContact O-N 2.65Å; D152-G154 PolarHBondContact OD1-N 2.97Å; D152-A155 HydrophobicContact CB-CB 4.14Å; D152-A155 PolarHBondContact O-N 3.44Å
153E64.9Low78.3Confident170 Ų17084 Ų8479%0.79442%0.42SS*.THydrogen-bonded Turntrans-64.7-9.1-175.4-72.5177.8-170.600113.5
154G63.6Low77.2Confident57 Ų5788.6 Ų88.659%0.58844%0.443SS*.THydrogen-bonded Turntrans-117.98.1175.600000115.8D152 M156D152-G154 PolarHBondContact O-N 2.65Å; D152-G154 PolarHBondContact OD1-N 2.97Å; G154-M156 PolarHBondContact O-N 2.89Å
155A63.4Low75.9Confident23 Ų2391.2 Ų91.219%0.1945%0.451CS..  trans-64.6124.7-175.400000112.3W48 D152W48-A155 VanDerWaalsContact CD1-O 3.31Å; W48-A155 HydrophobicContact CZ2-CB 4.49Å; D152-A155 HydrophobicContact CB-CB 4.14Å; D152-A155 PolarHBondContact O-N 3.44Å
156M62.9Low74.4Confident124 Ų12498.8 Ų98.861%0.61149%0.489SS*.  trans-89.5-11.7174.5-64.9-68.6-77.300112.3H47 G154H47-M156 HydrophobicContact CB-SD 4.22Å; H47-M156 PolarHBondContact CE1-O 3.33Å; H47-M156 VanDerWaalsContact CE1-O 3.24Å; H47-M156 PolarHBondContact ND1-O 2.97Å; H47-M156 VanDerWaalsContact ND1-O 3.08Å; G154-M156 PolarHBondContact O-N 2.89Å
157Y53.7Low72.6Confident250 Ų250101.5 Ų101.598%0.9851%0.509SS*.  trans-141.70-179.143.2-98.9000111.4W48W48-Y157 PolarHBondContact NE1-O 3.12Å

Retrieved 157 of 157 residues in 447.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).